#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmj s THR 6 N 0.00 4.96 -0.28 0.44 -1.32 -1.26 -2.97 115.64 115.21 3hmj s THR 6 Ca 0.00 0.89 0.01 0.00 -1.21 0.00 0.00 61.69 61.38 3hmj s THR 6 Cb 0.00 -3.75 0.15 0.00 -1.51 0.00 0.00 72.50 67.39 3hmj s THR 6 CO 0.00 0.54 0.38 0.00 -2.21 0.00 0.00 174.62 173.33 3hmj s ARG 7 N -1.18 0.38 0.49 7.08 1.70 -0.68 -4.88 118.95 121.87 3hmj s ARG 7 Ca 0.26 0.13 -0.20 0.00 -0.47 0.00 0.00 55.73 55.45 3hmj s ARG 7 Cb -0.17 -0.42 -0.12 0.00 -0.57 0.00 0.00 34.95 33.68 3hmj s ARG 7 CO 0.15 -0.97 0.40 -2.30 -1.08 0.00 0.00 175.30 171.50 3hmj n PRO 8 N 5.35 0.42 -3.67 3.89 -0.02 -1.26 -3.32 135.00 136.39 3hmj n PRO 8 Ca -0.01 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.55 3hmj n PRO 8 Cb 0.49 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.41 3hmj n PRO 8 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hmj s LEU 9 N 2.06 -0.52 -0.19 2.45 0.20 -0.65 -4.88 118.68 117.14 3hmj s LEU 9 Ca 0.64 1.19 -0.06 0.00 0.69 0.00 0.00 54.13 56.59 3hmj s LEU 9 Cb -0.52 1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 47.03 3hmj s LEU 9 CO 0.58 -0.22 0.03 0.42 -0.29 0.00 0.00 176.35 176.87 3hmj s THR 10 N 1.61 4.33 -0.26 3.68 -4.23 -1.26 0.12 115.64 119.63 3hmj s THR 10 Ca -0.09 -0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.02 3hmj s THR 10 Cb -0.07 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 3hmj s THR 10 CO -0.16 0.44 0.63 -0.76 -0.54 0.00 0.00 174.62 174.23 3hmj s LEU 11 N 0.67 4.07 -0.03 4.79 1.43 -0.67 -4.95 118.68 123.99 3hmj s LEU 11 Ca 0.01 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 3hmj s LEU 11 Cb -0.14 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 3hmj s LEU 11 CO 0.02 -0.38 -0.15 -0.55 0.23 0.00 0.00 176.35 175.52 3hmj s SER 12 N 1.49 1.89 -0.29 2.29 0.15 -1.26 -1.24 113.70 116.73 3hmj s SER 12 Ca 0.26 -0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.47 3hmj s SER 12 Cb -0.15 -0.43 0.12 0.00 -1.71 0.00 0.00 66.02 63.84 3hmj s SER 12 CO 0.09 0.15 0.75 -2.28 1.20 0.00 0.00 173.24 173.14 3hmj s HIS 13 N -0.05 -1.07 0.00 3.44 5.04 -0.61 -4.95 115.29 117.09 3hmj s HIS 13 Ca -0.01 1.97 0.00 0.00 -1.54 0.00 0.00 55.06 55.48 3hmj s HIS 13 Cb -0.09 0.64 0.00 0.00 0.04 0.00 0.00 32.58 33.16 3hmj s HIS 13 CO 0.01 -0.53 0.00 0.41 -2.34 0.00 0.00 174.74 172.29 3hmj n GLY 14 N 4.76 3.72 1.61 1.59 0.00 -1.26 -0.05 105.19 115.56 3hmj n GLY 14 Ca -0.15 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.92 3hmj n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmj n SER 15 N 5.72 4.78 -4.29 1.61 3.41 -1.26 -4.89 113.62 118.70 3hmj n SER 15 Ca 0.00 -2.69 -0.37 0.00 -0.26 0.00 0.00 58.87 55.55 3hmj n SER 15 Cb 0.00 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 63.19 3hmj n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hmj s LEU 16 N -2.16 3.82 0.18 1.04 1.43 0.93 -5.09 118.68 118.83 3hmj s LEU 16 Ca 0.45 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3hmj s LEU 16 Cb 0.33 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3hmj s LEU 16 CO 0.15 -0.21 0.08 -1.61 0.23 0.00 0.00 176.35 174.98 3hmj s GLU 17 N 1.42 2.67 -0.25 1.70 2.02 -1.26 -1.57 118.70 123.43 3hmj s GLU 17 Ca 0.01 -1.01 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 3hmj s GLU 17 Cb -0.18 -2.50 0.11 0.00 0.10 0.00 0.00 34.13 31.67 3hmj s GLU 17 CO 0.01 0.46 0.25 -1.58 0.02 0.00 0.00 175.26 174.42 3hmj s HIS 18 N -1.80 -0.34 0.17 1.61 2.46 -0.37 -4.78 115.29 112.24 3hmj s HIS 18 Ca 0.30 0.02 -0.30 0.00 0.47 0.00 0.00 55.06 55.54 3hmj s HIS 18 Cb -0.09 -0.42 -0.08 0.00 -0.13 0.00 0.00 32.58 31.86 3hmj s HIS 18 CO 0.21 -0.76 1.22 0.08 -2.47 0.00 0.00 174.74 173.02 3hmj s VAL 19 N 2.34 3.58 -0.26 0.89 1.01 -1.26 -1.67 120.40 125.03 3hmj s VAL 19 Ca 0.08 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3hmj s VAL 19 Cb -0.15 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.48 3hmj s VAL 19 CO -0.23 0.19 -0.02 -0.22 0.00 0.00 0.00 175.10 174.82 3hmj s LEU 20 N 0.01 2.78 0.01 3.92 2.96 0.32 -4.96 118.68 123.72 3hmj s LEU 20 Ca 0.55 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 3hmj s LEU 20 Cb -0.33 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 3hmj s LEU 20 CO 0.35 -0.28 1.36 -0.76 -1.32 0.00 0.00 176.35 175.70 3hmj s LEU 21 N 1.37 4.32 -0.08 -0.68 1.43 -1.26 -1.64 118.68 122.14 3hmj s LEU 21 Ca -0.01 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 3hmj s LEU 21 Cb -0.19 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 3hmj s LEU 21 CO -0.09 -0.68 -0.23 -0.69 0.23 0.00 0.00 176.35 174.89 3hmj s VAL 22 N 2.17 2.24 1.10 -1.59 1.01 -1.21 -4.87 120.40 119.24 3hmj s VAL 22 Ca 0.63 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3hmj s VAL 22 Cb -0.31 -1.84 0.25 0.00 0.00 0.00 0.00 36.38 34.47 3hmj s VAL 22 CO 0.26 0.56 1.05 -2.84 0.00 0.00 0.00 175.10 174.14 3hmj s PRO 23 N 0.03 -0.39 0.00 2.72 0.02 -1.26 -1.69 135.00 134.43 3hmj s PRO 23 Ca -0.09 0.86 0.00 0.00 0.02 0.00 0.00 61.00 61.79 3hmj s PRO 23 Cb -0.15 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.75 3hmj s PRO 23 CO 0.06 -3.37 0.52 2.41 -0.33 0.00 0.00 177.00 176.28 3hmj n THR 24 N -4.67 0.00 -0.52 0.99 -1.04 -1.16 -2.88 114.28 104.99 3hmj n THR 24 Ca 0.04 0.98 -0.18 0.00 -2.04 0.00 0.00 64.05 62.86 3hmj n THR 24 Cb 0.55 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 67.14 3hmj n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hmj n ALA 25 N -1.70 3.24 0.00 2.41 0.00 -1.26 -2.81 120.51 120.38 3hmj n ALA 25 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 3hmj n ALA 25 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.53 3hmj n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hmj n SER 26 N 4.93 0.00 0.32 0.00 2.88 -1.25 -4.96 113.62 115.54 3hmj n SER 26 Ca 0.31 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.01 3hmj n SER 26 Cb 0.12 0.22 0.85 0.00 -0.75 0.00 0.00 64.21 64.66 3hmj n SER 26 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3hmj h PHE 27 N 0.00 0.00 0.00 0.66 3.57 -1.38 0.89 116.94 120.68 3hmj h PHE 27 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hmj h PHE 27 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3hmj h PHE 27 CO 0.00 0.00 0.00 0.34 -2.23 0.00 0.00 178.31 176.42 3hmj n PHE 28 N -2.83 0.00 -0.04 0.41 7.35 -1.26 -1.70 117.46 119.38 3hmj n PHE 28 Ca -0.02 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.79 3hmj n PHE 28 Cb 0.31 -0.39 0.54 0.00 0.35 0.00 0.00 39.48 40.28 3hmj n PHE 28 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3hmj h ILE 29 N 0.00 0.89 -0.03 -2.13 2.04 -1.66 -1.67 117.51 114.95 3hmj h ILE 29 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hmj h ILE 29 Cb 0.00 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3hmj h ILE 29 CO 0.00 0.06 0.01 0.00 0.00 0.00 0.00 178.15 178.22 3hmj h ALA 30 N 1.73 0.03 -0.66 1.87 0.00 -0.93 -1.94 119.26 119.36 3hmj h ALA 30 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3hmj h ALA 30 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3hmj h ALA 30 CO -0.06 -0.48 0.14 0.77 0.00 0.00 0.00 179.25 179.62 3hmj h SER 31 N 0.02 1.01 -0.17 0.00 0.02 -0.43 -0.65 113.55 113.35 3hmj h SER 31 Ca 0.01 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3hmj h SER 31 Cb 0.01 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 3hmj h SER 31 CO -0.02 0.98 -0.18 -0.61 -1.14 0.00 0.00 176.83 175.87 3hmj h GLN 32 N 1.01 -0.20 -0.43 3.45 4.15 -1.21 -0.11 115.11 121.78 3hmj h GLN 32 Ca 0.21 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.65 3hmj h GLN 32 Cb 0.38 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3hmj h GLN 32 CO 0.01 -0.13 0.27 -0.07 -1.93 0.00 0.00 178.83 176.97 3hmj h LEU 33 N -0.21 0.45 -1.01 -2.39 3.38 -1.13 -2.07 115.31 112.34 3hmj h LEU 33 Ca 0.11 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.22 3hmj h LEU 33 Cb 0.37 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3hmj h LEU 33 CO -0.29 0.33 0.63 -0.61 0.09 0.00 0.00 178.44 178.58 3hmj h GLN 34 N 0.55 0.88 0.30 1.13 4.15 -0.38 0.50 115.11 122.24 3hmj h GLN 34 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3hmj h GLN 34 Cb -0.03 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.46 3hmj h GLN 34 CO -0.05 0.58 -0.14 0.93 -1.93 0.00 0.00 178.83 178.22 3hmj h GLU 35 N 0.91 -0.38 -0.76 1.69 5.08 -0.68 -2.01 114.58 118.42 3hmj h GLU 35 Ca 0.53 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 59.06 3hmj h GLU 35 Cb 0.65 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 3hmj h GLU 35 CO -0.31 -0.05 0.30 1.96 -1.00 0.00 0.00 179.01 179.91 3hmj h GLN 36 N -0.92 0.42 -0.50 2.33 4.20 -1.06 -0.83 115.11 118.75 3hmj h GLN 36 Ca -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hmj h GLN 36 Cb 0.51 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3hmj h GLN 36 CO 0.07 0.28 0.33 0.35 -0.67 0.00 0.00 178.83 179.19 3hmj h PHE 37 N 0.44 0.62 -0.39 2.96 3.57 -0.95 -2.61 116.94 120.58 3hmj h PHE 37 Ca 0.42 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.01 3hmj h PHE 37 Cb 0.65 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3hmj h PHE 37 CO -0.17 0.39 0.26 -0.91 -2.23 0.00 0.00 178.31 175.66 3hmj h ASN 38 N 0.67 0.20 -0.10 0.41 4.21 -0.38 -2.27 115.58 118.32 3hmj h ASN 38 Ca 0.18 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 3hmj h ASN 38 Cb -0.07 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 3hmj h ASN 38 CO -0.04 0.13 -0.00 0.11 -1.29 0.00 0.00 177.43 176.33 3hmj h LYS 39 N 0.22 0.18 0.00 0.81 1.57 -1.04 -3.20 116.57 115.12 3hmj h LYS 39 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3hmj h LYS 39 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hmj h LYS 39 CO -0.03 0.44 -0.26 0.82 -0.57 0.00 0.00 179.45 179.86 3hmj h ILE 40 N -0.10 1.17 -2.04 1.86 2.04 -1.34 -3.43 117.51 115.66 3hmj h ILE 40 Ca 0.03 -0.89 -0.59 0.00 1.00 0.00 0.00 64.86 64.41 3hmj h ILE 40 Cb 0.37 1.48 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3hmj h ILE 40 CO 0.01 0.25 1.21 0.18 0.00 0.00 0.00 178.15 179.79 3hmj n LEU 41 N -4.21 3.53 -4.73 1.44 4.77 -1.11 -4.95 117.00 111.74 3hmj n LEU 41 Ca -0.02 0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 56.38 3hmj n LEU 41 Cb 0.31 -1.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 3hmj n LEU 41 CO 0.37 -0.10 0.97 -2.65 -1.33 0.00 0.00 177.39 174.65 3hmj n PRO 42 N 7.25 1.96 -1.66 3.23 -0.02 -1.26 -4.92 135.00 139.59 3hmj n PRO 42 Ca 0.24 0.70 -0.46 0.00 -2.02 0.00 0.00 63.50 61.96 3hmj n PRO 42 Cb 0.34 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 3hmj n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hmj n GLU 43 N -0.33 1.94 -1.64 -0.52 1.02 -1.26 -4.93 120.64 114.91 3hmj n GLU 43 Ca 0.07 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.51 3hmj n GLU 43 Cb 0.42 -2.39 0.03 0.00 -0.02 0.00 0.00 31.44 29.48 3hmj n GLU 43 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3hmj n PRO 44 N 2.68 1.29 -3.47 3.49 -0.02 -1.26 -5.03 135.00 132.68 3hmj n PRO 44 Ca 0.15 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 3hmj n PRO 44 Cb 0.29 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3hmj n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hmj s THR 45 N -1.37 -0.86 -0.96 3.45 2.01 -1.26 -4.97 115.64 111.68 3hmj s THR 45 Ca 0.69 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 3hmj s THR 45 Cb -0.47 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3hmj s THR 45 CO 0.52 0.00 0.70 -0.62 -0.69 0.00 0.00 174.62 174.53 3hmj n GLU 46 N 5.35 -1.23 -3.23 4.92 1.02 -1.26 -1.74 120.64 124.47 3hmj n GLU 46 Ca -0.09 0.72 -0.18 0.00 -0.02 0.00 0.00 57.16 57.59 3hmj n GLU 46 Cb 0.50 -3.58 0.05 0.00 -0.02 0.00 0.00 31.44 28.39 3hmj n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hmj n GLY 47 N -1.74 -0.21 2.67 0.62 0.00 -1.26 -3.30 105.19 101.98 3hmj n GLY 47 Ca -0.16 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3hmj n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hmj n PHE 48 N -4.39 -1.63 1.30 1.61 3.01 -0.71 -4.79 117.46 111.86 3hmj n PHE 48 Ca -0.01 0.10 0.01 0.00 1.01 0.00 0.00 57.45 58.56 3hmj n PHE 48 Cb 0.56 -2.34 0.05 0.00 -0.01 0.00 0.00 39.48 37.74 3hmj n PHE 48 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hmj n ALA 49 N -2.58 2.57 -1.27 4.37 0.00 -0.92 -4.54 120.51 118.15 3hmj n ALA 49 Ca -0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 3hmj n ALA 49 Cb 0.57 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.07 3hmj n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj n ALA 50 N -0.09 -0.45 -0.02 0.00 0.00 -1.26 -5.02 120.51 113.66 3hmj n ALA 50 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 3hmj n ALA 50 Cb 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 3hmj n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hmj n ASP 51 N -3.25 0.62 0.05 0.00 -0.08 -1.26 -3.98 116.55 108.64 3hmj n ASP 51 Ca 0.05 0.29 -0.08 0.00 -1.51 0.00 0.00 54.79 53.53 3hmj n ASP 51 Cb 0.17 0.38 -0.13 0.00 2.34 0.00 0.00 41.12 43.89 3hmj n ASP 51 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 3hmj h ASP 52 N 0.00 0.03 -3.02 1.67 1.82 -1.95 -3.48 116.42 111.49 3hmj h ASP 52 Ca -0.28 -0.04 -0.54 0.00 -0.39 0.00 0.00 57.03 55.78 3hmj h ASP 52 Cb 1.84 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.83 3hmj h ASP 52 CO 0.05 1.03 0.73 -1.61 -1.61 0.00 0.00 179.24 177.83 3hmj s GLU 53 N -2.68 4.34 0.25 0.28 2.02 -1.26 -4.96 118.70 116.68 3hmj s GLU 53 Ca -0.01 1.84 -0.31 0.00 0.02 0.00 0.00 54.97 56.52 3hmj s GLU 53 Cb 0.09 -3.50 -0.13 0.00 0.10 0.00 0.00 34.13 30.70 3hmj s GLU 53 CO 0.82 -0.46 1.55 -2.30 0.02 0.00 0.00 175.26 174.89 3hmj n PRO 54 N 4.94 2.44 0.11 0.39 -0.02 -1.26 -4.70 135.00 136.89 3hmj n PRO 54 Ca 0.11 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.29 3hmj n PRO 54 Cb 0.45 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.18 3hmj n PRO 54 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hmj h THR 55 N 3.35 1.44 -3.98 3.45 2.02 -1.91 -3.45 112.91 113.84 3hmj h THR 55 Ca -0.46 -2.89 -0.19 0.00 0.77 0.00 0.00 66.41 63.64 3hmj h THR 55 Cb 1.24 2.88 -0.16 0.00 -1.74 0.00 0.00 68.15 70.37 3hmj h THR 55 CO 0.82 0.85 -0.69 0.28 0.37 0.00 0.00 175.52 177.15 3hmj s THR 56 N -2.75 0.49 0.29 3.16 -1.32 -1.26 -4.96 115.64 109.30 3hmj s THR 56 Ca -0.05 -1.77 -0.01 0.00 -1.21 0.00 0.00 61.69 58.65 3hmj s THR 56 Cb 0.07 -1.47 0.38 0.00 -1.51 0.00 0.00 72.50 69.97 3hmj s THR 56 CO 0.89 -0.86 1.59 -0.65 -2.21 0.00 0.00 174.62 173.39 3hmj h PRO 57 N 3.24 0.04 0.06 7.08 0.11 -1.93 -0.09 132.00 140.51 3hmj h PRO 57 Ca -0.35 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.78 3hmj h PRO 57 Cb 1.16 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hmj h PRO 57 CO 0.62 0.03 -0.18 0.00 -0.21 0.00 0.00 178.00 178.26 3hmj h ALA 58 N 1.91 -0.27 -0.48 -0.75 0.00 -1.96 -1.28 119.26 116.44 3hmj h ALA 58 Ca 0.55 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.46 3hmj h ALA 58 Cb 1.08 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3hmj h ALA 58 CO -0.86 -0.69 0.29 0.93 0.00 0.00 0.00 179.25 178.92 3hmj h GLU 59 N -0.32 0.56 -0.50 0.00 5.08 -1.60 -1.61 114.58 116.19 3hmj h GLU 59 Ca 0.04 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3hmj h GLU 59 Cb 0.36 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3hmj h GLU 59 CO -0.12 0.37 0.19 1.25 -1.00 0.00 0.00 179.01 179.70 3hmj h LEU 60 N 0.58 0.20 -0.79 1.33 6.46 -0.85 0.29 115.31 122.54 3hmj h LEU 60 Ca 0.19 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3hmj h LEU 60 Cb 0.01 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3hmj h LEU 60 CO -0.08 0.14 0.43 0.58 -0.62 0.00 0.00 178.44 178.89 3hmj h VAL 61 N 0.37 1.24 -0.89 1.05 2.07 -0.79 -0.17 116.25 119.13 3hmj h VAL 61 Ca 0.24 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3hmj h VAL 61 Cb 0.25 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 3hmj h VAL 61 CO -0.24 0.26 0.56 1.23 0.02 0.00 0.00 177.57 179.41 3hmj h GLY 62 N 1.09 1.31 0.33 2.17 0.00 -0.38 0.49 103.07 108.08 3hmj h GLY 62 Ca 0.28 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3hmj h GLY 62 CO -0.04 0.33 -0.26 0.50 0.00 0.00 0.00 176.54 177.06 3hmj h LYS 63 N 1.07 -0.56 -0.63 4.80 1.79 0.75 0.93 116.57 124.73 3hmj h LYS 63 Ca 0.37 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.97 3hmj h LYS 63 Cb 0.08 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 3hmj h LYS 63 CO -0.14 -0.37 0.42 0.35 -1.08 0.00 0.00 179.45 178.62 3hmj h PHE 64 N -0.58 0.49 -0.75 -1.35 3.57 -0.96 0.13 116.94 117.50 3hmj h PHE 64 Ca -0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3hmj h PHE 64 Cb 0.48 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3hmj h PHE 64 CO -0.10 0.24 0.34 1.25 -2.23 0.00 0.00 178.31 177.80 3hmj h LEU 65 N 0.47 0.99 -0.08 0.59 6.46 0.34 -1.62 115.31 122.46 3hmj h LEU 65 Ca 0.29 -0.13 -0.23 0.00 -0.12 0.00 0.00 57.88 57.69 3hmj h LEU 65 Cb 0.51 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 3hmj h LEU 65 CO -0.08 0.86 -1.04 1.23 -0.62 0.00 0.00 178.44 178.79 3hmj h GLY 66 N 1.12 0.28 0.91 3.75 0.00 0.16 -2.86 103.07 106.45 3hmj h GLY 66 Ca 0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hmj h GLY 66 CO -0.03 0.52 0.08 -1.82 0.00 0.00 0.00 176.54 175.29 3hmj h TYR 67 N 0.11 0.22 -0.57 5.60 3.20 -0.58 -2.08 116.97 122.87 3hmj h TYR 67 Ca -0.08 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3hmj h TYR 67 Cb 1.72 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.89 3hmj h TYR 67 CO 0.05 0.25 0.20 0.28 -1.64 0.00 0.00 178.16 177.29 3hmj h VAL 68 N 0.13 1.21 -0.12 1.81 2.07 -1.38 -2.25 116.25 117.73 3hmj h VAL 68 Ca 0.05 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3hmj h VAL 68 Cb 0.11 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hmj h VAL 68 CO -0.01 0.27 -0.14 0.28 0.02 0.00 0.00 177.57 178.00 3hmj h SER 69 N 0.82 0.17 0.34 0.57 0.02 -1.31 -2.21 113.55 111.94 3hmj h SER 69 Ca 0.19 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hmj h SER 69 Cb 0.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hmj h SER 69 CO -0.01 0.33 0.00 0.77 -1.14 0.00 0.00 176.83 176.78 3hmj h SER 70 N 0.18 0.00 -0.54 3.07 4.64 -0.74 -2.93 113.55 117.23 3hmj h SER 70 Ca 0.04 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.04 3hmj h SER 70 Cb 0.35 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.26 3hmj h SER 70 CO 0.02 0.00 0.02 0.18 -0.87 0.00 0.00 176.83 176.19 3hmj n LEU 71 N -2.44 4.89 -4.15 5.97 4.77 -0.83 -5.00 117.00 120.20 3hmj n LEU 71 Ca -0.00 -3.92 -0.12 0.00 -0.03 0.00 0.00 56.01 51.94 3hmj n LEU 71 Cb 0.13 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 3hmj n LEU 71 CO 0.16 1.35 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.48 3hmj s VAL 72 N -3.54 0.76 0.01 4.08 1.01 -1.11 -4.88 120.40 116.73 3hmj s VAL 72 Ca 0.49 -1.68 0.05 0.00 0.00 0.00 0.00 61.98 60.84 3hmj s VAL 72 Cb 0.43 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3hmj s VAL 72 CO 0.01 -0.67 -0.16 -1.83 0.00 0.00 0.00 175.10 172.45 3hmj s GLU 73 N -3.06 1.23 0.33 2.72 -1.05 -1.26 -5.04 118.70 112.56 3hmj s GLU 73 Ca 0.06 -0.67 0.15 0.00 -0.15 0.00 0.00 54.97 54.35 3hmj s GLU 73 Cb -0.00 -1.22 0.52 0.00 -0.44 0.00 0.00 34.13 32.99 3hmj s GLU 73 CO -0.02 0.32 1.68 -1.35 0.95 0.00 0.00 175.26 176.84 3hmj h PRO 74 N 5.43 0.00 0.05 -4.83 0.11 -1.94 -3.37 132.00 127.46 3hmj h PRO 74 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hmj h PRO 74 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hmj h PRO 74 CO 0.47 0.49 -0.03 1.03 -0.21 0.00 0.00 178.00 179.75 3hmj h SER 75 N 0.00 -0.06 -2.74 -2.05 0.87 -1.96 -3.46 113.55 104.15 3hmj h SER 75 Ca -0.00 -0.57 -0.54 0.00 -1.23 0.00 0.00 61.79 59.45 3hmj h SER 75 Cb 0.99 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 3hmj h SER 75 CO 0.06 0.66 -0.38 -0.54 -0.53 0.00 0.00 176.83 176.10 3hmj s LYS 76 N -2.71 3.49 0.07 2.24 1.02 -1.26 -5.08 119.74 117.51 3hmj s LYS 76 Ca -0.13 -0.44 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 3hmj s LYS 76 Cb -0.01 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 3hmj s LYS 76 CO 0.50 0.45 0.75 0.08 -0.92 0.00 0.00 175.35 176.22 3hmj s VAL 77 N -1.82 4.65 0.50 3.17 1.01 -1.26 -4.51 120.40 122.14 3hmj s VAL 77 Ca 0.37 1.62 0.05 0.00 0.00 0.00 0.00 61.98 64.02 3hmj s VAL 77 Cb -0.11 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.22 3hmj s VAL 77 CO 0.29 0.41 0.43 0.61 0.00 0.00 0.00 175.10 176.84 3hmj n GLY 78 N 2.19 2.64 0.35 4.51 0.00 -1.26 -5.04 105.19 108.57 3hmj n GLY 78 Ca -0.04 -2.27 0.11 0.00 0.00 0.00 0.00 46.02 43.82 3hmj n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLN 79 N -1.74 0.86 0.00 1.61 10.64 -1.26 -4.14 117.38 123.35 3hmj n GLN 79 Ca 0.01 -0.70 0.06 0.00 -1.83 0.00 0.00 57.00 54.55 3hmj n GLN 79 Cb 0.56 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.39 3hmj n GLN 79 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hmj n PHE 80 N -0.47 0.00 -0.31 2.61 3.01 -1.26 -4.35 117.46 116.69 3hmj n PHE 80 Ca 0.08 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.81 3hmj n PHE 80 Cb 0.43 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.49 3hmj n PHE 80 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3hmj h ASP 81 N 0.18 0.28 0.76 4.37 5.19 -1.95 0.38 116.42 125.63 3hmj h ASP 81 Ca 0.00 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3hmj h ASP 81 Cb 0.33 0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.86 3hmj h ASP 81 CO 0.00 0.05 -0.37 -0.61 -3.12 0.00 0.00 179.24 175.19 3hmj h GLN 82 N 0.25 -0.98 -0.43 3.56 5.75 -1.85 -2.95 115.11 118.46 3hmj h GLN 82 Ca 0.58 0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 59.03 3hmj h GLN 82 Cb 1.75 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 30.51 3hmj h GLN 82 CO -0.19 -0.65 -0.18 0.28 -2.65 0.00 0.00 178.83 175.44 3hmj h VAL 83 N -1.06 1.28 0.63 2.39 2.07 -1.28 -3.06 116.25 117.22 3hmj h VAL 83 Ca -0.10 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3hmj h VAL 83 Cb 0.79 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3hmj h VAL 83 CO 0.17 0.45 -0.45 0.25 0.02 0.00 0.00 177.57 178.01 3hmj h LEU 84 N 0.70 -1.17 -1.95 2.57 6.46 -0.43 -0.36 115.31 121.13 3hmj h LEU 84 Ca 0.10 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 3hmj h LEU 84 Cb 0.74 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 3hmj h LEU 84 CO 0.06 -0.66 0.43 0.78 -0.62 0.00 0.00 178.44 178.43 3hmj h ASN 85 N -1.03 0.00 0.21 1.25 -0.26 -1.60 0.28 115.58 114.44 3hmj h ASN 85 Ca -0.08 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.34 3hmj h ASN 85 Cb 0.85 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.13 3hmj h ASN 85 CO 0.05 0.00 -1.46 -0.07 -1.06 0.00 0.00 177.43 174.88 3hmj h LEU 86 N 0.00 0.71 -0.79 1.61 3.38 -1.25 -3.06 115.31 115.90 3hmj h LEU 86 Ca 0.14 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 3hmj h LEU 86 Cb 1.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hmj h LEU 86 CO -0.00 1.69 -0.56 0.00 0.09 0.00 0.00 178.44 179.65 3hmj h LEU 88 N 0.09 -1.30 -1.67 0.00 3.38 -1.11 0.25 115.31 114.95 3hmj h LEU 88 Ca -0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hmj h LEU 88 Cb 1.02 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3hmj h LEU 88 CO 0.08 -0.63 0.28 0.74 0.09 0.00 0.00 178.44 179.00 3hmj h THR 89 N -0.95 1.03 0.00 0.22 2.02 -1.42 0.31 112.91 114.11 3hmj h THR 89 Ca -0.06 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.82 3hmj h THR 89 Cb 0.82 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3hmj h THR 89 CO -0.05 0.08 -0.71 -0.08 0.37 0.00 0.00 175.52 175.13 3hmj h GLU 90 N 0.44 0.00 -0.02 6.66 4.81 -1.20 0.79 114.58 126.06 3hmj h GLU 90 Ca 0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3hmj h GLU 90 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hmj h GLU 90 CO -0.04 0.71 -0.10 0.35 -0.73 0.00 0.00 179.01 179.19 3hmj h PHE 91 N 0.00 0.13 0.24 0.92 3.57 0.44 -1.00 116.94 121.24 3hmj h PHE 91 Ca -0.01 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3hmj h PHE 91 Cb 1.52 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 3hmj h PHE 91 CO 0.00 0.77 -0.41 0.93 -2.23 0.00 0.00 178.31 177.38 3hmj h GLU 92 N -0.54 -0.66 0.00 1.11 5.08 -0.49 0.36 114.58 119.44 3hmj h GLU 92 Ca -0.01 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hmj h GLU 92 Cb 0.79 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hmj h GLU 92 CO 0.02 -0.44 -0.15 -0.97 -1.00 0.00 0.00 179.01 176.48 3hmj h ASN 93 N -0.68 0.00 0.08 1.42 -0.73 -0.92 -1.82 115.58 112.92 3hmj h ASN 93 Ca -0.03 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.82 3hmj h ASN 93 Cb 0.64 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.20 3hmj h ASN 93 CO -0.14 0.15 -1.79 0.00 -0.37 0.00 0.00 177.43 175.28 3hmj n TYR 95 N -3.82 0.00 -3.08 0.00 4.02 0.12 -4.87 117.16 109.53 3hmj n TYR 95 Ca -0.33 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.15 3hmj n TYR 95 Cb 0.92 -0.71 -0.06 0.00 -0.02 0.00 0.00 39.34 39.47 3hmj n TYR 95 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hmj s LEU 96 N -5.20 4.06 -0.02 7.72 1.02 -0.69 -4.93 118.68 120.64 3hmj s LEU 96 Ca -0.10 0.74 -0.00 0.00 0.02 0.00 0.00 54.13 54.79 3hmj s LEU 96 Cb 0.05 -2.89 0.01 0.00 0.02 0.00 0.00 46.19 43.38 3hmj s LEU 96 CO 0.56 -0.39 1.71 1.21 0.02 0.00 0.00 176.35 179.47 3hmj n GLU 97 N 5.75 1.04 0.00 1.70 2.13 -1.26 -4.50 120.64 125.50 3hmj n GLU 97 Ca 0.00 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3hmj n GLU 97 Cb 0.49 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 31.16 3hmj n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hmj n GLY 98 N 1.14 3.09 0.49 8.31 0.00 -1.26 -5.05 105.19 111.91 3hmj n GLY 98 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3hmj n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hmj n ASN 99 N 0.17 -0.85 -4.86 1.61 3.02 -1.26 -5.02 115.26 108.06 3hmj n ASN 99 Ca 0.00 -0.71 -0.31 0.00 -0.03 0.00 0.00 54.58 53.53 3hmj n ASN 99 Cb 0.00 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 3hmj n ASN 99 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hmj s ASP 100 N -1.84 6.58 0.35 6.41 2.15 -1.26 -4.94 116.67 124.12 3hmj s ASP 100 Ca 0.10 1.28 0.11 0.00 0.43 0.00 0.00 52.55 54.47 3hmj s ASP 100 Cb -0.01 -2.39 0.89 0.00 -0.30 0.00 0.00 42.92 41.11 3hmj s ASP 100 CO 0.07 -0.43 1.81 0.40 -0.17 0.00 0.00 175.17 176.85 3hmj h ILE 101 N 1.14 0.70 -0.98 4.11 2.04 -1.98 0.13 117.51 122.68 3hmj h ILE 101 Ca -0.47 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.25 3hmj h ILE 101 Cb 1.19 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3hmj h ILE 101 CO 0.63 0.11 0.63 0.45 0.00 0.00 0.00 178.15 179.97 3hmj h HIS 102 N 0.62 1.14 -0.60 1.37 3.86 -1.97 0.22 115.15 119.79 3hmj h HIS 102 Ca 0.53 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.69 3hmj h HIS 102 Cb 1.01 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 3hmj h HIS 102 CO -0.00 0.57 0.08 0.00 0.86 0.00 0.00 177.93 179.43 3hmj h ALA 103 N 1.49 1.00 -0.34 2.45 0.00 -1.09 -2.05 119.26 120.72 3hmj h ALA 103 Ca 0.43 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hmj h ALA 103 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hmj h ALA 103 CO -0.18 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.04 3hmj h LEU 104 N 0.93 0.50 -0.78 0.00 5.85 -0.81 -1.87 115.31 119.13 3hmj h LEU 104 Ca 0.18 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3hmj h LEU 104 Cb 0.43 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3hmj h LEU 104 CO 0.01 0.59 0.52 0.00 -0.34 0.00 0.00 178.44 179.22 3hmj h ALA 105 N 0.93 0.99 -0.25 1.25 0.00 -0.84 0.36 119.26 121.71 3hmj h ALA 105 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hmj h ALA 105 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hmj h ALA 105 CO -0.00 0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.81 3hmj h ALA 106 N 1.29 0.32 -0.37 0.00 0.00 -1.29 0.12 119.26 119.33 3hmj h ALA 106 Ca 0.29 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3hmj h ALA 106 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hmj h ALA 106 CO -0.07 -0.21 0.19 0.87 0.00 0.00 0.00 179.25 180.03 3hmj h LYS 107 N 0.34 0.37 0.00 0.00 1.79 -0.46 0.11 116.57 118.72 3hmj h LYS 107 Ca 0.09 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 3hmj h LYS 107 Cb -0.04 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3hmj h LYS 107 CO -0.02 0.25 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.41 3hmj h LEU 108 N 0.38 0.00 0.16 2.94 3.38 0.09 -0.02 115.31 122.25 3hmj h LEU 108 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hmj h LEU 108 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hmj h LEU 108 CO -0.10 0.12 -0.08 -0.07 0.09 0.00 0.00 178.44 178.39 3hmj h LEU 109 N 0.00 -0.19 0.00 1.67 3.38 0.04 -3.08 115.31 117.14 3hmj h LEU 109 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hmj h LEU 109 Cb 0.22 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hmj h LEU 109 CO 0.02 0.10 0.00 1.67 0.09 0.00 0.00 178.44 180.31 3hmj n GLN 110 N -3.86 0.00 0.00 1.13 -0.06 0.31 -4.01 117.38 110.89 3hmj n GLN 110 Ca -0.03 0.70 0.00 0.00 -2.00 0.00 0.00 57.00 55.67 3hmj n GLN 110 Cb 0.09 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 3hmj n GLN 110 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3hmj n GLU 111 N -2.39 0.00 0.00 3.69 1.02 -0.03 -4.93 120.64 118.00 3hmj n GLU 111 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3hmj n GLU 111 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3hmj n GLU 111 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hmj n ASN 112 N -1.88 0.00 -4.48 1.62 4.13 -1.17 -4.87 115.26 108.61 3hmj n ASN 112 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 3hmj n ASN 112 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 3hmj n ASN 112 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3hmj s ASP 113 N -1.39 6.18 -0.12 6.41 1.01 -1.20 -4.74 116.67 122.81 3hmj s ASP 113 Ca 0.00 -0.82 -0.34 0.00 0.71 0.00 0.00 52.55 52.10 3hmj s ASP 113 Cb 0.00 -2.46 -0.11 0.00 1.01 0.00 0.00 42.92 41.36 3hmj s ASP 113 CO 0.00 -1.54 1.93 0.41 0.21 0.00 0.00 175.17 176.18 3hmj n THR 114 N 6.06 0.54 -3.36 -1.27 -1.04 -1.25 -4.81 114.28 109.15 3hmj n THR 114 Ca -0.02 -0.14 -0.07 0.00 -2.04 0.00 0.00 64.05 61.78 3hmj n THR 114 Cb 0.46 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.00 3hmj n THR 114 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hmj s THR 115 N 4.62 -0.68 0.25 12.58 2.01 -1.26 -5.03 115.64 128.13 3hmj s THR 115 Ca 0.95 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.88 3hmj s THR 115 Cb -0.69 -0.83 0.22 0.00 0.01 0.00 0.00 72.50 71.22 3hmj s THR 115 CO 0.51 -0.08 1.83 -0.07 -0.69 0.00 0.00 174.62 176.12 3hmj h LEU 116 N 8.15 0.77 -0.81 4.42 3.38 -1.97 0.71 115.31 129.97 3hmj h LEU 116 Ca -0.20 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3hmj h LEU 116 Cb 1.15 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3hmj h LEU 116 CO 0.25 0.46 0.34 0.58 0.09 0.00 0.00 178.44 180.16 3hmj h VAL 117 N 0.89 1.26 -0.25 1.22 2.07 -1.99 -1.01 116.25 118.44 3hmj h VAL 117 Ca 0.40 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 3hmj h VAL 117 Cb 0.31 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hmj h VAL 117 CO -0.22 0.33 -0.47 0.11 0.02 0.00 0.00 177.57 177.34 3hmj h LYS 118 N 1.17 0.66 0.47 1.57 1.57 -1.65 -2.23 116.57 118.12 3hmj h LYS 118 Ca 0.27 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3hmj h LYS 118 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hmj h LYS 118 CO -0.02 0.99 -0.35 1.15 -0.57 0.00 0.00 179.45 180.65 3hmj h THR 119 N 0.53 0.29 -0.70 -0.16 2.02 -0.45 -0.82 112.91 113.61 3hmj h THR 119 Ca 0.03 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.36 3hmj h THR 119 Cb 1.02 0.29 -0.12 0.00 -1.74 0.00 0.00 68.15 67.60 3hmj h THR 119 CO 0.10 0.00 0.04 0.11 0.37 0.00 0.00 175.52 176.14 3hmj h LYS 120 N -0.80 0.14 -0.18 6.66 1.57 -1.21 -1.14 116.57 121.60 3hmj h LYS 120 Ca -0.05 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3hmj h LYS 120 Cb 0.68 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 3hmj h LYS 120 CO 0.01 0.09 -0.53 0.93 -0.57 0.00 0.00 179.45 179.38 3hmj h GLU 121 N 0.14 -0.51 -0.73 3.15 5.08 -0.91 0.60 114.58 121.40 3hmj h GLU 121 Ca 0.38 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.90 3hmj h GLU 121 Cb 0.64 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.92 3hmj h GLU 121 CO -0.58 -0.34 0.30 1.25 -1.00 0.00 0.00 179.01 178.64 3hmj h LEU 122 N -0.53 0.29 -0.30 1.33 7.12 -0.22 -0.52 115.31 122.48 3hmj h LEU 122 Ca 0.04 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 3hmj h LEU 122 Cb 0.64 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 3hmj h LEU 122 CO -0.45 0.12 0.07 0.40 -0.13 0.00 0.00 178.44 178.45 3hmj h ILE 123 N 0.46 1.22 -0.33 4.05 2.04 -0.72 -2.02 117.51 122.19 3hmj h ILE 123 Ca 0.40 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.60 3hmj h ILE 123 Cb 0.57 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3hmj h ILE 123 CO -0.38 0.24 -0.10 0.11 0.00 0.00 0.00 178.15 178.01 3hmj h LYS 124 N 0.32 -0.03 0.06 2.37 1.57 0.14 -2.67 116.57 118.32 3hmj h LYS 124 Ca 0.09 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3hmj h LYS 124 Cb 0.29 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3hmj h LYS 124 CO 0.00 -0.02 -0.16 -0.91 -0.57 0.00 0.00 179.45 177.80 3hmj h ASN 125 N -0.03 -0.44 0.16 0.86 2.35 -0.88 -0.94 115.58 116.65 3hmj h ASN 125 Ca 0.16 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3hmj h ASN 125 Cb 0.28 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3hmj h ASN 125 CO -0.36 -0.22 -0.07 0.22 -1.65 0.00 0.00 177.43 175.34 3hmj h TYR 126 N -0.29 -0.19 0.17 1.19 3.20 -1.17 0.18 116.97 120.05 3hmj h TYR 126 Ca 0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hmj h TYR 126 Cb 0.32 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3hmj h TYR 126 CO -0.18 0.07 -0.08 0.82 -1.64 0.00 0.00 178.16 177.15 3hmj h ILE 127 N -0.45 0.84 -0.30 1.81 2.04 -1.52 -1.23 117.51 118.70 3hmj h ILE 127 Ca -0.02 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.87 3hmj h ILE 127 Cb 0.35 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3hmj h ILE 127 CO 0.03 0.01 -0.16 0.74 0.00 0.00 0.00 178.15 178.78 3hmj h THR 128 N -0.25 0.53 0.43 -0.27 2.02 -1.14 -1.48 112.91 112.75 3hmj h THR 128 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hmj h THR 128 Cb 0.19 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hmj h THR 128 CO 0.04 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 175.43 3hmj h ALA 129 N 1.10 -1.09 -0.63 6.16 0.00 -0.50 -2.35 119.26 121.95 3hmj h ALA 129 Ca 0.16 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3hmj h ALA 129 Cb 0.35 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3hmj h ALA 129 CO -0.37 -1.16 0.16 -0.09 0.00 0.00 0.00 179.25 177.79 3hmj h ARG 130 N -0.95 0.28 -0.15 0.00 2.43 -0.91 -0.96 114.38 114.12 3hmj h ARG 130 Ca -0.05 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3hmj h ARG 130 Cb 0.85 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3hmj h ARG 130 CO -0.11 0.19 -0.38 0.82 -1.51 0.00 0.00 179.97 178.98 3hmj h ILE 131 N 0.29 1.30 -0.00 1.20 2.04 -1.14 -2.32 117.51 118.88 3hmj h ILE 131 Ca 0.33 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3hmj h ILE 131 Cb 0.50 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3hmj h ILE 131 CO -0.40 0.45 -0.09 0.23 0.00 0.00 0.00 178.15 178.34 3hmj n MET 132 N -4.05 0.01 -0.84 2.37 2.81 -0.60 -3.14 117.12 113.67 3hmj n MET 132 Ca -0.01 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 3hmj n MET 132 Cb 0.47 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.59 3hmj n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hmj n ALA 133 N -1.50 4.66 -4.03 3.04 0.00 -0.47 -4.42 120.51 117.80 3hmj n ALA 133 Ca 0.07 -1.98 -0.26 0.00 0.00 0.00 0.00 53.44 51.27 3hmj n ALA 133 Cb 0.34 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3hmj n ALA 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hmj n LYS 134 N -0.57 -0.95 -3.19 0.00 4.81 -1.19 -4.89 118.16 112.18 3hmj n LYS 134 Ca 0.40 0.08 -0.23 0.00 -0.87 0.00 0.00 58.31 57.69 3hmj n LYS 134 Cb 1.24 -3.00 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 3hmj n LYS 134 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3hmj n ARG 135 N -4.02 0.83 -0.27 1.64 0.63 -1.08 -5.08 116.66 109.31 3hmj n ARG 135 Ca -0.28 -3.30 -0.19 0.00 -0.92 0.00 0.00 57.85 53.16 3hmj n ARG 135 Cb 0.59 -1.36 0.19 0.00 0.45 0.00 0.00 32.46 32.33 3hmj n ARG 135 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hmj n PRO 136 N 1.12 -2.94 -2.50 -0.14 -0.02 -1.26 -4.53 135.00 124.74 3hmj n PRO 136 Ca 0.22 -0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 60.45 3hmj n PRO 136 Cb 0.56 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.66 3hmj n PRO 136 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hmj n PHE 137 N -4.75 3.30 -3.71 6.00 3.01 -1.26 -4.95 117.46 115.09 3hmj n PHE 137 Ca 0.09 -2.99 -0.36 0.00 1.01 0.00 0.00 57.45 55.19 3hmj n PHE 137 Cb 0.38 -0.76 -0.09 0.00 -0.01 0.00 0.00 39.48 39.00 3hmj n PHE 137 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hmj s ASP 138 N -2.32 5.29 -0.30 4.37 2.15 -1.26 -4.21 116.67 120.39 3hmj s ASP 138 Ca 0.47 -2.99 -0.15 0.00 0.43 0.00 0.00 52.55 50.31 3hmj s ASP 138 Cb 0.32 -1.85 0.17 0.00 -0.30 0.00 0.00 42.92 41.26 3hmj s ASP 138 CO -0.22 -0.34 1.01 -0.54 -0.17 0.00 0.00 175.17 174.92 3hmj s LYS 139 N -0.27 0.26 0.12 4.34 1.02 -1.26 -5.08 119.74 118.87 3hmj s LYS 139 Ca 0.18 0.62 -0.35 0.00 0.02 0.00 0.00 55.97 56.44 3hmj s LYS 139 Cb -0.19 0.37 -0.16 0.00 -0.52 0.00 0.00 37.83 37.33 3hmj s LYS 139 CO -0.04 -0.13 1.31 1.63 -0.92 0.00 0.00 175.35 177.20 3hmj n LYS 140 N 5.03 1.24 -3.58 1.68 4.76 -1.26 -4.49 118.16 121.54 3hmj n LYS 140 Ca -0.08 0.45 -0.23 0.00 -2.87 0.00 0.00 58.31 55.57 3hmj n LYS 140 Cb 0.53 -2.06 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 3hmj n LYS 140 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hmj s SER 141 N 0.39 6.31 -0.26 4.39 1.04 -0.30 -4.99 113.70 120.27 3hmj s SER 141 Ca 0.81 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 57.53 3hmj s SER 141 Cb -0.90 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 63.19 3hmj s SER 141 CO 0.48 -0.20 3.00 0.59 0.98 0.00 0.00 173.24 178.08 3hmj n ASN 142 N -1.56 5.98 -4.63 7.02 3.02 -1.26 -4.91 115.26 118.93 3hmj n ASN 142 Ca -0.06 -2.90 -0.46 0.00 -0.03 0.00 0.00 54.58 51.13 3hmj n ASN 142 Cb 0.56 -1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.41 3hmj n ASN 142 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3hmj n SER 143 N 1.45 3.39 -0.10 6.41 2.88 -1.26 -3.99 113.62 122.39 3hmj n SER 143 Ca 0.43 0.70 0.02 0.00 -1.33 0.00 0.00 58.87 58.69 3hmj n SER 143 Cb 0.68 -1.43 0.34 0.00 -0.75 0.00 0.00 64.21 63.05 3hmj n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hmj h ALA 144 N 11.36 1.58 0.41 -1.46 0.00 -0.47 0.25 119.26 130.92 3hmj h ALA 144 Ca -0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3hmj h ALA 144 Cb 1.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hmj h ALA 144 CO 0.96 0.38 -0.21 1.25 0.00 0.00 0.00 179.25 181.63 3hmj h LEU 145 N 0.77 -0.51 -2.02 0.00 5.85 -1.77 -2.17 115.31 115.46 3hmj h LEU 145 Ca 0.21 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3hmj h LEU 145 Cb -0.07 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3hmj h LEU 145 CO -0.04 -0.35 0.15 -0.26 -0.34 0.00 0.00 178.44 177.60 3hmj h PHE 146 N -0.57 0.00 -0.18 1.25 -1.00 -1.75 0.82 116.94 115.52 3hmj h PHE 146 Ca -0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 3hmj h PHE 146 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3hmj h PHE 146 CO 0.10 0.00 0.05 -0.09 -1.61 0.00 0.00 178.31 176.76 3hmj h ARG 147 N 0.00 0.28 -0.05 1.51 2.43 -0.53 -1.74 114.38 116.27 3hmj h ARG 147 Ca 0.09 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 3hmj h ARG 147 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hmj h ARG 147 CO -0.00 0.40 -0.69 0.00 -1.51 0.00 0.00 179.97 178.17 3hmj h ALA 148 N 0.86 0.74 -0.55 2.80 0.00 -0.27 -1.14 119.26 121.70 3hmj h ALA 148 Ca 0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3hmj h ALA 148 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hmj h ALA 148 CO -0.00 0.79 0.01 -0.24 0.00 0.00 0.00 179.25 179.81 3hmj h VAL 149 N 0.16 1.26 -0.86 0.00 3.04 -0.98 -1.57 116.25 117.30 3hmj h VAL 149 Ca -0.02 -1.10 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 3hmj h VAL 149 Cb 1.23 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 31.35 3hmj h VAL 149 CO 0.11 0.39 0.45 1.23 -1.01 0.00 0.00 177.57 178.74 3hmj h GLY 150 N 0.85 1.30 0.61 3.17 0.00 -1.01 -3.11 103.07 104.87 3hmj h GLY 150 Ca 0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3hmj h GLY 150 CO 0.03 0.58 -0.18 0.83 0.00 0.00 0.00 176.54 177.80 3hmj h GLU 151 N 1.21 -0.48 0.00 4.80 5.08 -1.15 -3.49 114.58 120.56 3hmj h GLU 151 Ca 0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3hmj h GLU 151 Cb 0.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hmj h GLU 151 CO -0.04 -0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.21 3hmj n GLY 152 N -0.19 -0.48 1.10 -3.84 0.00 -0.66 -5.00 105.19 96.12 3hmj n GLY 152 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.96 3hmj n GLY 152 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hmj n ASN 153 N 0.00 3.05 -3.58 1.61 3.02 -0.78 -4.87 115.26 113.71 3hmj n ASN 153 Ca 0.00 -2.40 -0.08 0.00 -0.03 0.00 0.00 54.58 52.07 3hmj n ASN 153 Cb 0.00 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.55 3hmj n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmj s ALA 154 N -1.76 -1.97 -0.06 5.41 0.00 -1.16 -4.83 121.76 117.40 3hmj s ALA 154 Ca 0.24 1.53 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 3hmj s ALA 154 Cb 0.18 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3hmj s ALA 154 CO 0.07 -0.43 0.15 1.14 0.00 0.00 0.00 175.76 176.69 3hmj s GLN 155 N -1.75 0.17 -0.07 0.00 0.00 -1.26 -4.15 119.66 112.59 3hmj s GLN 155 Ca 0.03 0.21 -0.02 0.00 -0.00 0.00 0.00 55.36 55.58 3hmj s GLN 155 Cb -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 33.01 33.05 3hmj s GLN 155 CO -0.03 -0.02 0.02 -0.51 0.00 0.00 0.00 175.29 174.75 3hmj s LEU 156 N 0.10 3.68 -0.13 2.60 1.43 -1.25 -2.00 118.68 123.12 3hmj s LEU 156 Ca -0.00 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3hmj s LEU 156 Cb -0.01 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3hmj s LEU 156 CO 0.00 0.36 -0.08 -0.69 0.23 0.00 0.00 176.35 176.17 3hmj s VAL 157 N -0.95 1.13 -0.26 -1.59 1.01 -0.50 -0.13 120.40 119.11 3hmj s VAL 157 Ca 0.15 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3hmj s VAL 157 Cb -0.11 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3hmj s VAL 157 CO 0.04 0.35 1.12 0.00 0.00 0.00 0.00 175.10 176.62 3hmj s ALA 158 N 1.66 3.58 -0.09 5.51 0.00 -0.94 -1.46 121.76 130.04 3hmj s ALA 158 Ca 0.04 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3hmj s ALA 158 Cb -0.13 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3hmj s ALA 158 CO -0.09 -1.30 -0.09 -1.50 0.00 0.00 0.00 175.76 172.78 3hmj s ILE 159 N 3.54 3.46 -0.07 0.00 2.07 -0.51 -1.04 121.20 128.65 3hmj s ILE 159 Ca 0.48 -0.55 0.05 0.00 -1.41 0.00 0.00 60.65 59.21 3hmj s ILE 159 Cb -0.15 -2.42 -0.00 0.00 0.13 0.00 0.00 42.46 40.01 3hmj s ILE 159 CO 0.13 0.57 -0.22 -0.36 -1.91 0.00 0.00 174.94 173.14 3hmj s PHE 160 N -0.43 2.29 0.97 3.50 0.40 -0.25 -2.30 117.98 122.16 3hmj s PHE 160 Ca 0.06 -0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 55.45 3hmj s PHE 160 Cb -0.12 -1.53 0.17 0.00 0.51 0.00 0.00 43.02 42.05 3hmj s PHE 160 CO 0.02 -0.30 1.13 0.20 0.70 0.00 0.00 175.22 176.97 3hmj s GLY 161 N 0.16 1.58 0.00 4.36 0.00 -1.26 -0.05 107.32 112.11 3hmj s GLY 161 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3hmj s GLY 161 CO 0.06 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.82 3hmj n GLY 162 N -1.85 5.54 3.78 0.20 0.00 -1.21 -2.84 105.19 108.81 3hmj n GLY 162 Ca 0.07 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3hmj n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hmj s GLN 163 N -0.88 4.58 0.00 1.61 2.00 -1.26 -4.32 119.66 121.39 3hmj s GLN 163 Ca 0.00 1.34 0.00 0.00 -2.00 0.00 0.00 55.36 54.70 3hmj s GLN 163 Cb 0.00 -2.80 0.00 0.00 0.80 0.00 0.00 33.01 31.01 3hmj s GLN 163 CO 0.00 0.27 0.00 0.41 -0.50 0.00 0.00 175.29 175.47 3hmj n GLY 164 N 0.57 0.87 0.17 2.59 0.00 -1.25 -4.96 105.19 103.18 3hmj n GLY 164 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3hmj n GLY 164 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hmj h ASN 165 N 0.00 0.00 -4.29 1.61 4.21 -1.85 -3.38 115.58 111.88 3hmj h ASN 165 Ca 0.00 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.33 3hmj h ASN 165 Cb 0.00 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 36.96 3hmj h ASN 165 CO 0.00 0.01 -0.45 -0.89 -1.29 0.00 0.00 177.43 174.81 3hmj s THR 166 N -3.21 0.03 0.06 2.81 2.01 -1.26 -4.63 115.64 111.45 3hmj s THR 166 Ca 0.06 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 3hmj s THR 166 Cb 0.08 -0.38 -0.17 0.00 0.01 0.00 0.00 72.50 72.03 3hmj s THR 166 CO 0.68 -0.14 1.57 -0.78 -0.69 0.00 0.00 174.62 175.26 3hmj h ASP 167 N 5.13 -0.47 -2.95 3.53 3.58 -1.90 -3.37 116.42 119.98 3hmj h ASP 167 Ca -0.28 -0.03 -0.78 0.00 0.42 0.00 0.00 57.03 56.37 3hmj h ASP 167 Cb 1.19 0.12 -0.30 0.00 1.72 0.00 0.00 39.33 42.07 3hmj h ASP 167 CO 0.38 -0.28 0.57 0.47 -2.88 0.00 0.00 179.24 177.51 3hmj n ASP 168 N -5.30 5.96 -0.19 2.28 9.92 -1.26 -4.86 116.55 123.10 3hmj n ASP 168 Ca -0.11 -3.36 -0.08 0.00 -0.53 0.00 0.00 54.79 50.71 3hmj n ASP 168 Cb 0.25 -1.22 0.02 0.00 -0.64 0.00 0.00 41.12 39.53 3hmj n ASP 168 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3hmj h TYR 169 N 5.49 0.86 0.00 1.24 -0.00 -1.99 -2.73 116.97 119.84 3hmj h TYR 169 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 58.73 58.84 3hmj h TYR 169 Cb 0.66 -0.25 -0.00 0.00 0.00 0.00 0.00 36.73 37.14 3hmj h TYR 169 CO 0.94 0.73 -0.00 0.35 -0.00 0.00 0.00 178.16 180.18 3hmj h PHE 170 N 0.74 0.00 -0.75 0.10 3.57 -1.93 -0.94 116.94 117.73 3hmj h PHE 170 Ca 0.17 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hmj h PHE 170 Cb 0.27 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3hmj h PHE 170 CO 0.02 0.00 0.35 1.49 -2.23 0.00 0.00 178.31 177.94 3hmj h GLU 171 N 0.00 1.07 -0.29 1.11 4.57 -1.90 -2.32 114.58 116.82 3hmj h GLU 171 Ca -0.00 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3hmj h GLU 171 Cb 0.02 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 3hmj h GLU 171 CO 0.00 0.83 0.04 1.49 -1.18 0.00 0.00 179.01 180.19 3hmj h GLU 172 N 1.06 0.42 -0.19 1.92 4.81 -1.31 -1.53 114.58 119.77 3hmj h GLU 172 Ca 0.26 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3hmj h GLU 172 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3hmj h GLU 172 CO -0.03 0.41 -0.42 1.25 -0.73 0.00 0.00 179.01 179.50 3hmj h LEU 173 N 0.41 0.47 0.79 1.64 6.46 -1.52 -2.64 115.31 120.92 3hmj h LEU 173 Ca 0.10 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3hmj h LEU 173 Cb 0.21 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.01 3hmj h LEU 173 CO 0.00 0.83 -0.38 0.03 -0.62 0.00 0.00 178.44 178.31 3hmj h ARG 174 N 0.37 -1.02 -0.98 1.25 3.08 -0.87 -1.31 114.38 114.90 3hmj h ARG 174 Ca 0.03 0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.42 3hmj h ARG 174 Cb 0.89 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 3hmj h ARG 174 CO 0.07 -0.68 0.68 -0.44 -1.07 0.00 0.00 179.97 178.54 3hmj h ASP 175 N -1.16 0.17 0.16 7.04 5.19 -1.43 0.65 116.42 127.04 3hmj h ASP 175 Ca -0.11 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3hmj h ASP 175 Cb 0.81 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 3hmj h ASP 175 CO 0.18 0.05 -0.08 0.25 -3.12 0.00 0.00 179.24 176.52 3hmj h LEU 176 N 0.16 -0.18 -0.70 1.55 6.46 -1.39 -0.65 115.31 120.56 3hmj h LEU 176 Ca 0.49 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3hmj h LEU 176 Cb 1.67 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.59 3hmj h LEU 176 CO -0.10 0.37 0.43 0.22 -0.62 0.00 0.00 178.44 178.74 3hmj h TYR 177 N -0.84 0.79 0.01 1.25 3.20 0.07 -2.24 116.97 119.21 3hmj h TYR 177 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hmj h TYR 177 Cb 0.53 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3hmj h TYR 177 CO 0.08 0.43 -0.00 0.37 -1.64 0.00 0.00 178.16 177.40 3hmj h GLN 178 N 0.82 -0.01 0.00 1.82 -0.00 0.16 -3.24 115.11 114.66 3hmj h GLN 178 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.94 3hmj h GLN 178 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.56 3hmj h GLN 178 CO -0.13 0.65 0.00 2.41 0.00 0.00 0.00 178.83 181.76 3hmj n THR 179 N -4.77 0.00 -1.70 2.39 -1.04 -0.25 -4.11 114.28 104.80 3hmj n THR 179 Ca -0.09 0.94 -0.36 0.00 -2.04 0.00 0.00 64.05 62.50 3hmj n THR 179 Cb 0.33 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 3hmj n THR 179 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hmj n TYR 180 N -1.70 2.27 -0.00 -1.42 4.02 -0.85 -4.58 117.16 114.89 3hmj n TYR 180 Ca 0.00 -2.70 -0.03 0.00 -0.01 0.00 0.00 57.90 55.16 3hmj n TYR 180 Cb 0.00 -1.93 0.20 0.00 -0.02 0.00 0.00 39.34 37.59 3hmj n TYR 180 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3hmj h HIS 181 N 4.40 0.58 0.00 -0.72 2.76 -1.70 -2.60 115.15 117.87 3hmj h HIS 181 Ca 0.68 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.74 3hmj h HIS 181 Cb 0.42 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hmj h HIS 181 CO 1.67 0.70 0.00 0.28 -1.30 0.00 0.00 177.93 179.28 3hmj n VAL 182 N -4.15 0.79 -0.07 5.26 0.31 -1.26 -1.81 118.33 117.40 3hmj n VAL 182 Ca 0.00 0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 3hmj n VAL 182 Cb 0.38 -0.91 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 3hmj n VAL 182 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hmj n LEU 183 N -1.61 1.50 -0.00 7.52 4.77 -1.09 -4.81 117.00 123.27 3hmj n LEU 183 Ca 0.04 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3hmj n LEU 183 Cb 0.22 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3hmj n LEU 183 CO 0.17 0.53 -0.41 0.52 -1.33 0.00 0.00 177.39 176.87 3hmj n VAL 184 N -2.70 0.00 -0.35 4.08 0.31 -1.00 -4.63 118.33 114.05 3hmj n VAL 184 Ca -0.24 -0.25 0.31 0.00 -0.01 0.00 0.00 64.34 64.15 3hmj n VAL 184 Cb 0.84 0.52 0.57 0.00 -0.91 0.00 0.00 33.84 34.86 3hmj n VAL 184 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hmj h GLY 185 N 2.27 2.07 0.14 2.92 0.00 -1.57 -2.07 103.07 106.82 3hmj h GLY 185 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hmj h GLY 185 CO 0.00 -0.66 -0.21 -0.55 0.00 0.00 0.00 176.54 175.13 3hmj h ASP 186 N 0.10 -0.60 1.69 0.19 3.32 -1.85 -1.97 116.42 117.31 3hmj h ASP 186 Ca 0.82 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.92 3hmj h ASP 186 Cb 2.15 0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.91 3hmj h ASP 186 CO -0.67 -0.25 0.00 0.17 -1.72 0.00 0.00 179.24 176.77 3hmj h LEU 187 N -0.36 0.00 0.73 1.55 -0.00 -1.73 1.01 115.31 116.51 3hmj h LEU 187 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 3hmj h LEU 187 Cb 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.00 3hmj h LEU 187 CO -0.06 0.00 -0.35 0.40 -0.00 0.00 0.00 178.44 178.42 3hmj h ILE 188 N 0.00 0.13 -0.80 0.15 1.08 -1.48 0.37 117.51 116.97 3hmj h ILE 188 Ca 0.00 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3hmj h ILE 188 Cb 0.84 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 3hmj h ILE 188 CO 0.00 0.01 0.51 0.50 -0.69 0.00 0.00 178.15 178.49 3hmj h LYS 189 N -1.17 0.98 -0.90 2.37 3.64 -0.92 0.33 116.57 120.90 3hmj h LYS 189 Ca -0.10 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3hmj h LYS 189 Cb 0.78 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3hmj h LYS 189 CO 0.17 0.65 0.50 0.35 -2.27 0.00 0.00 179.45 178.84 3hmj h PHE 190 N 1.01 1.23 -0.09 1.91 3.57 0.11 -1.88 116.94 122.80 3hmj h PHE 190 Ca 0.32 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 3hmj h PHE 190 Cb -0.01 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.34 3hmj h PHE 190 CO -0.03 0.84 -0.33 0.77 -2.23 0.00 0.00 178.31 177.33 3hmj h SER 191 N 1.26 0.44 -0.98 0.41 0.02 0.42 -1.45 113.55 113.67 3hmj h SER 191 Ca 0.32 -0.63 0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3hmj h SER 191 Cb 0.02 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.34 3hmj h SER 191 CO -0.05 1.00 0.62 0.00 -1.14 0.00 0.00 176.83 177.25 3hmj h ALA 192 N 0.46 1.61 0.04 3.77 0.00 -0.17 0.16 119.26 125.12 3hmj h ALA 192 Ca -0.02 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3hmj h ALA 192 Cb 0.97 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hmj h ALA 192 CO 0.07 0.13 -0.82 0.93 0.00 0.00 0.00 179.25 179.56 3hmj h GLU 193 N 0.91 0.49 0.00 0.00 5.08 -1.33 -2.44 114.58 117.28 3hmj h GLU 193 Ca 0.50 -0.58 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3hmj h GLU 193 Cb 0.58 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3hmj h GLU 193 CO -0.26 1.21 -0.53 0.00 -1.00 0.00 0.00 179.01 178.42 3hmj h THR 194 N 0.02 1.34 -0.22 1.13 1.03 -0.52 -1.15 112.91 114.53 3hmj h THR 194 Ca -0.11 -1.86 -0.10 0.00 -0.01 0.00 0.00 66.41 64.32 3hmj h THR 194 Cb 1.53 2.01 -0.00 0.00 -1.07 0.00 0.00 68.15 70.63 3hmj h THR 194 CO 0.16 0.52 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.85 3hmj h LEU 195 N 0.00 0.62 -0.99 0.00 3.38 -0.78 -2.25 115.31 115.28 3hmj h LEU 195 Ca -0.01 -0.50 0.18 0.00 0.09 0.00 0.00 57.88 57.65 3hmj h LEU 195 Cb 0.97 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 3hmj h LEU 195 CO 0.07 0.99 0.60 0.28 0.09 0.00 0.00 178.44 180.47 3hmj h SER 196 N 0.26 0.78 0.10 -0.43 0.02 -0.86 -1.82 113.55 111.59 3hmj h SER 196 Ca 0.03 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hmj h SER 196 Cb 0.84 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3hmj h SER 196 CO 0.06 0.28 -0.05 -0.08 -1.14 0.00 0.00 176.83 175.91 3hmj h GLU 197 N 0.76 -0.12 -1.40 3.45 4.57 -1.10 -2.82 114.58 117.93 3hmj h GLU 197 Ca 0.57 0.01 0.40 0.00 -1.18 0.00 0.00 59.36 59.16 3hmj h GLU 197 Cb 0.87 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.43 3hmj h GLU 197 CO -0.38 0.17 1.04 -0.07 -1.18 0.00 0.00 179.01 178.60 3hmj h LEU 198 N -0.43 0.00 0.21 1.64 -0.00 -0.72 0.17 115.31 116.18 3hmj h LEU 198 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.54 3hmj h LEU 198 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.04 3hmj h LEU 198 CO 0.02 0.00 -1.51 0.40 -0.00 0.00 0.00 178.44 177.35 3hmj h ILE 199 N 0.00 1.23 0.49 1.22 2.04 -1.22 -1.41 117.51 119.86 3hmj h ILE 199 Ca 0.66 -2.73 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 3hmj h ILE 199 Cb 2.73 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 41.77 3hmj h ILE 199 CO -0.01 0.83 -0.24 0.03 0.00 0.00 0.00 178.15 178.77 3hmj h ARG 200 N 0.12 -0.64 -0.94 2.37 3.08 -1.09 -3.26 114.38 114.02 3hmj h ARG 200 Ca -0.26 0.04 0.36 0.00 0.07 0.00 0.00 59.98 60.20 3hmj h ARG 200 Cb 2.12 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 32.18 3hmj h ARG 200 CO 0.24 -0.43 0.55 2.41 -1.07 0.00 0.00 179.97 181.67 3hmj n THR 201 N -4.40 -0.29 -3.44 2.04 -1.04 0.46 -4.54 114.28 103.08 3hmj n THR 201 Ca -0.08 1.57 -0.34 0.00 -2.04 0.00 0.00 64.05 63.16 3hmj n THR 201 Cb 0.26 -2.57 -0.06 0.00 -1.82 0.00 0.00 70.33 66.15 3hmj n THR 201 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hmj s THR 202 N -5.11 4.95 0.00 12.58 2.01 -0.53 -5.05 115.64 124.48 3hmj s THR 202 Ca -0.07 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.53 3hmj s THR 202 Cb 0.27 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3hmj s THR 202 CO 0.65 0.15 0.27 -0.11 -0.69 0.00 0.00 174.62 174.89 3hmj n LEU 203 N 0.52 0.00 -1.70 4.42 7.94 -1.26 -4.09 117.00 122.83 3hmj n LEU 203 Ca -0.04 0.27 -0.08 0.00 -1.11 0.00 0.00 56.01 55.05 3hmj n LEU 203 Cb 0.52 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.71 3hmj n LEU 203 CO 0.43 0.00 0.97 0.47 -1.11 0.00 0.00 177.39 178.16 3hmj n ASP 204 N -0.34 3.83 0.04 1.96 8.00 -1.26 -4.43 116.55 124.35 3hmj n ASP 204 Ca 0.00 -3.44 0.05 0.00 0.71 0.00 0.00 54.79 52.11 3hmj n ASP 204 Cb 0.00 -0.72 0.46 0.00 -0.02 0.00 0.00 41.12 40.85 3hmj n ASP 204 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hmj h ALA 205 N 1.70 1.77 -0.97 2.24 0.00 -1.82 -2.64 119.26 119.54 3hmj h ALA 205 Ca 0.31 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.36 3hmj h ALA 205 Cb 2.18 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.75 3hmj h ALA 205 CO 0.68 0.21 0.61 1.05 0.00 0.00 0.00 179.25 181.79 3hmj h GLU 206 N 0.46 0.74 0.00 0.00 4.11 -1.77 -1.19 114.58 116.92 3hmj h GLU 206 Ca 0.13 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 3hmj h GLU 206 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3hmj h GLU 206 CO -0.03 0.49 -0.35 0.87 0.07 0.00 0.00 179.01 180.06 3hmj h LYS 207 N 0.76 0.00 -0.02 1.06 1.57 -1.82 -2.89 116.57 115.22 3hmj h LYS 207 Ca 0.51 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.08 3hmj h LYS 207 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3hmj h LYS 207 CO -0.28 0.35 -0.88 0.28 -0.57 0.00 0.00 179.45 178.35 3hmj h VAL 208 N 0.00 1.41 -0.95 0.50 2.07 -1.33 -3.31 116.25 114.63 3hmj h VAL 208 Ca -0.00 -2.40 -0.73 0.00 0.82 0.00 0.00 66.70 64.39 3hmj h VAL 208 Cb 0.63 2.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 3hmj h VAL 208 CO 0.05 0.71 2.61 0.49 0.02 0.00 0.00 177.57 181.45 3hmj n PHE 209 N -3.75 2.68 -0.31 1.57 3.01 -1.09 -4.81 117.46 114.76 3hmj n PHE 209 Ca -0.06 -2.87 0.12 0.00 1.01 0.00 0.00 57.45 55.65 3hmj n PHE 209 Cb 0.80 -2.01 0.24 0.00 -0.01 0.00 0.00 39.48 38.50 3hmj n PHE 209 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3hmj n THR 210 N 2.56 -0.37 -1.40 4.37 5.66 -1.25 -0.74 114.28 123.10 3hmj n THR 210 Ca 0.60 1.98 -0.11 0.00 -3.05 0.00 0.00 64.05 63.47 3hmj n THR 210 Cb 0.28 -2.86 0.19 0.00 -1.55 0.00 0.00 70.33 66.39 3hmj n THR 210 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hmj n GLN 211 N -5.33 1.96 -1.11 1.09 6.02 -1.26 -5.08 117.38 113.66 3hmj n GLN 211 Ca 0.20 -3.15 0.14 0.00 -0.01 0.00 0.00 57.00 54.18 3hmj n GLN 211 Cb 0.64 -1.93 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 3hmj n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hmj n GLY 212 N -1.13 -2.35 1.97 1.08 0.00 0.08 -4.74 105.19 100.10 3hmj n GLY 212 Ca 0.42 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 3hmj n GLY 212 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hmj n LEU 213 N -3.82 3.19 -4.58 0.99 7.94 -1.26 -4.98 117.00 114.48 3hmj n LEU 213 Ca -0.02 -3.83 -0.30 0.00 -1.11 0.00 0.00 56.01 50.75 3hmj n LEU 213 Cb 0.52 -0.10 -0.05 0.00 0.53 0.00 0.00 43.42 44.32 3hmj n LEU 213 CO 0.02 1.52 1.53 0.21 -1.11 0.00 0.00 177.39 179.55 3hmj s ASN 214 N -3.43 5.26 0.12 1.96 3.84 -1.26 -4.73 114.94 116.70 3hmj s ASN 214 Ca 0.40 -1.58 -0.17 0.00 0.21 0.00 0.00 52.86 51.72 3hmj s ASN 214 Cb 0.38 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.47 3hmj s ASN 214 CO -0.02 -2.81 1.67 0.40 -2.79 0.00 0.00 177.10 173.55 3hmj h ILE 215 N 6.30 1.19 -0.92 -5.21 2.04 -1.94 -2.40 117.51 116.57 3hmj h ILE 215 Ca 0.22 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.55 3hmj h ILE 215 Cb 0.94 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3hmj h ILE 215 CO 1.25 0.20 0.59 -0.07 0.00 0.00 0.00 178.15 180.12 3hmj h LEU 216 N 0.41 0.96 0.32 1.44 3.38 -1.93 -2.15 115.31 117.74 3hmj h LEU 216 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hmj h LEU 216 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hmj h LEU 216 CO -0.01 0.64 -0.15 -0.08 0.09 0.00 0.00 178.44 178.92 3hmj h GLU 217 N 1.11 -0.41 -0.74 1.13 4.57 -1.88 -2.19 114.58 116.17 3hmj h GLU 217 Ca 0.38 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.70 3hmj h GLU 217 Cb 0.09 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3hmj h GLU 217 CO -0.15 -0.20 0.49 -1.49 -1.18 0.00 0.00 179.01 176.48 3hmj h TRP 218 N -0.54 0.65 0.07 0.92 6.55 -1.22 -0.57 115.95 121.81 3hmj h TRP 218 Ca -0.04 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 3hmj h TRP 218 Cb 0.40 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 3hmj h TRP 218 CO -0.03 0.30 -0.03 -0.07 -1.05 0.00 0.00 178.44 177.56 3hmj h LEU 219 N 0.60 -0.08 -0.17 -4.49 3.38 -1.20 -3.14 115.31 110.22 3hmj h LEU 219 Ca 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hmj h LEU 219 Cb 0.54 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hmj h LEU 219 CO -0.12 0.18 0.05 -0.33 0.09 0.00 0.00 178.44 178.30 3hmj h GLU 220 N -0.34 0.27 -3.18 1.13 4.39 -0.69 -3.37 114.58 112.79 3hmj h GLU 220 Ca -0.01 -0.06 -0.63 0.00 0.34 0.00 0.00 59.36 59.00 3hmj h GLU 220 Cb 0.29 -0.04 -0.42 0.00 -0.10 0.00 0.00 28.75 28.49 3hmj h GLU 220 CO 0.02 0.40 -0.60 -0.80 -1.16 0.00 0.00 179.01 176.86 3hmj s ASN 221 N -5.65 4.60 0.44 1.42 0.01 -0.31 -4.93 114.94 110.53 3hmj s ASN 221 Ca -0.14 -3.54 0.32 0.00 -0.71 0.00 0.00 52.86 48.79 3hmj s ASN 221 Cb 0.07 -1.62 1.47 0.00 0.41 0.00 0.00 41.25 41.58 3hmj s ASN 221 CO 0.71 -0.14 1.60 -0.65 -1.51 0.00 0.00 177.10 177.11 3hmj h PRO 222 N 5.80 0.04 -1.08 -0.60 0.11 -1.72 0.84 132.00 135.39 3hmj h PRO 222 Ca 0.07 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.47 3hmj h PRO 222 Cb 0.81 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.79 3hmj h PRO 222 CO 0.70 0.03 0.68 1.03 -0.21 0.00 0.00 178.00 180.23 3hmj h SER 223 N 0.04 0.45 0.30 -2.05 0.87 -1.92 -1.30 113.55 109.94 3hmj h SER 223 Ca 0.85 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.53 3hmj h SER 223 Cb 2.74 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 64.75 3hmj h SER 223 CO -0.43 0.01 -0.35 0.59 -0.53 0.00 0.00 176.83 176.12 3hmj n ASN 224 N -4.73 0.90 -4.70 6.23 4.13 0.29 -4.91 115.26 112.48 3hmj n ASN 224 Ca 0.29 -0.73 -0.42 0.00 1.68 0.00 0.00 54.58 55.40 3hmj n ASN 224 Cb 0.98 0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 39.38 3hmj n ASN 224 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3hmj s THR 225 N -2.65 2.82 1.34 3.41 2.01 -0.49 -4.86 115.64 117.21 3hmj s THR 225 Ca 0.20 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 3hmj s THR 225 Cb 0.19 -3.25 0.34 0.00 0.01 0.00 0.00 72.50 69.79 3hmj s THR 225 CO 0.58 0.01 0.97 -2.84 -0.69 0.00 0.00 174.62 172.65 3hmj s PRO 226 N 2.26 -2.28 0.86 4.92 0.02 -1.26 -4.99 135.00 134.53 3hmj s PRO 226 Ca 0.74 0.29 -0.11 0.00 0.02 0.00 0.00 61.00 61.94 3hmj s PRO 226 Cb -0.42 -1.44 0.11 0.00 0.02 0.00 0.00 34.50 32.77 3hmj s PRO 226 CO 0.33 -4.49 1.15 -0.51 -0.33 0.00 0.00 177.00 173.15 3hmj s ASP 227 N -3.05 3.42 0.38 2.53 1.01 -1.26 -4.77 116.67 114.92 3hmj s ASP 227 Ca 0.69 2.15 0.12 0.00 0.71 0.00 0.00 52.55 56.21 3hmj s ASP 227 Cb -0.16 -2.56 0.91 0.00 1.01 0.00 0.00 42.92 42.12 3hmj s ASP 227 CO 0.59 -2.77 1.88 0.11 0.21 0.00 0.00 175.17 175.19 3hmj h LYS 228 N -1.49 0.56 -0.88 8.23 1.57 -1.98 -1.21 116.57 121.38 3hmj h LYS 228 Ca -0.44 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hmj h LYS 228 Cb 1.27 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3hmj h LYS 228 CO 0.45 0.37 0.55 -0.44 -0.57 0.00 0.00 179.45 179.81 3hmj h ASP 229 N 0.58 1.04 0.00 0.86 3.32 -1.98 0.51 116.42 120.75 3hmj h ASP 229 Ca 0.43 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3hmj h ASP 229 Cb 0.81 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hmj h ASP 229 CO -0.18 0.78 -0.00 0.22 -1.72 0.00 0.00 179.24 178.34 3hmj h TYR 230 N 1.21 -0.00 -0.09 4.55 3.20 -1.68 -3.24 116.97 120.91 3hmj h TYR 230 Ca 0.32 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3hmj h TYR 230 Cb -0.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3hmj h TYR 230 CO 0.00 0.72 0.10 -0.07 -1.64 0.00 0.00 178.16 177.28 3hmj h LEU 231 N -0.74 0.00 0.00 2.82 3.38 -0.99 -2.73 115.31 117.05 3hmj h LEU 231 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3hmj h LEU 231 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3hmj h LEU 231 CO 0.00 0.00 -1.05 0.25 0.09 0.00 0.00 178.44 177.73 3hmj h LEU 232 N 0.00 0.00 -9.90 1.67 6.46 -0.95 -3.31 115.31 109.28 3hmj h LEU 232 Ca 0.04 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 57.28 3hmj h LEU 232 Cb 0.24 0.00 0.07 0.00 -0.73 0.00 0.00 40.66 40.25 3hmj h LEU 232 CO -0.00 0.38 0.65 -0.94 -0.62 0.00 0.00 178.44 177.91 3hmj s SER 233 N -5.83 6.64 0.23 1.25 1.04 -1.03 -4.21 113.70 111.78 3hmj s SER 233 Ca -0.00 2.72 -0.07 0.00 0.48 0.00 0.00 55.95 59.08 3hmj s SER 233 Cb 0.08 -2.65 0.34 0.00 0.10 0.00 0.00 66.02 63.90 3hmj s SER 233 CO 0.78 -0.63 1.77 0.16 0.98 0.00 0.00 173.24 176.30 3hmj h ILE 234 N 2.92 0.81 -0.77 -1.02 3.07 -1.89 -2.20 117.51 118.44 3hmj h ILE 234 Ca -0.49 -0.19 0.21 0.00 1.55 0.00 0.00 64.86 65.94 3hmj h ILE 234 Cb 1.23 0.21 -0.04 0.00 -0.27 0.00 0.00 36.82 37.95 3hmj h ILE 234 CO 0.65 0.10 0.54 -0.65 -1.05 0.00 0.00 178.15 177.74 3hmj h PRO 235 N 0.56 0.07 0.00 0.16 0.11 -1.91 0.28 132.00 131.27 3hmj h PRO 235 Ca 0.35 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 3hmj h PRO 235 Cb 0.40 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3hmj h PRO 235 CO -0.29 0.04 -1.95 1.51 -0.21 0.00 0.00 178.00 177.10 3hmj n ILE 236 N -4.34 0.64 0.07 4.15 0.00 -1.09 -4.57 119.36 114.22 3hmj n ILE 236 Ca 0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 62.75 62.28 3hmj n ILE 236 Cb 0.79 -0.30 -0.09 0.00 0.00 0.00 0.00 39.64 40.04 3hmj n ILE 236 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3hmj h SER 237 N 0.00 0.03 0.76 9.51 4.64 -0.50 -2.91 113.55 125.07 3hmj h SER 237 Ca -0.25 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3hmj h SER 237 Cb 1.48 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.57 3hmj h SER 237 CO 0.01 0.98 -0.36 0.00 -0.87 0.00 0.00 176.83 176.59 3hmj h PRO 239 N -1.19 0.61 -0.48 0.00 0.11 -1.77 -2.62 132.00 126.67 3hmj h PRO 239 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3hmj h PRO 239 Cb 0.80 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3hmj h PRO 239 CO 0.17 0.41 0.32 -0.07 -0.21 0.00 0.00 178.00 178.61 3hmj h LEU 240 N 0.63 0.55 -0.68 2.35 4.07 -1.54 -1.54 115.31 119.15 3hmj h LEU 240 Ca 0.23 -0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.26 3hmj h LEU 240 Cb 0.06 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 3hmj h LEU 240 CO -0.11 0.41 0.31 0.40 -1.08 0.00 0.00 178.44 178.37 3hmj h ILE 241 N 0.65 0.82 -0.41 1.22 2.04 -1.01 -1.00 117.51 119.83 3hmj h ILE 241 Ca 0.18 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3hmj h ILE 241 Cb -0.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3hmj h ILE 241 CO -0.04 0.10 0.27 1.23 0.00 0.00 0.00 178.15 179.71 3hmj h GLY 242 N 0.54 0.58 0.56 5.37 0.00 -1.05 -1.45 103.07 107.62 3hmj h GLY 242 Ca 0.34 -0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.56 3hmj h GLY 242 CO -0.28 0.22 0.60 -2.08 0.00 0.00 0.00 176.54 175.00 3hmj h VAL 243 N 0.55 0.92 -0.61 4.60 2.07 -0.59 0.24 116.25 123.42 3hmj h VAL 243 Ca 0.15 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hmj h VAL 243 Cb -0.05 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.64 3hmj h VAL 243 CO -0.03 0.16 0.33 0.40 0.02 0.00 0.00 177.57 178.45 3hmj h ILE 244 N 0.89 1.20 -0.10 4.57 2.04 -0.22 0.19 117.51 126.08 3hmj h ILE 244 Ca 0.46 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3hmj h ILE 244 Cb 0.52 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3hmj h ILE 244 CO -0.22 0.22 -0.14 1.56 0.00 0.00 0.00 178.15 179.57 3hmj h GLN 245 N 0.84 0.27 -0.35 2.37 4.20 -0.28 -1.93 115.11 120.23 3hmj h GLN 245 Ca 0.22 -0.16 0.06 0.00 0.06 0.00 0.00 58.65 58.83 3hmj h GLN 245 Cb 0.05 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 3hmj h GLN 245 CO -0.03 0.72 0.03 -0.07 -0.67 0.00 0.00 178.83 178.81 3hmj h LEU 246 N -0.15 -0.07 -1.00 1.46 4.07 -0.54 -0.81 115.31 118.27 3hmj h LEU 246 Ca 0.01 0.07 0.11 0.00 0.08 0.00 0.00 57.88 58.15 3hmj h LEU 246 Cb 0.68 0.11 -0.08 0.00 1.08 0.00 0.00 40.66 42.46 3hmj h LEU 246 CO 0.03 -0.00 0.63 0.00 -1.08 0.00 0.00 178.44 178.02 3hmj h ALA 247 N 1.29 1.47 -0.32 1.53 0.00 -0.55 -1.14 119.26 121.54 3hmj h ALA 247 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3hmj h ALA 247 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hmj h ALA 247 CO -0.26 0.27 -0.24 0.45 0.00 0.00 0.00 179.25 179.47 3hmj h HIS 248 N 1.03 0.86 -0.55 0.00 3.86 -0.77 -2.19 115.15 117.39 3hmj h HIS 248 Ca 0.48 -0.24 0.11 0.00 -1.16 0.00 0.00 60.37 59.56 3hmj h HIS 248 Cb 0.41 -0.19 -0.09 0.00 1.06 0.00 0.00 27.41 28.60 3hmj h HIS 248 CO -0.01 0.98 0.03 -0.92 0.86 0.00 0.00 177.93 178.88 3hmj h TYR 249 N 0.49 0.03 -0.51 2.45 3.20 -0.42 -2.36 116.97 119.84 3hmj h TYR 249 Ca 0.06 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3hmj h TYR 249 Cb 0.80 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3hmj h TYR 249 CO 0.07 -0.10 0.06 0.28 -1.64 0.00 0.00 178.16 176.82 3hmj h VAL 250 N 0.15 1.26 -0.12 1.81 2.07 -0.96 0.81 116.25 121.27 3hmj h VAL 250 Ca 0.28 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3hmj h VAL 250 Cb 0.43 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hmj h VAL 250 CO -0.43 0.35 -0.07 -0.37 0.02 0.00 0.00 177.57 177.06 3hmj h VAL 251 N 0.73 1.13 -0.08 2.57 -1.51 -1.14 0.26 116.25 118.21 3hmj h VAL 251 Ca 0.15 -0.55 -0.09 0.00 -1.23 0.00 0.00 66.70 64.98 3hmj h VAL 251 Cb 0.44 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 3hmj h VAL 251 CO 0.01 0.17 -0.32 0.74 -1.23 0.00 0.00 177.57 176.95 3hmj h THR 252 N 0.18 1.41 0.72 7.19 2.02 -0.87 -2.09 112.91 121.48 3hmj h THR 252 Ca 0.04 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 3hmj h THR 252 Cb 0.25 2.27 0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3hmj h THR 252 CO 0.01 0.49 -0.35 0.00 0.37 0.00 0.00 175.52 176.05 3hmj h ALA 253 N 0.45 -0.97 -0.93 6.16 0.00 -0.53 -2.15 119.26 121.30 3hmj h ALA 253 Ca -0.02 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3hmj h ALA 253 Cb 0.96 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3hmj h ALA 253 CO 0.07 -0.91 0.55 0.87 0.00 0.00 0.00 179.25 179.82 3hmj h LYS 254 N -1.24 0.81 0.00 0.00 1.57 -0.62 -1.81 116.57 115.29 3hmj h LYS 254 Ca -0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3hmj h LYS 254 Cb 0.75 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hmj h LYS 254 CO 0.16 0.54 0.00 1.25 -0.57 0.00 0.00 179.45 180.83 3hmj h LEU 255 N 0.84 0.00 0.00 2.94 5.85 -1.39 -2.86 115.31 120.69 3hmj h LEU 255 Ca 0.48 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.12 3hmj h LEU 255 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3hmj h LEU 255 CO -0.30 0.00 -0.89 -0.07 -0.34 0.00 0.00 178.44 176.85 3hmj h LEU 256 N 0.00 0.00 0.00 2.25 3.38 -0.66 -3.46 115.31 116.82 3hmj h LEU 256 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hmj h LEU 256 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hmj h LEU 256 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3hmj n GLY 257 N 1.25 1.27 3.67 0.83 0.00 -0.97 -1.15 105.19 110.09 3hmj n GLY 257 Ca -0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3hmj n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hmj s PHE 258 N -2.00 2.77 0.58 1.61 0.40 -0.77 -4.28 117.98 116.29 3hmj s PHE 258 Ca 0.00 -0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 3hmj s PHE 258 Cb 0.00 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 3hmj s PHE 258 CO 0.00 0.59 0.94 -0.08 0.70 0.00 0.00 175.22 177.36 3hmj s THR 259 N -2.17 4.47 0.25 0.64 -1.32 -1.26 -4.16 115.64 112.08 3hmj s THR 259 Ca 0.31 0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 61.18 3hmj s THR 259 Cb -0.07 -3.76 0.30 0.00 -1.51 0.00 0.00 72.50 67.46 3hmj s THR 259 CO 0.20 -0.88 1.62 -0.65 -2.21 0.00 0.00 174.62 172.70 3hmj h PRO 260 N -0.16 0.07 -0.13 7.08 0.11 -1.92 -0.01 132.00 137.04 3hmj h PRO 260 Ca -0.45 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 3hmj h PRO 260 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3hmj h PRO 260 CO 0.62 0.04 -0.57 0.78 -0.21 0.00 0.00 178.00 178.66 3hmj h GLY 261 N 0.07 0.45 1.01 -0.55 0.00 -1.06 -1.95 103.07 101.05 3hmj h GLY 261 Ca 0.42 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3hmj h GLY 261 CO -0.72 0.48 0.49 0.83 0.00 0.00 0.00 176.54 177.62 3hmj h GLU 262 N 0.31 1.09 -0.31 4.80 5.08 -1.44 0.11 114.58 124.23 3hmj h GLU 262 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3hmj h GLU 262 Cb 1.09 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hmj h GLU 262 CO 0.10 0.77 0.16 1.25 -1.00 0.00 0.00 179.01 180.29 3hmj h LEU 263 N 1.10 0.39 -2.04 1.33 5.85 -0.93 -2.93 115.31 118.08 3hmj h LEU 263 Ca 0.29 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hmj h LEU 263 Cb -0.04 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hmj h LEU 263 CO -0.05 0.37 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.24 3hmj h ARG 264 N 0.37 0.00 -0.14 1.25 2.43 -0.59 -2.58 114.38 115.13 3hmj h ARG 264 Ca 0.11 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3hmj h ARG 264 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hmj h ARG 264 CO -0.02 0.08 -0.41 0.66 -1.51 0.00 0.00 179.97 178.77 3hmj h SER 265 N 0.00 0.33 0.30 -3.80 4.64 -0.61 -2.75 113.55 111.65 3hmj h SER 265 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3hmj h SER 265 Cb 0.18 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hmj h SER 265 CO 0.01 0.71 0.00 -1.22 -0.87 0.00 0.00 176.83 175.46 3hmj n TYR 266 N -4.02 0.00 -3.38 4.77 4.02 -0.97 -4.74 117.16 112.84 3hmj n TYR 266 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.50 3hmj n TYR 266 Cb 0.49 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.46 3hmj n TYR 266 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hmj s LEU 267 N -2.55 4.18 0.22 7.72 1.02 -1.04 -3.78 118.68 124.45 3hmj s LEU 267 Ca 0.16 0.57 0.18 0.00 0.02 0.00 0.00 54.13 55.07 3hmj s LEU 267 Cb 0.11 -2.54 0.88 0.00 0.02 0.00 0.00 46.19 44.66 3hmj s LEU 267 CO 0.25 -0.06 1.56 1.17 0.02 0.00 0.00 176.35 179.30 3hmj n LYS 268 N 4.29 0.12 0.00 1.70 4.81 0.82 -4.92 118.16 124.98 3hmj n LYS 268 Ca -0.08 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3hmj n LYS 268 Cb 0.51 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3hmj n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hmj n GLY 269 N -0.73 1.76 3.20 3.14 0.00 -1.25 -4.35 105.19 106.96 3hmj n GLY 269 Ca 0.01 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 3hmj n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmj s ALA 270 N -1.94 1.15 -0.22 4.61 0.00 0.05 -2.20 121.76 123.21 3hmj s ALA 270 Ca 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 49.99 3hmj s ALA 270 Cb 0.00 1.36 0.14 0.00 0.00 0.00 0.00 23.12 24.62 3hmj s ALA 270 CO 0.00 -0.58 1.10 0.99 0.00 0.00 0.00 175.76 177.27 3hmj s THR 271 N -4.15 0.00 0.27 0.00 2.01 -0.21 -2.42 115.64 111.14 3hmj s THR 271 Ca 0.38 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.48 3hmj s THR 271 Cb 0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3hmj s THR 271 CO 0.11 0.00 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.15 3hmj s GLY 272 N -0.62 1.72 -0.20 4.40 0.00 -1.26 -1.09 107.32 110.28 3hmj s GLY 272 Ca 0.02 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 42.95 3hmj s GLY 272 CO -0.04 -1.78 0.07 -1.58 0.00 0.00 0.00 173.10 169.77 3hmj s HIS 273 N -2.35 3.23 0.00 1.90 2.46 0.93 -4.08 115.29 117.38 3hmj s HIS 273 Ca 0.31 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.87 3hmj s HIS 273 Cb -0.06 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 3hmj s HIS 273 CO 0.18 0.08 0.00 0.45 -2.47 0.00 0.00 174.74 172.99 3hmj n SER 274 N 3.78 0.00 0.00 9.88 2.88 -1.26 -1.09 113.62 127.81 3hmj n SER 274 Ca -0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.49 3hmj n SER 274 Cb 0.52 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.60 3hmj n SER 274 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hmj n GLN 275 N 12.53 0.51 0.23 -1.46 10.64 -1.26 -2.47 117.38 136.09 3hmj n GLN 275 Ca 0.00 0.04 0.13 0.00 -1.83 0.00 0.00 57.00 55.34 3hmj n GLN 275 Cb 0.00 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 28.16 3hmj n GLN 275 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3hmj h GLY 276 N 3.62 0.00 0.41 2.61 0.00 -0.95 -3.22 103.07 105.55 3hmj h GLY 276 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3hmj h GLY 276 CO 0.00 0.00 0.36 -2.00 0.00 0.00 0.00 176.54 174.90 3hmj h LEU 277 N 0.00 0.45 -0.16 3.11 6.46 -1.63 -2.87 115.31 120.67 3hmj h LEU 277 Ca 0.00 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 3hmj h LEU 277 Cb 0.89 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 3hmj h LEU 277 CO 0.00 0.25 -0.40 0.58 -0.62 0.00 0.00 178.44 178.25 3hmj h VAL 278 N 0.59 0.17 0.00 1.05 2.07 -1.80 -1.87 116.25 116.46 3hmj h VAL 278 Ca 0.37 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.86 3hmj h VAL 278 Cb 0.42 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3hmj h VAL 278 CO -0.29 0.00 -0.16 0.71 0.02 0.00 0.00 177.57 177.85 3hmj h THR 279 N -0.46 1.06 0.01 2.57 1.35 -1.72 -1.66 112.91 114.06 3hmj h THR 279 Ca 0.09 -0.56 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3hmj h THR 279 Cb 0.61 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3hmj h THR 279 CO -0.40 0.16 -0.00 0.00 -0.25 0.00 0.00 175.52 175.02 3hmj h ALA 280 N 1.84 -0.01 0.02 6.62 0.00 -1.24 0.47 119.26 126.97 3hmj h ALA 280 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hmj h ALA 280 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hmj h ALA 280 CO 0.02 -0.37 -0.51 0.28 0.00 0.00 0.00 179.25 178.67 3hmj h VAL 281 N -0.27 0.00 0.00 0.00 2.07 -1.11 -2.48 116.25 114.46 3hmj h VAL 281 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hmj h VAL 281 Cb 0.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3hmj h VAL 281 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3hmj h ALA 282 N -0.51 1.92 -0.22 1.67 0.00 -1.15 -1.52 119.26 119.44 3hmj h ALA 282 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hmj h ALA 282 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hmj h ALA 282 CO -0.33 0.01 -0.39 0.97 0.00 0.00 0.00 179.25 179.52 3hmj h ILE 283 N 0.00 1.30 0.00 0.00 6.09 0.33 -2.98 117.51 122.25 3hmj h ILE 283 Ca -0.00 -1.53 0.00 0.00 -1.37 0.00 0.00 64.86 61.96 3hmj h ILE 283 Cb 0.01 1.55 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3hmj h ILE 283 CO 0.00 0.48 0.00 0.00 -3.07 0.00 0.00 178.15 175.56 3hmj h ALA 284 N 1.16 1.00 0.00 0.18 0.00 -0.84 -2.40 119.26 118.35 3hmj h ALA 284 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmj h ALA 284 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hmj h ALA 284 CO 0.07 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.71 3hmj n GLU 285 N -2.96 0.90 -3.60 0.00 1.02 -1.12 -2.31 120.64 112.56 3hmj n GLU 285 Ca 0.04 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 3hmj n GLU 285 Cb 0.48 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 30.66 3hmj n GLU 285 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3hmj s THR 286 N -2.00 5.23 0.00 2.62 -1.32 -0.91 -4.96 115.64 114.30 3hmj s THR 286 Ca 0.15 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.24 3hmj s THR 286 Cb 0.07 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 3hmj s THR 286 CO 0.12 0.54 0.00 -0.67 -2.21 0.00 0.00 174.62 172.40 3hmj n ASP 287 N 2.34 0.00 -4.72 8.08 -0.08 -1.26 -3.67 116.55 117.24 3hmj n ASP 287 Ca -0.15 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.88 3hmj n ASP 287 Cb 0.53 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.92 3hmj n ASP 287 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3hmj s SER 288 N 1.00 5.03 0.24 1.67 0.15 -1.26 -0.84 113.70 119.70 3hmj s SER 288 Ca 0.00 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.24 3hmj s SER 288 Cb 0.00 -1.15 0.43 0.00 -1.71 0.00 0.00 66.02 63.59 3hmj s SER 288 CO 0.00 0.05 1.66 -0.50 1.20 0.00 0.00 173.24 175.65 3hmj h TRP 289 N 2.32 0.07 -0.94 3.44 4.06 -1.98 0.80 115.95 123.72 3hmj h TRP 289 Ca -0.47 0.05 0.13 0.00 2.06 0.00 0.00 58.89 60.66 3hmj h TRP 289 Cb 1.21 0.08 -0.09 0.00 -1.00 0.00 0.00 29.16 29.37 3hmj h TRP 289 CO 0.61 -0.18 0.57 0.93 -3.56 0.00 0.00 178.44 176.81 3hmj h GLU 290 N 0.16 0.84 0.00 0.49 3.07 -2.05 -0.91 114.58 116.18 3hmj h GLU 290 Ca 0.40 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3hmj h GLU 290 Cb 0.71 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3hmj h GLU 290 CO -0.59 0.55 -0.25 0.45 -1.40 0.00 0.00 179.01 177.77 3hmj n SER 291 N -4.70 0.69 -0.03 1.42 2.88 0.24 -4.02 113.62 110.10 3hmj n SER 291 Ca 0.18 0.36 0.03 0.00 -1.33 0.00 0.00 58.87 58.11 3hmj n SER 291 Cb 0.38 -0.37 0.39 0.00 -0.75 0.00 0.00 64.21 63.86 3hmj n SER 291 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3hmj h PHE 292 N 0.00 0.57 -0.07 0.66 3.57 0.93 -3.10 116.94 119.50 3hmj h PHE 292 Ca 0.00 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3hmj h PHE 292 Cb 0.71 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3hmj h PHE 292 CO 0.00 0.38 -0.74 0.74 -2.23 0.00 0.00 178.31 176.46 3hmj h PHE 293 N 0.61 0.54 -0.06 0.41 -1.00 -1.70 -1.41 116.94 114.32 3hmj h PHE 293 Ca 0.16 -0.24 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 3hmj h PHE 293 Cb -0.03 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3hmj h PHE 293 CO 0.00 1.00 -0.34 -0.39 -1.61 0.00 0.00 178.31 176.97 3hmj h VAL 294 N 0.27 1.26 -0.54 -0.55 -1.51 -1.81 0.71 116.25 114.08 3hmj h VAL 294 Ca -0.03 -1.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.14 3hmj h VAL 294 Cb 1.32 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 3hmj h VAL 294 CO 0.13 0.37 0.16 -1.28 -1.23 0.00 0.00 177.57 175.71 3hmj h SER 295 N 0.11 0.79 -0.04 4.19 0.87 -1.42 -1.40 113.55 116.65 3hmj h SER 295 Ca 0.01 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3hmj h SER 295 Cb 0.65 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3hmj h SER 295 CO 0.05 0.80 -0.03 0.58 -0.53 0.00 0.00 176.83 177.70 3hmj h VAL 296 N 0.75 0.92 -0.56 2.23 2.07 -0.56 -2.27 116.25 118.82 3hmj h VAL 296 Ca 0.17 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.80 3hmj h VAL 296 Cb 0.29 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 3hmj h VAL 296 CO -0.00 0.00 0.06 -0.09 0.02 0.00 0.00 177.57 177.56 3hmj h ARG 297 N -0.03 0.18 -0.17 1.57 2.43 -0.68 -0.94 114.38 116.74 3hmj h ARG 297 Ca 0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3hmj h ARG 297 Cb 0.07 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hmj h ARG 297 CO -0.06 0.12 0.01 0.87 -1.51 0.00 0.00 179.97 179.40 3hmj h LYS 298 N 0.18 0.06 0.68 0.20 1.57 -1.01 -0.57 116.57 117.68 3hmj h LYS 298 Ca 0.29 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3hmj h LYS 298 Cb 0.44 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3hmj h LYS 298 CO -0.43 0.04 -0.33 0.00 -0.57 0.00 0.00 179.45 178.17 3hmj h ALA 299 N 1.14 -0.92 0.00 3.86 0.00 -0.73 -2.22 119.26 120.39 3hmj h ALA 299 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hmj h ALA 299 Cb 0.09 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hmj h ALA 299 CO -0.13 -1.01 -0.09 -0.84 0.00 0.00 0.00 179.25 177.19 3hmj h ILE 300 N -0.94 0.19 0.00 0.00 3.07 -1.17 -1.74 117.51 116.92 3hmj h ILE 300 Ca -0.09 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.34 3hmj h ILE 300 Cb 0.71 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 3hmj h ILE 300 CO 0.15 0.09 -0.19 0.00 -1.05 0.00 0.00 178.15 177.15 3hmj h THR 301 N 0.00 0.00 0.15 0.16 1.03 -1.07 -0.50 112.91 112.68 3hmj h THR 301 Ca -0.00 -0.88 -0.01 0.00 -0.01 0.00 0.00 66.41 65.51 3hmj h THR 301 Cb 0.82 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.68 3hmj h THR 301 CO 0.01 0.00 -0.07 0.58 -0.01 0.00 0.00 175.52 176.03 3hmj h VAL 302 N 0.00 0.69 -0.83 0.00 2.07 -0.81 -3.21 116.25 114.17 3hmj h VAL 302 Ca 0.00 -1.18 0.17 0.00 0.82 0.00 0.00 66.70 66.51 3hmj h VAL 302 Cb 0.94 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 3hmj h VAL 302 CO 0.00 0.20 0.36 -0.07 0.02 0.00 0.00 177.57 178.08 3hmj h LEU 303 N -0.94 0.36 -0.77 2.57 4.07 -1.32 0.14 115.31 119.41 3hmj h LEU 303 Ca -0.02 0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.12 3hmj h LEU 303 Cb 0.47 0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 3hmj h LEU 303 CO 0.03 0.10 0.46 0.15 -1.08 0.00 0.00 178.44 178.11 3hmj h PHE 304 N 0.48 0.85 -0.08 1.13 3.04 -1.21 0.11 116.94 121.26 3hmj h PHE 304 Ca 0.47 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 62.21 3hmj h PHE 304 Cb 0.77 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 39.02 3hmj h PHE 304 CO -0.14 0.43 -0.90 0.74 -2.02 0.00 0.00 178.31 176.42 3hmj h PHE 305 N 0.85 1.02 0.05 0.41 0.04 -1.12 -0.02 116.94 118.16 3hmj h PHE 305 Ca 0.34 -0.50 0.03 0.00 2.80 0.00 0.00 57.97 60.63 3hmj h PHE 305 Cb 0.16 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 3hmj h PHE 305 CO -0.05 1.33 -0.39 0.82 -0.60 0.00 0.00 178.31 179.42 3hmj h ILE 306 N 0.46 0.19 0.13 -0.55 2.04 -0.70 -0.60 117.51 118.48 3hmj h ILE 306 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3hmj h ILE 306 Cb 1.54 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3hmj h ILE 306 CO 0.18 0.00 -0.45 1.23 0.00 0.00 0.00 178.15 179.11 3hmj h GLY 307 N -0.58 -0.93 0.98 5.37 0.00 -0.75 -0.35 103.07 106.81 3hmj h GLY 307 Ca 0.04 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 3hmj h GLY 307 CO -0.28 -0.27 0.28 -2.08 0.00 0.00 0.00 176.54 174.19 3hmj h VAL 308 N -0.69 1.19 0.02 4.60 2.07 -0.89 -2.03 116.25 120.52 3hmj h VAL 308 Ca 0.01 -0.49 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 3hmj h VAL 308 Cb 0.71 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3hmj h VAL 308 CO -0.25 0.20 -1.01 0.03 0.02 0.00 0.00 177.57 176.56 3hmj h ARG 309 N 0.70 0.44 0.00 1.57 2.47 -1.04 -2.60 114.38 115.92 3hmj h ARG 309 Ca 0.18 -0.51 -0.12 0.00 -1.26 0.00 0.00 59.98 58.28 3hmj h ARG 309 Cb 0.07 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3hmj h ARG 309 CO -0.03 1.16 -0.57 0.00 0.56 0.00 0.00 179.97 181.10 3hmj h TYR 311 N 0.00 0.25 -0.86 0.00 3.20 -1.36 -2.46 116.97 115.73 3hmj h TYR 311 Ca -0.01 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.86 3hmj h TYR 311 Cb 1.08 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 3hmj h TYR 311 CO 0.00 0.51 0.54 0.93 -1.64 0.00 0.00 178.16 178.50 3hmj h GLU 312 N -0.09 0.99 0.28 1.82 5.08 -1.26 -2.47 114.58 118.92 3hmj h GLU 312 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hmj h GLU 312 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hmj h GLU 312 CO 0.01 0.65 -0.19 0.00 -1.00 0.00 0.00 179.01 178.48 3hmj h ALA 313 N 1.39 -0.45 -3.12 3.43 0.00 -1.18 -3.40 119.26 115.93 3hmj h ALA 313 Ca 0.36 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.67 3hmj h ALA 313 Cb 0.11 0.25 -0.40 0.00 0.00 0.00 0.00 17.79 17.74 3hmj h ALA 313 CO -0.15 -0.77 -0.76 -0.47 0.00 0.00 0.00 179.25 177.10 3hmj s TYR 314 N -6.11 0.81 -0.02 0.00 5.04 -0.93 -5.01 117.35 111.13 3hmj s TYR 314 Ca -0.15 -0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 53.52 3hmj s TYR 314 Cb 0.06 -1.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.29 3hmj s TYR 314 CO 0.64 -0.67 0.27 -2.14 -1.34 0.00 0.00 175.55 172.32 3hmj s PRO 315 N 1.93 3.62 0.22 4.97 0.02 -1.06 -4.57 135.00 140.13 3hmj s PRO 315 Ca 0.03 0.01 -0.30 0.00 0.02 0.00 0.00 61.00 60.76 3hmj s PRO 315 Cb -0.17 -3.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 3hmj s PRO 315 CO -0.16 0.68 1.36 0.54 -0.33 0.00 0.00 177.00 179.08 3hmj s ASN 316 N -1.46 6.81 0.53 2.53 2.20 -1.26 -5.03 114.94 119.25 3hmj s ASN 316 Ca 0.24 2.50 0.07 0.00 -0.94 0.00 0.00 52.86 54.74 3hmj s ASN 316 Cb -0.14 -2.61 0.04 0.00 -2.00 0.00 0.00 41.25 36.54 3hmj s ASN 316 CO 0.13 -0.59 0.53 0.42 -2.94 0.00 0.00 177.10 174.65 3hmj s THR 317 N 0.07 2.05 0.06 0.54 -4.23 -1.26 -5.08 115.64 107.78 3hmj s THR 317 Ca 0.58 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 3hmj s THR 317 Cb -0.38 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3hmj s THR 317 CO 0.40 0.00 1.12 -0.44 -0.54 0.00 0.00 174.62 175.16 3hmj s SER 318 N -4.38 7.19 -0.10 3.99 0.01 -1.26 -5.00 113.70 114.14 3hmj s SER 318 Ca 0.46 1.93 -0.29 0.00 1.31 0.00 0.00 55.95 59.37 3hmj s SER 318 Cb -0.04 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 3hmj s SER 318 CO 0.29 -0.37 0.97 -0.76 0.41 0.00 0.00 173.24 173.77 3hmj s LEU 319 N 0.82 4.25 -0.17 2.44 2.01 -1.26 -4.97 118.68 121.80 3hmj s LEU 319 Ca 0.55 1.48 -0.38 0.00 0.01 0.00 0.00 54.13 55.80 3hmj s LEU 319 Cb -0.27 -3.50 -0.14 0.00 0.01 0.00 0.00 46.19 42.29 3hmj s LEU 319 CO 0.30 -0.41 1.75 -2.65 1.01 0.00 0.00 176.35 176.35 3hmj n PRO 320 N 4.86 1.51 0.27 1.29 -0.02 -1.26 -4.77 135.00 136.88 3hmj n PRO 320 Ca 0.07 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 3hmj n PRO 320 Cb 0.49 -2.28 0.93 0.00 -0.02 0.00 0.00 33.50 32.62 3hmj n PRO 320 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hmj h PRO 321 N 7.56 0.00 -0.64 0.52 0.11 -2.00 -0.31 132.00 137.24 3hmj h PRO 321 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3hmj h PRO 321 Cb 1.30 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3hmj h PRO 321 CO 0.94 0.00 0.07 0.66 -0.21 0.00 0.00 178.00 179.46 3hmj h SER 322 N 0.00 1.05 0.43 -2.05 4.64 -1.99 0.01 113.55 115.64 3hmj h SER 322 Ca 0.04 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3hmj h SER 322 Cb 0.29 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hmj h SER 322 CO -0.00 1.07 -0.21 0.40 -0.87 0.00 0.00 176.83 177.22 3hmj h ILE 323 N 1.00 0.43 -0.82 0.95 2.04 -1.41 -1.87 117.51 117.82 3hmj h ILE 323 Ca 0.19 -0.54 0.20 0.00 1.00 0.00 0.00 64.86 65.71 3hmj h ILE 323 Cb 0.49 0.63 -0.13 0.00 -0.74 0.00 0.00 36.82 37.06 3hmj h ILE 323 CO 0.02 0.08 0.17 0.25 0.00 0.00 0.00 178.15 178.67 3hmj h LEU 324 N -0.95 -0.07 0.01 1.44 5.85 -1.49 0.30 115.31 120.40 3hmj h LEU 324 Ca -0.06 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3hmj h LEU 324 Cb 0.56 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3hmj h LEU 324 CO 0.10 -0.13 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.48 3hmj h GLU 325 N 0.20 -0.38 -0.18 1.25 5.08 -0.90 -1.93 114.58 117.71 3hmj h GLU 325 Ca 0.49 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.83 3hmj h GLU 325 Cb 0.94 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3hmj h GLU 325 CO -0.63 -0.26 -0.06 0.22 -1.00 0.00 0.00 179.01 177.28 3hmj h ASP 326 N -0.40 0.37 -0.11 1.42 3.58 -0.28 -2.34 116.42 118.65 3hmj h ASP 326 Ca 0.06 -0.39 0.03 0.00 0.42 0.00 0.00 57.03 57.15 3hmj h ASP 326 Cb 0.48 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 3hmj h ASP 326 CO -0.22 0.67 0.13 -1.28 -2.88 0.00 0.00 179.24 175.67 3hmj h SER 327 N 0.06 0.00 0.13 2.28 0.87 -0.42 -2.31 113.55 114.16 3hmj h SER 327 Ca 0.04 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 3hmj h SER 327 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hmj h SER 327 CO 0.02 0.00 -0.99 -0.07 -0.53 0.00 0.00 176.83 175.27 3hmj h LEU 328 N 0.00 0.43 0.00 2.23 3.38 -1.01 -2.70 115.31 117.64 3hmj h LEU 328 Ca 0.05 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3hmj h LEU 328 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hmj h LEU 328 CO -0.00 1.45 0.00 -1.84 0.09 0.00 0.00 178.44 178.14 3hmj n GLU 329 N -4.08 0.86 -0.63 1.13 0.28 -0.91 -2.27 120.64 115.02 3hmj n GLU 329 Ca -0.17 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.86 3hmj n GLU 329 Cb 0.84 -1.43 0.25 0.00 1.43 0.00 0.00 31.44 32.53 3hmj n GLU 329 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hmj n ASN 330 N -0.93 3.72 -0.61 -1.84 3.02 -0.90 -4.97 115.26 112.75 3hmj n ASN 330 Ca 0.18 -3.23 -0.08 0.00 -0.03 0.00 0.00 54.58 51.42 3hmj n ASN 330 Cb 0.08 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 3hmj n ASN 330 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hmj n ASN 331 N -0.60 -5.63 -4.60 6.41 3.02 -0.96 -4.95 115.26 107.95 3hmj n ASN 331 Ca 0.28 0.19 -0.24 0.00 -0.03 0.00 0.00 54.58 54.78 3hmj n ASN 331 Cb 1.01 -3.92 0.12 0.00 -0.61 0.00 0.00 39.78 36.39 3hmj n ASN 331 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hmj s GLU 332 N -2.62 1.51 0.00 3.52 2.02 -1.02 -5.00 118.70 117.10 3hmj s GLU 332 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.88 3hmj s GLU 332 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3hmj s GLU 332 CO 0.00 -1.59 0.00 0.41 0.02 0.00 0.00 175.26 174.10 3hmj n GLY 333 N -2.95 -1.93 3.43 -1.39 0.00 -1.26 -4.48 105.19 96.61 3hmj n GLY 333 Ca 0.16 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 3hmj n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmj s VAL 334 N -0.64 4.82 -0.16 1.61 1.01 -1.26 -4.34 120.40 121.44 3hmj s VAL 334 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3hmj s VAL 334 Cb 0.00 -4.37 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 3hmj s VAL 334 CO 0.00 -0.92 0.71 -2.65 0.00 0.00 0.00 175.10 172.24 3hmj n PRO 335 N 6.33 0.00 -4.26 2.72 -0.02 -1.26 -4.90 135.00 133.61 3hmj n PRO 335 Ca -0.07 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.24 3hmj n PRO 335 Cb 0.45 -0.76 -0.09 0.00 -0.02 0.00 0.00 33.50 33.08 3hmj n PRO 335 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hmj s SER 336 N 0.95 1.18 0.00 2.55 1.04 -1.26 -5.01 113.70 113.15 3hmj s SER 336 Ca 0.50 -1.62 0.16 0.00 0.48 0.00 0.00 55.95 55.47 3hmj s SER 336 Cb -0.72 0.48 0.84 0.00 0.10 0.00 0.00 66.02 66.73 3hmj s SER 336 CO 0.37 -0.97 1.43 -2.65 0.98 0.00 0.00 173.24 172.39 3hmj n PRO 337 N -0.51 0.30 -3.69 4.02 -0.02 -1.26 -4.45 135.00 129.39 3hmj n PRO 337 Ca 0.05 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.38 3hmj n PRO 337 Cb 0.64 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.45 3hmj n PRO 337 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hmj s MET 338 N -2.41 0.32 -0.06 -0.52 -1.94 -1.26 -1.99 119.30 111.44 3hmj s MET 338 Ca 0.18 -0.04 -0.06 0.00 -1.71 0.00 0.00 55.69 54.06 3hmj s MET 338 Cb 0.11 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 3hmj s MET 338 CO 0.22 -0.51 0.18 -1.17 -0.01 0.00 0.00 175.02 173.73 3hmj s LEU 339 N 2.03 4.38 -0.17 -0.03 0.20 -0.08 -0.82 118.68 124.19 3hmj s LEU 339 Ca 0.02 0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.31 3hmj s LEU 339 Cb -0.15 -2.35 0.02 0.00 -0.43 0.00 0.00 46.19 43.28 3hmj s LEU 339 CO -0.07 0.34 -0.19 -0.94 -0.29 0.00 0.00 176.35 175.20 3hmj s SER 340 N -1.43 3.22 -0.16 3.68 1.04 0.16 -0.91 113.70 119.30 3hmj s SER 340 Ca 0.21 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 3hmj s SER 340 Cb -0.13 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 3hmj s SER 340 CO 0.11 0.02 -0.05 -0.63 0.98 0.00 0.00 173.24 173.66 3hmj s ILE 341 N 1.20 3.67 0.04 -1.02 1.01 -0.90 -2.37 121.20 122.83 3hmj s ILE 341 Ca 0.02 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.33 3hmj s ILE 341 Cb -0.14 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3hmj s ILE 341 CO -0.10 0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.65 3hmj s SER 342 N 0.56 3.36 -0.82 3.58 0.01 -0.56 -1.55 113.70 118.28 3hmj s SER 342 Ca -0.04 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.69 3hmj s SER 342 Cb -0.15 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.69 3hmj s SER 342 CO 0.03 0.26 0.00 -3.20 0.41 0.00 0.00 173.24 170.74 3hmj n ASN 343 N 1.76 -3.74 -4.27 2.44 2.85 -0.38 -2.95 115.26 110.97 3hmj n ASN 343 Ca -0.17 0.15 -0.31 0.00 -0.11 0.00 0.00 54.58 54.14 3hmj n ASN 343 Cb 0.52 -2.19 -0.16 0.00 1.24 0.00 0.00 39.78 39.18 3hmj n ASN 343 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3hmj s LEU 344 N -1.95 2.06 0.56 1.20 1.02 -0.91 -4.92 118.68 115.74 3hmj s LEU 344 Ca 0.00 -0.51 -0.18 0.00 0.02 0.00 0.00 54.13 53.47 3hmj s LEU 344 Cb 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 46.19 44.73 3hmj s LEU 344 CO 0.00 0.25 0.16 0.41 0.02 0.00 0.00 176.35 177.18 3hmj n THR 345 N 2.93 1.03 -0.34 5.49 -1.04 -1.26 -4.44 114.28 116.64 3hmj n THR 345 Ca -0.17 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.05 61.32 3hmj n THR 345 Cb 0.52 -0.32 0.10 0.00 -1.82 0.00 0.00 70.33 68.81 3hmj n THR 345 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3hmj h GLN 346 N 0.05 1.21 0.14 -2.82 4.15 -1.91 -0.60 115.11 115.32 3hmj h GLN 346 Ca -0.43 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3hmj h GLN 346 Cb 1.42 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3hmj h GLN 346 CO 0.43 0.80 -0.07 1.49 -1.93 0.00 0.00 178.83 179.56 3hmj h GLU 347 N 1.25 -0.18 0.02 1.69 4.81 -1.96 -0.79 114.58 119.43 3hmj h GLU 347 Ca 0.34 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3hmj h GLU 347 Cb -0.13 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3hmj h GLU 347 CO -0.08 -0.11 -0.40 1.96 -0.73 0.00 0.00 179.01 179.65 3hmj h GLN 348 N -0.19 -0.55 -0.03 1.92 4.20 -1.83 -0.49 115.11 118.13 3hmj h GLN 348 Ca -0.02 0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3hmj h GLN 348 Cb 0.15 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3hmj h GLN 348 CO 0.03 -0.37 -0.48 0.28 -0.67 0.00 0.00 178.83 177.62 3hmj h VAL 349 N -0.57 0.07 -0.80 -0.54 2.07 -1.07 -1.79 116.25 113.61 3hmj h VAL 349 Ca 0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.79 3hmj h VAL 349 Cb 0.64 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3hmj h VAL 349 CO -0.29 0.00 0.57 -0.61 0.02 0.00 0.00 177.57 177.26 3hmj h GLN 350 N -0.61 0.04 0.51 1.57 5.75 -0.80 -0.99 115.11 120.58 3hmj h GLN 350 Ca 0.04 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3hmj h GLN 350 Cb 0.69 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3hmj h GLN 350 CO -0.36 0.03 -0.24 0.22 -2.65 0.00 0.00 178.83 175.83 3hmj h ASP 351 N 0.05 -0.58 -0.92 -0.69 3.58 -0.21 -0.16 116.42 117.49 3hmj h ASP 351 Ca 0.39 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.84 3hmj h ASP 351 Cb 1.47 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.62 3hmj h ASP 351 CO -0.02 -0.34 0.61 1.88 -2.88 0.00 0.00 179.24 178.48 3hmj h TYR 352 N -0.78 1.13 -0.30 0.28 -1.99 -0.93 -1.78 116.97 112.60 3hmj h TYR 352 Ca -0.07 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.54 3hmj h TYR 352 Cb 0.57 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3hmj h TYR 352 CO -0.02 0.68 -0.42 -0.39 -0.00 0.00 0.00 178.16 178.01 3hmj h VAL 353 N 1.19 1.29 -0.70 -2.88 -1.51 -1.36 -0.94 116.25 111.35 3hmj h VAL 353 Ca 0.36 -1.60 -0.00 0.00 -1.23 0.00 0.00 66.70 64.22 3hmj h VAL 353 Cb -0.04 1.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.60 3hmj h VAL 353 CO -0.10 0.52 0.42 0.78 -1.23 0.00 0.00 177.57 177.96 3hmj h ASN 354 N 0.60 0.83 0.44 4.19 2.35 -0.46 0.17 115.58 123.71 3hmj h ASN 354 Ca 0.04 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3hmj h ASN 354 Cb 0.97 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3hmj h ASN 354 CO 0.09 0.64 -0.21 0.11 -1.65 0.00 0.00 177.43 176.41 3hmj h LYS 355 N 0.96 -0.58 -0.36 0.81 1.57 -1.12 -2.12 116.57 115.74 3hmj h LYS 355 Ca 0.25 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 3hmj h LYS 355 Cb -0.04 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 3hmj h LYS 355 CO -0.05 -0.28 0.00 1.15 -0.57 0.00 0.00 179.45 179.71 3hmj h THR 356 N -0.84 0.74 0.00 -0.16 2.02 -0.85 -0.73 112.91 113.09 3hmj h THR 356 Ca -0.06 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3hmj h THR 356 Cb 0.56 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3hmj h THR 356 CO 0.10 0.02 -0.04 0.78 0.37 0.00 0.00 175.52 176.75 3hmj h ASN 357 N 0.10 0.00 -0.77 4.18 2.35 -0.70 -2.47 115.58 118.27 3hmj h ASN 357 Ca 0.17 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.10 3hmj h ASN 357 Cb 0.24 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.48 3hmj h ASN 357 CO -0.29 0.04 0.07 -1.28 -1.65 0.00 0.00 177.43 174.32 3hmj h SER 358 N 0.00 -0.23 -0.06 5.81 0.87 -0.41 -2.04 113.55 117.49 3hmj h SER 358 Ca -0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3hmj h SER 358 Cb 0.09 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3hmj h SER 358 CO 0.00 -0.15 0.00 1.41 -0.53 0.00 0.00 176.83 177.56 3hmj n HIS 359 N -5.30 0.07 -4.25 2.24 8.25 -0.93 -4.91 115.22 110.40 3hmj n HIS 359 Ca 0.15 -0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.30 3hmj n HIS 359 Cb 0.51 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 3hmj n HIS 359 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hmj s LEU 360 N -1.86 3.08 0.79 2.41 1.43 -0.77 -5.12 118.68 118.65 3hmj s LEU 360 Ca 0.37 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3hmj s LEU 360 Cb 0.20 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.70 3hmj s LEU 360 CO 0.31 0.12 1.11 -2.84 0.23 0.00 0.00 176.35 175.28 3hmj s PRO 361 N -2.69 2.02 0.17 1.29 0.02 -1.26 -4.92 135.00 129.63 3hmj s PRO 361 Ca 0.25 1.29 -0.25 0.00 0.02 0.00 0.00 61.00 62.31 3hmj s PRO 361 Cb -0.10 -1.86 0.06 0.00 0.02 0.00 0.00 34.50 32.62 3hmj s PRO 361 CO 0.16 -1.84 1.57 0.00 -0.33 0.00 0.00 177.00 176.56 3hmj h ALA 362 N -1.17 -0.27 0.00 -1.55 0.00 -2.00 -1.81 119.26 112.47 3hmj h ALA 362 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hmj h ALA 362 Cb 1.24 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3hmj h ALA 362 CO 0.49 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3hmj n GLY 363 N -1.41 -0.45 0.09 0.00 0.00 -1.26 -2.21 105.19 99.96 3hmj n GLY 363 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3hmj n GLY 363 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hmj n LYS 364 N -0.84 1.55 -3.36 1.61 5.02 -0.68 -4.93 118.16 116.53 3hmj n LYS 364 Ca 0.07 -1.68 -0.31 0.00 -2.02 0.00 0.00 58.31 54.37 3hmj n LYS 364 Cb 0.03 -1.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3hmj n LYS 364 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hmj s GLN 365 N -1.40 3.79 -0.01 1.97 -0.21 -0.94 -4.70 119.66 118.16 3hmj s GLN 365 Ca 0.11 0.27 0.05 0.00 0.02 0.00 0.00 55.36 55.81 3hmj s GLN 365 Cb 0.10 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 3hmj s GLN 365 CO 0.01 0.28 -0.14 0.14 -2.12 0.00 0.00 175.29 173.46 3hmj s VAL 366 N -1.89 3.12 0.23 1.09 -7.23 -1.26 -4.55 120.40 109.91 3hmj s VAL 366 Ca 0.48 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 3hmj s VAL 366 Cb -0.11 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 3hmj s VAL 366 CO 0.23 0.47 -0.00 -1.83 -0.31 0.00 0.00 175.10 173.65 3hmj s GLU 367 N -1.12 1.35 -0.04 4.82 -1.05 -0.69 -4.90 118.70 117.07 3hmj s GLU 367 Ca 0.14 -1.68 -0.30 0.00 -0.15 0.00 0.00 54.97 52.98 3hmj s GLU 367 Cb -0.11 -0.63 -0.05 0.00 -0.44 0.00 0.00 34.13 32.90 3hmj s GLU 367 CO 0.04 -0.10 1.48 0.96 0.95 0.00 0.00 175.26 178.59 3hmj s ILE 368 N -3.41 3.71 -0.25 1.83 -5.25 -1.26 0.31 121.20 116.88 3hmj s ILE 368 Ca 0.29 1.00 -0.09 0.00 -0.99 0.00 0.00 60.65 60.86 3hmj s ILE 368 Cb 0.06 -3.64 -0.16 0.00 2.95 0.00 0.00 42.46 41.67 3hmj s ILE 368 CO 0.09 -0.04 -0.20 -1.20 -1.79 0.00 0.00 174.94 171.80 3hmj n SER 369 N 6.14 1.97 -4.04 4.36 7.64 0.21 -4.81 113.62 125.09 3hmj n SER 369 Ca 0.15 0.18 -0.27 0.00 1.01 0.00 0.00 58.87 59.93 3hmj n SER 369 Cb 0.43 -0.70 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 3hmj n SER 369 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hmj s LEU 370 N -7.18 1.66 -1.04 -3.43 1.43 -0.98 -2.14 118.68 107.00 3hmj s LEU 370 Ca -0.35 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3hmj s LEU 370 Cb 0.11 -0.98 0.30 0.00 0.03 0.00 0.00 46.19 45.66 3hmj s LEU 370 CO 0.56 0.02 1.35 0.52 0.23 0.00 0.00 176.35 179.03 3hmj n VAL 371 N 4.08 4.91 0.25 -1.59 0.31 -0.73 -0.96 118.33 124.61 3hmj n VAL 371 Ca -0.20 -5.79 0.17 0.00 -0.01 0.00 0.00 64.34 58.51 3hmj n VAL 371 Cb 0.51 -2.14 0.89 0.00 -0.91 0.00 0.00 33.84 32.20 3hmj n VAL 371 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hmj h ASN 372 N 5.46 0.00 0.00 4.52 2.35 -1.73 -3.08 115.58 123.10 3hmj h ASN 372 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3hmj h ASN 372 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3hmj h ASN 372 CO 1.24 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.63 3hmj n GLY 373 N -1.19 -0.83 0.00 2.83 0.00 -0.91 -4.56 105.19 100.53 3hmj n GLY 373 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3hmj n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmj n ALA 374 N 0.00 -0.14 -0.15 4.61 0.00 -1.26 -3.57 120.51 120.01 3hmj n ALA 374 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3hmj n ALA 374 Cb 0.00 0.10 0.24 0.00 0.00 0.00 0.00 19.45 19.79 3hmj n ALA 374 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hmj n LYS 375 N -1.26 2.63 -3.51 0.00 5.02 -1.26 -4.29 118.16 115.49 3hmj n LYS 375 Ca 0.00 -2.36 -0.40 0.00 -2.02 0.00 0.00 58.31 53.54 3hmj n LYS 375 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 3hmj n LYS 375 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hmj s ASN 376 N -1.09 6.09 0.40 4.39 3.04 -1.23 -1.25 114.94 125.28 3hmj s ASN 376 Ca 0.38 -0.22 0.03 0.00 0.04 0.00 0.00 52.86 53.10 3hmj s ASN 376 Cb 0.21 -2.15 -0.03 0.00 -1.54 0.00 0.00 41.25 37.73 3hmj s ASN 376 CO 0.27 -0.21 0.09 -0.76 -3.04 0.00 0.00 177.10 173.46 3hmj s LEU 377 N 1.82 2.08 -0.20 3.21 1.02 -0.59 -2.15 118.68 123.88 3hmj s LEU 377 Ca 0.08 -1.60 -0.04 0.00 0.02 0.00 0.00 54.13 52.60 3hmj s LEU 377 Cb -0.17 -0.26 0.10 0.00 0.02 0.00 0.00 46.19 45.88 3hmj s LEU 377 CO 0.11 -0.84 0.27 -0.69 0.02 0.00 0.00 176.35 175.22 3hmj s VAL 378 N -3.18 -0.42 0.31 -1.59 1.01 -0.13 -2.11 120.40 114.28 3hmj s VAL 378 Ca 0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3hmj s VAL 378 Cb 0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 3hmj s VAL 378 CO 0.13 -0.11 0.63 -0.69 0.00 0.00 0.00 175.10 175.06 3hmj s VAL 379 N 2.41 4.89 -0.13 2.92 1.01 -0.09 0.66 120.40 132.07 3hmj s VAL 379 Ca 0.07 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 3hmj s VAL 379 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.59 3hmj s VAL 379 CO -0.12 -0.29 0.40 -0.55 0.00 0.00 0.00 175.10 174.54 3hmj s SER 380 N -2.82 -0.39 0.00 3.32 0.15 0.15 -0.90 113.70 113.21 3hmj s SER 380 Ca 0.48 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.83 3hmj s SER 380 Cb -0.11 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3hmj s SER 380 CO 0.26 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3hmj n GLY 381 N 2.55 -0.61 3.71 9.45 0.00 -0.84 -1.71 105.19 117.74 3hmj n GLY 381 Ca -0.15 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 3hmj n GLY 381 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hmj n PRO 382 N 0.00 1.87 -0.24 1.61 -0.02 -1.26 -4.43 135.00 132.53 3hmj n PRO 382 Ca 0.00 0.67 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3hmj n PRO 382 Cb 0.00 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.10 3hmj n PRO 382 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hmj h PRO 383 N 1.90 0.82 -0.63 0.52 0.11 -1.90 -1.69 132.00 131.13 3hmj h PRO 383 Ca -0.49 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3hmj h PRO 383 Cb 1.30 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3hmj h PRO 383 CO 0.59 0.55 0.16 0.37 -0.21 0.00 0.00 178.00 179.45 3hmj h GLN 384 N 0.85 1.01 0.00 1.05 4.15 -1.90 0.55 115.11 120.82 3hmj h GLN 384 Ca 0.26 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3hmj h GLN 384 Cb -0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3hmj h GLN 384 CO -0.09 0.91 -0.43 0.66 -1.93 0.00 0.00 178.83 177.96 3hmj h SER 385 N 0.93 0.00 0.52 -0.69 4.64 -1.82 -1.84 113.55 115.28 3hmj h SER 385 Ca 0.20 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 3hmj h SER 385 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3hmj h SER 385 CO 0.00 0.43 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.77 3hmj h LEU 386 N 0.00 0.04 -0.96 5.97 3.38 -0.74 -2.27 115.31 120.72 3hmj h LEU 386 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3hmj h LEU 386 Cb 1.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3hmj h LEU 386 CO 0.06 0.58 -0.35 0.22 0.09 0.00 0.00 178.44 179.04 3hmj h TYR 387 N 0.03 0.36 -0.20 1.13 3.20 -0.36 -1.86 116.97 119.26 3hmj h TYR 387 Ca -0.00 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 3hmj h TYR 387 Cb 0.99 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3hmj h TYR 387 CO 0.00 0.63 0.03 0.78 -1.64 0.00 0.00 178.16 177.97 3hmj h GLY 388 N 1.12 0.36 0.58 1.82 0.00 -0.92 -1.75 103.07 104.28 3hmj h GLY 388 Ca 0.03 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.24 3hmj h GLY 388 CO 0.06 0.22 0.59 -2.00 0.00 0.00 0.00 176.54 175.41 3hmj h LEU 389 N 0.13 0.78 -1.73 3.11 6.46 -1.34 -1.77 115.31 120.95 3hmj h LEU 389 Ca 0.06 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3hmj h LEU 389 Cb 0.31 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3hmj h LEU 389 CO 0.00 0.43 -0.04 -1.13 -0.62 0.00 0.00 178.44 177.08 3hmj h ASN 390 N 0.85 0.11 0.13 1.25 -1.24 -0.48 -1.72 115.58 114.47 3hmj h ASN 390 Ca 0.45 -0.01 -0.19 0.00 0.71 0.00 0.00 56.30 57.26 3hmj h ASN 390 Cb 0.54 -0.03 0.02 0.00 0.73 0.00 0.00 38.32 39.58 3hmj h ASN 390 CO -0.21 0.17 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.17 3hmj h LEU 391 N 0.12 0.42 -1.91 0.34 3.38 -0.72 -2.17 115.31 114.77 3hmj h LEU 391 Ca 0.03 -0.94 0.03 0.00 0.09 0.00 0.00 57.88 57.09 3hmj h LEU 391 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hmj h LEU 391 CO 0.01 1.40 0.12 0.00 0.09 0.00 0.00 178.44 180.06 3hmj h THR 392 N -0.41 0.97 -0.01 0.22 1.03 -1.27 -1.47 112.91 111.98 3hmj h THR 392 Ca -0.16 -0.04 -0.23 0.00 -0.01 0.00 0.00 66.41 65.97 3hmj h THR 392 Cb 1.62 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 3hmj h THR 392 CO 0.13 0.02 -0.94 -0.07 -0.01 0.00 0.00 175.52 174.65 3hmj h LEU 393 N 0.11 0.59 -2.44 0.00 3.38 -1.34 -3.32 115.31 112.29 3hmj h LEU 393 Ca 0.08 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hmj h LEU 393 Cb 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hmj h LEU 393 CO -0.01 1.26 0.03 -0.09 0.09 0.00 0.00 178.44 179.72 3hmj h ARG 394 N 0.26 0.00 0.00 1.13 2.43 -0.58 -1.03 114.38 116.60 3hmj h ARG 394 Ca -0.08 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 3hmj h ARG 394 Cb 1.57 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.08 3hmj h ARG 394 CO 0.17 0.00 -1.67 1.63 -1.51 0.00 0.00 179.97 178.58 3hmj n LYS 395 N -3.83 0.63 0.09 0.20 5.02 -1.22 -4.20 118.16 114.85 3hmj n LYS 395 Ca -0.02 0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 3hmj n LYS 395 Cb 0.12 -1.76 0.45 0.00 -0.02 0.00 0.00 35.03 33.82 3hmj n LYS 395 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hmj n ALA 396 N -2.50 2.16 -1.71 7.82 0.00 -0.41 -4.87 120.51 121.00 3hmj n ALA 396 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3hmj n ALA 396 Cb 0.95 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3hmj n ALA 396 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hmj n LYS 397 N -2.11 3.44 -3.62 0.00 2.85 -1.09 -4.65 118.16 112.98 3hmj n LYS 397 Ca 0.05 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.16 3hmj n LYS 397 Cb 0.37 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.68 3hmj n LYS 397 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hmj s ALA 398 N -3.14 -1.61 0.21 0.58 0.00 -1.11 -4.81 121.76 111.87 3hmj s ALA 398 Ca 0.00 1.64 -0.32 0.00 0.00 0.00 0.00 51.96 53.28 3hmj s ALA 398 Cb 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 23.12 22.23 3hmj s ALA 398 CO 0.00 -0.32 1.33 -2.30 0.00 0.00 0.00 175.76 174.46 3hmj n PRO 399 N 2.20 1.70 0.02 0.00 -0.02 -1.26 -4.73 135.00 132.92 3hmj n PRO 399 Ca -0.16 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3hmj n PRO 399 Cb 0.56 -2.21 0.45 0.00 -0.02 0.00 0.00 33.50 32.28 3hmj n PRO 399 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hmj h SER 400 N 4.01 0.41 -1.09 2.55 4.64 -1.99 -2.52 113.55 119.56 3hmj h SER 400 Ca -0.44 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.19 3hmj h SER 400 Cb 1.30 -0.10 -0.31 0.00 -0.31 0.00 0.00 62.40 62.98 3hmj h SER 400 CO 0.74 0.29 0.66 0.61 -0.87 0.00 0.00 176.83 178.26 3hmj n GLY 401 N -1.49 5.91 0.27 -0.77 0.00 -1.26 -4.67 105.19 103.17 3hmj n GLY 401 Ca 0.03 -2.38 0.14 0.00 0.00 0.00 0.00 46.02 43.80 3hmj n GLY 401 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hmj h LEU 402 N 2.15 0.00 -2.88 0.99 7.12 -1.82 -3.47 115.31 117.39 3hmj h LEU 402 Ca 0.57 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.40 3hmj h LEU 402 Cb 0.81 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 3hmj h LEU 402 CO 1.46 0.11 -0.45 -0.67 -0.13 0.00 0.00 178.44 178.76 3hmj n ASP 403 N -3.46 -6.72 -1.70 1.25 2.03 -1.26 -4.86 116.55 101.83 3hmj n ASP 403 Ca -0.01 -0.35 -0.12 0.00 0.52 0.00 0.00 54.79 54.83 3hmj n ASP 403 Cb 0.27 -3.94 0.13 0.00 -0.72 0.00 0.00 41.12 36.85 3hmj n ASP 403 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hmj n GLN 404 N -1.93 1.97 0.25 -0.67 6.02 -1.26 -4.40 117.38 117.36 3hmj n GLN 404 Ca -0.11 -1.85 0.16 0.00 -0.01 0.00 0.00 57.00 55.19 3hmj n GLN 404 Cb 0.57 -1.75 0.61 0.00 1.02 0.00 0.00 30.24 30.69 3hmj n GLN 404 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hmj h SER 405 N 0.85 0.00 -0.37 1.08 4.64 -1.99 -2.26 113.55 115.50 3hmj h SER 405 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3hmj h SER 405 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3hmj h SER 405 CO 0.63 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.13 3hmj n ARG 406 N -2.93 2.34 -3.59 4.77 5.12 -1.26 -4.54 116.66 116.57 3hmj n ARG 406 Ca 0.01 -2.10 -0.37 0.00 -1.93 0.00 0.00 57.85 53.47 3hmj n ARG 406 Cb 0.31 -1.40 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 3hmj n ARG 406 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hmj s ILE 407 N -1.16 5.28 0.36 0.55 1.01 -0.85 -5.06 121.20 121.33 3hmj s ILE 407 Ca 0.31 0.55 -0.27 0.00 0.00 0.00 0.00 60.65 61.24 3hmj s ILE 407 Cb 0.18 -3.61 -0.12 0.00 0.01 0.00 0.00 42.46 38.92 3hmj s ILE 407 CO 0.24 0.46 1.26 -2.65 0.00 0.00 0.00 174.94 174.26 3hmj n PRO 408 N 2.96 2.02 -0.18 2.79 -0.02 -1.26 -4.84 135.00 136.48 3hmj n PRO 408 Ca -0.14 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 3hmj n PRO 408 Cb 0.52 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 3hmj n PRO 408 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hmj h PHE 409 N 2.39 -1.38 -1.02 6.00 3.57 -1.87 -0.93 116.94 123.70 3hmj h PHE 409 Ca -0.46 0.08 0.25 0.00 3.53 0.00 0.00 57.97 61.37 3hmj h PHE 409 Cb 1.29 0.66 -0.12 0.00 2.79 0.00 0.00 35.95 40.58 3hmj h PHE 409 CO 0.50 -0.35 0.62 0.66 -2.23 0.00 0.00 178.31 177.50 3hmj h SER 410 N -0.21 0.61 0.78 0.41 4.64 -1.90 -1.63 113.55 116.25 3hmj h SER 410 Ca 0.08 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hmj h SER 410 Cb 0.42 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3hmj h SER 410 CO -0.55 0.10 0.00 -0.62 -0.87 0.00 0.00 176.83 174.89 3hmj n GLU 411 N -4.80 0.17 -1.38 4.77 1.02 -0.36 -4.91 120.64 115.14 3hmj n GLU 411 Ca 0.26 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 57.13 3hmj n GLU 411 Cb 0.79 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.83 3hmj n GLU 411 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hmj s ARG 412 N -2.82 1.45 0.06 3.49 0.52 -0.62 -4.98 118.95 116.04 3hmj s ARG 412 Ca 0.19 0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 56.02 3hmj s ARG 412 Cb 0.19 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 3hmj s ARG 412 CO 0.48 -2.06 0.23 0.15 0.02 0.00 0.00 175.30 174.11 3hmj s LYS 413 N -5.07 3.47 0.04 3.54 1.02 -1.26 -5.04 119.74 116.44 3hmj s LYS 413 Ca 0.63 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 3hmj s LYS 413 Cb -0.16 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.03 3hmj s LYS 413 CO 0.55 0.60 1.96 1.28 -0.92 0.00 0.00 175.35 178.83 3hmj n LEU 414 N 0.43 4.14 -4.67 3.17 4.77 -1.26 -4.94 117.00 118.64 3hmj n LEU 414 Ca -0.06 0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 56.48 3hmj n LEU 414 Cb 0.51 -1.52 -0.09 0.00 -2.33 0.00 0.00 43.42 39.99 3hmj n LEU 414 CO 0.49 0.19 -0.27 -0.54 -1.33 0.00 0.00 177.39 175.93 3hmj s LYS 415 N 4.29 3.52 0.02 3.23 1.02 -1.26 -2.77 119.74 127.78 3hmj s LYS 415 Ca 0.89 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 56.24 3hmj s LYS 415 Cb -0.45 -3.02 0.09 0.00 -0.52 0.00 0.00 37.83 33.92 3hmj s LYS 415 CO 0.42 0.49 0.77 -0.59 -0.92 0.00 0.00 175.35 175.52 3hmj s PHE 416 N -0.27 -0.47 0.06 3.18 -0.12 -1.26 -4.95 117.98 114.15 3hmj s PHE 416 Ca 0.07 0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 3hmj s PHE 416 Cb -0.12 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3hmj s PHE 416 CO 0.02 -0.63 0.19 0.45 -0.05 0.00 0.00 175.22 175.19 3hmj s SER 417 N -2.15 6.21 -0.28 1.98 0.15 -1.15 -4.93 113.70 113.53 3hmj s SER 417 Ca -0.00 0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.68 3hmj s SER 417 Cb -0.01 -1.87 0.09 0.00 -1.71 0.00 0.00 66.02 62.52 3hmj s SER 417 CO -0.05 0.17 0.77 0.54 1.20 0.00 0.00 173.24 175.87 3hmj s ASN 418 N -2.47 -0.78 0.00 5.45 6.03 -1.26 -1.49 114.94 120.42 3hmj s ASN 418 Ca 0.34 1.33 -0.19 0.00 -1.03 0.00 0.00 52.86 53.30 3hmj s ASN 418 Cb -0.13 1.33 0.04 0.00 -3.03 0.00 0.00 41.25 39.46 3hmj s ASN 418 CO 0.27 -0.22 0.42 -0.60 -2.03 0.00 0.00 177.10 174.94 3hmj s ARG 419 N 1.11 0.84 0.37 3.55 3.52 -1.00 -4.68 118.95 122.66 3hmj s ARG 419 Ca -0.06 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.15 3hmj s ARG 419 Cb -0.05 0.38 -0.10 0.00 -1.56 0.00 0.00 34.95 33.62 3hmj s ARG 419 CO -0.12 -0.26 0.93 -0.06 -0.81 0.00 0.00 175.30 174.97 3hmj s PHE 420 N -1.73 3.48 0.17 5.12 0.08 -1.26 -0.66 117.98 123.17 3hmj s PHE 420 Ca -0.10 1.65 -0.02 0.00 0.12 0.00 0.00 56.93 58.58 3hmj s PHE 420 Cb -0.02 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.53 3hmj s PHE 420 CO 0.03 0.05 0.37 -0.51 -0.10 0.00 0.00 175.22 175.05 3hmj s LEU 421 N -2.67 4.25 -0.90 -0.37 1.43 -0.00 -4.81 118.68 115.62 3hmj s LEU 421 Ca 0.56 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 3hmj s LEU 421 Cb -0.13 -3.18 -0.16 0.00 0.03 0.00 0.00 46.19 42.75 3hmj s LEU 421 CO 0.18 0.01 1.91 -2.65 0.23 0.00 0.00 176.35 176.03 3hmj n PRO 422 N -0.35 1.25 -3.71 1.29 -0.02 -1.26 -4.74 135.00 127.46 3hmj n PRO 422 Ca -0.04 -2.01 -0.14 0.00 -2.02 0.00 0.00 63.50 59.29 3hmj n PRO 422 Cb 0.53 -3.32 -0.09 0.00 -0.02 0.00 0.00 33.50 30.60 3hmj n PRO 422 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hmj s VAL 423 N 9.03 0.01 -0.82 -1.45 -7.23 -1.26 -3.91 120.40 114.78 3hmj s VAL 423 Ca 0.66 -0.10 0.25 0.00 -1.81 0.00 0.00 61.98 60.98 3hmj s VAL 423 Cb 0.06 -0.68 0.08 0.00 0.56 0.00 0.00 36.38 36.41 3hmj s VAL 423 CO 0.16 -0.05 1.47 0.00 -0.31 0.00 0.00 175.10 176.37 3hmj n ALA 424 N 2.32 3.00 -2.90 1.32 0.00 -1.26 -4.32 120.51 118.67 3hmj n ALA 424 Ca -0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 3hmj n ALA 424 Cb 0.57 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 3hmj n ALA 424 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hmj s SER 425 N -3.68 0.49 -1.18 0.00 0.01 -1.26 -4.55 113.70 103.52 3hmj s SER 425 Ca 0.09 -0.54 -0.20 0.00 1.31 0.00 0.00 55.95 56.61 3hmj s SER 425 Cb 0.15 0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.51 3hmj s SER 425 CO 0.68 -0.27 1.66 -2.84 0.41 0.00 0.00 173.24 172.88 3hmj s PRO 426 N -1.60 3.71 0.53 12.44 0.02 -1.26 -4.78 135.00 144.05 3hmj s PRO 426 Ca -0.13 -1.58 -0.19 0.00 0.02 0.00 0.00 61.00 59.12 3hmj s PRO 426 Cb -0.09 -5.44 -0.06 0.00 0.02 0.00 0.00 34.50 28.92 3hmj s PRO 426 CO -0.01 -2.39 1.07 -0.06 -0.33 0.00 0.00 177.00 175.28 3hmj s PHE 427 N 5.13 2.90 -1.33 6.54 0.08 -1.26 -3.82 117.98 126.22 3hmj s PHE 427 Ca 0.53 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 59.08 3hmj s PHE 427 Cb 0.02 -3.11 0.02 0.00 -0.57 0.00 0.00 43.02 39.38 3hmj s PHE 427 CO 0.02 -1.11 1.00 0.72 -0.10 0.00 0.00 175.22 175.75 3hmj n HIS 428 N -1.35 -2.39 -3.99 0.36 8.25 -1.10 -4.88 115.22 110.12 3hmj n HIS 428 Ca 0.10 0.94 -0.08 0.00 -0.26 0.00 0.00 57.72 58.42 3hmj n HIS 428 Cb 0.52 -4.74 -0.08 0.00 1.12 0.00 0.00 29.99 26.80 3hmj n HIS 428 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hmj s SER 429 N -3.83 0.26 0.23 0.41 1.04 -1.12 -4.63 113.70 106.06 3hmj s SER 429 Ca 0.32 -0.87 0.17 0.00 0.48 0.00 0.00 55.95 56.04 3hmj s SER 429 Cb -0.15 0.30 0.86 0.00 0.10 0.00 0.00 66.02 67.13 3hmj s SER 429 CO 0.76 -0.71 1.51 0.00 0.98 0.00 0.00 173.24 175.79 3hmj n HIS 430 N -0.03 0.55 0.28 5.02 1.44 -1.26 -1.56 115.22 119.67 3hmj n HIS 430 Ca -0.12 0.27 0.17 0.00 -2.01 0.00 0.00 57.72 56.03 3hmj n HIS 430 Cb 0.62 -0.94 0.79 0.00 0.12 0.00 0.00 29.99 30.59 3hmj n HIS 430 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3hmj h LEU 431 N 0.00 0.00 0.00 2.39 4.07 -1.92 -3.23 115.31 116.63 3hmj h LEU 431 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hmj h LEU 431 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3hmj h LEU 431 CO 0.00 0.04 -1.12 0.18 -1.08 0.00 0.00 178.44 176.47 3hmj n LEU 432 N -3.22 0.28 -0.33 1.67 4.32 -0.60 -4.53 117.00 114.60 3hmj n LEU 432 Ca -0.01 -0.24 0.25 0.00 -0.02 0.00 0.00 56.01 55.99 3hmj n LEU 432 Cb 0.25 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.53 3hmj n LEU 432 CO 0.27 0.07 1.05 0.58 -1.22 0.00 0.00 177.39 178.14 3hmj h VAL 433 N 0.00 0.17 -0.99 4.08 2.07 -1.65 0.17 116.25 120.10 3hmj h VAL 433 Ca 0.00 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.64 3hmj h VAL 433 Cb 0.45 -0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 3hmj h VAL 433 CO 0.00 0.03 0.61 -0.65 0.02 0.00 0.00 177.57 177.59 3hmj h PRO 434 N 0.17 0.73 0.00 1.57 0.11 -1.82 -1.14 132.00 131.62 3hmj h PRO 434 Ca 0.74 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.81 3hmj h PRO 434 Cb 1.77 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.71 3hmj h PRO 434 CO -0.70 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 177.58 3hmj n ALA 435 N -2.36 2.43 0.28 -0.75 0.00 0.59 -4.10 120.51 116.60 3hmj n ALA 435 Ca 0.22 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3hmj n ALA 435 Cb 0.56 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 3hmj n ALA 435 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hmj h SER 436 N 0.00 -0.69 -0.34 0.00 0.87 -1.21 -0.42 113.55 111.77 3hmj h SER 436 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3hmj h SER 436 Cb 0.32 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3hmj h SER 436 CO 0.00 -0.45 0.18 -0.78 -0.53 0.00 0.00 176.83 175.25 3hmj h ASP 437 N -0.73 0.47 -0.45 6.23 3.58 -1.74 -2.53 116.42 121.24 3hmj h ASP 437 Ca -0.07 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 3hmj h ASP 437 Cb 0.58 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3hmj h ASP 437 CO 0.10 0.41 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.65 3hmj h LEU 438 N 0.53 0.92 -0.13 2.28 3.38 -1.70 -1.33 115.31 119.26 3hmj h LEU 438 Ca 0.14 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hmj h LEU 438 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hmj h LEU 438 CO -0.02 1.08 0.06 0.40 0.09 0.00 0.00 178.44 180.05 3hmj h ILE 439 N 0.74 1.13 -0.30 1.22 2.04 -0.66 -1.86 117.51 119.81 3hmj h ILE 439 Ca 0.11 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hmj h ILE 439 Cb 0.70 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3hmj h ILE 439 CO 0.05 0.11 0.17 0.78 0.00 0.00 0.00 178.15 179.26 3hmj h ASN 440 N 0.07 0.37 -0.69 1.72 -0.26 -1.44 0.26 115.58 115.61 3hmj h ASN 440 Ca 0.04 -0.08 0.16 0.00 -0.56 0.00 0.00 56.30 55.87 3hmj h ASN 440 Cb 0.13 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.26 3hmj h ASN 440 CO -0.01 0.35 0.48 0.50 -1.06 0.00 0.00 177.43 177.69 3hmj h LYS 441 N 0.37 0.21 0.14 0.81 3.64 -1.18 -0.75 116.57 119.82 3hmj h LYS 441 Ca 0.11 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.17 3hmj h LYS 441 Cb 0.05 -0.05 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3hmj h LYS 441 CO -0.02 0.14 -1.29 -0.44 -2.27 0.00 0.00 179.45 175.58 3hmj h ASP 442 N 0.22 0.85 0.22 4.20 3.32 -0.34 -3.10 116.42 121.78 3hmj h ASP 442 Ca 0.34 -0.80 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3hmj h ASP 442 Cb 1.01 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3hmj h ASP 442 CO -0.07 1.61 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.85 3hmj h LEU 443 N 0.24 0.00 0.09 1.55 3.38 0.84 -1.12 115.31 120.30 3hmj h LEU 443 Ca -0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.49 3hmj h LEU 443 Cb 1.96 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.73 3hmj h LEU 443 CO 0.24 0.14 -1.23 1.62 0.09 0.00 0.00 178.44 179.31 3hmj h VAL 444 N 0.00 1.42 0.00 1.22 3.04 -1.30 -3.21 116.25 117.42 3hmj h VAL 444 Ca -0.00 -2.82 0.00 0.00 -1.01 0.00 0.00 66.70 62.87 3hmj h VAL 444 Cb 0.29 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 3hmj h VAL 444 CO 0.02 0.83 0.00 0.29 -1.01 0.00 0.00 177.57 177.70 3hmj n LYS 445 N -3.63 0.22 -4.57 4.17 5.02 -0.45 -4.53 118.16 114.38 3hmj n LYS 445 Ca -0.10 0.14 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 3hmj n LYS 445 Cb 1.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.40 3hmj n LYS 445 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hmj s ASN 446 N -2.58 3.63 0.02 4.39 0.01 -1.04 -5.03 114.94 114.35 3hmj s ASN 446 Ca 0.15 -1.32 0.01 0.00 -0.71 0.00 0.00 52.86 50.99 3hmj s ASN 446 Cb 0.11 -0.34 0.05 0.00 0.41 0.00 0.00 41.25 41.48 3hmj s ASN 446 CO 0.25 -0.39 0.85 -0.46 -1.51 0.00 0.00 177.10 175.83 3hmj n ASN 447 N -0.87 0.03 -4.72 -1.22 6.94 -1.26 -4.82 115.26 109.34 3hmj n ASN 447 Ca -0.05 0.33 -0.42 0.00 -0.02 0.00 0.00 54.58 54.42 3hmj n ASN 447 Cb 0.66 -0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 3hmj n ASN 447 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hmj s VAL 448 N -2.67 4.63 -0.13 3.53 1.01 -1.22 -5.02 120.40 120.54 3hmj s VAL 448 Ca -0.00 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 3hmj s VAL 448 Cb 0.00 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.26 3hmj s VAL 448 CO 0.01 0.19 1.04 -0.94 0.00 0.00 0.00 175.10 175.40 3hmj s SER 449 N 0.77 -0.29 -0.31 3.32 1.04 -1.26 -4.51 113.70 112.46 3hmj s SER 449 Ca 0.52 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.13 3hmj s SER 449 Cb -0.23 0.27 0.10 0.00 0.10 0.00 0.00 66.02 66.25 3hmj s SER 449 CO 0.29 -0.37 0.07 -0.36 0.98 0.00 0.00 173.24 173.85 3hmj s PHE 450 N -1.93 2.46 0.15 5.02 0.40 -1.26 -5.01 117.98 117.81 3hmj s PHE 450 Ca 0.03 -2.17 -0.30 0.00 -0.60 0.00 0.00 56.93 53.89 3hmj s PHE 450 Cb -0.01 -2.12 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 3hmj s PHE 450 CO -0.04 -0.89 0.99 -0.80 0.70 0.00 0.00 175.22 175.18 3hmj s ASN 451 N 1.36 7.48 0.61 1.36 0.02 -1.26 -4.27 114.94 120.23 3hmj s ASN 451 Ca 0.09 1.89 0.37 0.00 -1.02 0.00 0.00 52.86 54.19 3hmj s ASN 451 Cb -0.18 -2.60 1.95 0.00 0.02 0.00 0.00 41.25 40.44 3hmj s ASN 451 CO -0.18 -0.05 2.22 0.00 0.02 0.00 0.00 177.10 179.11 3hmj h ALA 452 N 5.19 1.14 -0.74 0.60 0.00 -1.93 -0.75 119.26 122.77 3hmj h ALA 452 Ca -0.44 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3hmj h ALA 452 Cb 1.21 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3hmj h ALA 452 CO 0.71 0.03 0.49 0.87 0.00 0.00 0.00 179.25 181.35 3hmj h LYS 453 N 0.00 0.86 0.00 0.00 1.57 -1.95 -3.28 116.57 113.77 3hmj h LYS 453 Ca -0.00 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.46 3hmj h LYS 453 Cb 0.16 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3hmj h LYS 453 CO 0.00 0.57 -1.59 -0.44 -0.57 0.00 0.00 179.45 177.43 3hmj h ASP 454 N 0.89 0.00 -2.86 0.86 3.32 -1.52 -3.45 116.42 113.66 3hmj h ASP 454 Ca 0.30 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.81 3hmj h ASP 454 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hmj h ASP 454 CO -0.09 0.95 0.87 0.27 -1.72 0.00 0.00 179.24 179.52 3hmj s ILE 455 N -2.65 3.54 -0.33 0.35 -5.25 -1.21 -4.38 121.20 111.28 3hmj s ILE 455 Ca -0.04 0.95 0.23 0.00 -0.99 0.00 0.00 60.65 60.80 3hmj s ILE 455 Cb 0.08 -3.61 -0.13 0.00 2.95 0.00 0.00 42.46 41.75 3hmj s ILE 455 CO 0.82 -0.00 0.89 0.00 -1.79 0.00 0.00 174.94 174.86 3hmj n GLN 456 N 5.38 0.50 -3.93 0.37 1.13 -0.98 -4.94 117.38 114.90 3hmj n GLN 456 Ca 0.14 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 3hmj n GLN 456 Cb 0.43 -1.66 -0.12 0.00 0.11 0.00 0.00 30.24 29.00 3hmj n GLN 456 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3hmj s ILE 457 N -3.34 0.07 0.18 5.09 -4.36 -1.26 -5.09 121.20 112.48 3hmj s ILE 457 Ca -0.01 -0.58 -0.32 0.00 -0.26 0.00 0.00 60.65 59.48 3hmj s ILE 457 Cb 0.13 -0.19 -0.16 0.00 1.25 0.00 0.00 42.46 43.49 3hmj s ILE 457 CO 0.83 -0.32 1.03 -2.65 0.24 0.00 0.00 174.94 174.07 3hmj n PRO 458 N 2.11 0.89 -3.90 0.37 -0.02 -1.26 -4.62 135.00 128.56 3hmj n PRO 458 Ca -0.20 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 3hmj n PRO 458 Cb 0.57 -1.72 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 3hmj n PRO 458 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hmj s VAL 459 N -0.42 2.01 -0.05 -1.45 1.01 -1.26 -0.77 120.40 119.47 3hmj s VAL 459 Ca 0.72 -2.56 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 3hmj s VAL 459 Cb -0.89 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3hmj s VAL 459 CO 0.54 -0.73 1.88 -0.31 0.00 0.00 0.00 175.10 176.49 3hmj s TYR 460 N 0.52 1.54 0.18 5.22 1.51 -1.02 -2.36 117.35 122.94 3hmj s TYR 460 Ca 0.14 -0.03 -0.33 0.00 -1.01 0.00 0.00 57.07 55.83 3hmj s TYR 460 Cb -0.22 -4.09 -0.14 0.00 -0.11 0.00 0.00 41.96 37.40 3hmj s TYR 460 CO -0.06 -4.61 1.43 -3.47 -1.11 0.00 0.00 175.55 167.73 3hmj n ASP 461 N 8.15 2.53 0.27 2.29 -0.08 0.41 -4.72 116.55 125.41 3hmj n ASP 461 Ca 0.21 1.12 0.10 0.00 -1.51 0.00 0.00 54.79 54.70 3hmj n ASP 461 Cb 0.43 -1.36 0.71 0.00 2.34 0.00 0.00 41.12 43.23 3hmj n ASP 461 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3hmj h THR 462 N 3.27 0.88 0.00 5.18 2.02 -1.89 0.78 112.91 123.15 3hmj h THR 462 Ca -0.45 -0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.45 3hmj h THR 462 Cb 1.29 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3hmj h THR 462 CO 0.80 0.00 -1.86 0.33 0.37 0.00 0.00 175.52 175.17 3hmj n PHE 463 N -4.37 0.00 0.12 3.16 -0.00 -1.26 -2.59 117.46 112.53 3hmj n PHE 463 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.28 3hmj n PHE 463 Cb 0.09 -0.69 -0.08 0.00 -0.00 0.00 0.00 39.48 38.80 3hmj n PHE 463 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3hmj h ASP 464 N -0.79 -0.25 0.00 -2.13 5.19 -1.95 -3.44 116.42 113.05 3hmj h ASP 464 Ca -0.42 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 3hmj h ASP 464 Cb 1.31 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3hmj h ASP 464 CO -0.25 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 3hmj n GLY 465 N -0.63 0.64 3.90 2.75 0.00 0.27 -4.80 105.19 107.33 3hmj n GLY 465 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3hmj n GLY 465 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmj n SER 466 N 0.00 0.32 -4.84 1.61 3.41 -1.26 -4.50 113.62 108.37 3hmj n SER 466 Ca 0.00 -1.60 -0.34 0.00 -0.26 0.00 0.00 58.87 56.67 3hmj n SER 466 Cb 0.00 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 3hmj n SER 466 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hmj s ASP 467 N -5.78 6.85 0.09 4.04 -1.08 -1.26 0.16 116.67 119.69 3hmj s ASP 467 Ca 0.75 1.25 0.26 0.00 -0.52 0.00 0.00 52.55 54.28 3hmj s ASP 467 Cb -0.02 -2.36 0.72 0.00 -1.46 0.00 0.00 42.92 39.80 3hmj s ASP 467 CO 0.52 -0.06 1.61 0.18 0.52 0.00 0.00 175.17 177.94 3hmj n LEU 468 N 0.20 0.52 0.03 -1.34 4.77 -1.00 -3.88 117.00 116.30 3hmj n LEU 468 Ca -0.00 0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 3hmj n LEU 468 Cb 0.52 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3hmj n LEU 468 CO 0.43 -0.04 0.14 0.03 -1.33 0.00 0.00 177.39 176.62 3hmj h ARG 469 N 0.00 0.49 -4.37 3.23 3.08 -1.93 -3.34 114.38 111.54 3hmj h ARG 469 Ca 0.00 -0.58 -0.61 0.00 0.07 0.00 0.00 59.98 58.86 3hmj h ARG 469 Cb 0.63 0.18 0.05 0.00 0.08 0.00 0.00 29.97 30.91 3hmj h ARG 469 CO 0.00 1.21 2.30 0.28 -1.07 0.00 0.00 179.97 182.69 3hmj n VAL 470 N -4.07 1.82 -3.65 2.04 0.31 -1.25 -4.81 118.33 108.72 3hmj n VAL 470 Ca -0.11 -1.52 -0.19 0.00 -0.01 0.00 0.00 64.34 62.51 3hmj n VAL 470 Cb 0.78 -2.28 -0.16 0.00 -0.91 0.00 0.00 33.84 31.27 3hmj n VAL 470 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3hmj s LEU 471 N 1.00 0.03 0.14 7.52 0.20 -1.25 -4.94 118.68 121.38 3hmj s LEU 471 Ca 0.55 0.13 -0.23 0.00 0.69 0.00 0.00 54.13 55.27 3hmj s LEU 471 Cb 0.14 0.09 -0.01 0.00 -0.43 0.00 0.00 46.19 45.98 3hmj s LEU 471 CO 0.11 -0.26 1.64 0.77 -0.29 0.00 0.00 176.35 178.32 3hmj h SER 472 N 8.39 -0.66 -0.12 3.68 4.64 -1.93 -3.45 113.55 124.11 3hmj h SER 472 Ca -0.13 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hmj h SER 472 Cb 1.12 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3hmj h SER 472 CO 0.17 -0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 3hmj n GLY 473 N -1.35 1.25 3.71 -0.77 0.00 -1.26 -5.04 105.19 101.73 3hmj n GLY 473 Ca -0.03 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3hmj n GLY 473 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hmj s SER 474 N -1.00 7.35 0.15 1.61 0.15 -1.26 -4.95 113.70 115.74 3hmj s SER 474 Ca 0.00 1.64 -0.07 0.00 0.70 0.00 0.00 55.95 58.21 3hmj s SER 474 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 3hmj s SER 474 CO 0.00 -0.30 1.40 0.40 1.20 0.00 0.00 173.24 175.95 3hmj h ILE 475 N 4.86 1.31 0.23 6.45 2.04 -1.88 -2.45 117.51 128.06 3hmj h ILE 475 Ca -0.39 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.55 3hmj h ILE 475 Cb 1.21 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 3hmj h ILE 475 CO 0.77 0.60 -0.41 -1.28 0.00 0.00 0.00 178.15 177.83 3hmj h SER 476 N 0.48 -1.20 -0.92 1.72 0.87 -1.93 -2.34 113.55 110.22 3hmj h SER 476 Ca -0.02 0.11 0.24 0.00 -1.23 0.00 0.00 61.79 60.89 3hmj h SER 476 Cb 1.26 0.42 -0.06 0.00 -0.44 0.00 0.00 62.40 63.59 3hmj h SER 476 CO 0.13 -0.48 0.63 -0.33 -0.53 0.00 0.00 176.83 176.25 3hmj h GLU 477 N -0.69 0.21 0.58 2.24 5.08 -1.97 -1.56 114.58 118.47 3hmj h GLU 477 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3hmj h GLU 477 Cb 0.64 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hmj h GLU 477 CO -0.15 0.14 -0.28 -0.09 -1.00 0.00 0.00 179.01 177.63 3hmj h ARG 478 N 0.21 -0.75 0.00 2.33 1.12 -1.12 -2.42 114.38 113.76 3hmj h ARG 478 Ca 0.47 0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.38 3hmj h ARG 478 Cb 1.47 0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 31.60 3hmj h ARG 478 CO -0.11 -0.44 -0.02 -0.84 -3.11 0.00 0.00 179.97 175.45 3hmj h ILE 479 N -1.04 0.07 -0.06 1.20 3.07 -0.79 0.32 117.51 120.28 3hmj h ILE 479 Ca -0.08 -0.41 -0.01 0.00 1.55 0.00 0.00 64.86 65.91 3hmj h ILE 479 Cb 0.66 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3hmj h ILE 479 CO 0.13 0.02 -0.02 0.58 -1.05 0.00 0.00 178.15 177.81 3hmj h VAL 480 N 0.00 1.31 0.00 0.16 2.07 -1.33 -2.86 116.25 115.60 3hmj h VAL 480 Ca -0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3hmj h VAL 480 Cb 0.38 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3hmj h VAL 480 CO 0.00 0.27 0.00 -0.67 0.02 0.00 0.00 177.57 177.19 3hmj n ASP 481 N -4.81 0.00 0.02 0.57 2.03 -0.25 -1.67 116.55 112.44 3hmj n ASP 481 Ca -0.07 0.45 0.11 0.00 0.52 0.00 0.00 54.79 55.80 3hmj n ASP 481 Cb 0.24 -0.48 0.07 0.00 -0.72 0.00 0.00 41.12 40.23 3hmj n ASP 481 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hmj n ILE 483 N -1.85 0.50 -0.08 0.00 5.41 -1.09 -4.49 119.36 117.77 3hmj n ILE 483 Ca 0.03 -0.33 -0.14 0.00 1.00 0.00 0.00 62.75 63.31 3hmj n ILE 483 Cb 0.41 -0.68 -0.14 0.00 -0.71 0.00 0.00 39.64 38.52 3hmj n ILE 483 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hmj n ILE 484 N -2.25 1.54 0.00 1.39 5.41 -0.67 -2.69 119.36 122.08 3hmj n ILE 484 Ca -0.12 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 62.91 3hmj n ILE 484 Cb 0.71 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 3hmj n ILE 484 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3hmj n ARG 485 N -3.10 0.00 -2.89 0.38 0.63 -1.15 -2.78 116.66 107.74 3hmj n ARG 485 Ca -0.34 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.22 3hmj n ARG 485 Cb 1.07 -0.74 -0.06 0.00 0.45 0.00 0.00 32.46 33.18 3hmj n ARG 485 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3hmj s LEU 486 N -5.18 4.34 1.20 6.15 1.43 -0.63 -4.12 118.68 121.86 3hmj s LEU 486 Ca 0.00 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.66 3hmj s LEU 486 Cb 0.00 -3.88 0.30 0.00 0.03 0.00 0.00 46.19 42.65 3hmj s LEU 486 CO 0.00 -0.04 1.01 -2.84 0.23 0.00 0.00 176.35 174.72 3hmj s PRO 487 N -2.04 -1.21 -0.34 1.29 0.02 -1.26 -4.54 135.00 126.92 3hmj s PRO 487 Ca 0.48 0.79 0.02 0.00 0.02 0.00 0.00 61.00 62.31 3hmj s PRO 487 Cb -0.18 -1.52 0.09 0.00 0.02 0.00 0.00 34.50 32.91 3hmj s PRO 487 CO 0.23 -3.91 0.05 0.08 -0.33 0.00 0.00 177.00 173.12 3hmj s VAL 488 N -2.42 2.46 -1.30 3.83 1.01 -0.91 -4.43 120.40 118.64 3hmj s VAL 488 Ca 0.69 -2.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 3hmj s VAL 488 Cb -0.25 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.52 3hmj s VAL 488 CO 0.65 -0.51 1.77 0.29 0.00 0.00 0.00 175.10 177.31 3hmj n LYS 489 N 4.35 3.27 -0.36 2.72 5.02 -1.07 -1.77 118.16 130.32 3hmj n LYS 489 Ca -0.00 -3.37 0.08 0.00 -2.02 0.00 0.00 58.31 53.00 3hmj n LYS 489 Cb 0.42 -3.20 0.26 0.00 -0.02 0.00 0.00 35.03 32.48 3hmj n LYS 489 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 3hmj h TRP 490 N 6.75 1.13 -0.32 2.13 2.91 -1.79 -0.80 115.95 125.95 3hmj h TRP 490 Ca 0.42 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.33 3hmj h TRP 490 Cb 0.77 -0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3hmj h TRP 490 CO 1.30 0.40 -0.39 0.93 -1.03 0.00 0.00 178.44 179.66 3hmj h GLU 491 N 0.94 0.83 0.00 2.65 5.08 -1.80 -1.61 114.58 120.67 3hmj h GLU 491 Ca 0.52 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hmj h GLU 491 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hmj h GLU 491 CO -0.29 1.10 -0.26 1.79 -1.00 0.00 0.00 179.01 180.35 3hmj h THR 492 N 0.61 0.72 0.00 1.13 1.35 -1.58 -2.15 112.91 113.00 3hmj h THR 492 Ca 0.04 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3hmj h THR 492 Cb 0.98 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3hmj h THR 492 CO 0.09 0.25 -0.33 1.07 -0.25 0.00 0.00 175.52 176.36 3hmj n THR 493 N -3.56 0.10 -1.96 6.82 5.66 -0.45 -3.14 114.28 117.74 3hmj n THR 493 Ca -0.01 -0.06 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 3hmj n THR 493 Cb 0.40 -0.10 0.03 0.00 -1.55 0.00 0.00 70.33 69.12 3hmj n THR 493 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3hmj n THR 494 N -1.65 3.10 -0.14 1.09 5.66 -0.62 -4.76 114.28 116.97 3hmj n THR 494 Ca 0.06 -4.17 -0.04 0.00 -3.05 0.00 0.00 64.05 56.85 3hmj n THR 494 Cb 0.36 -1.22 0.17 0.00 -1.55 0.00 0.00 70.33 68.09 3hmj n THR 494 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 3hmj h GLN 495 N 2.54 0.85 -6.64 1.09 5.75 -1.52 -3.47 115.11 113.72 3hmj h GLN 495 Ca 0.47 -0.19 -0.51 0.00 -0.15 0.00 0.00 58.65 58.27 3hmj h GLN 495 Cb 0.67 -0.12 0.23 0.00 1.07 0.00 0.00 27.48 29.33 3hmj h GLN 495 CO 1.21 0.79 -0.95 1.97 -2.65 0.00 0.00 178.83 179.20 3hmj n PHE 496 N -4.25 -1.86 -4.78 3.99 1.16 -1.26 -5.02 117.46 105.44 3hmj n PHE 496 Ca 0.04 0.20 -0.33 0.00 -1.87 0.00 0.00 57.45 55.48 3hmj n PHE 496 Cb 0.25 -1.67 -0.12 0.00 -1.61 0.00 0.00 39.48 36.33 3hmj n PHE 496 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3hmj s LYS 497 N -3.33 2.66 0.20 3.97 1.02 -1.26 -5.12 119.74 117.89 3hmj s LYS 497 Ca 0.54 -0.64 -0.23 0.00 0.02 0.00 0.00 55.97 55.67 3hmj s LYS 497 Cb -0.17 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 3hmj s LYS 497 CO 0.69 0.61 0.69 0.00 -0.92 0.00 0.00 175.35 176.42 3hmj s ALA 498 N -0.68 -1.45 -0.04 5.17 0.00 -1.26 -5.04 121.76 118.45 3hmj s ALA 498 Ca 0.10 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 3hmj s ALA 498 Cb -0.11 0.83 -0.30 0.00 0.00 0.00 0.00 23.12 23.54 3hmj s ALA 498 CO 0.01 -0.90 0.68 1.15 0.00 0.00 0.00 175.76 176.69 3hmj h THR 499 N 2.00 0.95 -3.63 0.00 2.02 -1.82 -3.40 112.91 109.03 3hmj h THR 499 Ca -0.26 -2.56 -0.26 0.00 0.77 0.00 0.00 66.41 64.10 3hmj h THR 499 Cb 1.27 2.73 -0.31 0.00 -1.74 0.00 0.00 68.15 70.10 3hmj h THR 499 CO 0.30 0.85 -0.72 -1.00 0.37 0.00 0.00 175.52 175.31 3hmj s HIS 500 N -2.58 0.02 -0.15 3.16 3.76 -0.84 -1.20 115.29 117.44 3hmj s HIS 500 Ca -0.15 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 3hmj s HIS 500 Cb 0.06 -0.12 -0.00 0.00 1.11 0.00 0.00 32.58 33.63 3hmj s HIS 500 CO 0.85 -0.04 -0.15 0.42 -0.85 0.00 0.00 174.74 174.97 3hmj s ILE 501 N 0.54 2.74 -0.24 0.60 1.01 -1.13 -1.41 121.20 123.30 3hmj s ILE 501 Ca -0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 3hmj s ILE 501 Cb -0.06 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3hmj s ILE 501 CO -0.01 0.51 0.10 -0.76 0.00 0.00 0.00 174.94 174.78 3hmj s LEU 502 N 0.78 3.69 -0.46 2.97 1.43 -0.53 -0.70 118.68 125.85 3hmj s LEU 502 Ca -0.06 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3hmj s LEU 502 Cb -0.15 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.13 3hmj s LEU 502 CO 0.01 0.02 0.45 -0.62 0.23 0.00 0.00 176.35 176.44 3hmj s ASP 503 N 1.30 6.17 0.00 2.29 -1.08 -0.29 -1.43 116.67 123.64 3hmj s ASP 503 Ca 0.06 -0.99 0.22 0.00 -0.52 0.00 0.00 52.55 51.31 3hmj s ASP 503 Cb -0.15 -2.22 -0.05 0.00 -1.46 0.00 0.00 42.92 39.04 3hmj s ASP 503 CO 0.05 -0.66 1.03 0.49 0.52 0.00 0.00 175.17 176.59 3hmj n PHE 504 N 5.54 0.00 -1.54 -5.34 3.01 -0.97 -0.89 117.46 117.26 3hmj n PHE 504 Ca -0.09 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.08 3hmj n PHE 504 Cb 0.45 -0.04 0.12 0.00 -0.01 0.00 0.00 39.48 40.00 3hmj n PHE 504 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hmj s GLY 505 N -2.92 1.59 0.29 1.37 0.00 -1.26 -4.46 107.32 101.93 3hmj s GLY 505 Ca 0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 3hmj s GLY 505 CO 0.79 0.08 1.39 -4.14 0.00 0.00 0.00 173.10 171.22 3hmj s PRO 506 N -5.25 4.29 0.00 2.90 0.02 -1.26 -4.65 135.00 131.04 3hmj s PRO 506 Ca 0.63 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3hmj s PRO 506 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3hmj s PRO 506 CO 0.53 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.28 3hmj n GLY 507 N 1.46 0.56 3.98 0.52 0.00 -1.26 -4.32 105.19 106.13 3hmj n GLY 507 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hmj n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLY 508 N -0.04 1.45 0.13 -0.02 0.00 -1.26 -0.59 105.19 104.86 3hmj n GLY 508 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3hmj n GLY 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmj n ALA 509 N 3.97 2.63 1.06 4.61 0.00 -1.26 -2.36 120.51 129.15 3hmj n ALA 509 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hmj n ALA 509 Cb 0.00 -1.35 0.30 0.00 0.00 0.00 0.00 19.45 18.40 3hmj n ALA 509 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hmj n SER 510 N -0.62 2.38 -1.96 0.00 7.64 0.25 -4.76 113.62 116.55 3hmj n SER 510 Ca 0.19 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.28 3hmj n SER 510 Cb 0.15 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3hmj n SER 510 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hmj n GLY 511 N 1.28 1.24 0.25 0.23 0.00 0.04 -4.78 105.19 103.46 3hmj n GLY 511 Ca 0.17 -2.02 0.01 0.00 0.00 0.00 0.00 46.02 44.18 3hmj n GLY 511 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hmj h LEU 512 N 0.00 0.33 0.06 0.99 5.85 -1.85 -3.21 115.31 117.48 3hmj h LEU 512 Ca 0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hmj h LEU 512 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3hmj h LEU 512 CO 0.00 0.48 -0.33 1.23 -0.34 0.00 0.00 178.44 179.48 3hmj h GLY 513 N 0.82 -0.60 1.42 3.75 0.00 -1.94 -1.56 103.07 104.95 3hmj h GLY 513 Ca 0.07 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 3hmj h GLY 513 CO 0.02 -0.24 0.14 -2.08 0.00 0.00 0.00 176.54 174.38 3hmj h VAL 514 N -0.52 1.21 0.29 4.60 2.07 -1.85 0.72 116.25 122.77 3hmj h VAL 514 Ca 0.04 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3hmj h VAL 514 Cb 0.58 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hmj h VAL 514 CO -0.24 0.27 -0.18 0.25 0.02 0.00 0.00 177.57 177.69 3hmj h LEU 515 N 0.72 -0.45 -1.22 2.57 5.85 -1.52 -0.69 115.31 120.57 3hmj h LEU 515 Ca 0.17 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3hmj h LEU 515 Cb 0.24 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hmj h LEU 515 CO -0.01 -0.29 0.27 0.71 -0.34 0.00 0.00 178.44 178.78 3hmj h THR 516 N -0.46 1.19 -0.43 1.05 1.35 -0.92 -2.44 112.91 112.25 3hmj h THR 516 Ca -0.03 -0.55 0.01 0.00 -0.55 0.00 0.00 66.41 65.29 3hmj h THR 516 Cb 0.38 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 3hmj h THR 516 CO 0.03 0.23 0.28 -0.74 -0.25 0.00 0.00 175.52 175.06 3hmj h HIS 517 N 0.81 0.52 0.00 4.73 -0.00 -0.31 -1.69 115.15 119.21 3hmj h HIS 517 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3hmj h HIS 517 Cb 0.09 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3hmj h HIS 517 CO 0.01 0.32 0.00 0.00 -0.00 0.00 0.00 177.93 178.26 3hmj h ARG 518 N 0.56 0.00 -0.35 5.26 3.08 -0.81 0.28 114.38 122.40 3hmj h ARG 518 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 3hmj h ARG 518 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3hmj h ARG 518 CO -0.05 0.00 -0.24 -0.91 -1.07 0.00 0.00 179.97 177.70 3hmj h ASN 519 N 0.00 0.70 0.00 7.04 2.35 -0.85 -3.37 115.58 121.45 3hmj h ASN 519 Ca 0.00 -0.25 -0.29 0.00 -0.55 0.00 0.00 56.30 55.20 3hmj h ASN 519 Cb 0.49 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3hmj h ASN 519 CO 0.00 0.92 -2.20 0.29 -1.65 0.00 0.00 177.43 174.80 3hmj n LYS 520 N -4.11 1.01 0.00 0.81 5.02 -0.54 -4.93 118.16 115.42 3hmj n LYS 520 Ca -0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3hmj n LYS 520 Cb 0.43 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3hmj n LYS 520 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hmj n ASP 521 N -2.61 0.00 0.00 4.39 2.03 0.88 -1.32 116.55 119.92 3hmj n ASP 521 Ca -0.27 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.07 3hmj n ASP 521 Cb 1.02 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.58 3hmj n ASP 521 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hmj n GLY 522 N 0.00 -0.46 1.31 0.27 0.00 -1.26 -3.86 105.19 101.19 3hmj n GLY 522 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hmj n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hmj n THR 523 N -0.68 1.57 -0.87 2.61 -2.24 -0.44 -3.53 114.28 110.71 3hmj n THR 523 Ca 0.04 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 3hmj n THR 523 Cb 0.02 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3hmj n THR 523 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hmj n GLY 524 N 0.96 0.85 3.77 3.38 0.00 -1.22 -4.91 105.19 108.02 3hmj n GLY 524 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3hmj n GLY 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmj s VAL 525 N -3.36 4.18 -0.30 1.61 1.01 -1.26 -4.27 120.40 118.01 3hmj s VAL 525 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3hmj s VAL 525 Cb 0.00 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.30 3hmj s VAL 525 CO 0.00 0.37 0.06 -0.60 0.00 0.00 0.00 175.10 174.93 3hmj s ARG 526 N -1.52 0.95 0.29 2.72 6.06 -0.34 -4.65 118.95 122.46 3hmj s ARG 526 Ca 0.44 -1.14 -0.28 0.00 -2.50 0.00 0.00 55.73 52.24 3hmj s ARG 526 Cb -0.23 -2.28 -0.09 0.00 0.06 0.00 0.00 34.95 32.41 3hmj s ARG 526 CO 0.28 -0.90 1.01 0.08 -2.50 0.00 0.00 175.30 173.26 3hmj s VAL 527 N 1.49 3.86 -0.13 7.11 1.01 -1.26 -2.85 120.40 129.63 3hmj s VAL 527 Ca 0.07 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 3hmj s VAL 527 Cb -0.18 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3hmj s VAL 527 CO -0.18 0.33 -0.11 -0.63 0.00 0.00 0.00 175.10 174.51 3hmj s ILE 528 N -1.31 1.32 -0.42 2.22 1.01 0.12 -1.88 121.20 122.26 3hmj s ILE 528 Ca 0.46 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3hmj s ILE 528 Cb -0.26 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3hmj s ILE 528 CO 0.33 0.42 1.36 -0.69 0.00 0.00 0.00 174.94 176.36 3hmj s VAL 529 N 1.59 3.96 -0.46 2.92 1.01 0.33 -1.13 120.40 128.61 3hmj s VAL 529 Ca 0.05 0.98 0.23 0.00 0.00 0.00 0.00 61.98 63.24 3hmj s VAL 529 Cb -0.13 -4.28 0.31 0.00 0.00 0.00 0.00 36.38 32.28 3hmj s VAL 529 CO -0.09 -0.81 1.59 0.00 0.00 0.00 0.00 175.10 175.79 3hmj h ALA 530 N 10.44 0.96 -0.51 5.51 0.00 -1.33 -1.13 119.26 133.20 3hmj h ALA 530 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hmj h ALA 530 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hmj h ALA 530 CO 1.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3hmj n GLY 531 N 1.13 2.14 2.71 0.00 0.00 -1.25 -4.60 105.19 105.33 3hmj n GLY 531 Ca 0.04 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 3hmj n GLY 531 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmj s THR 532 N -1.16 -0.04 -0.97 2.61 2.01 -1.26 -4.82 115.64 112.02 3hmj s THR 532 Ca 0.39 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.56 3hmj s THR 532 Cb 0.21 -0.18 0.16 0.00 0.01 0.00 0.00 72.50 72.70 3hmj s THR 532 CO 0.29 0.17 1.12 -0.22 -0.69 0.00 0.00 174.62 175.29 3hmj s LEU 533 N 1.89 5.39 0.00 4.42 2.96 -1.26 -1.69 118.68 130.39 3hmj s LEU 533 Ca 0.02 -2.38 0.00 0.00 -0.22 0.00 0.00 54.13 51.54 3hmj s LEU 533 Cb -0.12 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3hmj s LEU 533 CO -0.03 -0.89 0.00 -0.67 -1.32 0.00 0.00 176.35 173.43 3hmj n ASP 534 N 5.80 0.73 -3.83 3.68 -0.08 -1.26 -5.02 116.55 116.57 3hmj n ASP 534 Ca 0.25 -0.13 -0.16 0.00 -1.51 0.00 0.00 54.79 53.23 3hmj n ASP 534 Cb 0.47 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.77 3hmj n ASP 534 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hmj s ILE 535 N -0.45 0.18 -0.36 5.18 1.01 -1.26 -4.80 121.20 120.70 3hmj s ILE 535 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 3hmj s ILE 535 Cb 0.00 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 3hmj s ILE 535 CO 0.00 0.13 0.32 0.21 0.00 0.00 0.00 174.94 175.60 3hmj s ASN 536 N 0.86 6.13 0.65 3.58 3.84 -1.26 -4.95 114.94 123.79 3hmj s ASN 536 Ca -0.09 -0.45 0.39 0.00 0.21 0.00 0.00 52.86 52.92 3hmj s ASN 536 Cb -0.12 -2.17 2.16 0.00 -0.55 0.00 0.00 41.25 40.56 3hmj s ASN 536 CO -0.01 -0.35 2.27 -0.65 -2.79 0.00 0.00 177.10 175.57 3hmj h PRO 537 N 8.53 0.00 0.00 0.43 0.11 -2.00 -2.72 132.00 136.36 3hmj h PRO 537 Ca -0.29 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.68 3hmj h PRO 537 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3hmj h PRO 537 CO 0.69 0.00 -2.03 -0.25 -0.21 0.00 0.00 178.00 176.20 3hmj n ASP 538 N -3.25 0.12 -1.46 -2.05 9.92 -1.26 -4.94 116.55 113.62 3hmj n ASP 538 Ca -0.02 0.05 -0.19 0.00 -0.53 0.00 0.00 54.79 54.09 3hmj n ASP 538 Cb 0.14 1.44 -0.08 0.00 -0.64 0.00 0.00 41.12 41.98 3hmj n ASP 538 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3hmj n ASP 539 N -2.49 -5.48 -0.29 -2.24 2.03 -1.03 -4.87 116.55 102.18 3hmj n ASP 539 Ca -0.14 0.47 0.02 0.00 0.52 0.00 0.00 54.79 55.67 3hmj n ASP 539 Cb 0.78 -4.66 0.09 0.00 -0.72 0.00 0.00 41.12 36.61 3hmj n ASP 539 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 3hmj h ASP 540 N 0.00 -0.84 -1.16 1.67 3.58 -1.92 -3.44 116.42 114.31 3hmj h ASP 540 Ca -0.39 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3hmj h ASP 540 Cb 1.31 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.89 3hmj h ASP 540 CO 0.57 -0.28 0.00 0.00 -2.88 0.00 0.00 179.24 176.65 3hmj n TYR 541 N -5.53 0.00 -4.25 0.28 0.18 -1.26 -4.85 117.16 101.74 3hmj n TYR 541 Ca 0.12 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.74 3hmj n TYR 541 Cb 0.42 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.27 3hmj n TYR 541 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3hmj s GLY 542 N -0.57 1.08 0.32 -7.48 0.00 -0.79 -4.85 107.32 95.04 3hmj s GLY 542 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.35 3hmj s GLY 542 CO 0.00 -1.49 0.28 0.69 0.00 0.00 0.00 173.10 172.58 3hmj n PHE 543 N 0.12 -1.29 -0.49 1.90 3.72 -1.26 -0.51 117.46 119.64 3hmj n PHE 543 Ca -0.12 -1.32 0.40 0.00 -0.05 0.00 0.00 57.45 56.36 3hmj n PHE 543 Cb 0.59 -0.27 0.66 0.00 -0.94 0.00 0.00 39.48 39.52 3hmj n PHE 543 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hmj n LYS 544 N -1.34 -0.03 0.05 -1.08 4.81 -0.43 -2.38 118.16 117.77 3hmj n LYS 544 Ca 0.01 1.13 -0.12 0.00 -0.87 0.00 0.00 58.31 58.46 3hmj n LYS 544 Cb 0.36 -2.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 3hmj n LYS 544 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3hmj h GLN 545 N 0.00 -0.08 -1.00 1.64 7.50 -1.87 -3.16 115.11 118.14 3hmj h GLN 545 Ca 0.83 0.01 0.23 0.00 0.50 0.00 0.00 58.65 60.22 3hmj h GLN 545 Cb 2.84 0.02 -0.12 0.00 0.05 0.00 0.00 27.48 30.27 3hmj h GLN 545 CO -0.34 -0.05 0.60 0.93 -1.50 0.00 0.00 178.83 178.46 3hmj h GLU 546 N -0.08 0.61 0.00 1.46 5.08 -1.81 0.20 114.58 120.03 3hmj h GLU 546 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hmj h GLU 546 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hmj h GLU 546 CO -0.03 0.40 0.27 0.82 -1.00 0.00 0.00 179.01 179.48 3hmj h ILE 547 N 0.63 0.00 0.00 3.13 2.04 -1.75 -2.91 117.51 118.65 3hmj h ILE 547 Ca 0.63 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.49 3hmj h ILE 547 Cb 1.14 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3hmj h ILE 547 CO -0.45 0.00 -0.13 0.49 0.00 0.00 0.00 178.15 178.06 3hmj n PHE 548 N -2.82 0.00 -2.19 1.37 3.01 0.65 -4.81 117.46 112.66 3hmj n PHE 548 Ca -0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 3hmj n PHE 548 Cb 0.32 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.78 3hmj n PHE 548 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hmj s ASP 549 N -0.94 6.39 -0.12 4.37 2.15 -0.92 -4.41 116.67 123.18 3hmj s ASP 549 Ca 0.00 2.47 0.02 0.00 0.43 0.00 0.00 52.55 55.47 3hmj s ASP 549 Cb 0.00 -2.62 -0.24 0.00 -0.30 0.00 0.00 42.92 39.76 3hmj s ASP 549 CO 0.00 -0.78 0.36 0.52 -0.17 0.00 0.00 175.17 175.10 3hmj n VAL 550 N 0.03 1.67 -0.62 1.11 0.31 -1.26 0.18 118.33 119.75 3hmj n VAL 550 Ca 0.04 -0.71 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 3hmj n VAL 550 Cb 0.45 -1.39 0.21 0.00 -0.91 0.00 0.00 33.84 32.21 3hmj n VAL 550 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hmj s THR 551 N -2.56 2.06 -1.48 2.52 2.01 -1.26 -4.41 115.64 112.52 3hmj s THR 551 Ca -0.18 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3hmj s THR 551 Cb 0.07 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.55 3hmj s THR 551 CO 0.77 -0.02 0.82 -1.54 -0.69 0.00 0.00 174.62 173.96 3hmj n SER 552 N -4.57 0.00 0.19 3.53 3.41 -1.26 -1.40 113.62 113.51 3hmj n SER 552 Ca 0.07 0.24 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 3hmj n SER 552 Cb 0.53 -0.26 0.46 0.00 -0.26 0.00 0.00 64.21 64.68 3hmj n SER 552 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3hmj h ASN 553 N 0.00 0.00 0.25 4.04 -0.73 -1.94 -2.92 115.58 114.28 3hmj h ASN 553 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3hmj h ASN 553 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 3hmj h ASN 553 CO 0.00 0.00 -0.38 0.61 -0.37 0.00 0.00 177.43 177.29 3hmj n GLY 554 N 0.53 -0.70 3.09 1.57 0.00 -0.49 -4.55 105.19 104.65 3hmj n GLY 554 Ca 0.03 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3hmj n GLY 554 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hmj s LEU 555 N -2.64 5.31 -0.19 0.99 2.96 -1.10 -3.83 118.68 120.18 3hmj s LEU 555 Ca 0.20 -3.12 -0.00 0.00 -0.22 0.00 0.00 54.13 50.99 3hmj s LEU 555 Cb 0.19 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3hmj s LEU 555 CO 0.59 -0.31 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.61 3hmj s LYS 556 N -0.45 3.10 0.30 1.98 1.02 -1.26 -5.01 119.74 119.42 3hmj s LYS 556 Ca 0.20 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.49 3hmj s LYS 556 Cb -0.16 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 3hmj s LYS 556 CO -0.06 -0.19 0.24 0.15 -0.92 0.00 0.00 175.35 174.57 3hmj s LYS 557 N 1.31 2.76 0.17 1.68 1.02 -1.26 -4.94 119.74 120.48 3hmj s LYS 557 Ca 0.04 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 3hmj s LYS 557 Cb -0.13 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 3hmj s LYS 557 CO -0.10 0.22 0.37 -0.80 -0.92 0.00 0.00 175.35 174.12 3hmj s ASN 558 N -3.92 6.41 0.41 2.83 0.02 -1.26 -5.07 114.94 114.37 3hmj s ASN 558 Ca 0.37 0.44 -0.25 0.00 -1.02 0.00 0.00 52.86 52.40 3hmj s ASN 558 Cb -0.06 -2.03 -0.08 0.00 0.02 0.00 0.00 41.25 39.10 3hmj s ASN 558 CO 0.25 0.01 1.20 -2.84 0.02 0.00 0.00 177.10 175.74 3hmj s PRO 559 N -3.04 3.96 -0.68 -0.60 0.02 -1.26 -4.38 135.00 129.01 3hmj s PRO 559 Ca 0.39 1.90 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3hmj s PRO 559 Cb -0.12 -2.64 0.34 0.00 0.02 0.00 0.00 34.50 32.11 3hmj s PRO 559 CO 0.28 -0.41 1.16 -1.71 -0.33 0.00 0.00 177.00 175.99 3hmj n ASN 560 N -0.04 5.19 0.00 2.53 2.85 -1.26 -3.44 115.26 121.09 3hmj n ASN 560 Ca 0.05 -3.69 0.00 0.00 -0.11 0.00 0.00 54.58 50.83 3hmj n ASN 560 Cb 0.46 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 40.78 3hmj n ASN 560 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 3hmj n TRP 561 N -0.21 0.00 0.00 1.20 8.01 -1.23 0.02 117.44 125.23 3hmj n TRP 561 Ca 0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.54 3hmj n TRP 561 Cb 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 3hmj n TRP 561 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 3hmj n LEU 562 N 0.00 0.00 0.36 -0.99 0.00 -1.25 0.11 117.00 115.23 3hmj n LEU 562 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 56.01 55.89 3hmj n LEU 562 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 43.42 43.32 3hmj n LEU 562 CO 0.00 -0.02 0.52 -0.33 0.00 0.00 0.00 177.39 177.56 3hmj h GLU 563 N 0.00 -0.88 -0.86 1.96 5.08 -0.80 -1.82 114.58 117.26 3hmj h GLU 563 Ca 0.00 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3hmj h GLU 563 Cb 0.00 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 3hmj h GLU 563 CO 0.00 -0.55 -0.55 0.93 -1.00 0.00 0.00 179.01 177.84 3hmj h GLU 564 N -1.08 -0.06 -2.42 2.33 4.39 -0.26 -2.41 114.58 115.06 3hmj h GLU 564 Ca -0.09 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.90 3hmj h GLU 564 Cb 0.73 0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 29.05 3hmj h GLU 564 CO 0.15 -0.04 0.23 0.66 -1.16 0.00 0.00 179.01 178.86 3hmj n TYR 565 N -5.14 3.11 -3.52 4.33 4.02 0.30 -4.99 117.16 115.27 3hmj n TYR 565 Ca 0.01 -3.24 -0.42 0.00 -0.01 0.00 0.00 57.90 54.25 3hmj n TYR 565 Cb 0.26 -0.91 -0.09 0.00 -0.02 0.00 0.00 39.34 38.58 3hmj n TYR 565 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3hmj s HIS 566 N -3.33 3.31 0.42 -0.72 2.46 -0.69 -4.61 115.29 112.13 3hmj s HIS 566 Ca 0.39 -1.35 -0.14 0.00 0.47 0.00 0.00 55.06 54.43 3hmj s HIS 566 Cb 0.16 -3.09 -0.12 0.00 -0.13 0.00 0.00 32.58 29.41 3hmj s HIS 566 CO -0.04 -0.85 -0.13 -2.30 -2.47 0.00 0.00 174.74 168.95 3hmj n PRO 567 N 5.02 0.00 -4.19 2.88 -0.02 -1.26 -4.99 135.00 132.44 3hmj n PRO 567 Ca -0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 3hmj n PRO 567 Cb 0.43 -0.78 -0.06 0.00 -0.02 0.00 0.00 33.50 33.06 3hmj n PRO 567 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hmj s LYS 568 N -0.84 1.83 0.24 -0.52 1.02 -0.96 -4.99 119.74 115.52 3hmj s LYS 568 Ca 0.44 -1.89 0.11 0.00 0.02 0.00 0.00 55.97 54.65 3hmj s LYS 568 Cb -0.37 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3hmj s LYS 568 CO 0.53 -0.72 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.53 3hmj s LEU 569 N -3.31 2.53 -0.06 3.17 1.43 -1.26 -1.10 118.68 120.08 3hmj s LEU 569 Ca 0.36 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 3hmj s LEU 569 Cb 0.01 -1.05 0.09 0.00 0.03 0.00 0.00 46.19 45.27 3hmj s LEU 569 CO 0.24 0.03 0.78 -0.51 0.23 0.00 0.00 176.35 177.12 3hmj s ILE 570 N -2.29 0.00 -0.11 -0.59 2.07 -0.91 -4.49 121.20 114.88 3hmj s ILE 570 Ca 0.26 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 3hmj s ILE 570 Cb -0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 3hmj s ILE 570 CO 0.12 0.00 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.46 3hmj s LYS 571 N -1.52 3.14 1.01 3.50 1.02 -0.63 -1.25 119.74 125.01 3hmj s LYS 571 Ca -0.06 -0.72 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 3hmj s LYS 571 Cb -0.00 -2.53 0.20 0.00 -0.52 0.00 0.00 37.83 34.97 3hmj s LYS 571 CO 0.04 0.30 1.08 1.21 -0.92 0.00 0.00 175.35 177.06 3hmj s ASN 572 N 0.11 2.37 0.04 2.83 3.04 0.52 -0.25 114.94 123.61 3hmj s ASN 572 Ca -0.07 1.57 -0.21 0.00 0.04 0.00 0.00 52.86 54.19 3hmj s ASN 572 Cb -0.15 -2.24 -0.14 0.00 -1.54 0.00 0.00 41.25 37.18 3hmj s ASN 572 CO 0.05 -3.34 1.41 0.50 -3.04 0.00 0.00 177.10 172.68 3hmj h LYS 573 N -2.03 0.28 0.00 0.43 3.64 -0.36 -1.54 116.57 116.98 3hmj h LYS 573 Ca -0.53 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 3hmj h LYS 573 Cb 1.30 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hmj h LYS 573 CO 0.51 0.59 0.02 0.43 -2.27 0.00 0.00 179.45 178.73 3hmj n SER 574 N -4.68 0.00 -1.88 4.20 7.64 -1.26 -4.80 113.62 112.84 3hmj n SER 574 Ca -0.06 0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.82 3hmj n SER 574 Cb 0.28 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3hmj n SER 574 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hmj n GLY 575 N -1.05 0.27 3.88 0.23 0.00 -0.58 -5.04 105.19 102.91 3hmj n GLY 575 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3hmj n GLY 575 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hmj s LYS 576 N -5.40 3.75 -0.10 1.61 2.20 -1.26 -4.76 119.74 115.78 3hmj s LYS 576 Ca 0.21 0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 56.05 3hmj s LYS 576 Cb -0.09 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3hmj s LYS 576 CO 0.32 0.17 0.03 0.42 -0.36 0.00 0.00 175.35 175.92 3hmj s ILE 577 N -2.09 4.58 -0.02 5.43 1.01 -1.26 -0.35 121.20 128.50 3hmj s ILE 577 Ca 0.48 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.04 3hmj s ILE 577 Cb -0.11 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 3hmj s ILE 577 CO 0.27 0.60 -0.17 -0.36 0.00 0.00 0.00 174.94 175.28 3hmj s PHE 578 N -0.80 1.56 -0.82 3.97 0.08 -0.38 -4.96 117.98 116.63 3hmj s PHE 578 Ca 0.12 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.59 3hmj s PHE 578 Cb -0.12 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3hmj s PHE 578 CO 0.03 -0.05 1.47 0.08 -0.10 0.00 0.00 175.22 176.64 3hmj s VAL 579 N -0.30 3.70 -0.31 -0.44 1.01 -1.26 -2.14 120.40 120.66 3hmj s VAL 579 Ca 0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3hmj s VAL 579 Cb -0.08 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.55 3hmj s VAL 579 CO -0.00 -1.67 1.48 -0.70 0.00 0.00 0.00 175.10 174.21 3hmj s GLU 580 N 5.81 3.72 0.36 2.72 2.12 -0.26 -4.56 118.70 128.61 3hmj s GLU 580 Ca 0.46 1.31 0.05 0.00 0.36 0.00 0.00 54.97 57.14 3hmj s GLU 580 Cb -0.06 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 3hmj s GLU 580 CO 0.07 -1.38 0.18 0.95 -0.54 0.00 0.00 175.26 174.54 3hmj s THR 581 N 5.20 0.35 0.37 -1.70 -4.23 -1.26 -2.26 115.64 112.11 3hmj s THR 581 Ca 0.65 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 3hmj s THR 581 Cb -0.19 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.54 3hmj s THR 581 CO 0.29 0.00 1.91 0.50 -0.54 0.00 0.00 174.62 176.78 3hmj h LYS 582 N 1.99 0.65 0.03 3.99 3.64 -1.94 -0.52 116.57 124.41 3hmj h LYS 582 Ca -0.32 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3hmj h LYS 582 Cb 1.26 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hmj h LYS 582 CO 0.49 0.43 -0.02 0.35 -2.27 0.00 0.00 179.45 178.44 3hmj h PHE 583 N 0.67 -0.04 -0.35 1.91 -0.00 -1.96 -3.22 116.94 113.95 3hmj h PHE 583 Ca 0.38 -0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.45 3hmj h PHE 583 Cb 0.55 0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 36.50 3hmj h PHE 583 CO -0.00 -0.02 0.25 0.66 -0.00 0.00 0.00 178.31 179.20 3hmj h SER 584 N -0.07 0.00 -0.52 0.41 4.64 -1.76 0.19 113.55 116.44 3hmj h SER 584 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3hmj h SER 584 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3hmj h SER 584 CO 0.01 0.00 0.35 0.50 -0.87 0.00 0.00 176.83 176.82 3hmj h LYS 585 N 0.00 0.43 0.00 4.77 1.63 -1.19 0.22 116.57 122.42 3hmj h LYS 585 Ca 0.17 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3hmj h LYS 585 Cb 0.67 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3hmj h LYS 585 CO -0.00 0.28 -0.32 1.25 -3.45 0.00 0.00 179.45 177.21 3hmj h LEU 586 N 0.44 0.00 -0.19 5.20 6.46 -0.55 -1.20 115.31 125.47 3hmj h LEU 586 Ca 0.23 -0.71 -0.07 0.00 -0.12 0.00 0.00 57.88 57.22 3hmj h LEU 586 Cb 0.34 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3hmj h LEU 586 CO -0.06 1.04 -0.31 -0.29 -0.62 0.00 0.00 178.44 178.19 3hmj h ILE 587 N -1.00 0.57 -0.55 4.05 2.10 -1.34 -2.68 117.51 118.65 3hmj h ILE 587 Ca -0.08 -1.69 -0.12 0.00 1.08 0.00 0.00 64.86 64.04 3hmj h ILE 587 Cb 0.92 2.20 -0.03 0.00 -1.09 0.00 0.00 36.82 38.82 3hmj h ILE 587 CO -0.05 0.31 -0.13 0.61 -1.08 0.00 0.00 178.15 177.81 3hmj n GLY 588 N 1.01 0.49 3.33 8.18 0.00 0.75 -4.62 105.19 114.32 3hmj n GLY 588 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 3hmj n GLY 588 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hmj s ARG 589 N -3.37 1.65 0.35 1.61 0.52 -1.25 -4.65 118.95 113.82 3hmj s ARG 589 Ca 0.00 -1.84 -0.27 0.00 -0.52 0.00 0.00 55.73 53.10 3hmj s ARG 589 Cb 0.00 0.35 -0.12 0.00 0.52 0.00 0.00 34.95 35.70 3hmj s ARG 589 CO 0.00 -0.62 1.20 -2.30 0.02 0.00 0.00 175.30 173.60 3hmj n PRO 590 N -0.52 1.87 -0.59 3.54 -0.02 -1.26 -4.49 135.00 133.52 3hmj n PRO 590 Ca 0.04 0.66 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 3hmj n PRO 590 Cb 0.63 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 3hmj n PRO 590 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hmj n PRO 591 N 0.47 1.19 -3.99 0.52 -0.02 -1.26 -4.76 135.00 127.14 3hmj n PRO 591 Ca 0.06 -0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 60.82 3hmj n PRO 591 Cb 0.36 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 3hmj n PRO 591 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hmj s LEU 592 N 0.00 2.01 -0.04 2.45 1.43 -1.26 -1.75 118.68 121.52 3hmj s LEU 592 Ca 0.39 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 3hmj s LEU 592 Cb 0.19 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.31 3hmj s LEU 592 CO 0.00 0.02 0.15 -1.48 0.23 0.00 0.00 176.35 175.27 3hmj s LEU 593 N -0.10 1.44 -0.53 1.79 2.34 -0.90 -3.95 118.68 118.77 3hmj s LEU 593 Ca 0.00 0.19 -0.25 0.00 0.06 0.00 0.00 54.13 54.14 3hmj s LEU 593 Cb -0.01 0.57 0.04 0.00 -0.56 0.00 0.00 46.19 46.23 3hmj s LEU 593 CO -0.00 -0.13 0.96 -0.69 -1.06 0.00 0.00 176.35 175.42 3hmj s VAL 594 N -0.27 4.38 0.72 1.48 1.01 -0.76 -2.01 120.40 124.95 3hmj s VAL 594 Ca -0.04 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 3hmj s VAL 594 Cb -0.03 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 31.86 3hmj s VAL 594 CO 0.01 -1.07 1.16 -2.16 0.00 0.00 0.00 175.10 173.04 3hmj s PRO 595 N 3.98 2.30 0.32 2.72 0.04 -1.26 -2.38 135.00 140.72 3hmj s PRO 595 Ca 0.33 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 3hmj s PRO 595 Cb -0.12 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 3hmj s PRO 595 CO 0.21 -1.68 1.43 0.41 0.04 0.00 0.00 177.00 177.42 3hmj n GLY 596 N -0.01 0.95 3.06 0.56 0.00 -1.24 -4.67 105.19 103.84 3hmj n GLY 596 Ca 0.12 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 3hmj n GLY 596 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hmj s MET 597 N -1.34 0.21 0.00 1.61 -1.94 -1.26 -4.99 119.30 111.59 3hmj s MET 597 Ca 0.59 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 3hmj s MET 597 Cb -0.54 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.29 3hmj s MET 597 CO 0.57 -0.10 0.73 0.25 -0.01 0.00 0.00 175.02 176.47 3hmj n THR 598 N 3.60 0.00 -0.26 2.05 -2.24 -1.26 0.33 114.28 116.49 3hmj n THR 598 Ca -0.19 1.23 0.01 0.00 -2.27 0.00 0.00 64.05 62.83 3hmj n THR 598 Cb 0.56 -2.23 0.14 0.00 -2.10 0.00 0.00 70.33 66.70 3hmj n THR 598 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hmj h PRO 599 N 0.00 0.70 -0.00 -0.78 0.11 -1.97 -2.10 132.00 127.97 3hmj h PRO 599 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3hmj h PRO 599 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3hmj h PRO 599 CO 0.00 0.47 -0.02 0.00 -0.21 0.00 0.00 178.00 178.23 3hmj n THR 601 N -4.72 0.00 -0.22 0.00 -1.04 0.15 -3.83 114.28 104.62 3hmj n THR 601 Ca -0.09 -0.15 -0.02 0.00 -2.04 0.00 0.00 64.05 61.75 3hmj n THR 601 Cb 0.37 0.26 0.17 0.00 -1.82 0.00 0.00 70.33 69.31 3hmj n THR 601 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3hmj h VAL 602 N 1.39 1.23 -2.72 12.58 3.04 -1.36 -2.87 116.25 127.54 3hmj h VAL 602 Ca 0.00 -0.65 -0.56 0.00 -1.01 0.00 0.00 66.70 64.48 3hmj h VAL 602 Cb 0.43 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 30.02 3hmj h VAL 602 CO 0.00 0.27 1.05 -0.55 -1.01 0.00 0.00 177.57 177.33 3hmj s SER 603 N -6.42 6.68 0.46 3.17 0.15 -1.25 -4.79 113.70 111.70 3hmj s SER 603 Ca -0.11 1.96 0.13 0.00 0.70 0.00 0.00 55.95 58.63 3hmj s SER 603 Cb 0.16 -2.53 1.08 0.00 -1.71 0.00 0.00 66.02 63.02 3hmj s SER 603 CO 0.81 -0.95 2.08 1.55 1.20 0.00 0.00 173.24 177.92 3hmj h PRO 604 N 9.44 0.28 0.59 5.44 0.13 -1.90 -2.40 132.00 143.56 3hmj h PRO 604 Ca -0.35 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3hmj h PRO 604 Cb 1.15 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3hmj h PRO 604 CO 0.97 0.18 -0.47 -0.44 -0.23 0.00 0.00 178.00 178.01 3hmj h ASP 605 N 0.28 -1.24 -0.05 1.44 3.32 -1.94 -0.40 116.42 117.83 3hmj h ASP 605 Ca 0.12 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3hmj h ASP 605 Cb 0.14 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3hmj h ASP 605 CO -0.03 -0.67 -0.06 0.15 -1.72 0.00 0.00 179.24 176.92 3hmj h PHE 606 N -1.03 0.27 -0.03 4.55 3.57 -1.62 0.94 116.94 123.59 3hmj h PHE 606 Ca -0.07 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.22 3hmj h PHE 606 Cb 0.87 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3hmj h PHE 606 CO -0.19 0.33 -0.79 -0.24 -2.23 0.00 0.00 178.31 175.20 3hmj h VAL 607 N 0.26 1.44 0.47 1.41 3.04 -1.34 -1.19 116.25 120.34 3hmj h VAL 607 Ca 0.06 -2.36 -0.02 0.00 -1.01 0.00 0.00 66.70 63.36 3hmj h VAL 607 Cb 0.28 2.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3hmj h VAL 607 CO 0.01 0.69 -0.22 0.00 -1.01 0.00 0.00 177.57 177.04 3hmj h ALA 608 N 1.00 -1.01 -0.82 3.17 0.00 -0.58 -2.05 119.26 118.97 3hmj h ALA 608 Ca -0.04 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.94 3hmj h ALA 608 Cb 1.38 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 19.27 3hmj h ALA 608 CO 0.12 -0.97 0.05 0.00 0.00 0.00 0.00 179.25 178.46 3hmj h ALA 609 N -1.63 0.93 -0.18 0.00 0.00 -0.84 0.59 119.26 118.14 3hmj h ALA 609 Ca -0.06 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3hmj h ALA 609 Cb 0.48 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hmj h ALA 609 CO 0.11 -0.45 -0.34 1.15 0.00 0.00 0.00 179.25 179.72 3hmj h THR 610 N 0.11 1.28 0.03 0.00 2.02 -1.28 -0.10 112.91 114.97 3hmj h THR 610 Ca 0.47 -1.39 -0.24 0.00 0.77 0.00 0.00 66.41 66.02 3hmj h THR 610 Cb 0.87 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3hmj h THR 610 CO -0.71 0.43 -1.18 0.00 0.37 0.00 0.00 175.52 174.43 3hmj h THR 611 N 0.31 1.52 -0.15 3.16 1.03 0.33 -2.74 112.91 116.37 3hmj h THR 611 Ca 0.04 -3.22 -0.12 0.00 -0.01 0.00 0.00 66.41 63.09 3hmj h THR 611 Cb 0.75 2.79 -0.01 0.00 -1.07 0.00 0.00 68.15 70.61 3hmj h THR 611 CO 0.06 0.88 -0.43 0.78 -0.01 0.00 0.00 175.52 176.80 3hmj h ASN 612 N 0.02 0.38 0.00 0.00 -0.26 0.15 -1.39 115.58 114.47 3hmj h ASN 612 Ca -0.09 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 3hmj h ASN 612 Cb 1.85 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 39.01 3hmj h ASN 612 CO 0.14 0.77 0.00 0.00 -1.06 0.00 0.00 177.43 177.27 3hmj n ALA 613 N -2.48 1.92 -1.34 -0.83 0.00 -0.07 -4.80 120.51 112.91 3hmj n ALA 613 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3hmj n ALA 613 Cb 0.51 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3hmj n ALA 613 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmj n GLY 614 N -0.14 0.61 3.23 0.00 0.00 -0.53 -4.94 105.19 103.41 3hmj n GLY 614 Ca 0.03 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 3hmj n GLY 614 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hmj s TYR 615 N -2.00 1.62 -0.01 1.61 1.51 -1.04 -4.56 117.35 114.48 3hmj s TYR 615 Ca 0.00 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 3hmj s TYR 615 Cb 0.00 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.86 3hmj s TYR 615 CO 0.00 0.10 1.39 -0.08 -1.11 0.00 0.00 175.55 175.85 3hmj s THR 616 N -0.94 3.76 0.04 -0.71 -1.32 -1.25 -3.67 115.64 111.55 3hmj s THR 616 Ca 0.05 1.13 0.03 0.00 -1.21 0.00 0.00 61.69 61.69 3hmj s THR 616 Cb -0.09 -3.73 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 3hmj s THR 616 CO 0.02 -0.01 -0.10 -0.51 -2.21 0.00 0.00 174.62 171.82 3hmj s ILE 617 N 2.44 0.76 -0.30 5.08 2.07 -1.26 -1.83 121.20 128.15 3hmj s ILE 617 Ca 0.63 -1.00 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 3hmj s ILE 617 Cb -0.31 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 3hmj s ILE 617 CO 0.26 -0.21 0.14 -1.61 -1.91 0.00 0.00 174.94 171.62 3hmj s GLU 618 N -1.33 3.38 -0.03 3.50 2.02 -1.00 -2.78 118.70 122.46 3hmj s GLU 618 Ca -0.04 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 3hmj s GLU 618 Cb -0.09 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.54 3hmj s GLU 618 CO 0.01 -0.38 1.66 -1.17 0.02 0.00 0.00 175.26 175.40 3hmj s LEU 619 N 1.62 4.34 -0.10 1.80 2.96 0.18 -3.70 118.68 125.77 3hmj s LEU 619 Ca 0.05 2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 55.96 3hmj s LEU 619 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3hmj s LEU 619 CO 0.06 -0.92 1.53 0.00 -1.32 0.00 0.00 176.35 175.70 3hmj s ALA 620 N 3.79 3.62 0.25 5.97 0.00 -1.08 -1.37 121.76 132.93 3hmj s ALA 620 Ca 0.74 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.55 3hmj s ALA 620 Cb -0.35 -3.71 0.27 0.00 0.00 0.00 0.00 23.12 19.33 3hmj s ALA 620 CO 0.31 -1.35 1.56 0.78 0.00 0.00 0.00 175.76 177.05 3hmj h GLY 621 N 10.14 0.05 -0.05 0.00 0.00 -0.78 -3.28 103.07 109.15 3hmj h GLY 621 Ca -0.35 -0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.09 3hmj h GLY 621 CO 0.96 0.07 0.85 -1.33 0.00 0.00 0.00 176.54 177.08 3hmj h GLY 622 N 1.90 0.00 -2.18 4.60 0.00 -1.90 -0.47 103.07 105.01 3hmj h GLY 622 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3hmj h GLY 622 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 3hmj n GLY 623 N -1.57 2.42 3.30 4.60 0.00 -1.24 -4.95 105.19 107.75 3hmj n GLY 623 Ca 0.13 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 3hmj n GLY 623 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hmj s TYR 624 N -1.05 1.80 0.00 1.61 1.51 -0.19 -5.04 117.35 115.98 3hmj s TYR 624 Ca 0.39 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3hmj s TYR 624 Cb 0.21 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 3hmj s TYR 624 CO 0.27 0.25 0.12 1.19 -1.11 0.00 0.00 175.55 176.27 3hmj n PHE 625 N 0.79 0.00 -3.65 2.71 0.99 -1.26 -4.98 117.46 112.06 3hmj n PHE 625 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.15 3hmj n PHE 625 Cb 0.55 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.97 3hmj n PHE 625 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3hmj s SER 626 N -0.12 -0.31 0.32 4.37 1.04 -1.26 -4.96 113.70 112.78 3hmj s SER 626 Ca 0.00 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.55 3hmj s SER 626 Cb 0.00 0.43 0.76 0.00 0.10 0.00 0.00 66.02 67.31 3hmj s SER 626 CO 0.00 -0.66 1.81 0.00 0.98 0.00 0.00 173.24 175.37 3hmj h ALA 627 N 3.02 1.74 -0.54 5.32 0.00 -1.98 -2.17 119.26 124.66 3hmj h ALA 627 Ca -0.31 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3hmj h ALA 627 Cb 1.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3hmj h ALA 627 CO 0.43 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.52 3hmj h ALA 628 N 1.61 0.81 -0.12 0.00 0.00 -1.96 0.06 119.26 119.66 3hmj h ALA 628 Ca 0.53 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3hmj h ALA 628 Cb 0.83 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hmj h ALA 628 CO -0.30 0.66 -0.68 0.78 0.00 0.00 0.00 179.25 179.71 3hmj h GLY 629 N 0.95 0.56 1.64 0.00 0.00 -1.81 -2.35 103.07 102.07 3hmj h GLY 629 Ca 0.14 -0.74 -0.24 0.00 0.00 0.00 0.00 47.33 46.50 3hmj h GLY 629 CO 0.04 0.66 -1.04 1.98 0.00 0.00 0.00 176.54 178.18 3hmj h MET 630 N 0.36 0.30 -0.61 4.80 4.05 -1.42 -2.93 114.93 119.48 3hmj h MET 630 Ca -0.02 -0.39 0.08 0.00 -0.28 0.00 0.00 59.70 59.09 3hmj h MET 630 Cb 1.25 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 32.14 3hmj h MET 630 CO 0.12 1.11 0.40 1.15 0.23 0.00 0.00 176.91 179.93 3hmj h THR 631 N 0.14 0.96 -0.34 -0.77 2.02 -0.94 0.11 112.91 114.08 3hmj h THR 631 Ca -0.09 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3hmj h THR 631 Cb 1.72 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3hmj h THR 631 CO 0.17 0.10 0.18 0.00 0.37 0.00 0.00 175.52 176.34 3hmj h ALA 632 N 1.68 0.42 0.06 6.16 0.00 -1.23 -2.46 119.26 123.88 3hmj h ALA 632 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hmj h ALA 632 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hmj h ALA 632 CO -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 178.96 3hmj h ALA 633 N 1.17 -0.07 -1.13 0.00 0.00 -1.22 -2.36 119.26 115.65 3hmj h ALA 633 Ca 0.14 -0.31 0.31 0.00 0.00 0.00 0.00 54.91 55.05 3hmj h ALA 633 Cb 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3hmj h ALA 633 CO -0.08 -0.17 0.76 0.82 0.00 0.00 0.00 179.25 180.57 3hmj h ILE 634 N -0.81 0.44 0.04 0.00 2.04 -0.87 0.60 117.51 118.95 3hmj h ILE 634 Ca -0.01 -0.07 -0.23 0.00 1.00 0.00 0.00 64.86 65.55 3hmj h ILE 634 Cb 0.64 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3hmj h ILE 634 CO 0.01 0.04 -1.06 0.44 0.00 0.00 0.00 178.15 177.58 3hmj h ASP 635 N 0.22 0.13 0.03 1.72 3.32 -1.40 -1.81 116.42 118.62 3hmj h ASP 635 Ca 0.61 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.52 3hmj h ASP 635 Cb 1.90 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.41 3hmj h ASP 635 CO -0.20 1.10 -0.02 -1.28 -1.72 0.00 0.00 179.24 177.12 3hmj h SER 636 N 0.02 -0.04 -0.47 6.45 0.87 0.32 -1.79 113.55 118.92 3hmj h SER 636 Ca -0.05 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 60.31 3hmj h SER 636 Cb 1.81 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 63.69 3hmj h SER 636 CO 0.15 0.28 -0.12 0.58 -0.53 0.00 0.00 176.83 177.19 3hmj h VAL 637 N -0.35 0.53 -0.75 2.23 2.07 -0.07 -2.04 116.25 117.87 3hmj h VAL 637 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hmj h VAL 637 Cb 0.33 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3hmj h VAL 637 CO 0.01 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.55 3hmj h VAL 638 N -0.00 1.24 -0.41 2.57 2.07 -1.30 -0.74 116.25 119.67 3hmj h VAL 638 Ca 0.22 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.21 3hmj h VAL 638 Cb 0.35 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hmj h VAL 638 CO -0.48 0.27 0.29 -1.28 0.02 0.00 0.00 177.57 176.39 3hmj h SER 639 N 1.05 0.04 0.11 0.57 0.87 -0.61 -2.99 113.55 112.59 3hmj h SER 639 Ca 0.26 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.62 3hmj h SER 639 Cb 0.09 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3hmj h SER 639 CO -0.04 0.02 -2.09 0.00 -0.53 0.00 0.00 176.83 174.20 3hmj n GLN 640 N -4.43 0.67 -1.59 2.24 6.02 -0.77 -4.94 117.38 114.58 3hmj n GLN 640 Ca 0.07 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 3hmj n GLN 640 Cb 0.46 -1.57 0.05 0.00 1.02 0.00 0.00 30.24 30.20 3hmj n GLN 640 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hmj s ILE 641 N -2.94 3.91 0.75 5.09 2.07 -0.35 -4.96 121.20 124.77 3hmj s ILE 641 Ca -0.08 0.66 -0.12 0.00 -1.41 0.00 0.00 60.65 59.70 3hmj s ILE 641 Cb 0.09 -3.34 0.04 0.00 0.13 0.00 0.00 42.46 39.39 3hmj s ILE 641 CO 0.86 -0.78 1.13 -0.70 -1.91 0.00 0.00 174.94 173.54 3hmj s GLU 642 N -4.90 2.46 0.58 3.50 2.56 -1.26 -4.94 118.70 116.71 3hmj s GLU 642 Ca 0.59 0.30 -0.20 0.00 0.00 0.00 0.00 54.97 55.66 3hmj s GLU 642 Cb -0.15 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 33.95 3hmj s GLU 642 CO 0.53 -1.28 1.29 1.63 -0.56 0.00 0.00 175.26 176.87 3hmj n LYS 643 N -3.14 1.41 -0.94 4.30 5.02 -1.26 -2.42 118.16 121.13 3hmj n LYS 643 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3hmj n LYS 643 Cb 0.59 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 3hmj n LYS 643 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hmj n GLY 644 N 0.87 0.15 3.95 0.72 0.00 -1.26 -4.97 105.19 104.65 3hmj n GLY 644 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3hmj n GLY 644 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hmj s SER 645 N -2.04 5.43 0.09 1.61 0.01 -1.02 -4.79 113.70 113.00 3hmj s SER 645 Ca 0.00 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 3hmj s SER 645 Cb 0.00 -1.27 -0.01 0.00 0.21 0.00 0.00 66.02 64.95 3hmj s SER 645 CO 0.00 -1.07 0.17 0.42 0.41 0.00 0.00 173.24 173.17 3hmj s THR 646 N -2.82 0.14 0.00 1.44 -4.23 -1.26 -4.79 115.64 104.12 3hmj s THR 646 Ca 0.54 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3hmj s THR 646 Cb -0.10 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3hmj s THR 646 CO 0.41 -0.65 0.00 2.22 -0.54 0.00 0.00 174.62 176.05 3hmj n PHE 647 N -0.06 -0.26 -4.18 3.99 1.16 -0.99 -4.84 117.46 112.29 3hmj n PHE 647 Ca -0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.31 3hmj n PHE 647 Cb 0.62 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.41 3hmj n PHE 647 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3hmj s GLY 648 N -0.84 1.48 -0.05 4.97 0.00 -1.12 -1.32 107.32 110.44 3hmj s GLY 648 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.11 3hmj s GLY 648 CO 0.00 -1.27 -0.14 -0.42 0.00 0.00 0.00 173.10 171.26 3hmj s ILE 649 N -3.92 1.25 -0.30 0.90 1.01 -0.66 0.48 121.20 119.97 3hmj s ILE 649 Ca 0.36 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 3hmj s ILE 649 Cb 0.04 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 3hmj s ILE 649 CO 0.15 0.37 0.16 0.21 0.00 0.00 0.00 174.94 175.84 3hmj s ASN 650 N 0.30 5.64 0.14 3.58 2.47 -0.47 -1.02 114.94 125.58 3hmj s ASN 650 Ca -0.08 -0.40 0.10 0.00 0.42 0.00 0.00 52.86 52.90 3hmj s ASN 650 Cb -0.13 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.60 3hmj s ASN 650 CO 0.03 -0.16 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.29 3hmj s LEU 651 N 1.65 2.60 -0.19 3.21 1.43 -0.51 0.00 118.68 126.88 3hmj s LEU 651 Ca 0.05 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3hmj s LEU 651 Cb -0.17 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3hmj s LEU 651 CO 0.07 0.16 0.08 -0.63 0.23 0.00 0.00 176.35 176.27 3hmj s ILE 652 N -1.29 5.00 0.11 -0.59 1.09 -1.26 -0.57 121.20 123.68 3hmj s ILE 652 Ca 0.18 0.04 -0.14 0.00 -1.10 0.00 0.00 60.65 59.63 3hmj s ILE 652 Cb -0.10 -3.26 -0.08 0.00 -1.06 0.00 0.00 42.46 37.96 3hmj s ILE 652 CO 0.10 0.46 1.43 0.22 -0.10 0.00 0.00 174.94 177.04 3hmj h TYR 653 N 6.65 0.91 0.00 3.97 3.20 -0.82 -2.91 116.97 127.97 3hmj h TYR 653 Ca -0.39 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.20 3hmj h TYR 653 Cb 1.16 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3hmj h TYR 653 CO 0.57 1.05 0.00 0.28 -1.64 0.00 0.00 178.16 178.42 3hmj n VAL 654 N -4.21 0.00 -3.86 1.81 0.31 -1.26 -3.93 118.33 107.19 3hmj n VAL 654 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.01 3hmj n VAL 654 Cb 0.50 -0.63 -0.12 0.00 -0.91 0.00 0.00 33.84 32.68 3hmj n VAL 654 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hmj s ASN 655 N -1.86 4.39 0.40 4.52 3.84 -1.10 -4.95 114.94 120.18 3hmj s ASN 655 Ca 0.09 -3.57 0.28 0.00 0.21 0.00 0.00 52.86 49.87 3hmj s ASN 655 Cb 0.04 -1.50 1.39 0.00 -0.55 0.00 0.00 41.25 40.63 3hmj s ASN 655 CO 0.07 -0.13 1.86 -0.65 -2.79 0.00 0.00 177.10 175.46 3hmj h PRO 656 N 5.69 0.00 0.13 0.43 0.11 -1.82 -1.93 132.00 134.60 3hmj h PRO 656 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3hmj h PRO 656 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3hmj h PRO 656 CO 0.67 0.00 -0.06 0.35 -0.21 0.00 0.00 178.00 178.75 3hmj h PHE 657 N 0.00 -0.16 -0.68 0.65 3.57 -1.93 -2.87 116.94 115.52 3hmj h PHE 657 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3hmj h PHE 657 Cb 0.17 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 3hmj h PHE 657 CO 0.00 0.24 0.33 1.98 -2.23 0.00 0.00 178.31 178.63 3hmj h MET 658 N -0.95 0.56 0.00 1.11 4.05 -1.85 -0.35 114.93 117.49 3hmj h MET 658 Ca -0.02 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3hmj h MET 658 Cb 0.47 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3hmj h MET 658 CO 0.03 0.37 0.00 -0.11 0.23 0.00 0.00 176.91 177.43 3hmj n LEU 659 N -4.87 0.60 -0.07 3.39 7.94 -0.75 -0.16 117.00 123.07 3hmj n LEU 659 Ca 0.10 0.75 -0.13 0.00 -1.11 0.00 0.00 56.01 55.62 3hmj n LEU 659 Cb 0.25 -0.80 -0.14 0.00 0.53 0.00 0.00 43.42 43.26 3hmj n LEU 659 CO 0.25 -0.90 -1.01 1.67 -1.11 0.00 0.00 177.39 176.30 3hmj n GLN 660 N -2.28 0.68 0.07 1.96 7.27 -0.16 -3.38 117.38 121.53 3hmj n GLN 660 Ca -0.01 0.14 0.11 0.00 0.07 0.00 0.00 57.00 57.31 3hmj n GLN 660 Cb 0.07 -1.61 -0.05 0.00 2.41 0.00 0.00 30.24 31.06 3hmj n GLN 660 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 3hmj n TRP 661 N -3.04 0.65 0.00 3.69 4.27 -1.06 -4.50 117.44 117.46 3hmj n TRP 661 Ca -0.32 0.19 -0.05 0.00 -3.89 0.00 0.00 57.50 53.43 3hmj n TRP 661 Cb 1.08 -0.80 -0.03 0.00 -1.36 0.00 0.00 31.31 30.19 3hmj n TRP 661 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 3hmj h GLY 662 N 4.02 -0.13 -0.05 -1.67 0.00 -0.71 -2.38 103.07 102.14 3hmj h GLY 662 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3hmj h GLY 662 CO 0.00 -0.05 -0.16 -2.22 0.00 0.00 0.00 176.54 174.11 3hmj h ILE 663 N -1.01 0.44 -0.02 2.60 1.08 -1.76 0.13 117.51 118.96 3hmj h ILE 663 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3hmj h ILE 663 Cb 0.27 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 3hmj h ILE 663 CO 0.02 0.00 -0.38 -0.65 -0.69 0.00 0.00 178.15 176.45 3hmj h PRO 664 N -0.05 -0.50 -1.00 2.37 0.11 -1.79 -0.79 132.00 130.36 3hmj h PRO 664 Ca 0.24 0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.56 3hmj h PRO 664 Cb 0.41 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.53 3hmj h PRO 664 CO -0.53 -0.33 0.62 1.25 -0.21 0.00 0.00 178.00 178.79 3hmj h LEU 665 N -0.52 0.77 0.02 2.35 7.12 -0.71 0.51 115.31 124.86 3hmj h LEU 665 Ca 0.06 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 3hmj h LEU 665 Cb 0.61 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 3hmj h LEU 665 CO -0.31 0.30 -0.01 0.40 -0.13 0.00 0.00 178.44 178.68 3hmj h ILE 666 N 0.76 1.16 -0.42 4.05 2.04 -0.60 -1.16 117.51 123.33 3hmj h ILE 666 Ca 0.56 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3hmj h ILE 666 Cb 0.87 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3hmj h ILE 666 CO -0.34 0.14 0.09 0.50 0.00 0.00 0.00 178.15 178.54 3hmj h LYS 667 N -0.27 0.69 -0.09 2.37 3.64 0.24 -0.33 116.57 122.82 3hmj h LYS 667 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3hmj h LYS 667 Cb 0.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hmj h LYS 667 CO 0.01 0.71 0.00 1.49 -2.27 0.00 0.00 179.45 179.39 3hmj h GLU 668 N 0.55 0.12 0.18 1.90 4.57 -0.08 -1.76 114.58 120.06 3hmj h GLU 668 Ca 0.13 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 58.05 3hmj h GLU 668 Cb 0.34 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3hmj h GLU 668 CO 0.00 0.13 -1.09 1.25 -1.18 0.00 0.00 179.01 178.13 3hmj h LEU 669 N 0.12 0.65 -0.86 1.64 5.85 -0.67 -3.17 115.31 118.87 3hmj h LEU 669 Ca 0.03 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.82 3hmj h LEU 669 Cb 0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3hmj h LEU 669 CO 0.00 1.52 0.49 0.03 -0.34 0.00 0.00 178.44 180.14 3hmj h ARG 670 N -0.11 1.20 -0.22 1.25 2.47 -0.89 -1.97 114.38 116.11 3hmj h ARG 670 Ca -0.19 -0.13 0.04 0.00 -1.26 0.00 0.00 59.98 58.44 3hmj h ARG 670 Cb 1.85 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 3hmj h ARG 670 CO 0.21 0.87 0.15 0.66 0.56 0.00 0.00 179.97 182.42 3hmj h SER 671 N 1.20 0.10 0.63 7.04 4.64 -1.37 0.45 113.55 126.23 3hmj h SER 671 Ca 0.31 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3hmj h SER 671 Cb 0.01 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hmj h SER 671 CO -0.05 0.07 -0.13 0.29 -0.87 0.00 0.00 176.83 176.14 3hmj n LYS 672 N -4.49 0.30 -0.65 4.77 5.02 -0.81 -4.92 118.16 117.38 3hmj n LYS 672 Ca 0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3hmj n LYS 672 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hmj n LYS 672 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hmj n GLY 673 N 1.39 1.39 3.77 0.72 0.00 0.16 -4.89 105.19 107.73 3hmj n GLY 673 Ca 0.10 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3hmj n GLY 673 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hmj s TYR 674 N -2.07 3.11 -1.54 1.61 1.51 -0.82 -1.19 117.35 117.97 3hmj s TYR 674 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 3hmj s TYR 674 Cb 0.00 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 3hmj s TYR 674 CO 0.00 -1.30 0.47 -2.30 -1.11 0.00 0.00 175.55 171.31 3hmj n PRO 675 N 0.24 0.61 -3.02 -1.71 -0.02 -1.26 -4.62 135.00 125.22 3hmj n PRO 675 Ca 0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.07 3hmj n PRO 675 Cb 0.46 -1.14 -0.04 0.00 -0.02 0.00 0.00 33.50 32.76 3hmj n PRO 675 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3hmj s ILE 676 N -1.54 4.69 -0.35 4.25 2.07 -1.26 -2.34 121.20 126.72 3hmj s ILE 676 Ca 0.00 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.38 3hmj s ILE 676 Cb 0.00 -4.58 0.44 0.00 0.13 0.00 0.00 42.46 38.45 3hmj s ILE 676 CO 0.00 -1.27 1.16 0.00 -1.91 0.00 0.00 174.94 172.92 3hmj n GLN 677 N 6.68 3.50 -3.62 3.50 6.02 -0.43 -4.92 117.38 128.11 3hmj n GLN 677 Ca -0.03 -4.29 -0.06 0.00 -0.01 0.00 0.00 57.00 52.61 3hmj n GLN 677 Cb 0.44 -2.25 -0.05 0.00 1.02 0.00 0.00 30.24 29.40 3hmj n GLN 677 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3hmj s PHE 678 N -3.58 -0.23 -0.13 1.08 -0.12 -1.25 -3.31 117.98 110.46 3hmj s PHE 678 Ca 0.49 0.45 0.01 0.00 -0.05 0.00 0.00 56.93 57.83 3hmj s PHE 678 Cb 0.41 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 43.24 3hmj s PHE 678 CO -0.05 -0.18 -0.15 -1.17 -0.05 0.00 0.00 175.22 173.62 3hmj s LEU 679 N -0.71 2.60 -0.05 -1.99 2.96 -1.17 -1.65 118.68 118.68 3hmj s LEU 679 Ca 0.04 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3hmj s LEU 679 Cb -0.02 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3hmj s LEU 679 CO -0.05 0.16 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.16 3hmj s THR 680 N 0.37 3.55 -0.15 3.68 2.01 -0.19 0.70 115.64 125.61 3hmj s THR 680 Ca -0.12 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3hmj s THR 680 Cb -0.16 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.91 3hmj s THR 680 CO 0.06 0.56 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.71 3hmj s ILE 681 N -0.83 2.03 0.34 1.82 1.01 0.80 -1.42 121.20 124.94 3hmj s ILE 681 Ca 0.13 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3hmj s ILE 681 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3hmj s ILE 681 CO 0.02 0.54 0.20 -0.83 0.00 0.00 0.00 174.94 174.87 3hmj s GLY 682 N 1.01 1.87 0.00 6.18 0.00 0.26 -3.28 107.32 113.36 3hmj s GLY 682 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.94 3hmj s GLY 682 CO -0.06 -1.68 0.00 0.00 0.00 0.00 0.00 173.10 171.35 3hmj n ALA 683 N -1.23 0.00 0.00 3.20 0.00 -1.26 -0.12 120.51 121.10 3hmj n ALA 683 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hmj n ALA 683 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3hmj n ALA 683 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmj n GLY 684 N -2.00 1.16 3.55 0.00 0.00 -1.26 -4.68 105.19 101.95 3hmj n GLY 684 Ca 0.00 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3hmj n GLY 684 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmj s VAL 685 N -2.00 5.23 0.96 1.61 1.01 -1.26 -4.76 120.40 121.19 3hmj s VAL 685 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 3hmj s VAL 685 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3hmj s VAL 685 CO 0.00 -0.00 0.17 -2.65 0.00 0.00 0.00 175.10 172.61 3hmj n PRO 686 N 5.24 -0.27 -2.35 2.72 -0.02 -1.26 -4.99 135.00 134.07 3hmj n PRO 686 Ca -0.11 -0.05 -0.27 0.00 -2.02 0.00 0.00 63.50 61.06 3hmj n PRO 686 Cb 0.50 -1.69 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3hmj n PRO 686 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hmj s SER 687 N -1.83 5.57 0.27 2.55 0.15 -1.26 -4.73 113.70 114.42 3hmj s SER 687 Ca 0.54 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.93 3hmj s SER 687 Cb -0.20 -1.72 0.60 0.00 -1.71 0.00 0.00 66.02 62.99 3hmj s SER 687 CO 0.70 -1.10 1.71 -0.07 1.20 0.00 0.00 173.24 175.69 3hmj h LEU 688 N -0.22 0.29 -0.66 3.45 4.07 -1.95 0.26 115.31 120.54 3hmj h LEU 688 Ca -0.45 0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.50 3hmj h LEU 688 Cb 1.26 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.10 3hmj h LEU 688 CO 0.61 0.04 -0.65 1.05 -1.08 0.00 0.00 178.44 178.41 3hmj h GLU 689 N 0.42 0.08 -0.08 1.13 9.09 -1.99 -1.06 114.58 122.18 3hmj h GLU 689 Ca 0.49 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 59.61 3hmj h GLU 689 Cb 0.85 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.97 3hmj h GLU 689 CO -0.48 0.70 -0.85 0.28 0.05 0.00 0.00 179.01 178.71 3hmj h VAL 690 N 0.06 1.32 0.15 -1.06 2.07 -1.20 -2.63 116.25 114.96 3hmj h VAL 690 Ca -0.01 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 3hmj h VAL 690 Cb 1.16 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3hmj h VAL 690 CO 0.09 0.66 -0.07 0.00 0.02 0.00 0.00 177.57 178.27 3hmj h ALA 691 N 0.65 -0.20 -0.95 1.67 0.00 -0.60 -2.88 119.26 116.94 3hmj h ALA 691 Ca -0.07 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 54.87 3hmj h ALA 691 Cb 1.47 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.21 3hmj h ALA 691 CO 0.16 -0.32 0.47 1.03 0.00 0.00 0.00 179.25 180.59 3hmj h SER 692 N -0.78 0.42 0.03 0.00 0.87 -1.28 0.28 113.55 113.09 3hmj h SER 692 Ca -0.02 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3hmj h SER 692 Cb 0.53 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 3hmj h SER 692 CO 0.03 -0.04 -0.35 -0.08 -0.53 0.00 0.00 176.83 175.86 3hmj h GLU 693 N 0.39 -0.50 -0.21 2.24 4.57 -1.42 -1.82 114.58 117.83 3hmj h GLU 693 Ca 0.64 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.89 3hmj h GLU 693 Cb 1.31 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.97 3hmj h GLU 693 CO -0.56 -0.33 -0.04 1.88 -1.18 0.00 0.00 179.01 178.78 3hmj h TYR 694 N -0.52 -0.08 0.27 0.92 0.05 -0.27 0.31 116.97 117.66 3hmj h TYR 694 Ca 0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3hmj h TYR 694 Cb 0.59 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 3hmj h TYR 694 CO -0.35 -0.07 -0.48 0.82 -1.05 0.00 0.00 178.16 177.03 3hmj h ILE 695 N 0.02 0.07 0.00 -2.88 2.04 -1.09 -1.95 117.51 113.72 3hmj h ILE 695 Ca 0.10 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.79 3hmj h ILE 695 Cb 0.14 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3hmj h ILE 695 CO -0.20 0.00 -0.81 -0.33 0.00 0.00 0.00 178.15 176.81 3hmj h GLU 696 N -0.81 0.00 0.07 2.37 5.08 -1.31 -3.38 114.58 116.60 3hmj h GLU 696 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hmj h GLU 696 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3hmj h GLU 696 CO -0.18 0.78 -0.03 1.15 -1.00 0.00 0.00 179.01 179.72 3hmj h THR 697 N 0.00 0.69 -3.84 1.13 2.02 -0.94 -3.45 112.91 108.53 3hmj h THR 697 Ca -0.01 -1.37 -0.49 0.00 0.77 0.00 0.00 66.41 65.30 3hmj h THR 697 Cb 1.61 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3hmj h THR 697 CO 0.10 0.22 0.41 -0.76 0.37 0.00 0.00 175.52 175.86 3hmj s LEU 698 N -8.60 4.46 -1.48 2.58 1.43 -0.73 -4.95 118.68 111.38 3hmj s LEU 698 Ca -0.09 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 3hmj s LEU 698 Cb -0.01 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3hmj s LEU 698 CO 0.32 -0.12 2.49 0.61 0.23 0.00 0.00 176.35 179.88 3hmj n GLY 699 N 1.00 4.52 3.67 -3.19 0.00 -1.26 -4.78 105.19 105.15 3hmj n GLY 699 Ca 0.00 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 3hmj n GLY 699 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hmj s LEU 700 N 0.46 3.44 0.11 0.99 1.43 -1.26 -4.93 118.68 118.93 3hmj s LEU 700 Ca 0.56 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3hmj s LEU 700 Cb 0.16 -2.04 -0.18 0.00 0.03 0.00 0.00 46.19 44.15 3hmj s LEU 700 CO -0.07 0.25 1.24 0.50 0.23 0.00 0.00 176.35 178.50 3hmj h LYS 701 N 4.08 0.20 -2.76 1.70 1.63 -1.92 -3.47 116.57 116.04 3hmj h LYS 701 Ca -0.48 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 58.99 3hmj h LYS 701 Cb 1.17 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.76 3hmj h LYS 701 CO 0.58 1.10 0.19 1.52 -3.45 0.00 0.00 179.45 179.38 3hmj s TYR 702 N -2.85 -0.55 -0.08 1.91 -0.85 -1.26 -4.45 117.35 109.22 3hmj s TYR 702 Ca -0.03 0.52 0.02 0.00 -0.52 0.00 0.00 57.07 57.06 3hmj s TYR 702 Cb 0.09 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 3hmj s TYR 702 CO 0.85 -0.77 -0.14 -1.17 -1.52 0.00 0.00 175.55 172.80 3hmj s LEU 703 N -2.33 2.72 -0.23 -3.49 0.20 -0.88 -3.02 118.68 111.65 3hmj s LEU 703 Ca -0.02 -0.25 -0.06 0.00 0.69 0.00 0.00 54.13 54.49 3hmj s LEU 703 Cb -0.01 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.16 3hmj s LEU 703 CO -0.07 0.28 0.02 -0.83 -0.29 0.00 0.00 176.35 175.46 3hmj s GLY 704 N -0.31 1.70 0.03 7.98 0.00 0.22 -0.96 107.32 115.98 3hmj s GLY 704 Ca 0.03 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.67 3hmj s GLY 704 CO 0.03 0.45 -0.09 1.08 0.00 0.00 0.00 173.10 174.57 3hmj s LEU 705 N 1.47 3.08 -0.54 0.66 1.43 -0.63 -0.14 118.68 124.00 3hmj s LEU 705 Ca 0.05 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3hmj s LEU 705 Cb -0.15 -1.79 0.35 0.00 0.03 0.00 0.00 46.19 44.63 3hmj s LEU 705 CO 0.01 0.26 0.94 0.29 0.23 0.00 0.00 176.35 178.08 3hmj n LYS 706 N 1.37 2.99 -1.22 1.70 5.02 -1.20 -1.09 118.16 125.72 3hmj n LYS 706 Ca -0.15 -4.65 -0.37 0.00 -2.02 0.00 0.00 58.31 51.13 3hmj n LYS 706 Cb 0.52 -2.17 0.06 0.00 -0.02 0.00 0.00 35.03 33.42 3hmj n LYS 706 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hmj n PRO 707 N -0.21 0.21 0.00 1.97 -0.02 -1.26 -4.78 135.00 130.90 3hmj n PRO 707 Ca 0.31 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hmj n PRO 707 Cb 0.46 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3hmj n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmj n GLY 708 N 1.96 0.99 3.37 -1.23 0.00 -1.26 -3.91 105.19 105.11 3hmj n GLY 708 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3hmj n GLY 708 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hmj s SER 709 N -0.01 2.93 0.31 1.61 0.15 -1.26 -4.79 113.70 112.65 3hmj s SER 709 Ca 0.00 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.74 3hmj s SER 709 Cb 0.00 -0.19 0.51 0.00 -1.71 0.00 0.00 66.02 64.63 3hmj s SER 709 CO 0.00 -0.02 1.89 0.40 1.20 0.00 0.00 173.24 176.71 3hmj h ILE 710 N 2.94 1.20 -0.36 6.45 2.04 -1.99 0.15 117.51 127.95 3hmj h ILE 710 Ca -0.42 -0.64 -0.15 0.00 1.00 0.00 0.00 64.86 64.66 3hmj h ILE 710 Cb 1.22 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3hmj h ILE 710 CO 0.54 0.25 -0.34 0.44 0.00 0.00 0.00 178.15 179.04 3hmj h ASP 711 N 0.76 0.92 -0.50 1.72 5.19 -1.99 -2.53 116.42 119.99 3hmj h ASP 711 Ca 0.18 -0.46 0.03 0.00 -0.62 0.00 0.00 57.03 56.16 3hmj h ASP 711 Cb 0.17 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 3hmj h ASP 711 CO -0.01 1.20 0.28 0.00 -3.12 0.00 0.00 179.24 177.58 3hmj h ALA 712 N 0.76 0.64 -0.03 3.45 0.00 -1.76 -0.37 119.26 121.95 3hmj h ALA 712 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hmj h ALA 712 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3hmj h ALA 712 CO 0.09 -0.04 -0.13 0.82 0.00 0.00 0.00 179.25 179.99 3hmj h ILE 713 N 0.55 0.67 -0.52 0.00 2.04 -0.98 -1.39 117.51 117.88 3hmj h ILE 713 Ca 0.21 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.22 3hmj h ILE 713 Cb 0.07 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3hmj h ILE 713 CO -0.12 0.00 0.38 -1.28 0.00 0.00 0.00 178.15 177.13 3hmj h SER 714 N -0.21 0.00 -0.03 1.72 0.87 -0.97 -0.55 113.55 114.38 3hmj h SER 714 Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3hmj h SER 714 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3hmj h SER 714 CO -0.15 0.00 0.00 -0.61 -0.53 0.00 0.00 176.83 175.54 3hmj h GLN 715 N 0.00 0.06 -0.68 2.24 5.75 -0.00 -2.82 115.11 119.66 3hmj h GLN 715 Ca 0.25 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 3hmj h GLN 715 Cb 1.00 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.49 3hmj h GLN 715 CO -0.00 0.33 0.38 0.28 -2.65 0.00 0.00 178.83 177.17 3hmj h VAL 716 N -0.23 0.97 -0.88 2.39 2.07 -0.52 0.73 116.25 120.79 3hmj h VAL 716 Ca 0.01 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.46 3hmj h VAL 716 Cb 0.31 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 3hmj h VAL 716 CO 0.00 0.13 0.57 0.40 0.02 0.00 0.00 177.57 178.69 3hmj h ILE 717 N 0.70 0.75 -0.03 4.57 2.04 -1.23 0.10 117.51 124.41 3hmj h ILE 717 Ca 0.30 -0.18 -0.22 0.00 1.00 0.00 0.00 64.86 65.77 3hmj h ILE 717 Cb 0.18 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3hmj h ILE 717 CO -0.18 0.09 -0.89 0.78 0.00 0.00 0.00 178.15 177.96 3hmj h ASN 718 N 0.51 0.60 0.45 1.72 -0.26 -0.63 -2.15 115.58 115.81 3hmj h ASN 718 Ca 0.45 -0.45 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 3hmj h ASN 718 Cb 0.96 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3hmj h ASN 718 CO -0.19 1.24 -0.03 0.40 -1.06 0.00 0.00 177.43 177.79 3hmj h ILE 719 N 0.29 0.14 0.02 2.81 1.08 -0.13 -2.21 117.51 119.50 3hmj h ILE 719 Ca -0.07 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3hmj h ILE 719 Cb 1.51 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.53 3hmj h ILE 719 CO 0.16 0.03 -0.01 0.00 -0.69 0.00 0.00 178.15 177.64 3hmj h ALA 720 N 1.97 -0.02 -0.79 1.87 0.00 -0.41 -3.15 119.26 118.72 3hmj h ALA 720 Ca -0.00 -0.33 0.20 0.00 0.00 0.00 0.00 54.91 54.78 3hmj h ALA 720 Cb 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3hmj h ALA 720 CO 0.00 -0.04 0.54 0.87 0.00 0.00 0.00 179.25 180.63 3hmj h LYS 721 N -0.97 0.22 -0.66 0.00 1.57 -1.34 -2.54 116.57 112.85 3hmj h LYS 721 Ca -0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 3hmj h LYS 721 Cb 0.66 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 3hmj h LYS 721 CO 0.00 0.14 -0.32 0.00 -0.57 0.00 0.00 179.45 178.71 3hmj h ALA 722 N 1.63 0.06 -2.48 3.86 0.00 -1.35 -3.30 119.26 117.68 3hmj h ALA 722 Ca 0.39 0.20 -0.59 0.00 0.00 0.00 0.00 54.91 54.91 3hmj h ALA 722 Cb 1.20 0.77 -0.39 0.00 0.00 0.00 0.00 17.79 19.38 3hmj h ALA 722 CO -0.09 -0.63 -0.91 -1.01 0.00 0.00 0.00 179.25 176.61 3hmj s HIS 723 N -6.03 1.41 0.65 0.00 3.76 -0.97 -4.99 115.29 109.12 3hmj s HIS 723 Ca -0.14 -2.43 0.33 0.00 -0.15 0.00 0.00 55.06 52.67 3hmj s HIS 723 Cb 0.17 -1.17 1.82 0.00 1.11 0.00 0.00 32.58 34.52 3hmj s HIS 723 CO 0.70 -0.79 2.05 -1.35 -0.85 0.00 0.00 174.74 174.50 3hmj h PRO 724 N 5.68 0.00 -0.62 8.40 0.11 -1.62 0.39 132.00 144.34 3hmj h PRO 724 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3hmj h PRO 724 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3hmj h PRO 724 CO 0.41 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.29 3hmj n ASN 725 N -3.10 3.82 -4.30 -2.05 3.02 -1.26 -4.40 115.26 106.99 3hmj n ASN 725 Ca -0.01 -2.32 -0.32 0.00 -0.03 0.00 0.00 54.58 51.90 3hmj n ASN 725 Cb 0.32 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.83 3hmj n ASN 725 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hmj s PHE 726 N -1.72 2.69 -0.01 3.10 5.36 0.12 -5.00 117.98 122.52 3hmj s PHE 726 Ca 0.41 -0.82 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 3hmj s PHE 726 Cb 0.26 -1.78 -0.06 0.00 -0.34 0.00 0.00 43.02 41.10 3hmj s PHE 726 CO 0.21 -0.30 1.63 -2.14 -1.46 0.00 0.00 175.22 173.16 3hmj s PRO 727 N 0.32 4.20 -0.18 10.12 0.02 -1.26 -4.74 135.00 143.47 3hmj s PRO 727 Ca -0.14 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.10 3hmj s PRO 727 Cb -0.17 -3.84 0.03 0.00 0.02 0.00 0.00 34.50 30.54 3hmj s PRO 727 CO 0.07 -0.79 -0.15 0.42 -0.33 0.00 0.00 177.00 176.22 3hmj s ILE 728 N 3.50 1.82 -0.78 2.83 1.01 0.10 -2.06 121.20 127.61 3hmj s ILE 728 Ca 0.73 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 3hmj s ILE 728 Cb -0.35 -1.75 0.08 0.00 0.01 0.00 0.00 42.46 40.45 3hmj s ILE 728 CO 0.30 0.37 1.11 0.00 0.00 0.00 0.00 174.94 176.72 3hmj s ALA 729 N 1.36 3.07 -0.93 9.38 0.00 -0.14 -0.90 121.76 133.60 3hmj s ALA 729 Ca 0.02 -2.05 -0.24 0.00 0.00 0.00 0.00 51.96 49.69 3hmj s ALA 729 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.93 3hmj s ALA 729 CO -0.10 -3.01 1.68 -1.17 0.00 0.00 0.00 175.76 173.16 3hmj s LEU 730 N 4.10 3.32 -1.04 0.00 2.96 -1.01 -1.61 118.68 125.40 3hmj s LEU 730 Ca 0.29 -0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 53.02 3hmj s LEU 730 Cb -0.11 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.07 3hmj s LEU 730 CO 0.04 -2.11 1.48 -1.10 -1.32 0.00 0.00 176.35 173.34 3hmj s GLN 731 N 6.01 3.60 -0.51 1.98 -0.21 -0.25 -1.72 119.66 128.56 3hmj s GLN 731 Ca 0.57 -1.18 -0.28 0.00 0.02 0.00 0.00 55.36 54.50 3hmj s GLN 731 Cb -0.04 -5.37 -0.01 0.00 1.00 0.00 0.00 33.01 28.59 3hmj s GLN 731 CO -0.03 -2.24 1.68 -0.46 -2.12 0.00 0.00 175.29 172.12 3hmj s TRP 732 N 5.03 1.94 0.62 0.91 -0.11 -0.56 -4.13 118.94 122.64 3hmj s TRP 732 Ca 0.47 0.64 -0.01 0.00 1.22 0.00 0.00 56.10 58.42 3hmj s TRP 732 Cb 0.00 -4.21 0.06 0.00 -1.50 0.00 0.00 33.47 27.82 3hmj s TRP 732 CO -0.08 -2.35 0.87 -0.08 -4.62 0.00 0.00 176.95 170.68 3hmj s THR 733 N 7.31 2.47 0.00 5.86 -1.32 -1.25 -1.85 115.64 126.87 3hmj s THR 733 Ca 0.65 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3hmj s THR 733 Cb -0.15 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 3hmj s THR 733 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 3hmj n GLY 734 N -2.57 5.73 0.00 6.08 0.00 -1.25 -4.86 105.19 108.32 3hmj n GLY 734 Ca 0.09 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.11 3hmj n GLY 734 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLY 735 N 5.00 -1.20 1.64 -0.02 0.00 -0.78 -4.09 105.19 105.74 3hmj n GLY 735 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3hmj n GLY 735 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hmj n ARG 736 N -1.54 4.02 -1.86 1.61 -4.01 -1.26 -4.44 116.66 109.18 3hmj n ARG 736 Ca 0.05 -2.79 -0.28 0.00 -1.04 0.00 0.00 57.85 53.79 3hmj n ARG 736 Cb 0.34 -2.01 0.19 0.00 -3.04 0.00 0.00 32.46 27.94 3hmj n ARG 736 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3hmj n GLY 737 N 0.89 -1.37 3.94 2.89 0.00 -1.26 -3.82 105.19 106.45 3hmj n GLY 737 Ca 0.25 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 3hmj n GLY 737 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hmj s GLY 738 N -5.75 1.43 0.00 -0.02 0.00 -1.26 -4.29 107.32 97.44 3hmj s GLY 738 Ca 0.72 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3hmj s GLY 738 CO 0.50 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.45 3hmj n GLY 739 N -1.96 3.06 3.22 0.20 0.00 -1.17 -4.73 105.19 103.81 3hmj n GLY 739 Ca -0.02 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3hmj n GLY 739 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hmj n HIS 740 N 13.71 -3.14 -2.19 1.61 -0.00 -1.26 0.52 115.22 124.47 3hmj n HIS 740 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 3hmj n HIS 740 Cb 0.00 -1.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 3hmj n HIS 740 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 3hmj n HIS 741 N -2.25 0.00 0.00 1.57 -0.00 -0.77 -4.63 115.22 109.14 3hmj n HIS 741 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 3hmj n HIS 741 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3hmj n HIS 741 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hmj n SER 742 N 0.00 0.00 -0.70 0.26 2.88 -1.26 -4.94 113.62 109.86 3hmj n SER 742 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3hmj n SER 742 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 3hmj n SER 742 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3hmj n PHE 743 N -0.48 0.50 -3.44 0.66 3.01 -1.26 -4.52 117.46 111.92 3hmj n PHE 743 Ca 0.00 -0.25 -0.34 0.00 1.01 0.00 0.00 57.45 57.87 3hmj n PHE 743 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3hmj n PHE 743 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hmj s GLU 744 N -1.50 3.86 0.56 -1.08 0.41 -1.26 -2.75 118.70 116.94 3hmj s GLU 744 Ca 0.26 0.33 -0.17 0.00 -0.41 0.00 0.00 54.97 54.98 3hmj s GLU 744 Cb 0.13 -2.87 -0.05 0.00 -1.78 0.00 0.00 34.13 29.56 3hmj s GLU 744 CO 0.17 0.46 1.04 0.34 -0.49 0.00 0.00 175.26 176.78 3hmj s ASP 745 N -1.93 6.03 0.29 -0.19 2.15 -1.26 -1.87 116.67 119.89 3hmj s ASP 745 Ca 0.39 1.80 0.24 0.00 0.43 0.00 0.00 52.55 55.42 3hmj s ASP 745 Cb -0.14 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.44 3hmj s ASP 745 CO 0.20 -1.00 1.59 0.00 -0.17 0.00 0.00 175.17 175.79 3hmj h ALA 746 N 0.75 0.91 0.00 3.66 0.00 -1.94 -3.40 119.26 119.24 3hmj h ALA 746 Ca -0.47 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 3hmj h ALA 746 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3hmj h ALA 746 CO 0.58 0.00 -1.87 0.72 0.00 0.00 0.00 179.25 178.69 3hmj n HIS 747 N -2.62 0.00 -0.07 0.00 8.25 -1.26 -4.63 115.22 114.88 3hmj n HIS 747 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 3hmj n HIS 747 Cb 0.48 -0.58 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 3hmj n HIS 747 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3hmj h THR 748 N -0.18 0.19 -0.77 1.59 2.02 -1.98 0.65 112.91 114.42 3hmj h THR 748 Ca -0.36 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3hmj h THR 748 Cb 1.47 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 3hmj h THR 748 CO -0.11 0.00 0.44 -0.65 0.37 0.00 0.00 175.52 175.57 3hmj h PRO 749 N -0.35 0.77 0.02 6.66 0.11 -1.86 -1.69 132.00 135.65 3hmj h PRO 749 Ca 0.13 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 3hmj h PRO 749 Cb 0.57 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.52 3hmj h PRO 749 CO -0.49 0.51 -0.63 1.98 -0.21 0.00 0.00 178.00 179.16 3hmj h MET 750 N 0.79 0.40 -0.19 1.05 4.05 -1.75 -0.01 114.93 119.26 3hmj h MET 750 Ca 0.35 -0.45 0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3hmj h MET 750 Cb 0.25 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3hmj h MET 750 CO -0.20 1.12 0.26 1.25 0.23 0.00 0.00 176.91 179.56 3hmj h LEU 751 N -0.14 0.00 0.00 3.39 6.46 -0.71 0.25 115.31 124.57 3hmj h LEU 751 Ca -0.08 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.35 3hmj h LEU 751 Cb 1.36 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.22 3hmj h LEU 751 CO 0.12 0.00 -2.22 1.67 -0.62 0.00 0.00 178.44 177.39 3hmj n GLN 752 N -3.62 1.08 -0.00 1.25 7.27 -0.65 -4.43 117.38 118.29 3hmj n GLN 752 Ca 0.02 -0.01 0.11 0.00 0.07 0.00 0.00 57.00 57.19 3hmj n GLN 752 Cb 0.38 -1.46 -0.14 0.00 2.41 0.00 0.00 30.24 31.43 3hmj n GLN 752 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3hmj n MET 753 N -2.65 0.49 -0.24 3.69 2.81 -0.05 -4.67 117.12 116.50 3hmj n MET 753 Ca -0.29 -0.13 0.02 0.00 -1.81 0.00 0.00 57.70 55.49 3hmj n MET 753 Cb 1.07 -1.53 0.10 0.00 -0.71 0.00 0.00 33.22 32.15 3hmj n MET 753 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3hmj h TYR 754 N 0.00 -0.23 -0.74 2.03 3.20 -1.16 -1.45 116.97 118.62 3hmj h TYR 754 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hmj h TYR 754 Cb 0.87 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3hmj h TYR 754 CO 0.00 -0.26 0.49 1.03 -1.64 0.00 0.00 178.16 177.78 3hmj h SER 755 N 0.04 0.84 -0.26 -2.11 0.87 -1.85 -1.19 113.55 109.89 3hmj h SER 755 Ca 0.35 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 3hmj h SER 755 Cb 0.57 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3hmj h SER 755 CO -0.67 0.61 -0.29 0.11 -0.53 0.00 0.00 176.83 176.06 3hmj h LYS 756 N 1.00 0.66 -0.96 2.24 1.57 -1.63 -2.83 116.57 116.62 3hmj h LYS 756 Ca 0.28 -0.36 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 3hmj h LYS 756 Cb -0.10 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.14 3hmj h LYS 756 CO -0.07 0.97 0.61 0.82 -0.57 0.00 0.00 179.45 181.21 3hmj h ILE 757 N 0.38 0.81 -0.00 1.86 2.04 -0.95 -2.18 117.51 119.47 3hmj h ILE 757 Ca 0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3hmj h ILE 757 Cb 0.86 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3hmj h ILE 757 CO 0.07 0.14 -0.05 0.54 0.00 0.00 0.00 178.15 178.85 3hmj n ARG 758 N -4.63 0.67 -0.31 2.37 5.12 -0.48 -2.86 116.66 116.53 3hmj n ARG 758 Ca 0.20 -0.13 0.07 0.00 -1.93 0.00 0.00 57.85 56.05 3hmj n ARG 758 Cb 0.49 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.51 3hmj n ARG 758 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hmj n ARG 759 N -1.05 2.40 -3.91 5.56 1.74 -0.82 -4.68 116.66 115.90 3hmj n ARG 759 Ca 0.16 -1.73 -0.30 0.00 -0.77 0.00 0.00 57.85 55.21 3hmj n ARG 759 Cb 0.24 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.02 3hmj n ARG 759 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hmj s HIS 760 N -1.56 2.64 0.61 -1.55 3.76 -1.14 -5.00 115.29 113.05 3hmj s HIS 760 Ca 0.31 -2.13 0.42 0.00 -0.15 0.00 0.00 55.06 53.52 3hmj s HIS 760 Cb 0.18 -2.02 2.29 0.00 1.11 0.00 0.00 32.58 34.14 3hmj s HIS 760 CO 0.18 -0.85 2.33 -1.35 -0.85 0.00 0.00 174.74 174.20 3hmj h PRO 761 N 7.88 0.00 -0.00 8.40 0.11 -1.86 -1.99 132.00 144.55 3hmj h PRO 761 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3hmj h PRO 761 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hmj h PRO 761 CO 0.46 0.00 -0.13 0.27 -0.21 0.00 0.00 178.00 178.39 3hmj n ASN 762 N -3.16 0.19 -4.59 -2.05 2.04 -1.26 -4.22 115.26 102.21 3hmj n ASN 762 Ca -0.03 0.08 -0.42 0.00 -0.44 0.00 0.00 54.58 53.78 3hmj n ASN 762 Cb 0.09 -0.23 -0.06 0.00 -2.53 0.00 0.00 39.78 37.05 3hmj n ASN 762 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3hmj s ILE 763 N -2.86 4.85 -0.59 1.53 1.01 -0.75 -0.72 121.20 123.66 3hmj s ILE 763 Ca 0.17 0.86 -0.17 0.00 0.00 0.00 0.00 60.65 61.51 3hmj s ILE 763 Cb 0.19 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.68 3hmj s ILE 763 CO 0.55 -0.28 0.63 -0.04 0.00 0.00 0.00 174.94 175.80 3hmj s MET 764 N 2.82 3.06 -0.07 2.79 -1.94 -0.08 -4.95 119.30 120.92 3hmj s MET 764 Ca 0.28 -1.54 -0.30 0.00 -1.71 0.00 0.00 55.69 52.42 3hmj s MET 764 Cb -0.14 -4.30 -0.03 0.00 2.01 0.00 0.00 34.83 32.36 3hmj s MET 764 CO 0.14 -1.45 1.28 -1.17 -0.01 0.00 0.00 175.02 173.81 3hmj s LEU 765 N 2.13 4.26 -0.18 -0.03 2.96 -1.26 -2.41 118.68 124.14 3hmj s LEU 765 Ca 0.09 1.87 -0.00 0.00 -0.22 0.00 0.00 54.13 55.87 3hmj s LEU 765 Cb -0.26 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 42.93 3hmj s LEU 765 CO 0.04 -0.68 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.70 3hmj s ILE 766 N 2.68 1.29 0.06 6.68 1.01 -0.70 -1.74 121.20 130.48 3hmj s ILE 766 Ca 0.58 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 3hmj s ILE 766 Cb -0.26 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3hmj s ILE 766 CO 0.21 0.11 0.92 0.12 0.00 0.00 0.00 174.94 176.30 3hmj s PHE 767 N 1.54 3.75 0.17 3.97 5.99 -0.93 -1.50 117.98 130.96 3hmj s PHE 767 Ca -0.01 1.69 -0.00 0.00 0.00 0.00 0.00 56.93 58.61 3hmj s PHE 767 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 43.02 39.79 3hmj s PHE 767 CO -0.08 0.15 0.07 0.20 -0.00 0.00 0.00 175.22 175.57 3hmj s GLY 768 N 0.32 1.20 0.00 13.12 0.00 -0.77 -2.65 107.32 118.54 3hmj s GLY 768 Ca 0.47 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3hmj s GLY 768 CO 0.28 -1.41 0.00 -1.14 0.00 0.00 0.00 173.10 170.82 3hmj n SER 769 N -0.19 -1.21 0.00 1.64 3.41 -1.26 -3.84 113.62 112.17 3hmj n SER 769 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3hmj n SER 769 Cb 0.64 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3hmj n SER 769 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmj n GLY 770 N 1.19 0.60 3.92 5.00 0.00 -1.26 -4.84 105.19 109.79 3hmj n GLY 770 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3hmj n GLY 770 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hmj s PHE 771 N -2.22 3.51 0.00 1.61 2.99 -1.26 -3.85 117.98 118.76 3hmj s PHE 771 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 56.93 57.21 3hmj s PHE 771 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 43.02 41.24 3hmj s PHE 771 CO 0.00 0.57 0.00 0.41 -0.00 0.00 0.00 175.22 176.20 3hmj n GLY 772 N 0.21 0.00 3.35 4.36 0.00 -1.26 -4.43 105.19 107.42 3hmj n GLY 772 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3hmj n GLY 772 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hmj s SER 773 N -0.50 1.51 0.57 1.61 1.04 -1.26 -4.97 113.70 111.69 3hmj s SER 773 Ca 0.00 -1.37 0.35 0.00 0.48 0.00 0.00 55.95 55.41 3hmj s SER 773 Cb 0.00 0.09 1.58 0.00 0.10 0.00 0.00 66.02 67.79 3hmj s SER 773 CO 0.00 -0.69 2.07 0.00 0.98 0.00 0.00 173.24 175.60 3hmj h ALA 774 N 2.32 1.03 0.03 5.32 0.00 -1.82 -3.24 119.26 122.90 3hmj h ALA 774 Ca -0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3hmj h ALA 774 Cb 1.24 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hmj h ALA 774 CO 0.63 0.04 -0.23 0.22 0.00 0.00 0.00 179.25 179.91 3hmj h ASP 775 N 0.00 0.15 1.62 0.00 1.82 -1.94 -2.03 116.42 116.04 3hmj h ASP 775 Ca -0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 3hmj h ASP 775 Cb 0.40 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.36 3hmj h ASP 775 CO 0.00 1.05 0.00 -2.24 -1.61 0.00 0.00 179.24 176.45 3hmj h ASP 776 N -0.73 0.00 0.94 2.28 2.03 -1.99 -3.10 116.42 115.85 3hmj h ASP 776 Ca -0.04 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.12 3hmj h ASP 776 Cb 1.12 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3hmj h ASP 776 CO 0.04 0.00 -1.13 0.00 -1.03 0.00 0.00 179.24 177.12 3hmj h THR 777 N 0.00 0.58 -0.59 1.15 1.03 -1.58 -3.39 112.91 110.11 3hmj h THR 777 Ca 0.00 -2.01 0.08 0.00 -0.01 0.00 0.00 66.41 64.46 3hmj h THR 777 Cb 0.81 2.12 -0.06 0.00 -1.07 0.00 0.00 68.15 69.94 3hmj h THR 777 CO 0.00 0.33 0.26 0.22 -0.01 0.00 0.00 175.52 176.32 3hmj h TYR 778 N 0.00 0.47 0.00 0.00 3.20 -1.28 -2.26 116.97 117.09 3hmj h TYR 778 Ca -0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3hmj h TYR 778 Cb 1.50 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 3hmj h TYR 778 CO 0.00 0.17 -0.05 -1.35 -1.64 0.00 0.00 178.16 175.29 3hmj h PRO 779 N 0.48 0.00 0.00 1.82 0.11 -1.78 0.25 132.00 132.88 3hmj h PRO 779 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3hmj h PRO 779 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3hmj h PRO 779 CO -0.25 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 178.25 3hmj n TYR 780 N -3.99 0.51 -0.07 0.65 4.02 -0.85 -0.58 117.16 116.84 3hmj n TYR 780 Ca -0.03 0.16 -0.22 0.00 -0.01 0.00 0.00 57.90 57.80 3hmj n TYR 780 Cb 0.14 -0.76 -0.12 0.00 -0.02 0.00 0.00 39.34 38.58 3hmj n TYR 780 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 3hmj n LEU 781 N -1.92 2.25 -0.07 7.72 7.94 0.77 -1.15 117.00 132.54 3hmj n LEU 781 Ca 0.05 0.29 0.14 0.00 -1.11 0.00 0.00 56.01 55.38 3hmj n LEU 781 Cb 0.35 -1.00 0.53 0.00 0.53 0.00 0.00 43.42 43.83 3hmj n LEU 781 CO 0.26 0.58 1.19 0.74 -1.11 0.00 0.00 177.39 179.05 3hmj h THR 782 N -0.52 0.86 0.00 1.96 2.02 -1.23 -3.36 112.91 112.63 3hmj h THR 782 Ca -0.44 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3hmj h THR 782 Cb 1.66 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3hmj h THR 782 CO -0.11 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.45 3hmj n GLY 783 N -1.54 0.72 0.18 2.16 0.00 -0.54 -4.59 105.19 101.59 3hmj n GLY 783 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3hmj n GLY 783 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hmj h GLU 784 N 2.08 0.00 -0.74 1.61 4.81 -1.14 0.11 114.58 121.31 3hmj h GLU 784 Ca 0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 3hmj h GLU 784 Cb 0.00 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 3hmj h GLU 784 CO 0.00 0.16 0.23 0.11 -0.73 0.00 0.00 179.01 178.78 3hmj h TRP 785 N 0.00 0.38 0.00 0.92 5.08 -1.78 -1.52 115.95 119.03 3hmj h TRP 785 Ca -0.01 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3hmj h TRP 785 Cb 1.14 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3hmj h TRP 785 CO 0.00 -0.02 0.00 -1.13 -1.28 0.00 0.00 178.44 176.01 3hmj n SER 786 N -5.09 0.00 0.06 0.11 3.41 -1.25 -2.64 113.62 108.23 3hmj n SER 786 Ca 0.14 0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.66 3hmj n SER 786 Cb 0.44 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3hmj n SER 786 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hmj h THR 787 N 0.00 1.38 -0.81 6.66 2.02 -1.38 -2.62 112.91 118.16 3hmj h THR 787 Ca 0.00 -2.41 0.23 0.00 0.77 0.00 0.00 66.41 65.01 3hmj h THR 787 Cb 0.11 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 3hmj h THR 787 CO 0.00 0.72 0.71 0.11 0.37 0.00 0.00 175.52 177.43 3hmj h LYS 788 N 0.26 0.00 -0.50 6.66 1.57 -1.68 0.19 116.57 123.07 3hmj h LYS 788 Ca -0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3hmj h LYS 788 Cb 1.58 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.81 3hmj h LYS 788 CO 0.17 0.00 0.11 1.19 -0.57 0.00 0.00 179.45 180.34 3hmj n PHE 789 N -3.86 1.68 -2.90 -1.35 3.01 -1.15 -4.94 117.46 107.94 3hmj n PHE 789 Ca 0.17 -1.15 -0.22 0.00 1.01 0.00 0.00 57.45 57.26 3hmj n PHE 789 Cb 0.99 -0.52 0.03 0.00 -0.01 0.00 0.00 39.48 39.97 3hmj n PHE 789 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hmj n ASP 790 N -0.43 -6.00 -4.54 4.37 8.00 0.05 -4.99 116.55 113.01 3hmj n ASP 790 Ca 0.32 -0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 3hmj n ASP 790 Cb 1.15 -4.85 -0.11 0.00 -0.02 0.00 0.00 41.12 37.30 3hmj n ASP 790 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hmj s TYR 791 N -3.14 2.70 0.71 1.24 1.51 -1.00 -5.05 117.35 114.32 3hmj s TYR 791 Ca 0.25 -0.17 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 3hmj s TYR 791 Cb -0.11 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3hmj s TYR 791 CO 0.31 0.38 0.56 -2.30 -1.11 0.00 0.00 175.55 173.39 3hmj n PRO 792 N 0.99 0.33 -1.62 -1.71 -0.02 -1.26 -3.88 135.00 127.83 3hmj n PRO 792 Ca -0.15 0.15 -0.47 0.00 -2.02 0.00 0.00 63.50 61.01 3hmj n PRO 792 Cb 0.52 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3hmj n PRO 792 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hmj n PRO 793 N -0.75 1.60 -3.44 0.52 -0.02 -1.26 -4.68 135.00 126.97 3hmj n PRO 793 Ca 0.10 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 3hmj n PRO 793 Cb 0.50 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 3hmj n PRO 793 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hmj n MET 794 N 2.15 1.02 -2.43 -0.52 1.56 0.38 -3.81 117.12 115.47 3hmj n MET 794 Ca 0.14 -3.68 -0.38 0.00 -0.27 0.00 0.00 57.70 53.51 3hmj n MET 794 Cb 0.27 -1.75 -0.03 0.00 2.15 0.00 0.00 33.22 33.86 3hmj n MET 794 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3hmj s PRO 795 N -1.00 4.26 0.27 2.12 0.02 -1.26 -4.52 135.00 134.89 3hmj s PRO 795 Ca 0.33 1.72 0.08 0.00 0.02 0.00 0.00 61.00 63.16 3hmj s PRO 795 Cb 0.08 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3hmj s PRO 795 CO -0.14 -0.11 0.13 -0.06 -0.33 0.00 0.00 177.00 176.50 3hmj s PHE 796 N -1.42 2.93 -2.69 6.54 0.40 -0.30 -4.92 117.98 118.52 3hmj s PHE 796 Ca 0.54 -0.18 0.23 0.00 -0.60 0.00 0.00 56.93 56.92 3hmj s PHE 796 Cb -0.28 -1.37 0.15 0.00 0.51 0.00 0.00 43.02 42.03 3hmj s PHE 796 CO 0.36 0.53 1.19 -0.25 0.70 0.00 0.00 175.22 177.74 3hmj n ASP 797 N -1.09 2.73 0.00 1.36 8.00 -0.71 -4.70 116.55 122.14 3hmj n ASP 797 Ca -0.07 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3hmj n ASP 797 Cb 0.59 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3hmj n ASP 797 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hmj n GLY 798 N 1.30 1.11 3.07 0.44 0.00 -1.23 -4.11 105.19 105.78 3hmj n GLY 798 Ca 0.12 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3hmj n GLY 798 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hmj s PHE 799 N -2.00 -0.18 -0.01 1.61 0.40 -0.71 -2.20 117.98 114.89 3hmj s PHE 799 Ca 0.00 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.80 3hmj s PHE 799 Cb 0.00 0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.56 3hmj s PHE 799 CO 0.00 -0.11 -0.09 -0.48 0.70 0.00 0.00 175.22 175.23 3hmj s LEU 800 N -0.04 3.04 -0.28 -0.37 2.34 -1.09 -2.13 118.68 120.17 3hmj s LEU 800 Ca -0.01 -0.17 0.02 0.00 0.06 0.00 0.00 54.13 54.02 3hmj s LEU 800 Cb -0.02 -1.73 0.08 0.00 -0.56 0.00 0.00 46.19 43.96 3hmj s LEU 800 CO 0.00 0.30 -0.01 -0.36 -1.06 0.00 0.00 176.35 175.22 3hmj s PHE 801 N -0.93 2.73 -0.11 3.48 0.40 -0.85 -3.98 117.98 118.71 3hmj s PHE 801 Ca 0.15 -2.14 -0.09 0.00 -0.60 0.00 0.00 56.93 54.26 3hmj s PHE 801 Cb -0.11 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3hmj s PHE 801 CO 0.06 -0.85 -0.17 0.41 0.70 0.00 0.00 175.22 175.36 3hmj n GLY 802 N 4.57 -0.71 0.13 4.36 0.00 -1.26 -4.27 105.19 108.00 3hmj n GLY 802 Ca -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3hmj n GLY 802 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hmj h SER 803 N -0.71 0.34 -1.11 1.61 0.02 -1.94 -3.23 113.55 108.52 3hmj h SER 803 Ca 0.00 -0.36 0.32 0.00 -0.84 0.00 0.00 61.79 60.91 3hmj h SER 803 Cb 0.50 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3hmj h SER 803 CO 0.00 0.62 0.92 -0.09 -1.14 0.00 0.00 176.83 177.14 3hmj h ARG 804 N 0.05 0.00 0.00 3.45 9.65 -1.82 -0.26 114.38 125.46 3hmj h ARG 804 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3hmj h ARG 804 Cb 0.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3hmj h ARG 804 CO 0.02 0.00 -0.55 0.28 2.80 0.00 0.00 179.97 182.51 3hmj n VAL 805 N -3.88 0.03 0.50 0.20 0.31 -1.22 -4.37 118.33 109.89 3hmj n VAL 805 Ca 0.24 -0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.59 3hmj n VAL 805 Cb 1.28 0.26 0.25 0.00 -0.91 0.00 0.00 33.84 34.72 3hmj n VAL 805 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3hmj n MET 806 N -1.55 0.19 -0.01 5.55 2.81 -0.11 -1.27 117.12 122.73 3hmj n MET 806 Ca 0.05 0.12 0.06 0.00 -1.81 0.00 0.00 57.70 56.12 3hmj n MET 806 Cb 0.34 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.27 3hmj n MET 806 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hmj n ILE 807 N -1.18 0.00 -1.30 2.02 5.41 -1.26 -4.74 119.36 118.31 3hmj n ILE 807 Ca 0.05 -0.25 -0.40 0.00 1.00 0.00 0.00 62.75 63.15 3hmj n ILE 807 Cb 0.06 0.25 0.01 0.00 -0.71 0.00 0.00 39.64 39.24 3hmj n ILE 807 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hmj n ALA 808 N -1.89 -2.81 -0.01 -1.39 0.00 -0.40 -2.51 120.51 111.51 3hmj n ALA 808 Ca -0.02 0.04 0.22 0.00 0.00 0.00 0.00 53.44 53.68 3hmj n ALA 808 Cb 0.29 -1.49 0.72 0.00 0.00 0.00 0.00 19.45 18.97 3hmj n ALA 808 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hmj h LYS 809 N 0.21 0.00 -0.07 0.00 3.64 -1.45 -2.82 116.57 116.07 3hmj h LYS 809 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3hmj h LYS 809 Cb 1.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3hmj h LYS 809 CO 0.45 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.78 3hmj n GLU 810 N -4.16 1.51 -2.40 1.90 0.00 -1.26 -4.92 120.64 111.30 3hmj n GLU 810 Ca 0.11 -1.60 -0.32 0.00 0.00 0.00 0.00 57.16 55.34 3hmj n GLU 810 Cb 0.67 -1.34 -0.03 0.00 0.00 0.00 0.00 31.44 30.75 3hmj n GLU 810 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3hmj s VAL 811 N -1.38 4.32 -2.02 3.84 -7.23 -1.07 -4.17 120.40 112.70 3hmj s VAL 811 Ca 0.21 1.18 0.32 0.00 -1.81 0.00 0.00 61.98 61.88 3hmj s VAL 811 Cb 0.15 -3.62 0.89 0.00 0.56 0.00 0.00 36.38 34.36 3hmj s VAL 811 CO 0.22 -0.57 2.20 0.29 -0.31 0.00 0.00 175.10 176.93 3hmj n LYS 812 N -1.48 1.03 -1.63 4.82 4.76 -1.26 -4.87 118.16 119.52 3hmj n LYS 812 Ca 0.07 -0.04 -0.57 0.00 -2.87 0.00 0.00 58.31 54.90 3hmj n LYS 812 Cb 0.54 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.16 3hmj n LYS 812 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3hmj n THR 813 N -0.95 0.09 -1.77 -0.18 -1.04 -1.26 -4.62 114.28 104.55 3hmj n THR 813 Ca 0.24 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.88 3hmj n THR 813 Cb 0.12 -0.73 0.06 0.00 -1.82 0.00 0.00 70.33 67.95 3hmj n THR 813 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3hmj s SER 814 N 1.64 4.86 0.09 8.00 0.01 -0.68 -4.66 113.70 122.95 3hmj s SER 814 Ca 0.93 2.27 -0.18 0.00 1.31 0.00 0.00 55.95 60.28 3hmj s SER 814 Cb -1.13 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 62.47 3hmj s SER 814 CO 0.59 -1.81 1.31 -0.65 0.41 0.00 0.00 173.24 173.10 3hmj h PRO 815 N 0.30 -0.08 0.00 12.44 0.11 -1.89 0.21 132.00 143.09 3hmj h PRO 815 Ca -0.49 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hmj h PRO 815 Cb 1.28 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hmj h PRO 815 CO 0.53 -0.06 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.82 3hmj h ASP 816 N -0.09 0.00 0.25 -2.05 3.32 -1.96 -1.73 116.42 114.16 3hmj h ASP 816 Ca 0.07 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.78 3hmj h ASP 816 Cb 0.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.85 3hmj h ASP 816 CO -0.47 0.01 -1.62 0.00 -1.72 0.00 0.00 179.24 175.43 3hmj h ALA 817 N 1.99 0.03 -0.56 3.45 0.00 -1.06 -2.03 119.26 121.09 3hmj h ALA 817 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 3hmj h ALA 817 Cb 0.07 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hmj h ALA 817 CO 0.00 0.90 0.31 0.87 0.00 0.00 0.00 179.25 181.33 3hmj h LYS 818 N 0.12 0.78 -0.69 0.00 1.57 0.06 -0.83 116.57 117.57 3hmj h LYS 818 Ca -0.30 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3hmj h LYS 818 Cb 2.12 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 34.23 3hmj h LYS 818 CO 0.22 0.59 0.40 -0.22 -0.57 0.00 0.00 179.45 179.87 3hmj h LYS 819 N 0.75 0.71 -0.46 3.15 1.63 -1.39 -1.83 116.57 119.13 3hmj h LYS 819 Ca 0.20 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3hmj h LYS 819 Cb 0.04 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3hmj h LYS 819 CO -0.03 0.47 0.24 0.00 -3.45 0.00 0.00 179.45 176.68 3hmj h ILE 821 N 0.61 1.16 0.23 0.00 2.04 -0.70 -3.23 117.51 117.61 3hmj h ILE 821 Ca 0.16 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3hmj h ILE 821 Cb 0.09 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3hmj h ILE 821 CO -0.02 0.17 -0.19 0.00 0.00 0.00 0.00 178.15 178.11 3hmj h ALA 822 N 1.09 -0.95 0.00 1.87 0.00 -1.34 -2.92 119.26 117.00 3hmj h ALA 822 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hmj h ALA 822 Cb 0.05 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hmj h ALA 822 CO -0.02 -0.95 0.11 0.00 0.00 0.00 0.00 179.25 178.38 3hmj n ALA 823 N -2.41 0.73 -2.32 0.00 0.00 -1.16 -4.39 120.51 110.96 3hmj n ALA 823 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3hmj n ALA 823 Cb 0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 3hmj n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj s THR 825 N 4.77 2.64 0.00 0.00 -1.32 -1.25 -4.49 115.64 116.00 3hmj s THR 825 Ca 0.61 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 3hmj s THR 825 Cb -0.18 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 3hmj s THR 825 CO 0.26 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 3hmj n GLY 826 N 2.90 -1.17 3.63 6.08 0.00 -1.26 -4.18 105.19 111.20 3hmj n GLY 826 Ca 0.10 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3hmj n GLY 826 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmj s VAL 827 N 0.00 0.00 0.87 1.61 1.01 -0.65 -4.36 120.40 118.88 3hmj s VAL 827 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3hmj s VAL 827 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3hmj s VAL 827 CO 0.00 0.00 0.76 -2.65 0.00 0.00 0.00 175.10 173.21 3hmj n PRO 828 N 2.90 -0.12 0.21 2.72 -0.02 -1.26 -3.83 135.00 135.60 3hmj n PRO 828 Ca -0.15 0.02 0.18 0.00 -2.02 0.00 0.00 63.50 61.54 3hmj n PRO 828 Cb 0.56 -2.09 0.83 0.00 -0.02 0.00 0.00 33.50 32.78 3hmj n PRO 828 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hmj h ASP 829 N -1.28 0.00 -1.19 2.55 3.58 -1.96 -1.10 116.42 117.02 3hmj h ASP 829 Ca -0.44 0.00 0.37 0.00 0.42 0.00 0.00 57.03 57.37 3hmj h ASP 829 Cb 1.29 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.23 3hmj h ASP 829 CO 0.40 0.00 0.76 -0.78 -2.88 0.00 0.00 179.24 176.73 3hmj h ASP 830 N 0.00 0.34 -0.34 2.28 3.58 -2.05 -3.25 116.42 116.98 3hmj h ASP 830 Ca 0.09 0.12 -0.23 0.00 0.42 0.00 0.00 57.03 57.44 3hmj h ASP 830 Cb 0.65 0.09 -0.38 0.00 1.72 0.00 0.00 39.33 41.41 3hmj h ASP 830 CO -0.00 -0.09 -1.06 0.29 -2.88 0.00 0.00 179.24 175.50 3hmj n LYS 831 N -4.71 1.42 0.11 0.28 5.02 -0.42 -4.84 118.16 115.02 3hmj n LYS 831 Ca 0.33 -3.13 -0.00 0.00 -2.02 0.00 0.00 58.31 53.48 3hmj n LYS 831 Cb 1.20 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.96 3hmj n LYS 831 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3hmj h TRP 832 N 2.25 0.00 -0.15 2.13 0.09 -1.59 -3.31 115.95 115.36 3hmj h TRP 832 Ca -0.17 0.00 0.04 0.00 0.09 0.00 0.00 58.89 58.85 3hmj h TRP 832 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.61 3hmj h TRP 832 CO 0.41 0.65 0.44 0.93 0.09 0.00 0.00 178.44 180.96 3hmj h GLU 833 N 0.00 0.00 0.00 0.12 4.39 -1.88 -1.72 114.58 115.49 3hmj h GLU 833 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3hmj h GLU 833 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 3hmj h GLU 833 CO 0.08 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.97 3hmj n GLN 834 N -3.11 0.37 0.22 2.33 6.02 -1.25 -2.78 117.38 119.18 3hmj n GLN 834 Ca 0.02 0.06 0.06 0.00 -0.01 0.00 0.00 57.00 57.12 3hmj n GLN 834 Cb 0.53 -1.50 0.51 0.00 1.02 0.00 0.00 30.24 30.80 3hmj n GLN 834 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3hmj h THR 835 N 0.00 1.11 0.00 5.09 2.02 -1.47 -1.95 112.91 117.71 3hmj h THR 835 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3hmj h THR 835 Cb 0.21 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3hmj h THR 835 CO 0.00 0.19 0.00 1.88 0.37 0.00 0.00 175.52 177.96 3hmj h TYR 836 N 0.00 0.00 0.00 3.16 0.05 -1.76 0.10 116.97 118.51 3hmj h TYR 836 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hmj h TYR 836 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3hmj h TYR 836 CO 0.00 0.00 0.00 1.63 -1.05 0.00 0.00 178.16 178.74 3hmj n LYS 837 N -2.96 0.00 -2.95 4.88 5.02 -0.89 -4.87 118.16 116.39 3hmj n LYS 837 Ca -0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 3hmj n LYS 837 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.24 3hmj n LYS 837 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hmj s LYS 838 N -0.70 2.99 0.23 1.97 1.02 -0.78 -5.00 119.74 119.46 3hmj s LYS 838 Ca 0.00 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 3hmj s LYS 838 Cb 0.00 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 3hmj s LYS 838 CO 0.00 -0.33 1.57 -2.14 -0.92 0.00 0.00 175.35 173.54 3hmj s PRO 839 N -4.57 4.18 -0.26 -1.68 0.02 -1.26 -4.15 135.00 127.28 3hmj s PRO 839 Ca 0.50 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.96 3hmj s PRO 839 Cb -0.10 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.41 3hmj s PRO 839 CO 0.38 -0.60 0.07 0.99 -0.33 0.00 0.00 177.00 177.51 3hmj s THR 840 N 0.53 0.73 -1.03 0.99 2.01 -0.35 -4.66 115.64 113.87 3hmj s THR 840 Ca 0.66 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 3hmj s THR 840 Cb -0.46 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3hmj s THR 840 CO 0.39 -0.48 0.09 0.61 -0.69 0.00 0.00 174.62 174.54 3hmj n GLY 841 N 4.93 -0.12 2.65 4.40 0.00 -1.26 -3.01 105.19 112.79 3hmj n GLY 841 Ca -0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3hmj n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLY 842 N -1.06 0.09 3.45 -0.02 0.00 -1.26 -3.83 105.19 102.56 3hmj n GLY 842 Ca -0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 3hmj n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmj s ILE 843 N -3.18 -0.44 0.24 -0.61 1.01 -1.16 -2.58 121.20 114.48 3hmj s ILE 843 Ca 0.29 0.07 0.11 0.00 0.00 0.00 0.00 60.65 61.12 3hmj s ILE 843 Cb -0.13 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 3hmj s ILE 843 CO 0.41 0.03 -0.14 0.68 0.00 0.00 0.00 174.94 175.92 3hmj s VAL 844 N 2.17 2.83 0.39 2.92 -7.23 -0.51 -1.21 120.40 119.77 3hmj s VAL 844 Ca -0.07 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 57.97 3hmj s VAL 844 Cb -0.09 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3hmj s VAL 844 CO -0.16 -0.29 0.67 0.42 -0.31 0.00 0.00 175.10 175.43 3hmj s THR 845 N -2.17 4.96 -0.12 5.32 -4.23 0.02 -0.99 115.64 118.43 3hmj s THR 845 Ca 0.28 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 3hmj s THR 845 Cb -0.07 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.04 3hmj s THR 845 CO 0.15 -0.61 0.72 -0.69 -0.54 0.00 0.00 174.62 173.66 3hmj s VAL 846 N -2.43 0.00 -0.12 2.29 1.01 -0.26 -4.86 120.40 116.03 3hmj s VAL 846 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 3hmj s VAL 846 Cb -0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3hmj s VAL 846 CO 0.37 0.00 0.21 -0.13 0.00 0.00 0.00 175.10 175.55 3hmj s ARG 847 N -0.75 3.76 1.26 2.72 0.52 -1.26 0.52 118.95 125.72 3hmj s ARG 847 Ca -0.07 -0.01 -0.20 0.00 -0.52 0.00 0.00 55.73 54.92 3hmj s ARG 847 Cb -0.01 -3.26 0.31 0.00 0.52 0.00 0.00 34.95 32.50 3hmj s ARG 847 CO 0.07 0.61 1.08 -1.54 0.02 0.00 0.00 175.30 175.54 3hmj s SER 848 N -0.62 0.40 0.62 0.23 1.04 -0.70 -4.80 113.70 109.88 3hmj s SER 848 Ca 0.16 0.63 0.35 0.00 0.48 0.00 0.00 55.95 57.57 3hmj s SER 848 Cb -0.13 -0.85 2.06 0.00 0.10 0.00 0.00 66.02 67.20 3hmj s SER 848 CO 0.05 -4.44 2.30 1.05 0.98 0.00 0.00 173.24 173.18 3hmj h GLU 849 N -2.80 0.00 -0.01 4.02 4.11 -1.91 -1.62 114.58 116.38 3hmj h GLU 849 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3hmj h GLU 849 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3hmj h GLU 849 CO 0.31 0.00 -0.49 -1.33 0.07 0.00 0.00 179.01 177.57 3hmj n MET 850 N -3.55 0.68 -0.20 1.06 2.81 -1.26 -4.97 117.12 111.69 3hmj n MET 850 Ca -0.03 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.37 3hmj n MET 850 Cb 0.08 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3hmj n MET 850 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hmj n GLY 851 N 1.42 0.61 3.81 3.03 0.00 -0.61 -5.07 105.19 108.38 3hmj n GLY 851 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3hmj n GLY 851 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hmj s GLU 852 N -0.80 4.34 0.36 1.61 -1.05 -1.26 -4.76 118.70 117.14 3hmj s GLU 852 Ca 0.00 0.99 -0.27 0.00 -0.15 0.00 0.00 54.97 55.54 3hmj s GLU 852 Cb 0.00 -2.87 -0.10 0.00 -0.44 0.00 0.00 34.13 30.73 3hmj s GLU 852 CO 0.00 0.37 1.28 -2.14 0.95 0.00 0.00 175.26 175.71 3hmj s PRO 853 N -1.98 4.21 -0.05 -4.83 0.02 -1.26 -1.72 135.00 129.39 3hmj s PRO 853 Ca 0.45 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3hmj s PRO 853 Cb -0.17 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.43 3hmj s PRO 853 CO 0.22 -0.28 -0.09 0.42 -0.33 0.00 0.00 177.00 176.95 3hmj s ILE 854 N -1.21 0.84 -0.43 2.83 -1.09 0.18 -1.85 121.20 120.47 3hmj s ILE 854 Ca 0.52 -0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.38 3hmj s ILE 854 Cb -0.38 -0.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.73 3hmj s ILE 854 CO 0.49 0.29 0.87 -1.00 -1.23 0.00 0.00 174.94 174.36 3hmj s HIS 855 N 0.71 3.00 0.12 3.97 3.76 0.18 -1.11 115.29 125.92 3hmj s HIS 855 Ca -0.12 0.44 0.08 0.00 -0.15 0.00 0.00 55.06 55.31 3hmj s HIS 855 Cb -0.14 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 3hmj s HIS 855 CO 0.02 -0.97 -0.20 0.15 -0.85 0.00 0.00 174.74 172.89 3hmj s LYS 856 N 3.50 1.17 0.27 1.40 1.02 -0.16 -2.46 119.74 124.48 3hmj s LYS 856 Ca 0.35 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 3hmj s LYS 856 Cb -0.11 -1.39 -0.11 0.00 -0.52 0.00 0.00 37.83 35.70 3hmj s LYS 856 CO 0.23 0.31 1.54 0.42 -0.92 0.00 0.00 175.35 176.93 3hmj s ILE 857 N -1.39 2.30 -0.25 2.17 1.01 0.16 -1.42 121.20 123.78 3hmj s ILE 857 Ca 0.09 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 3hmj s ILE 857 Cb -0.09 -3.16 -0.20 0.00 0.01 0.00 0.00 42.46 39.03 3hmj s ILE 857 CO 0.05 0.04 3.41 0.00 0.00 0.00 0.00 174.94 178.44 3hmj n ALA 858 N 2.31 6.52 -1.00 9.38 0.00 -1.06 -4.61 120.51 132.04 3hmj n ALA 858 Ca 0.08 -2.22 -0.29 0.00 0.00 0.00 0.00 53.44 51.01 3hmj n ALA 858 Cb 0.38 -2.40 0.20 0.00 0.00 0.00 0.00 19.45 17.63 3hmj n ALA 858 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hmj s THR 859 N 0.58 2.06 0.19 0.00 -4.23 -1.26 -4.73 115.64 108.25 3hmj s THR 859 Ca 0.66 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 61.07 3hmj s THR 859 Cb 0.31 -2.40 0.09 0.00 1.34 0.00 0.00 72.50 71.85 3hmj s THR 859 CO -0.04 -0.03 1.78 0.03 -0.54 0.00 0.00 174.62 175.82 3hmj h ARG 860 N -2.09 0.46 -0.83 3.99 3.08 -1.04 -0.78 114.38 117.17 3hmj h ARG 860 Ca -0.56 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 3hmj h ARG 860 Cb 1.33 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3hmj h ARG 860 CO 0.56 0.31 0.48 0.78 -1.07 0.00 0.00 179.97 181.02 3hmj h GLY 861 N 0.48 1.21 1.59 0.04 0.00 0.94 -1.45 103.07 105.88 3hmj h GLY 861 Ca 0.24 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3hmj h GLY 861 CO -0.19 0.51 -0.19 -2.08 0.00 0.00 0.00 176.54 174.59 3hmj h VAL 862 N 1.14 1.25 0.00 4.60 2.07 -1.58 -0.50 116.25 123.22 3hmj h VAL 862 Ca 0.29 -1.14 -0.16 0.00 0.82 0.00 0.00 66.70 66.52 3hmj h VAL 862 Cb -0.01 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3hmj h VAL 862 CO -0.05 0.36 -0.74 0.24 0.02 0.00 0.00 177.57 177.40 3hmj h MET 863 N 0.44 0.00 -0.03 1.57 2.07 -0.78 0.66 114.93 118.85 3hmj h MET 863 Ca 0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 3hmj h MET 863 Cb 0.58 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.30 3hmj h MET 863 CO 0.04 0.74 -0.00 1.25 1.07 0.00 0.00 176.91 180.01 3hmj h LEU 864 N 0.00 0.05 -1.15 1.22 5.85 -0.98 -0.19 115.31 120.11 3hmj h LEU 864 Ca -0.01 -0.35 0.20 0.00 0.84 0.00 0.00 57.88 58.56 3hmj h LEU 864 Cb 1.47 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 3hmj h LEU 864 CO 0.10 0.39 0.61 -0.25 -0.34 0.00 0.00 178.44 178.95 3hmj h TRP 865 N -0.28 0.92 -0.25 1.25 2.91 -0.92 0.17 115.95 119.75 3hmj h TRP 865 Ca 0.01 0.03 -0.18 0.00 1.13 0.00 0.00 58.89 59.88 3hmj h TRP 865 Cb 0.36 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 3hmj h TRP 865 CO 0.05 0.21 -0.55 -0.22 -1.03 0.00 0.00 178.44 176.90 3hmj h LYS 866 N 0.66 0.80 -0.07 2.65 3.64 -0.70 -1.32 116.57 122.25 3hmj h LYS 866 Ca 0.55 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3hmj h LYS 866 Cb 0.99 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3hmj h LYS 866 CO -0.32 1.16 0.02 1.49 -2.27 0.00 0.00 179.45 179.53 3hmj h GLU 867 N 0.56 0.11 -0.44 1.90 4.81 0.40 -1.46 114.58 120.46 3hmj h GLU 867 Ca 0.00 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3hmj h GLU 867 Cb 1.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3hmj h GLU 867 CO 0.12 0.28 0.29 0.74 -0.73 0.00 0.00 179.01 179.71 3hmj h PHE 868 N -0.08 0.43 -0.17 0.92 0.04 -0.79 0.19 116.94 117.48 3hmj h PHE 868 Ca 0.02 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3hmj h PHE 868 Cb 0.21 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3hmj h PHE 868 CO -0.00 0.25 -0.00 0.22 -0.60 0.00 0.00 178.31 178.17 3hmj h ASP 869 N 0.44 0.22 0.32 2.17 1.82 -0.58 0.25 116.42 121.06 3hmj h ASP 869 Ca 0.18 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.71 3hmj h ASP 869 Cb 0.17 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 3hmj h ASP 869 CO -0.04 0.27 -1.76 -0.62 -1.61 0.00 0.00 179.24 175.48 3hmj n GLU 870 N -4.39 0.65 -0.04 0.28 1.02 -0.20 -3.33 120.64 114.63 3hmj n GLU 870 Ca -0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 3hmj n GLU 870 Cb 0.17 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 3hmj n GLU 870 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hmj n THR 871 N -2.53 1.34 -0.06 2.62 -1.04 0.50 -4.61 114.28 110.50 3hmj n THR 871 Ca -0.09 0.24 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 3hmj n THR 871 Cb 0.70 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 3hmj n THR 871 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hmj h ILE 872 N -0.62 0.00 0.00 12.58 5.03 -1.49 -3.36 117.51 129.65 3hmj h ILE 872 Ca 0.00 -0.97 -0.04 0.00 -0.12 0.00 0.00 64.86 63.73 3hmj h ILE 872 Cb 0.62 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 3hmj h ILE 872 CO 0.00 0.00 -0.19 -0.26 -0.68 0.00 0.00 178.15 177.02 3hmj h PHE 873 N -0.97 0.00 -0.49 1.37 0.04 -1.23 -2.61 116.94 113.05 3hmj h PHE 873 Ca 0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 3hmj h PHE 873 Cb 0.27 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.32 3hmj h PHE 873 CO -0.12 0.19 -0.20 -0.97 -0.60 0.00 0.00 178.31 176.61 3hmj h ASN 874 N 0.00 -0.71 -4.18 2.17 -0.73 -1.69 -3.45 115.58 107.00 3hmj h ASN 874 Ca -0.00 0.17 -0.54 0.00 1.87 0.00 0.00 56.30 57.80 3hmj h ASN 874 Cb 0.35 0.40 0.17 0.00 0.27 0.00 0.00 38.32 39.51 3hmj h ASN 874 CO 0.02 -0.23 0.40 -0.76 -0.37 0.00 0.00 177.43 176.49 3hmj s LEU 875 N -10.71 3.30 0.52 0.34 1.43 -0.98 -4.97 118.68 107.60 3hmj s LEU 875 Ca -0.14 2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 3hmj s LEU 875 Cb 0.16 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 3hmj s LEU 875 CO 0.71 -2.37 0.99 -0.81 0.23 0.00 0.00 176.35 175.09 3hmj n PRO 876 N -2.79 1.14 0.00 1.29 -0.04 -1.26 -4.81 135.00 128.52 3hmj n PRO 876 Ca 0.14 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 64.03 3hmj n PRO 876 Cb 0.50 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3hmj n PRO 876 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hmj n LYS 877 N -0.48 0.00 0.10 0.54 5.02 -1.26 -0.68 118.16 121.41 3hmj n LYS 877 Ca 0.11 0.43 -0.18 0.00 -2.02 0.00 0.00 58.31 56.65 3hmj n LYS 877 Cb 0.44 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 3hmj n LYS 877 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3hmj h ASN 878 N 0.00 0.50 -0.01 4.39 -1.24 -2.03 -3.32 115.58 113.86 3hmj h ASN 878 Ca 0.00 -0.57 0.00 0.00 0.71 0.00 0.00 56.30 56.44 3hmj h ASN 878 Cb 0.02 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3hmj h ASN 878 CO 0.00 1.46 -0.00 0.29 -1.29 0.00 0.00 177.43 177.89 3hmj n LYS 879 N -3.54 1.64 0.13 6.67 4.76 0.15 -4.56 118.16 123.41 3hmj n LYS 879 Ca -0.13 -0.93 -0.05 0.00 -2.87 0.00 0.00 58.31 54.33 3hmj n LYS 879 Cb 1.05 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.73 3hmj n LYS 879 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hmj h LEU 880 N 2.27 -0.29 -1.57 -0.35 6.46 -1.61 -2.71 115.31 117.52 3hmj h LEU 880 Ca 0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3hmj h LEU 880 Cb 0.48 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3hmj h LEU 880 CO 0.00 -0.20 0.09 0.58 -0.62 0.00 0.00 178.44 178.30 3hmj h VAL 881 N -0.37 1.12 -0.25 1.05 2.07 -1.82 -1.55 116.25 116.49 3hmj h VAL 881 Ca -0.04 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3hmj h VAL 881 Cb 0.26 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3hmj h VAL 881 CO 0.06 0.14 -0.05 -0.65 0.02 0.00 0.00 177.57 177.09 3hmj h PRO 882 N 0.38 0.48 -0.51 1.57 0.11 -1.85 -2.80 132.00 129.38 3hmj h PRO 882 Ca 0.10 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3hmj h PRO 882 Cb 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3hmj h PRO 882 CO -0.01 0.69 0.15 1.15 -0.21 0.00 0.00 178.00 179.77 3hmj h THR 883 N 0.23 1.21 -0.12 -1.15 2.02 -1.02 -1.64 112.91 112.43 3hmj h THR 883 Ca 0.07 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3hmj h THR 883 Cb 0.50 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3hmj h THR 883 CO 0.02 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.18 3hmj h LEU 884 N 0.74 0.15 -0.86 2.58 3.38 -1.34 -2.73 115.31 117.23 3hmj h LEU 884 Ca 0.17 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3hmj h LEU 884 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hmj h LEU 884 CO -0.01 0.16 -0.18 -0.33 0.09 0.00 0.00 178.44 178.16 3hmj h GLU 885 N 0.13 0.64 0.00 1.13 4.39 -1.19 0.40 114.58 120.07 3hmj h GLU 885 Ca 0.04 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3hmj h GLU 885 Cb 0.04 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hmj h GLU 885 CO -0.01 0.79 0.00 0.00 -1.16 0.00 0.00 179.01 178.63 3hmj n ALA 886 N -2.49 2.35 -0.48 3.43 0.00 -0.65 -3.02 120.51 119.65 3hmj n ALA 886 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hmj n ALA 886 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3hmj n ALA 886 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hmj n LYS 887 N -1.11 -0.18 -0.34 0.00 5.02 -0.80 -4.88 118.16 115.86 3hmj n LYS 887 Ca 0.16 -0.22 0.13 0.00 -2.02 0.00 0.00 58.31 56.35 3hmj n LYS 887 Cb 0.13 -0.70 0.25 0.00 -0.02 0.00 0.00 35.03 34.69 3hmj n LYS 887 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3hmj n ARG 888 N -0.04 -0.08 -0.03 1.97 0.63 0.13 0.06 116.66 119.31 3hmj n ARG 888 Ca 0.00 1.46 -0.11 0.00 -0.92 0.00 0.00 57.85 58.28 3hmj n ARG 888 Cb 0.12 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 30.68 3hmj n ARG 888 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3hmj h ASP 889 N 0.00 0.20 0.87 6.15 5.19 -1.86 -0.39 116.42 126.56 3hmj h ASP 889 Ca 0.56 -0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.74 3hmj h ASP 889 Cb 1.10 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.57 3hmj h ASP 889 CO -0.93 0.33 -0.42 0.22 -3.12 0.00 0.00 179.24 175.33 3hmj h TYR 890 N 0.05 -1.08 -0.75 4.55 3.20 -0.74 -1.41 116.97 120.80 3hmj h TYR 890 Ca 0.04 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.04 3hmj h TYR 890 Cb 0.20 0.36 -0.14 0.00 1.54 0.00 0.00 36.73 38.68 3hmj h TYR 890 CO -0.01 -0.67 -0.22 0.82 -1.64 0.00 0.00 178.16 176.44 3hmj h ILE 891 N -1.21 0.21 0.00 1.81 2.04 -0.56 0.29 117.51 120.10 3hmj h ILE 891 Ca -0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3hmj h ILE 891 Cb 0.89 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3hmj h ILE 891 CO 0.20 0.00 -0.18 -0.29 0.00 0.00 0.00 178.15 177.87 3hmj h ILE 892 N -0.03 0.99 0.07 -0.67 2.10 -1.01 -2.20 117.51 116.76 3hmj h ILE 892 Ca 0.35 -0.66 -0.14 0.00 1.08 0.00 0.00 64.86 65.49 3hmj h ILE 892 Cb 0.56 1.37 0.01 0.00 -1.09 0.00 0.00 36.82 37.68 3hmj h ILE 892 CO -0.78 0.18 -0.58 -1.28 -1.08 0.00 0.00 178.15 174.61 3hmj h SER 893 N 0.00 0.40 0.39 2.19 0.87 0.64 -3.06 113.55 114.98 3hmj h SER 893 Ca -0.00 -0.88 -0.05 0.00 -1.23 0.00 0.00 61.79 59.62 3hmj h SER 893 Cb 0.36 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3hmj h SER 893 CO 0.02 1.24 -0.26 0.03 -0.53 0.00 0.00 176.83 177.34 3hmj h ARG 894 N -0.39 0.00 0.45 2.24 2.47 -0.93 -2.11 114.38 116.11 3hmj h ARG 894 Ca -0.09 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3hmj h ARG 894 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 3hmj h ARG 894 CO 0.11 0.26 -0.22 -0.07 0.56 0.00 0.00 179.97 180.61 3hmj h LEU 895 N 0.00 -0.51 -2.56 3.04 3.38 -1.47 -2.21 115.31 114.98 3hmj h LEU 895 Ca -0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hmj h LEU 895 Cb 0.52 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hmj h LEU 895 CO 0.03 -0.23 0.07 0.78 0.09 0.00 0.00 178.44 179.19 3hmj h ASN 896 N -0.79 0.00 0.03 -0.43 2.35 -1.37 -2.76 115.58 112.61 3hmj h ASN 896 Ca -0.06 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.32 3hmj h ASN 896 Cb 0.55 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 3hmj h ASN 896 CO 0.10 0.00 -2.10 0.00 -1.65 0.00 0.00 177.43 173.78 3hmj n ALA 897 N -2.20 1.09 -0.10 -0.83 0.00 -0.82 -4.80 120.51 112.84 3hmj n ALA 897 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3hmj n ALA 897 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3hmj n ALA 897 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hmj n ASP 898 N -3.91 0.61 -4.59 0.00 8.00 -0.84 -5.00 116.55 110.82 3hmj n ASP 898 Ca -0.43 -0.84 -0.25 0.00 0.71 0.00 0.00 54.79 53.99 3hmj n ASP 898 Cb 0.89 0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 42.16 3hmj n ASP 898 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hmj s PHE 899 N -0.25 2.64 -0.34 1.24 5.36 -1.04 -0.90 117.98 124.68 3hmj s PHE 899 Ca 0.00 -0.23 0.27 0.00 -0.96 0.00 0.00 56.93 56.01 3hmj s PHE 899 Cb 0.00 -1.23 0.76 0.00 -0.34 0.00 0.00 43.02 42.21 3hmj s PHE 899 CO 0.00 0.57 1.75 -0.56 -1.46 0.00 0.00 175.22 175.52 3hmj h GLN 900 N 2.48 0.00 -4.53 10.12 3.07 -1.70 -3.38 115.11 121.18 3hmj h GLN 900 Ca -0.45 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 57.58 3hmj h GLN 900 Cb 1.22 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.49 3hmj h GLN 900 CO 0.57 0.00 -0.52 0.15 0.09 0.00 0.00 178.83 179.12 3hmj s LYS 901 N -3.33 2.53 1.03 0.06 1.02 -1.26 -4.62 119.74 115.17 3hmj s LYS 901 Ca 0.06 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.51 3hmj s LYS 901 Cb 0.08 -3.65 0.20 0.00 -0.52 0.00 0.00 37.83 33.94 3hmj s LYS 901 CO 0.60 -0.87 1.09 -2.14 -0.92 0.00 0.00 175.35 173.10 3hmj s PRO 902 N 1.38 0.21 -0.25 -1.68 0.02 -1.26 -4.61 135.00 128.81 3hmj s PRO 902 Ca 0.02 0.50 -0.29 0.00 0.02 0.00 0.00 61.00 61.25 3hmj s PRO 902 Cb -0.22 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.60 3hmj s PRO 902 CO 0.01 -2.88 1.04 -0.46 -0.33 0.00 0.00 177.00 174.39 3hmj s TRP 903 N -2.93 3.30 0.11 6.54 -0.11 -1.26 -1.46 118.94 123.13 3hmj s TRP 903 Ca 0.66 1.41 -0.23 0.00 1.22 0.00 0.00 56.10 59.15 3hmj s TRP 903 Cb -0.19 -3.35 -0.08 0.00 -1.50 0.00 0.00 33.47 28.35 3hmj s TRP 903 CO 0.58 -0.54 1.69 0.35 -4.62 0.00 0.00 176.95 174.41 3hmj h PHE 904 N 7.58 -0.29 0.00 5.86 3.57 -1.55 -2.93 116.94 129.19 3hmj h PHE 904 Ca -0.19 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.20 3hmj h PHE 904 Cb 1.06 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 3hmj h PHE 904 CO 0.77 -0.17 -0.17 0.00 -2.23 0.00 0.00 178.31 176.50 3hmj n ALA 905 N -2.40 4.94 -3.47 2.41 0.00 -1.26 -4.67 120.51 116.06 3hmj n ALA 905 Ca -0.05 -1.13 -0.36 0.00 0.00 0.00 0.00 53.44 51.90 3hmj n ALA 905 Cb 0.17 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 3hmj n ALA 905 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hmj s THR 906 N 1.12 3.35 -0.21 0.00 -1.32 -1.11 -1.83 115.64 115.64 3hmj s THR 906 Ca 0.41 -1.06 -0.08 0.00 -1.21 0.00 0.00 61.69 59.75 3hmj s THR 906 Cb 0.20 -2.80 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3hmj s THR 906 CO 0.00 0.02 0.09 0.54 -2.21 0.00 0.00 174.62 173.06 3hmj s VAL 907 N 1.36 4.92 -0.25 5.08 0.11 -0.42 -4.57 120.40 126.63 3hmj s VAL 907 Ca -0.01 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 3hmj s VAL 907 Cb -0.18 -3.25 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 3hmj s VAL 907 CO -0.00 0.42 0.16 -0.46 -3.33 0.00 0.00 175.10 171.88 3hmj n ASN 908 N 3.89 -1.06 0.00 3.54 6.94 -1.26 -0.09 115.26 127.22 3hmj n ASN 908 Ca -0.16 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 3hmj n ASN 908 Cb 0.52 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3hmj n ASN 908 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hmj n GLY 909 N -1.02 2.41 3.62 4.83 0.00 -1.26 -4.94 105.19 108.83 3hmj n GLY 909 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3hmj n GLY 909 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hmj s GLN 910 N 0.00 3.55 0.32 1.61 2.00 0.88 -4.98 119.66 123.04 3hmj s GLN 910 Ca 0.00 1.76 -0.29 0.00 -2.00 0.00 0.00 55.36 54.84 3hmj s GLN 910 Cb 0.00 -4.17 -0.10 0.00 0.80 0.00 0.00 33.01 29.54 3hmj s GLN 910 CO 0.00 -1.60 1.21 0.00 -0.50 0.00 0.00 175.29 174.40 3hmj s ALA 911 N 6.28 3.42 0.15 1.58 0.00 -1.26 -1.30 121.76 130.62 3hmj s ALA 911 Ca 0.82 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 53.63 3hmj s ALA 911 Cb -0.28 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.52 3hmj s ALA 911 CO 0.33 -0.44 1.08 -0.98 0.00 0.00 0.00 175.76 175.75 3hmj s ARG 912 N -1.73 1.15 0.41 0.00 1.70 -0.76 -4.92 118.95 114.80 3hmj s ARG 912 Ca 0.48 -0.74 0.08 0.00 -0.47 0.00 0.00 55.73 55.08 3hmj s ARG 912 Cb -0.36 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.35 3hmj s ARG 912 CO 0.47 -0.54 0.51 -0.51 -1.08 0.00 0.00 175.30 174.14 3hmj s ASP 913 N -3.46 5.53 0.32 -2.89 1.01 -1.26 -4.44 116.67 111.47 3hmj s ASP 913 Ca 0.23 -0.48 0.13 0.00 0.71 0.00 0.00 52.55 53.14 3hmj s ASP 913 Cb -0.02 -0.69 0.51 0.00 1.01 0.00 0.00 42.92 43.72 3hmj s ASP 913 CO 0.04 -0.69 1.68 0.25 0.21 0.00 0.00 175.17 176.66 3hmj h LEU 914 N 0.77 0.00 -0.31 1.23 5.85 -1.88 -2.18 115.31 118.80 3hmj h LEU 914 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hmj h LEU 914 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3hmj h LEU 914 CO 0.49 0.51 -0.00 0.00 -0.34 0.00 0.00 178.44 179.10 3hmj n ALA 915 N -2.39 2.65 -1.57 1.25 0.00 -1.26 -3.25 120.51 115.95 3hmj n ALA 915 Ca -0.01 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.21 3hmj n ALA 915 Cb 0.55 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.80 3hmj n ALA 915 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hmj n THR 916 N -0.63 2.21 -4.22 0.00 5.66 -0.82 -4.48 114.28 112.01 3hmj n THR 916 Ca 0.22 -3.18 -0.23 0.00 -3.05 0.00 0.00 64.05 57.82 3hmj n THR 916 Cb 0.19 -0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 68.66 3hmj n THR 916 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 3hmj s MET 917 N -3.22 2.57 0.37 1.09 1.00 -1.20 -4.77 119.30 115.13 3hmj s MET 917 Ca 0.38 -1.25 0.06 0.00 0.00 0.00 0.00 55.69 54.87 3hmj s MET 917 Cb 0.37 -2.34 -0.00 0.00 0.00 0.00 0.00 34.83 32.86 3hmj s MET 917 CO -0.06 0.38 0.52 0.95 0.00 0.00 0.00 175.02 176.81 3hmj s THR 918 N -2.23 3.85 0.38 2.05 -4.23 -1.26 -1.43 115.64 112.76 3hmj s THR 918 Ca 0.32 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 3hmj s THR 918 Cb -0.07 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.73 3hmj s THR 918 CO 0.22 -0.15 1.95 1.88 -0.54 0.00 0.00 174.62 177.99 3hmj h TYR 919 N 0.77 0.70 0.75 3.99 -1.99 -1.60 -1.72 116.97 117.87 3hmj h TYR 919 Ca -0.45 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 3hmj h TYR 919 Cb 1.26 -0.23 0.01 0.00 2.00 0.00 0.00 36.73 39.77 3hmj h TYR 919 CO 0.42 0.35 -0.36 1.49 -0.00 0.00 0.00 178.16 180.07 3hmj h GLU 920 N 0.68 -0.97 -1.16 4.88 4.81 -1.87 -2.22 114.58 118.74 3hmj h GLU 920 Ca 0.32 0.07 0.37 0.00 -0.13 0.00 0.00 59.36 59.99 3hmj h GLU 920 Cb 0.36 0.22 -0.13 0.00 0.63 0.00 0.00 28.75 29.82 3hmj h GLU 920 CO -0.11 -0.64 0.72 0.93 -0.73 0.00 0.00 179.01 179.17 3hmj h GLU 921 N -1.19 0.19 -0.00 1.92 5.08 -1.75 0.77 114.58 119.60 3hmj h GLU 921 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hmj h GLU 921 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3hmj h GLU 921 CO 0.17 0.13 -0.01 0.28 -1.00 0.00 0.00 179.01 178.58 3hmj h VAL 922 N 0.20 1.56 -0.96 3.13 2.07 -1.27 -0.33 116.25 120.65 3hmj h VAL 922 Ca 0.76 -1.64 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3hmj h VAL 922 Cb 2.11 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 34.48 3hmj h VAL 922 CO -0.48 0.43 0.61 0.00 0.02 0.00 0.00 177.57 178.15 3hmj h ALA 923 N 0.30 1.33 -0.05 1.67 0.00 -0.50 0.48 119.26 122.50 3hmj h ALA 923 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3hmj h ALA 923 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hmj h ALA 923 CO 0.00 0.37 -0.64 0.87 0.00 0.00 0.00 179.25 179.84 3hmj h LYS 924 N 1.09 0.19 -0.12 0.00 1.57 -0.91 -1.80 116.57 116.59 3hmj h LYS 924 Ca 0.42 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 3hmj h LYS 924 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3hmj h LYS 924 CO -0.18 0.77 -0.60 -0.09 -0.57 0.00 0.00 179.45 178.77 3hmj h ARG 925 N 0.14 0.42 -0.03 3.15 9.65 -0.13 -1.21 114.38 126.37 3hmj h ARG 925 Ca -0.01 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.58 3hmj h ARG 925 Cb 1.16 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3hmj h ARG 925 CO 0.10 0.90 0.01 -0.07 2.80 0.00 0.00 179.97 183.70 3hmj h LEU 926 N 0.31 0.04 -0.84 3.80 3.38 0.21 -2.50 115.31 119.71 3hmj h LEU 926 Ca -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hmj h LEU 926 Cb 1.14 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3hmj h LEU 926 CO 0.10 0.27 0.50 0.58 0.09 0.00 0.00 178.44 179.98 3hmj h VAL 927 N -0.19 1.24 -0.96 1.22 2.07 -1.35 -2.05 116.25 116.23 3hmj h VAL 927 Ca 0.01 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.10 3hmj h VAL 927 Cb 0.24 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 3hmj h VAL 927 CO 0.00 0.25 0.61 -0.08 0.02 0.00 0.00 177.57 178.37 3hmj h GLU 928 N 1.15 0.95 0.00 1.57 4.81 -1.02 -1.01 114.58 121.04 3hmj h GLU 928 Ca 0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3hmj h GLU 928 Cb -0.03 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3hmj h GLU 928 CO -0.06 0.63 -0.89 1.28 -0.73 0.00 0.00 179.01 179.24 3hmj n LEU 929 N -4.56 0.76 -0.00 1.64 4.77 -0.96 -4.55 117.00 114.11 3hmj n LEU 929 Ca 0.17 -0.46 -0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hmj n LEU 929 Cb 0.31 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hmj n LEU 929 CO 0.30 0.19 -0.50 0.23 -1.33 0.00 0.00 177.39 176.28 3hmj n MET 930 N -1.46 3.64 -3.02 3.23 2.81 -0.79 -4.92 117.12 116.60 3hmj n MET 930 Ca 0.03 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 3hmj n MET 930 Cb 0.28 -1.00 -0.06 0.00 -0.71 0.00 0.00 33.22 31.73 3hmj n MET 930 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3hmj s PHE 931 N -2.00 3.06 -0.37 2.03 5.36 -0.39 -1.86 117.98 123.81 3hmj s PHE 931 Ca -0.00 0.24 -0.29 0.00 -0.96 0.00 0.00 56.93 55.92 3hmj s PHE 931 Cb 0.00 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.26 3hmj s PHE 931 CO 0.00 -0.84 1.19 0.42 -1.46 0.00 0.00 175.22 174.54 3hmj s ILE 932 N 3.04 4.25 0.07 3.12 1.01 -0.03 -4.74 121.20 127.92 3hmj s ILE 932 Ca 0.28 1.38 -0.21 0.00 0.00 0.00 0.00 60.65 62.10 3hmj s ILE 932 Cb -0.13 -4.37 -0.12 0.00 0.01 0.00 0.00 42.46 37.86 3hmj s ILE 932 CO 0.19 -0.65 1.54 0.03 0.00 0.00 0.00 174.94 176.05 3hmj h ARG 933 N 9.02 0.25 -0.40 2.79 2.47 -1.90 -2.30 114.38 124.31 3hmj h ARG 933 Ca -0.24 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 58.51 3hmj h ARG 933 Cb 1.08 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 3hmj h ARG 933 CO 1.06 0.42 0.28 0.66 0.56 0.00 0.00 179.97 182.96 3hmj h SER 934 N 0.04 0.13 -0.45 7.04 4.64 -1.92 -0.42 113.55 122.60 3hmj h SER 934 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hmj h SER 934 Cb 0.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hmj h SER 934 CO 0.00 0.08 0.00 0.35 -0.87 0.00 0.00 176.83 176.39 3hmj n THR 935 N -4.45 1.25 -3.93 2.95 -2.24 -1.21 -4.98 114.28 101.66 3hmj n THR 935 Ca 0.06 -1.13 -0.27 0.00 -2.27 0.00 0.00 64.05 60.44 3hmj n THR 935 Cb 0.38 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 3hmj n THR 935 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hmj n ASN 936 N 0.68 -2.26 -3.69 3.42 2.85 -0.17 -4.93 115.26 111.16 3hmj n ASN 936 Ca 0.17 -0.74 -0.14 0.00 -0.11 0.00 0.00 54.58 53.76 3hmj n ASN 936 Cb 0.57 -0.89 -0.09 0.00 1.24 0.00 0.00 39.78 40.61 3hmj n ASN 936 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3hmj s SER 937 N -4.16 -0.53 -0.19 1.20 0.15 -0.89 -5.04 113.70 104.24 3hmj s SER 937 Ca 0.28 0.97 -0.29 0.00 0.70 0.00 0.00 55.95 57.60 3hmj s SER 937 Cb -0.16 0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 3hmj s SER 937 CO 0.55 -0.23 1.51 0.26 1.20 0.00 0.00 173.24 176.54 3hmj s TRP 938 N 0.06 2.30 0.56 3.44 0.52 -1.26 -0.85 118.94 123.70 3hmj s TRP 938 Ca -0.02 0.61 0.28 0.00 0.02 0.00 0.00 56.10 56.99 3hmj s TRP 938 Cb -0.04 -3.88 1.48 0.00 -1.15 0.00 0.00 33.47 29.89 3hmj s TRP 938 CO 0.02 -2.71 1.98 0.35 0.02 0.00 0.00 176.95 176.61 3hmj h PHE 939 N 9.86 0.00 -3.06 -1.98 3.57 -1.73 -3.39 116.94 120.20 3hmj h PHE 939 Ca -0.32 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.01 3hmj h PHE 939 Cb 1.14 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 39.62 3hmj h PHE 939 CO 0.88 0.00 -0.41 0.34 -2.23 0.00 0.00 178.31 176.89 3hmj s ASP 940 N -5.77 -0.28 0.43 0.41 -1.08 -1.26 -5.05 116.67 104.08 3hmj s ASP 940 Ca -0.05 0.55 0.09 0.00 -0.52 0.00 0.00 52.55 52.63 3hmj s ASP 940 Cb 0.18 0.53 0.96 0.00 -1.46 0.00 0.00 42.92 43.12 3hmj s ASP 940 CO 0.64 -0.11 2.07 0.58 0.52 0.00 0.00 175.17 178.88 3hmj h VAL 941 N 4.95 1.07 -0.45 1.11 2.07 -2.00 -0.63 116.25 122.37 3hmj h VAL 941 Ca -0.29 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3hmj h VAL 941 Cb 1.19 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3hmj h VAL 941 CO 0.34 0.08 0.14 0.71 0.02 0.00 0.00 177.57 178.86 3hmj h THR 942 N 0.43 1.18 0.00 2.57 1.35 -1.96 0.14 112.91 116.62 3hmj h THR 942 Ca 0.13 -0.62 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 3hmj h THR 942 Cb -0.01 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 3hmj h THR 942 CO -0.03 0.23 -0.23 -0.50 -0.25 0.00 0.00 175.52 174.74 3hmj h TRP 943 N 0.64 0.00 0.10 4.73 6.55 -1.47 0.37 115.95 126.87 3hmj h TRP 943 Ca 0.15 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.79 3hmj h TRP 943 Cb 0.19 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.51 3hmj h TRP 943 CO 0.01 0.23 -0.86 -0.09 -1.05 0.00 0.00 178.44 176.68 3hmj h ARG 944 N 0.00 0.41 -0.93 0.49 2.43 -1.08 -3.10 114.38 112.60 3hmj h ARG 944 Ca -0.00 -0.57 0.11 0.00 -0.81 0.00 0.00 59.98 58.71 3hmj h ARG 944 Cb 0.78 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.44 3hmj h ARG 944 CO 0.03 1.24 0.56 1.15 -1.51 0.00 0.00 179.97 181.44 3hmj h THR 945 N -0.15 0.90 0.73 0.20 2.02 -0.45 -2.24 112.91 113.93 3hmj h THR 945 Ca -0.14 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3hmj h THR 945 Cb 1.62 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3hmj h THR 945 CO 0.17 0.16 -0.44 0.15 0.37 0.00 0.00 175.52 175.93 3hmj h PHE 946 N 0.90 -1.18 0.00 3.16 3.57 -0.30 -1.30 116.94 121.78 3hmj h PHE 946 Ca 0.46 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 3hmj h PHE 946 Cb 0.46 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3hmj h PHE 946 CO -0.03 -0.66 -0.08 1.79 -2.23 0.00 0.00 178.31 177.09 3hmj h THR 947 N -1.10 0.46 0.31 4.41 1.35 -1.48 -1.29 112.91 115.57 3hmj h THR 947 Ca -0.10 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 3hmj h THR 947 Cb 0.88 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3hmj h THR 947 CO 0.11 0.08 -0.15 1.23 -0.25 0.00 0.00 175.52 176.54 3hmj h GLY 948 N 0.76 -0.43 0.10 5.82 0.00 -1.22 -1.31 103.07 106.80 3hmj h GLY 948 Ca -0.00 0.16 0.24 0.00 0.00 0.00 0.00 47.33 47.72 3hmj h GLY 948 CO 0.01 -0.16 0.64 -0.55 0.00 0.00 0.00 176.54 176.49 3hmj h ASP 949 N -0.74 0.39 -0.08 0.19 3.32 -0.15 0.28 116.42 119.63 3hmj h ASP 949 Ca -0.04 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3hmj h ASP 949 Cb 0.50 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hmj h ASP 949 CO 0.07 0.12 -0.25 0.15 -1.72 0.00 0.00 179.24 177.61 3hmj h PHE 950 N 0.37 0.40 -0.25 4.55 3.04 -1.16 -1.99 116.94 121.90 3hmj h PHE 950 Ca 0.52 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 62.26 3hmj h PHE 950 Cb 1.37 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 3hmj h PHE 950 CO -0.00 0.86 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.01 3hmj h LEU 951 N -0.17 0.37 -0.49 0.59 3.38 -0.26 -0.06 115.31 118.66 3hmj h LEU 951 Ca -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hmj h LEU 951 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3hmj h LEU 951 CO 0.05 0.48 0.15 -0.09 0.09 0.00 0.00 178.44 179.12 3hmj h ARG 952 N 0.37 0.77 -0.93 1.13 9.65 -0.91 -1.44 114.38 123.03 3hmj h ARG 952 Ca 0.08 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3hmj h ARG 952 Cb 0.36 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 3hmj h ARG 952 CO 0.02 0.73 0.58 -0.09 2.80 0.00 0.00 179.97 184.00 3hmj h ARG 953 N 0.67 1.24 -0.64 0.20 9.65 -0.51 -0.79 114.38 124.21 3hmj h ARG 953 Ca 0.16 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3hmj h ARG 953 Cb 0.28 -0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 3hmj h ARG 953 CO -0.00 0.85 0.39 0.28 2.80 0.00 0.00 179.97 184.29 3hmj h VAL 954 N 1.27 1.07 -0.34 0.20 2.07 -0.25 -1.06 116.25 119.21 3hmj h VAL 954 Ca 0.34 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3hmj h VAL 954 Cb -0.09 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3hmj h VAL 954 CO -0.07 0.14 0.17 -0.33 0.02 0.00 0.00 177.57 177.50 3hmj h GLU 955 N 0.76 0.49 -0.55 1.57 5.08 -0.68 -2.46 114.58 118.79 3hmj h GLU 955 Ca 0.26 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3hmj h GLU 955 Cb 0.04 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3hmj h GLU 955 CO -0.11 0.44 0.26 0.93 -1.00 0.00 0.00 179.01 179.52 3hmj h GLU 956 N 0.42 0.47 0.25 2.33 5.08 -0.51 -1.03 114.58 121.60 3hmj h GLU 956 Ca 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3hmj h GLU 956 Cb 0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hmj h GLU 956 CO -0.02 0.31 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.09 3hmj h ARG 957 N 0.49 -0.33 0.00 2.33 9.65 -1.10 -3.34 114.38 122.08 3hmj h ARG 957 Ca 0.26 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 3hmj h ARG 957 Cb 0.21 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3hmj h ARG 957 CO -0.21 -0.07 -0.61 0.74 2.80 0.00 0.00 179.97 182.62 3hmj h PHE 958 N -0.55 0.00 -4.14 2.20 0.04 -1.32 -3.45 116.94 109.71 3hmj h PHE 958 Ca -0.03 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.21 3hmj h PHE 958 Cb 0.41 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.68 3hmj h PHE 958 CO -0.00 0.00 0.42 -0.08 -0.60 0.00 0.00 178.31 178.05 3hmj s THR 959 N -3.19 2.71 -0.19 -1.55 -1.32 -0.40 -4.98 115.64 106.72 3hmj s THR 959 Ca 0.06 0.39 -0.16 0.00 -1.21 0.00 0.00 61.69 60.76 3hmj s THR 959 Cb 0.12 -3.03 -0.07 0.00 -1.51 0.00 0.00 72.50 68.01 3hmj s THR 959 CO 0.72 -0.15 -0.32 0.29 -2.21 0.00 0.00 174.62 172.95 3hmj n LYS 960 N -2.07 0.53 -1.96 7.08 4.76 -1.26 -5.01 118.16 120.24 3hmj n LYS 960 Ca 0.13 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 3hmj n LYS 960 Cb 0.50 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 3hmj n LYS 960 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3hmj n SER 961 N -4.44 1.05 -4.69 4.39 3.41 -1.26 -5.09 113.62 106.99 3hmj n SER 961 Ca -0.20 -1.69 -0.39 0.00 -0.26 0.00 0.00 58.87 56.33 3hmj n SER 961 Cb 0.55 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3hmj n SER 961 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hmj s LYS 962 N -3.10 4.29 0.00 4.33 2.20 -1.26 -5.04 119.74 121.16 3hmj s LYS 962 Ca 0.24 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 3hmj s LYS 962 Cb -0.02 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3hmj s LYS 962 CO 0.15 -0.03 0.00 0.25 -0.36 0.00 0.00 175.35 175.36 3hmj n THR 963 N 4.16 0.00 -4.20 3.43 -2.24 -1.26 -5.17 114.28 109.00 3hmj n THR 963 Ca -0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.46 3hmj n THR 963 Cb 0.51 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 3hmj n THR 963 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3hmj s LEU 964 N 0.00 3.27 0.41 3.22 2.34 -1.26 -5.08 118.68 121.58 3hmj s LEU 964 Ca 0.00 -0.35 -0.26 0.00 0.06 0.00 0.00 54.13 53.58 3hmj s LEU 964 Cb 0.00 -1.97 -0.09 0.00 -0.56 0.00 0.00 46.19 43.57 3hmj s LEU 964 CO 0.00 0.13 1.33 -0.55 -1.06 0.00 0.00 176.35 176.20 3hmj s SER 965 N -2.63 6.27 0.02 1.48 0.15 -1.26 -4.91 113.70 112.83 3hmj s SER 965 Ca 0.26 2.72 0.27 0.00 0.70 0.00 0.00 55.95 59.90 3hmj s SER 965 Cb -0.10 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.46 3hmj s SER 965 CO 0.17 -0.88 1.70 0.18 1.20 0.00 0.00 173.24 175.61 3hmj n LEU 966 N 0.14 0.28 -3.79 3.45 4.32 -1.26 -4.01 117.00 116.13 3hmj n LEU 966 Ca 0.03 0.32 -0.33 0.00 -0.02 0.00 0.00 56.01 56.02 3hmj n LEU 966 Cb 0.43 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 3hmj n LEU 966 CO 0.57 0.02 0.34 -0.38 -1.22 0.00 0.00 177.39 176.72 3hmj n ILE 967 N -1.60 3.01 -0.18 -0.08 2.08 -1.26 -4.91 119.36 116.42 3hmj n ILE 967 Ca 0.06 -5.28 -0.08 0.00 0.56 0.00 0.00 62.75 58.01 3hmj n ILE 967 Cb 0.35 -2.19 0.01 0.00 -0.75 0.00 0.00 39.64 37.07 3hmj n ILE 967 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3hmj h GLN 968 N 5.08 0.75 -5.31 0.38 1.08 -1.98 -3.42 115.11 111.69 3hmj h GLN 968 Ca 0.18 -0.12 -0.51 0.00 -1.45 0.00 0.00 58.65 56.76 3hmj h GLN 968 Cb 0.71 -0.13 -0.30 0.00 -0.05 0.00 0.00 27.48 27.71 3hmj h GLN 968 CO 0.92 0.64 -0.82 0.45 -0.95 0.00 0.00 178.83 179.07 3hmj s SER 969 N -5.93 1.79 0.00 1.46 0.15 -1.26 -5.03 113.70 104.87 3hmj s SER 969 Ca -0.13 -0.28 0.12 0.00 0.70 0.00 0.00 55.95 56.36 3hmj s SER 969 Cb 0.12 -0.28 0.52 0.00 -1.71 0.00 0.00 66.02 64.67 3hmj s SER 969 CO 0.77 0.17 1.36 -1.22 1.20 0.00 0.00 173.24 175.52 3hmj n TYR 970 N 2.84 0.00 0.04 3.44 4.01 -1.26 -1.57 117.16 124.66 3hmj n TYR 970 Ca -0.15 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.72 3hmj n TYR 970 Cb 0.54 -0.46 0.59 0.00 -0.31 0.00 0.00 39.34 39.70 3hmj n TYR 970 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3hmj h SER 971 N 0.00 0.16 0.05 7.72 0.02 -1.98 -0.04 113.55 119.49 3hmj h SER 971 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hmj h SER 971 Cb 0.19 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3hmj h SER 971 CO 0.00 0.10 0.00 0.25 -1.14 0.00 0.00 176.83 176.04 3hmj h LEU 972 N 0.18 0.00 0.00 5.07 6.46 -1.71 0.70 115.31 126.02 3hmj h LEU 972 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3hmj h LEU 972 Cb 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3hmj h LEU 972 CO -0.03 0.00 0.00 0.18 -0.62 0.00 0.00 178.44 177.97 3hmj n LEU 973 N -2.53 0.00 0.28 2.25 7.99 -0.03 -3.36 117.00 121.60 3hmj n LEU 973 Ca -0.02 0.40 0.18 0.00 -0.01 0.00 0.00 56.01 56.56 3hmj n LEU 973 Cb 0.06 -0.40 0.80 0.00 -0.11 0.00 0.00 43.42 43.77 3hmj n LEU 973 CO 0.14 -0.03 1.03 0.44 -1.51 0.00 0.00 177.39 177.45 3hmj h ASP 974 N 0.00 0.00 -3.01 -1.43 3.32 -1.01 -2.46 116.42 111.83 3hmj h ASP 974 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3hmj h ASP 974 Cb 0.37 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.55 3hmj h ASP 974 CO 0.00 0.00 -0.17 0.29 -1.72 0.00 0.00 179.24 177.64 3hmj n LYS 975 N -3.01 2.70 -0.08 3.56 5.02 -1.21 -4.92 118.16 120.22 3hmj n LYS 975 Ca -0.00 -4.53 -0.07 0.00 -2.02 0.00 0.00 58.31 51.68 3hmj n LYS 975 Cb 0.24 -2.37 -0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3hmj n LYS 975 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hmj h PRO 976 N 5.47 0.19 -0.10 1.97 0.11 -1.68 -1.79 132.00 136.18 3hmj h PRO 976 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hmj h PRO 976 Cb 0.75 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3hmj h PRO 976 CO 0.89 0.13 0.06 -0.44 -0.21 0.00 0.00 178.00 178.42 3hmj h ASP 977 N 0.20 0.09 -0.99 -2.05 3.32 -1.94 -0.31 116.42 114.75 3hmj h ASP 977 Ca 0.13 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hmj h ASP 977 Cb 0.12 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3hmj h ASP 977 CO -0.15 0.07 0.66 -0.33 -1.72 0.00 0.00 179.24 177.76 3hmj h GLU 978 N 0.12 1.29 0.14 3.56 5.08 -1.82 -2.02 114.58 120.92 3hmj h GLU 978 Ca 0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hmj h GLU 978 Cb -0.01 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.96 3hmj h GLU 978 CO -0.02 0.85 -0.07 0.00 -1.00 0.00 0.00 179.01 178.78 3hmj h ALA 979 N 1.39 -0.19 -0.51 3.43 0.00 -0.68 -2.46 119.26 120.24 3hmj h ALA 979 Ca 0.37 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hmj h ALA 979 Cb -0.13 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 3hmj h ALA 979 CO -0.09 -0.51 -0.02 0.82 0.00 0.00 0.00 179.25 179.46 3hmj h ILE 980 N -0.38 0.58 0.00 0.00 2.04 -0.90 -1.45 117.51 117.40 3hmj h ILE 980 Ca -0.02 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3hmj h ILE 980 Cb 0.31 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3hmj h ILE 980 CO 0.03 0.02 -0.19 -0.33 0.00 0.00 0.00 178.15 177.68 3hmj h GLU 981 N 0.10 0.00 -0.09 2.37 4.39 -1.29 -2.07 114.58 117.99 3hmj h GLU 981 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3hmj h GLU 981 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3hmj h GLU 981 CO -0.44 0.19 0.00 -0.22 -1.16 0.00 0.00 179.01 177.38 3hmj h LYS 982 N 0.00 0.16 0.84 2.33 3.64 -0.79 -1.49 116.57 121.26 3hmj h LYS 982 Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3hmj h LYS 982 Cb 0.36 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3hmj h LYS 982 CO 0.03 0.42 -0.40 0.28 -2.27 0.00 0.00 179.45 177.50 3hmj h VAL 983 N -0.11 0.12 0.00 2.00 2.07 -1.12 -3.10 116.25 116.11 3hmj h VAL 983 Ca 0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3hmj h VAL 983 Cb 0.34 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3hmj h VAL 983 CO 0.00 0.01 -0.16 -0.26 0.02 0.00 0.00 177.57 177.18 3hmj h PHE 984 N -1.20 0.00 -0.53 1.57 -1.00 -1.46 -1.76 116.94 112.55 3hmj h PHE 984 Ca -0.11 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.69 3hmj h PHE 984 Cb 0.87 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.40 3hmj h PHE 984 CO -0.01 0.16 0.32 -0.91 -1.61 0.00 0.00 178.31 176.27 3hmj h ASN 985 N 0.00 0.52 0.38 2.17 2.35 -1.27 -1.77 115.58 117.96 3hmj h ASN 985 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3hmj h ASN 985 Cb 0.51 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3hmj h ASN 985 CO 0.02 0.37 -0.46 0.00 -1.65 0.00 0.00 177.43 175.71 3hmj h ALA 986 N 1.23 1.16 -2.13 -0.83 0.00 -1.26 -3.32 119.26 114.11 3hmj h ALA 986 Ca 0.21 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 54.13 3hmj h ALA 986 Cb 0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.31 3hmj h ALA 986 CO -0.09 0.60 -0.86 0.66 0.00 0.00 0.00 179.25 179.56 3hmj n TYR 987 N -3.99 2.03 0.24 0.00 4.01 -0.97 -4.94 117.16 113.55 3hmj n TYR 987 Ca -0.02 -3.90 0.07 0.00 -0.16 0.00 0.00 57.90 53.90 3hmj n TYR 987 Cb 0.50 -0.46 0.61 0.00 -0.31 0.00 0.00 39.34 39.68 3hmj n TYR 987 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hmj h PRO 988 N 3.59 0.04 -0.44 -0.72 0.11 -1.44 -0.36 132.00 132.77 3hmj h PRO 988 Ca 0.13 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.37 3hmj h PRO 988 Cb 0.74 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3hmj h PRO 988 CO 0.67 0.04 0.34 0.00 -0.21 0.00 0.00 178.00 178.84 3hmj h ALA 989 N 1.97 2.35 0.00 -0.75 0.00 -1.92 -1.90 119.26 119.00 3hmj h ALA 989 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hmj h ALA 989 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hmj h ALA 989 CO 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.68 3hmj n ALA 990 N -2.57 1.77 0.25 0.00 0.00 -0.15 -1.65 120.51 118.17 3hmj n ALA 990 Ca 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3hmj n ALA 990 Cb 0.54 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.83 3hmj n ALA 990 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj h ARG 991 N 0.00 0.00 0.00 0.00 3.08 -1.55 -3.06 114.38 112.85 3hmj h ARG 991 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hmj h ARG 991 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hmj h ARG 991 CO 0.00 0.00 -1.65 0.39 -1.07 0.00 0.00 179.97 177.64 3hmj n GLU 992 N -2.64 0.46 -3.88 0.04 -0.58 -0.66 -4.81 120.64 108.58 3hmj n GLU 992 Ca 0.02 -0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.27 3hmj n GLU 992 Cb 0.52 -1.34 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 3hmj n GLU 992 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hmj s GLN 993 N -3.00 3.45 0.85 3.49 0.74 -1.11 -5.04 119.66 119.03 3hmj s GLN 993 Ca -0.05 -0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.09 3hmj s GLN 993 Cb 0.09 -3.17 0.10 0.00 1.10 0.00 0.00 33.01 31.14 3hmj s GLN 993 CO 0.60 0.75 1.10 -0.06 -0.55 0.00 0.00 175.29 177.14 3hmj s PHE 994 N -1.10 2.26 0.13 1.67 0.08 -1.26 -3.64 117.98 116.12 3hmj s PHE 994 Ca 0.18 1.53 -0.32 0.00 0.12 0.00 0.00 56.93 58.44 3hmj s PHE 994 Cb -0.12 -3.14 -0.11 0.00 -0.57 0.00 0.00 43.02 39.08 3hmj s PHE 994 CO 0.08 -2.23 1.79 -0.11 -0.10 0.00 0.00 175.22 174.64 3hmj n LEU 995 N -3.81 3.87 -4.64 -0.37 7.94 -0.52 -4.80 117.00 114.67 3hmj n LEU 995 Ca 0.09 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 3hmj n LEU 995 Cb 0.53 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.97 3hmj n LEU 995 CO 0.53 0.10 0.69 -3.20 -1.11 0.00 0.00 177.39 174.40 3hmj n ASN 996 N 5.10 1.74 -0.12 1.96 2.85 -1.26 -4.83 115.26 120.69 3hmj n ASN 996 Ca 0.18 1.10 0.10 0.00 -0.11 0.00 0.00 54.58 55.84 3hmj n ASN 996 Cb 0.35 -1.39 0.44 0.00 1.24 0.00 0.00 39.78 40.42 3hmj n ASN 996 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hmj h ALA 997 N 1.87 1.89 0.00 5.20 0.00 -1.97 -0.73 119.26 125.51 3hmj h ALA 997 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3hmj h ALA 997 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hmj h ALA 997 CO 0.59 -0.02 -0.30 0.37 0.00 0.00 0.00 179.25 179.89 3hmj h GLN 998 N 0.55 0.00 0.00 0.00 4.15 -2.01 -3.03 115.11 114.77 3hmj h GLN 998 Ca 0.30 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 3hmj h GLN 998 Cb 0.44 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3hmj h GLN 998 CO -0.09 0.30 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.29 3hmj h ASP 999 N 0.00 0.00 -0.34 -0.69 3.32 -1.49 -2.94 116.42 114.28 3hmj h ASP 999 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3hmj h ASP 999 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3hmj h ASP 999 CO 0.04 0.28 0.13 0.40 -1.72 0.00 0.00 179.24 178.37 3hmj h ILE 1000N 0.00 1.19 -0.37 0.35 1.08 -1.34 0.13 117.51 118.55 3hmj h ILE 1000Ca -0.01 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 3hmj h ILE 1000Cb 1.22 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 3hmj h ILE 1000CO 0.04 0.21 0.09 0.44 -0.69 0.00 0.00 178.15 178.23 3hmj h ASP 1001N 0.40 0.05 0.43 1.72 5.19 -1.60 -1.90 116.42 120.72 3hmj h ASP 1001Ca 0.11 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3hmj h ASP 1001Cb 0.20 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 3hmj h ASP 1001CO -0.01 0.07 -0.46 -0.74 -3.12 0.00 0.00 179.24 174.98 3hmj h HIS 1002N 0.22 -1.28 -0.66 4.55 2.76 -1.27 -0.83 115.15 118.65 3hmj h HIS 1002Ca 0.17 0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.48 3hmj h HIS 1002Cb 0.18 0.50 -0.13 0.00 1.55 0.00 0.00 27.41 29.52 3hmj h HIS 1002CO -0.17 -0.60 -0.27 0.35 -1.30 0.00 0.00 177.93 175.93 3hmj h PHE 1003N -0.90 -0.69 0.00 5.26 3.57 -0.85 0.26 116.94 123.60 3hmj h PHE 1003Ca -0.05 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hmj h PHE 1003Cb 0.78 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3hmj h PHE 1003CO -0.25 -0.35 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.38 3hmj h LEU 1004N -0.09 0.00 0.03 0.59 3.38 -1.13 -2.24 115.31 115.85 3hmj h LEU 1004Ca 0.29 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.99 3hmj h LEU 1004Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hmj h LEU 1004CO -0.71 0.03 -1.15 -1.28 0.09 0.00 0.00 178.44 175.41 3hmj h SER 1005N 0.00 0.50 -0.04 -0.43 0.87 0.98 -3.22 113.55 112.20 3hmj h SER 1005Ca -0.00 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 3hmj h SER 1005Cb 0.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3hmj h SER 1005CO 0.00 1.34 -0.28 0.24 -0.53 0.00 0.00 176.83 177.60 3hmj h MET 1006N 0.14 0.48 0.00 2.24 2.86 -0.74 -2.14 114.93 117.76 3hmj h MET 1006Ca -0.12 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3hmj h MET 1006Cb 1.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.48 3hmj h MET 1006CO 0.20 0.71 0.00 0.00 1.06 0.00 0.00 176.91 178.88 3hmj n GLN 1008N -2.63 1.78 -1.67 0.00 1.13 -0.82 -4.68 117.38 110.49 3hmj n GLN 1008Ca -0.02 -0.47 -0.48 0.00 -1.94 0.00 0.00 57.00 54.09 3hmj n GLN 1008Cb 0.07 -1.26 -0.05 0.00 0.11 0.00 0.00 30.24 29.12 3hmj n GLN 1008CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3hmj n ASN 1009N -0.65 3.41 -3.80 1.08 5.15 -0.83 -5.00 115.26 114.62 3hmj n ASN 1009Ca 0.05 0.91 -0.30 0.00 -0.60 0.00 0.00 54.58 54.64 3hmj n ASN 1009Cb 0.30 -1.38 0.23 0.00 -0.53 0.00 0.00 39.78 38.40 3hmj n ASN 1009CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3hmj s PRO 1010N 4.31 -0.73 -1.24 1.20 0.02 -1.26 -3.88 135.00 133.41 3hmj s PRO 1010Ca 0.94 -0.29 0.00 0.00 0.02 0.00 0.00 61.00 61.67 3hmj s PRO 1010Cb -0.68 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.17 3hmj s PRO 1010CO 0.51 -3.35 0.00 -1.33 -0.33 0.00 0.00 177.00 172.50 3hmj n MET 1011N -4.45 -1.11 -3.68 5.54 2.81 -1.26 -4.99 117.12 109.99 3hmj n MET 1011Ca 0.15 0.73 -0.10 0.00 -1.81 0.00 0.00 57.70 56.66 3hmj n MET 1011Cb 0.60 -4.98 -0.09 0.00 -0.71 0.00 0.00 33.22 28.03 3hmj n MET 1011CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3hmj s GLN 1012N -4.50 0.57 0.16 0.03 -0.21 -1.25 -4.98 119.66 109.48 3hmj s GLN 1012Ca 0.00 0.91 -0.31 0.00 0.02 0.00 0.00 55.36 55.97 3hmj s GLN 1012Cb 0.00 0.14 -0.11 0.00 1.00 0.00 0.00 33.01 34.04 3hmj s GLN 1012CO 0.00 -0.13 1.80 0.21 -2.12 0.00 0.00 175.29 175.05 3hmj s LYS 1013N 1.09 4.13 -0.20 2.91 2.20 -1.26 -4.79 119.74 123.82 3hmj s LYS 1013Ca -0.06 2.62 -0.42 0.00 -0.36 0.00 0.00 55.97 57.74 3hmj s LYS 1013Cb -0.06 -3.37 -0.19 0.00 -1.51 0.00 0.00 37.83 32.70 3hmj s LYS 1013CO -0.10 -0.81 1.36 -2.30 -0.36 0.00 0.00 175.35 173.14 3hmj n PRO 1014N 4.97 0.26 -1.67 4.03 -0.02 -1.26 -4.82 135.00 136.49 3hmj n PRO 1014Ca 0.17 0.09 -0.44 0.00 -2.02 0.00 0.00 63.50 61.31 3hmj n PRO 1014Cb 0.37 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 3hmj n PRO 1014CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hmj n VAL 1015N 2.84 1.65 0.23 -1.45 0.31 -1.26 -4.87 118.33 115.78 3hmj n VAL 1015Ca 0.24 -0.41 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 3hmj n VAL 1015Cb 0.05 -1.43 0.01 0.00 -0.91 0.00 0.00 33.84 31.56 3hmj n VAL 1015CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3hmj n PRO 1016N 1.06 1.06 -2.83 5.55 -0.05 -1.26 -4.86 135.00 133.67 3hmj n PRO 1016Ca 0.08 -0.13 -0.05 0.00 -0.05 0.00 0.00 63.50 63.34 3hmj n PRO 1016Cb 0.34 -1.05 0.02 0.00 -0.05 0.00 0.00 33.50 32.75 3hmj n PRO 1016CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 3hmj n PHE 1017N 0.88 -1.80 -3.86 0.54 1.16 -1.26 -4.14 117.46 108.99 3hmj n PHE 1017Ca 0.03 -1.16 -0.36 0.00 -1.87 0.00 0.00 57.45 54.09 3hmj n PHE 1017Cb 0.53 0.58 -0.13 0.00 -1.61 0.00 0.00 39.48 38.85 3hmj n PHE 1017CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3hmj s VAL 1018N -2.39 3.15 -0.79 1.97 1.01 -0.54 -4.93 120.40 117.88 3hmj s VAL 1018Ca 0.11 -1.56 0.26 0.00 0.00 0.00 0.00 61.98 60.80 3hmj s VAL 1018Cb -0.03 -2.92 0.22 0.00 0.00 0.00 0.00 36.38 33.66 3hmj s VAL 1018CO 0.07 -0.28 1.72 -0.81 0.00 0.00 0.00 175.10 175.80 3hmj n PRO 1019N 4.63 0.19 -3.65 2.72 -0.05 -1.26 -1.29 135.00 136.29 3hmj n PRO 1019Ca -0.10 0.13 -0.07 0.00 -0.05 0.00 0.00 63.50 63.42 3hmj n PRO 1019Cb 0.43 -1.70 -0.07 0.00 -0.05 0.00 0.00 33.50 32.10 3hmj n PRO 1019CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3hmj s VAL 1020N -3.08 -0.19 -0.60 0.52 1.01 -1.26 -4.71 120.40 112.08 3hmj s VAL 1020Ca 0.11 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 3hmj s VAL 1020Cb 0.14 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.66 3hmj s VAL 1020CO 0.61 0.01 1.04 -0.76 0.00 0.00 0.00 175.10 176.00 3hmj s LEU 1021N 1.84 3.89 0.00 3.92 2.01 -1.26 -4.77 118.68 124.31 3hmj s LEU 1021Ca -0.09 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 53.66 3hmj s LEU 1021Cb -0.07 -2.78 0.00 0.00 0.01 0.00 0.00 46.19 43.35 3hmj s LEU 1021CO -0.18 -1.41 0.00 -0.90 1.01 0.00 0.00 176.35 174.87 3hmj n ASP 1022N 7.98 0.00 -0.17 2.29 5.75 -1.26 -5.02 116.55 126.12 3hmj n ASP 1022Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.71 3hmj n ASP 1022Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3hmj n ASP 1022CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3hmj h ARG 1023N 0.00 0.79 -0.99 0.11 3.08 -1.98 -2.75 114.38 112.64 3hmj h ARG 1023Ca 0.00 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 3hmj h ARG 1023Cb 0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 29.87 3hmj h ARG 1023CO 0.00 0.78 0.17 0.54 -1.07 0.00 0.00 179.97 180.38 3hmj n ARG 1024N -4.45 1.42 0.26 0.04 3.00 -1.26 -4.25 116.66 111.41 3hmj n ARG 1024Ca 0.01 -0.84 0.13 0.00 -0.01 0.00 0.00 57.85 57.14 3hmj n ARG 1024Cb 0.23 -1.37 0.67 0.00 0.00 0.00 0.00 32.46 32.00 3hmj n ARG 1024CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3hmj h PHE 1025N 0.36 0.00 -0.19 -1.55 3.57 -1.79 -1.40 116.94 115.95 3hmj h PHE 1025Ca 0.16 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3hmj h PHE 1025Cb 1.47 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.21 3hmj h PHE 1025CO 0.43 0.13 -0.61 1.49 -2.23 0.00 0.00 178.31 177.52 3hmj h GLU 1026N 0.00 0.75 0.00 1.11 4.81 -1.86 -2.40 114.58 116.98 3hmj h GLU 1026Ca -0.00 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3hmj h GLU 1026Cb 0.46 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3hmj h GLU 1026CO 0.02 1.17 -0.16 0.82 -0.73 0.00 0.00 179.01 180.13 3hmj h ILE 1027N 0.47 0.88 0.00 2.32 2.04 -1.78 -1.47 117.51 119.97 3hmj h ILE 1027Ca -0.02 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 3hmj h ILE 1027Cb 1.24 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3hmj h ILE 1027CO 0.13 0.15 -0.54 -0.26 0.00 0.00 0.00 178.15 177.64 3hmj h PHE 1028N 0.00 0.00 0.00 1.37 -1.00 -1.17 -3.01 116.94 113.13 3hmj h PHE 1028Ca -0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 3hmj h PHE 1028Cb 0.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 3hmj h PHE 1028CO 0.00 0.54 -0.79 0.35 -1.61 0.00 0.00 178.31 176.79 3hmj h PHE 1029N 0.00 0.00 -0.01 -0.55 3.57 -0.99 -3.39 116.94 115.57 3hmj h PHE 1029Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hmj h PHE 1029Cb 1.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3hmj h PHE 1029CO 0.00 1.19 -0.38 1.63 -2.23 0.00 0.00 178.31 178.52 3hmj n LYS 1030N -4.51 0.93 -2.03 1.11 5.02 -0.59 -4.95 118.16 113.14 3hmj n LYS 1030Ca -0.23 -0.67 -0.39 0.00 -2.02 0.00 0.00 58.31 55.00 3hmj n LYS 1030Cb 0.57 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3hmj n LYS 1030CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3hmj s LYS 1031N -2.53 3.94 -0.59 1.97 2.20 -1.14 -4.08 119.74 119.52 3hmj s LYS 1031Ca 0.21 2.18 -0.06 0.00 -0.36 0.00 0.00 55.97 57.94 3hmj s LYS 1031Cb 0.19 -2.75 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 3hmj s LYS 1031CO 0.56 -0.52 0.47 -3.47 -0.36 0.00 0.00 175.35 172.04 3hmj n ASP 1032N 0.10 -3.80 -2.51 1.43 2.03 -1.26 -4.87 116.55 107.68 3hmj n ASP 1032Ca 0.04 -0.65 -0.08 0.00 0.52 0.00 0.00 54.79 54.62 3hmj n ASP 1032Cb 0.43 -1.23 0.04 0.00 -0.72 0.00 0.00 41.12 39.64 3hmj n ASP 1032CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3hmj n SER 1033N -1.56 2.68 -0.00 1.67 3.41 -1.26 -4.77 113.62 113.79 3hmj n SER 1033Ca -0.22 -2.62 0.03 0.00 -0.26 0.00 0.00 58.87 55.80 3hmj n SER 1033Cb 0.54 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 3hmj n SER 1033CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hmj n LEU 1034N -0.62 0.01 -0.07 1.04 4.77 -1.26 -4.52 117.00 116.36 3hmj n LEU 1034Ca 0.19 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 3hmj n LEU 1034Cb 0.86 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.46 3hmj n LEU 1034CO 0.18 0.00 0.78 -2.67 -1.33 0.00 0.00 177.39 174.35 3hmj n TRP 1035N -1.72 0.00 0.12 -1.77 4.27 -1.26 -3.80 117.44 113.29 3hmj n TRP 1035Ca -0.01 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.59 3hmj n TRP 1035Cb 0.18 -0.27 0.08 0.00 -1.36 0.00 0.00 31.31 29.94 3hmj n TRP 1035CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 3hmj h GLN 1036N 0.33 0.00 -0.93 -2.67 7.50 -1.88 -3.01 115.11 114.45 3hmj h GLN 1036Ca 0.00 0.00 0.27 0.00 0.50 0.00 0.00 58.65 59.42 3hmj h GLN 1036Cb 0.43 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.93 3hmj h GLN 1036CO 0.00 0.66 0.68 0.77 -1.50 0.00 0.00 178.83 179.44 3hmj h SER 1037N 0.00 0.00 -0.10 1.46 0.02 -1.77 -1.88 113.55 111.28 3hmj h SER 1037Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hmj h SER 1037Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3hmj h SER 1037CO 0.09 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.16 3hmj n GLU 1038N -4.23 1.20 -2.77 3.45 1.02 -1.14 -1.69 120.64 116.48 3hmj n GLU 1038Ca 0.19 -1.42 -0.10 0.00 -0.02 0.00 0.00 57.16 55.81 3hmj n GLU 1038Cb 1.01 -1.24 0.06 0.00 -0.02 0.00 0.00 31.44 31.24 3hmj n GLU 1038CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hmj n HIS 1039N 0.64 -0.77 0.24 -0.32 8.25 -0.72 -4.62 115.22 117.92 3hmj n HIS 1039Ca 0.08 -2.57 0.02 0.00 -0.26 0.00 0.00 57.72 54.99 3hmj n HIS 1039Cb 0.33 0.55 0.12 0.00 1.12 0.00 0.00 29.99 32.12 3hmj n HIS 1039CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hmj n LEU 1040N -0.12 0.00 0.17 2.41 4.32 -1.16 -1.11 117.00 121.51 3hmj n LEU 1040Ca 0.07 0.23 0.13 0.00 -0.02 0.00 0.00 56.01 56.43 3hmj n LEU 1040Cb 0.79 -0.23 0.57 0.00 -1.62 0.00 0.00 43.42 42.92 3hmj n LEU 1040CO 0.11 -0.20 0.90 1.05 -1.22 0.00 0.00 177.39 178.03 3hmj h GLU 1041N 0.00 0.00 -0.02 3.23 9.09 -1.92 -2.25 114.58 122.71 3hmj h GLU 1041Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hmj h GLU 1041Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3hmj h GLU 1041CO 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 179.01 178.96 3hmj n ALA 1042N -1.86 2.68 -2.22 1.06 0.00 -0.27 -4.89 120.51 115.00 3hmj n ALA 1042Ca 0.01 -0.58 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 3hmj n ALA 1042Cb 0.23 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 3hmj n ALA 1042CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hmj s VAL 1043N -1.41 4.74 0.04 0.00 1.01 -0.85 -4.95 120.40 118.98 3hmj s VAL 1043Ca 0.16 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 3hmj s VAL 1043Cb 0.12 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3hmj s VAL 1043CO 0.24 -0.01 0.39 0.52 0.00 0.00 0.00 175.10 176.24 3hmj n VAL 1044N 0.09 -0.17 -2.71 2.92 0.31 -1.26 -0.84 118.33 116.66 3hmj n VAL 1044Ca 0.00 0.61 -0.06 0.00 -0.01 0.00 0.00 64.34 64.88 3hmj n VAL 1044Cb 0.52 -0.76 0.05 0.00 -0.91 0.00 0.00 33.84 32.75 3hmj n VAL 1044CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hmj n ASP 1045N -4.32 0.92 -1.98 4.52 5.68 -1.26 -4.96 116.55 115.15 3hmj n ASP 1045Ca 0.01 -2.47 -0.20 0.00 -0.50 0.00 0.00 54.79 51.62 3hmj n ASP 1045Cb 0.07 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 3hmj n ASP 1045CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hmj n GLN 1046N -0.35 -1.54 -2.61 0.11 3.00 -0.02 -4.89 117.38 111.08 3hmj n GLN 1046Ca 0.06 1.10 -0.42 0.00 -0.01 0.00 0.00 57.00 57.73 3hmj n GLN 1046Cb 0.82 -5.61 -0.03 0.00 0.00 0.00 0.00 30.24 25.42 3hmj n GLN 1046CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hmj s ASP 1047N -2.41 6.34 0.52 1.08 -1.08 -1.26 -4.85 116.67 115.00 3hmj s ASP 1047Ca 0.00 -0.15 0.21 0.00 -0.52 0.00 0.00 52.55 52.08 3hmj s ASP 1047Cb 0.00 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.24 3hmj s ASP 1047CO 0.00 -1.57 2.05 0.58 0.52 0.00 0.00 175.17 176.75 3hmj h VAL 1048N 6.10 0.85 0.00 1.11 2.07 -1.93 -1.72 116.25 122.72 3hmj h VAL 1048Ca -0.26 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hmj h VAL 1048Cb 1.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hmj h VAL 1048CO 1.21 0.01 0.00 1.67 0.02 0.00 0.00 177.57 180.47 3hmj n GLN 1049N -4.44 0.04 -0.02 1.57 -0.06 -1.26 -0.43 117.38 112.78 3hmj n GLN 1049Ca 0.05 0.31 0.13 0.00 -2.00 0.00 0.00 57.00 55.49 3hmj n GLN 1049Cb 0.40 -1.50 0.33 0.00 -4.06 0.00 0.00 30.24 25.41 3hmj n GLN 1049CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3hmj n ARG 1050N -1.41 1.98 -4.94 3.69 1.74 -0.65 -0.46 116.66 116.62 3hmj n ARG 1050Ca 0.02 -1.43 -0.31 0.00 -0.77 0.00 0.00 57.85 55.37 3hmj n ARG 1050Cb 0.07 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 3hmj n ARG 1050CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hmj s THR 1051N -1.94 2.46 -0.38 0.55 2.01 0.43 -1.99 115.64 116.79 3hmj s THR 1051Ca 0.34 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 3hmj s THR 1051Cb 0.20 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.76 3hmj s THR 1051CO 0.31 0.45 1.49 0.00 -0.69 0.00 0.00 174.62 176.19 3hmj s ILE 1053N 5.63 2.18 0.16 0.00 1.01 -1.26 -4.39 121.20 124.52 3hmj s ILE 1053Ca 0.65 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 3hmj s ILE 1053Cb -0.16 -1.91 -0.08 0.00 0.01 0.00 0.00 42.46 40.32 3hmj s ILE 1053CO 0.32 0.53 0.73 -0.76 0.00 0.00 0.00 174.94 175.77 3hmj s LEU 1054N 1.22 4.55 -0.14 2.97 1.02 -1.26 0.38 118.68 127.42 3hmj s LEU 1054Ca 0.03 1.55 -0.30 0.00 0.02 0.00 0.00 54.13 55.43 3hmj s LEU 1054Cb -0.14 -3.26 0.13 0.00 0.02 0.00 0.00 46.19 42.94 3hmj s LEU 1054CO -0.10 0.20 1.00 -2.28 0.02 0.00 0.00 176.35 175.19 3hmj s HIS 1055N -1.19 -0.33 0.05 0.29 2.46 -1.03 -4.78 115.29 110.75 3hmj s HIS 1055Ca 0.35 0.49 -0.07 0.00 0.47 0.00 0.00 55.06 56.31 3hmj s HIS 1055Cb -0.22 0.47 -0.05 0.00 -0.13 0.00 0.00 32.58 32.66 3hmj s HIS 1055CO 0.24 -0.36 0.31 0.20 -2.47 0.00 0.00 174.74 172.66 3hmj s GLY 1056N -1.45 2.27 0.21 1.59 0.00 -1.26 -4.26 107.32 104.41 3hmj s GLY 1056Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 3hmj s GLY 1056CO -0.01 -0.38 1.57 -2.55 0.00 0.00 0.00 173.10 171.73 3hmj h PRO 1057N 3.69 0.59 0.18 2.90 0.11 -1.80 -2.62 132.00 135.05 3hmj h PRO 1057Ca -0.49 -0.31 -0.27 0.00 0.11 0.00 0.00 66.00 65.04 3hmj h PRO 1057Cb 1.19 0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.33 3hmj h PRO 1057CO 0.68 0.91 -1.24 0.28 -0.21 0.00 0.00 178.00 178.42 3hmj h VAL 1058N 0.49 1.28 0.00 3.15 2.07 -1.71 -1.72 116.25 119.80 3hmj h VAL 1058Ca 0.04 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3hmj h VAL 1058Cb 0.94 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 3hmj h VAL 1058CO 0.08 0.76 0.00 0.00 0.02 0.00 0.00 177.57 178.43 3hmj n ALA 1059N -2.77 1.80 0.16 1.67 0.00 -1.24 -3.26 120.51 116.87 3hmj n ALA 1059Ca -0.18 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.21 3hmj n ALA 1059Cb 0.95 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 19.40 3hmj n ALA 1059CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj h ALA 1060N 2.66 1.01 -0.01 0.00 0.00 -1.48 -2.75 119.26 118.68 3hmj h ALA 1060Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 3hmj h ALA 1060Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hmj h ALA 1060CO 0.00 0.65 -0.79 -0.56 0.00 0.00 0.00 179.25 178.55 3hmj h GLN 1061N 0.00 0.13 -0.00 0.00 3.07 -1.74 -2.82 115.11 113.75 3hmj h GLN 1061Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.61 3hmj h GLN 1061Cb 1.00 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.59 3hmj h GLN 1061CO 0.07 0.85 -0.24 1.19 0.09 0.00 0.00 178.83 180.79 3hmj n PHE 1062N -3.68 0.00 -3.16 0.06 3.01 -1.11 -4.67 117.46 107.90 3hmj n PHE 1062Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 3hmj n PHE 1062Cb 0.75 -0.35 -0.05 0.00 -0.01 0.00 0.00 39.48 39.82 3hmj n PHE 1062CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3hmj s THR 1063N -2.93 4.90 0.07 4.37 2.01 -1.05 -4.74 115.64 118.26 3hmj s THR 1063Ca 0.15 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3hmj s THR 1063Cb 0.18 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.29 3hmj s THR 1063CO 0.60 -0.98 0.00 0.29 -0.69 0.00 0.00 174.62 173.84 3hmj n LYS 1064N 6.10 0.00 -2.31 4.92 5.02 -1.26 -4.44 118.16 126.19 3hmj n LYS 1064Ca -0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 3hmj n LYS 1064Cb 0.43 -0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 3hmj n LYS 1064CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hmj s VAL 1065N -2.00 3.56 0.53 -0.18 1.01 -1.26 -4.86 120.40 117.20 3hmj s VAL 1065Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 3hmj s VAL 1065Cb 0.00 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3hmj s VAL 1065CO 0.00 -1.42 1.26 -0.51 0.00 0.00 0.00 175.10 174.44 3hmj s ILE 1066N 7.33 2.51 -0.91 2.22 2.07 -1.26 -3.59 121.20 129.57 3hmj s ILE 1066Ca 0.51 0.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.12 3hmj s ILE 1066Cb -0.09 -3.18 0.00 0.00 0.13 0.00 0.00 42.46 39.32 3hmj s ILE 1066CO 0.15 -0.02 0.00 0.47 -1.91 0.00 0.00 174.94 173.63 3hmj n ASP 1067N -1.01 -3.22 -4.69 4.50 8.00 -1.04 -4.92 116.55 114.17 3hmj n ASP 1067Ca 0.10 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 3hmj n ASP 1067Cb 0.47 -2.83 -0.03 0.00 -0.02 0.00 0.00 41.12 38.71 3hmj n ASP 1067CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hmj s GLU 1068N -4.56 4.40 0.13 -1.24 2.12 -1.24 -3.77 118.70 114.53 3hmj s GLU 1068Ca 0.00 1.46 -0.35 0.00 0.36 0.00 0.00 54.97 56.44 3hmj s GLU 1068Cb 0.00 -3.55 -0.16 0.00 0.26 0.00 0.00 34.13 30.67 3hmj s GLU 1068CO 0.00 -0.36 1.20 -2.30 -0.54 0.00 0.00 175.26 173.25 3hmj n PRO 1069N 5.12 1.02 -0.08 4.30 -0.02 -1.26 -1.83 135.00 142.26 3hmj n PRO 1069Ca 0.09 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 3hmj n PRO 1069Cb 0.48 -1.90 0.35 0.00 -0.02 0.00 0.00 33.50 32.41 3hmj n PRO 1069CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3hmj h ILE 1070N 2.88 1.14 -0.63 4.25 -0.00 -1.93 0.13 117.51 123.36 3hmj h ILE 1070Ca -0.45 -0.30 0.10 0.00 -0.00 0.00 0.00 64.86 64.22 3hmj h ILE 1070Cb 1.35 0.39 -0.04 0.00 -0.00 0.00 0.00 36.82 38.52 3hmj h ILE 1070CO 0.72 0.15 0.42 0.50 -0.00 0.00 0.00 178.15 179.93 3hmj h LYS 1071N 0.72 0.41 -0.07 2.19 1.63 -1.89 -1.85 116.57 117.71 3hmj h LYS 1071Ca 0.19 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 3hmj h LYS 1071Cb -0.05 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 3hmj h LYS 1071CO -0.04 0.27 -0.14 1.03 -3.45 0.00 0.00 179.45 177.13 3hmj h SER 1072N 0.42 0.24 -0.22 4.20 0.87 -1.08 -1.97 113.55 116.00 3hmj h SER 1072Ca 0.29 -0.56 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3hmj h SER 1072Cb 0.58 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3hmj h SER 1072CO -0.08 0.76 0.12 0.40 -0.53 0.00 0.00 176.83 177.49 3hmj h ILE 1073N -0.27 1.01 0.18 2.23 2.04 -1.10 0.75 117.51 122.34 3hmj h ILE 1073Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3hmj h ILE 1073Cb 0.72 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3hmj h ILE 1073CO 0.03 0.05 -0.08 0.24 0.00 0.00 0.00 178.15 178.38 3hmj h MET 1074N 0.25 -0.23 -0.57 2.37 2.86 -1.47 -2.72 114.93 115.42 3hmj h MET 1074Ca 0.09 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3hmj h MET 1074Cb 0.01 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 3hmj h MET 1074CO -0.05 0.07 0.27 -0.44 1.06 0.00 0.00 176.91 177.81 3hmj h ASP 1075N -0.53 0.36 -0.93 1.22 3.32 -1.25 -1.19 116.42 117.42 3hmj h ASP 1075Ca -0.02 0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.30 3hmj h ASP 1075Cb 0.40 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.81 3hmj h ASP 1075CO 0.04 0.23 0.45 1.23 -1.72 0.00 0.00 179.24 179.47 3hmj h GLY 1076N 0.50 1.65 0.41 2.75 0.00 0.58 0.52 103.07 109.47 3hmj h GLY 1076Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hmj h GLY 1076CO -0.21 -0.28 -0.03 -2.22 0.00 0.00 0.00 176.54 173.81 3hmj h ILE 1077N 0.43 1.27 -0.34 2.60 2.04 -0.94 -2.40 117.51 120.17 3hmj h ILE 1077Ca 0.59 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3hmj h ILE 1077Cb 1.13 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3hmj h ILE 1077CO -0.52 0.31 0.13 -0.74 0.00 0.00 0.00 178.15 177.33 3hmj h HIS 1078N -0.67 0.52 -0.64 1.37 2.76 -0.49 -1.59 115.15 116.42 3hmj h HIS 1078Ca -0.01 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3hmj h HIS 1078Cb 0.57 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 3hmj h HIS 1078CO 0.11 0.49 0.41 -0.44 -1.30 0.00 0.00 177.93 177.20 3hmj h ASP 1079N 0.40 0.68 0.05 3.26 3.32 -0.11 -1.40 116.42 122.62 3hmj h ASP 1079Ca 0.11 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3hmj h ASP 1079Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hmj h ASP 1079CO -0.01 0.48 -0.22 1.23 -1.72 0.00 0.00 179.24 179.00 3hmj h GLY 1080N 0.81 0.32 1.94 2.75 0.00 -1.18 -2.24 103.07 105.48 3hmj h GLY 1080Ca 0.25 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3hmj h GLY 1080CO -0.08 0.22 -0.55 0.45 0.00 0.00 0.00 176.54 176.58 3hmj h HIS 1081N 0.27 0.07 -0.07 5.60 3.86 -0.79 -2.97 115.15 121.13 3hmj h HIS 1081Ca 0.05 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 3hmj h HIS 1081Cb 0.55 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3hmj h HIS 1081CO 0.01 0.59 -0.76 0.97 0.86 0.00 0.00 177.93 179.60 3hmj h ILE 1082N 0.05 1.38 0.25 2.45 2.10 -0.69 -1.82 117.51 121.23 3hmj h ILE 1082Ca -0.00 -2.19 -0.01 0.00 1.08 0.00 0.00 64.86 63.74 3hmj h ILE 1082Cb 0.98 2.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.87 3hmj h ILE 1082CO 0.07 0.66 -0.12 0.11 -1.08 0.00 0.00 178.15 177.79 3hmj h LYS 1083N 0.28 -0.33 -0.95 2.19 1.57 -1.45 -0.87 116.57 117.00 3hmj h LYS 1083Ca -0.04 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 3hmj h LYS 1083Cb 1.35 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.65 3hmj h LYS 1083CO 0.13 0.03 0.60 0.87 -0.57 0.00 0.00 179.45 180.51 3hmj h LYS 1084N -0.78 0.75 -0.06 3.15 1.57 -1.57 0.28 116.57 119.91 3hmj h LYS 1084Ca -0.03 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.46 3hmj h LYS 1084Cb 0.51 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hmj h LYS 1084CO 0.06 0.50 -0.91 1.25 -0.57 0.00 0.00 179.45 179.78 3hmj h LEU 1085N 0.78 0.86 0.55 2.94 5.85 -1.34 -2.27 115.31 122.68 3hmj h LEU 1085Ca 0.49 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3hmj h LEU 1085Cb 0.73 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3hmj h LEU 1085CO -0.26 1.43 -0.28 0.25 -0.34 0.00 0.00 178.44 179.24 3hmj h LEU 1086N 0.43 -0.67 0.01 2.25 5.85 -0.22 -2.33 115.31 120.63 3hmj h LEU 1086Ca -0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hmj h LEU 1086Cb 1.55 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3hmj h LEU 1086CO 0.18 -0.47 -0.14 -0.74 -0.34 0.00 0.00 178.44 176.94 3hmj h HIS 1087N -0.76 -0.40 -0.24 1.25 2.76 -1.03 0.20 115.15 116.94 3hmj h HIS 1087Ca -0.07 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3hmj h HIS 1087Cb 0.59 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 3hmj h HIS 1087CO -0.05 -0.15 -0.39 1.96 -1.30 0.00 0.00 177.93 178.00 3hmj h GLN 1088N -0.18 -0.31 -0.27 5.26 4.20 -1.48 -3.17 115.11 119.16 3hmj h GLN 1088Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hmj h GLN 1088Cb 0.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hmj h GLN 1088CO -0.08 -0.21 0.00 0.66 -0.67 0.00 0.00 178.83 178.53 3hmj n TYR 1089N -4.60 0.52 -0.84 2.96 4.01 -0.88 -4.53 117.16 113.81 3hmj n TYR 1089Ca -0.03 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 3hmj n TYR 1089Cb 0.25 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3hmj n TYR 1089CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hmj n TYR 1090N 0.03 0.00 -3.94 -0.72 4.02 0.65 -5.01 117.16 112.19 3hmj n TYR 1090Ca 0.13 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.73 3hmj n TYR 1090Cb 0.54 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.87 3hmj n TYR 1090CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hmj n GLY 1091N -0.00 -0.39 3.13 2.72 0.00 -0.87 -2.46 105.19 107.31 3hmj n GLY 1091Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hmj n GLY 1091CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hmj n ASP 1092N -2.87 -1.43 -4.46 1.61 8.00 -1.08 -4.87 116.55 111.45 3hmj n ASP 1092Ca -0.09 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.98 3hmj n ASP 1092Cb 0.58 -2.00 -0.05 0.00 -0.02 0.00 0.00 41.12 39.63 3hmj n ASP 1092CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hmj s ASP 1093N -1.36 6.25 0.52 -2.24 2.15 -1.03 -4.92 116.67 116.04 3hmj s ASP 1093Ca 0.00 -0.81 0.35 0.00 0.43 0.00 0.00 52.55 52.52 3hmj s ASP 1093Cb 0.00 -2.34 1.84 0.00 -0.30 0.00 0.00 42.92 42.11 3hmj s ASP 1093CO 0.00 -1.05 2.07 -0.33 -0.17 0.00 0.00 175.17 175.69 3hmj h GLU 1094N 9.15 0.00 0.00 4.34 5.08 -1.89 -0.78 114.58 130.48 3hmj h GLU 1094Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3hmj h GLU 1094Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hmj h GLU 1094CO 1.03 0.00 -0.11 0.77 -1.00 0.00 0.00 179.01 179.71 3hmj h SER 1095N 0.00 0.00 1.47 1.42 0.02 -1.94 -2.48 113.55 112.04 3hmj h SER 1095Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hmj h SER 1095Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hmj h SER 1095CO 0.00 0.11 0.00 0.11 -1.14 0.00 0.00 176.83 175.91 3hmj h LYS 1096N 0.00 0.00 -6.27 3.45 1.57 -1.44 -3.43 116.57 110.44 3hmj h LYS 1096Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 3hmj h LYS 1096Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3hmj h LYS 1096CO 0.01 0.00 1.03 0.42 -0.57 0.00 0.00 179.45 180.34 3hmj s ILE 1097N -3.23 3.95 0.91 1.86 1.01 -0.94 -4.99 121.20 119.76 3hmj s ILE 1097Ca 0.07 1.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.72 3hmj s ILE 1097Cb 0.09 -3.88 0.14 0.00 0.01 0.00 0.00 42.46 38.82 3hmj s ILE 1097CO 0.58 -0.29 1.14 -2.84 0.00 0.00 0.00 174.94 173.53 3hmj s PRO 1098N 4.19 1.08 0.19 2.79 0.02 -1.26 -4.74 135.00 137.26 3hmj s PRO 1098Ca 0.63 1.50 0.03 0.00 0.02 0.00 0.00 61.00 63.19 3hmj s PRO 1098Cb -0.23 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3hmj s PRO 1098CO 0.24 -2.58 -0.03 0.00 -0.33 0.00 0.00 177.00 174.31 3hmj s ALA 1099N -2.67 1.60 0.01 -1.55 0.00 -1.26 -1.61 121.76 116.27 3hmj s ALA 1099Ca 0.66 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 3hmj s ALA 1099Cb -0.22 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3hmj s ALA 1099CO 0.58 -0.23 0.42 0.54 0.00 0.00 0.00 175.76 177.07 3hmj s VAL 1100N -3.46 0.05 0.00 0.00 0.11 0.65 -4.86 120.40 112.89 3hmj s VAL 1100Ca 0.24 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 3hmj s VAL 1100Cb 0.05 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3hmj s VAL 1100CO 0.05 -0.21 0.63 1.21 -3.33 0.00 0.00 175.10 173.45 3hmj n GLU 1101N 0.87 0.00 -4.36 1.54 4.07 -1.25 -2.46 120.64 119.05 3hmj n GLU 1101Ca -0.20 0.62 -0.27 0.00 -0.06 0.00 0.00 57.16 57.25 3hmj n GLU 1101Cb 0.58 -1.13 -0.11 0.00 -0.06 0.00 0.00 31.44 30.72 3hmj n GLU 1101CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 3hmj s TYR 1102N -1.51 2.45 -0.23 4.31 -0.85 -1.26 -0.36 117.35 119.91 3hmj s TYR 1102Ca 0.00 -0.30 -0.07 0.00 -0.52 0.00 0.00 57.07 56.18 3hmj s TYR 1102Cb 0.00 -1.23 -0.03 0.00 0.38 0.00 0.00 41.96 41.08 3hmj s TYR 1102CO 0.00 0.47 0.06 0.12 -1.52 0.00 0.00 175.55 174.68 3hmj s PHE 1103N -1.55 3.11 0.00 -3.49 5.36 -1.26 -4.95 117.98 115.19 3hmj s PHE 1103Ca 0.21 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3hmj s PHE 1103Cb -0.09 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 3hmj s PHE 1103CO 0.11 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 3hmj n GLY 1104N 4.54 2.22 0.00 13.12 0.00 -1.26 -3.84 105.19 119.97 3hmj n GLY 1104Ca -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3hmj n GLY 1104CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLY 1105N -0.75 0.89 3.58 -0.02 0.00 -0.79 -4.75 105.19 103.35 3hmj n GLY 1105Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hmj n GLY 1105CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hmj s GLU 1106N -0.72 3.78 0.10 1.61 2.02 -0.52 -4.95 118.70 120.01 3hmj s GLU 1106Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 3hmj s GLU 1106Cb 0.00 -3.76 -0.06 0.00 0.10 0.00 0.00 34.13 30.41 3hmj s GLU 1106CO 0.00 -0.59 1.07 0.45 0.02 0.00 0.00 175.26 176.21 3hmj s SER 1107N 1.70 7.29 0.46 -0.19 0.15 -1.26 -3.02 113.70 118.83 3hmj s SER 1107Ca 0.22 1.93 0.34 0.00 0.70 0.00 0.00 55.95 59.14 3hmj s SER 1107Cb -0.15 -2.59 1.51 0.00 -1.71 0.00 0.00 66.02 63.08 3hmj s SER 1107CO 0.13 -0.26 1.60 -0.65 1.20 0.00 0.00 173.24 175.25 3hmj h PRO 1108N 5.95 0.03 -6.03 5.44 0.11 -1.86 -3.50 132.00 132.14 3hmj h PRO 1108Ca -0.43 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.02 3hmj h PRO 1108Cb 1.21 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 32.01 3hmj h PRO 1108CO 0.75 0.02 -0.87 0.14 -0.21 0.00 0.00 178.00 177.82 3hmj s VAL 1109N -5.22 1.90 -0.19 3.15 -7.23 -1.26 -4.82 120.40 106.74 3hmj s VAL 1109Ca -0.07 -1.00 0.22 0.00 -1.81 0.00 0.00 61.98 59.32 3hmj s VAL 1109Cb 0.30 -1.60 -0.30 0.00 0.56 0.00 0.00 36.38 35.34 3hmj s VAL 1109CO 0.83 0.53 0.58 0.47 -0.31 0.00 0.00 175.10 177.21 3hmj n ASP 1123N 2.82 0.20 -3.32 4.85 8.00 -1.26 -4.98 116.55 122.86 3hmj n ASP 1123Ca -0.17 -0.12 0.02 0.00 0.71 0.00 0.00 54.79 55.24 3hmj n ASP 1123Cb 0.52 1.74 -0.04 0.00 -0.02 0.00 0.00 41.12 43.32 3hmj n ASP 1123CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hmj s SER 1124N -4.35 -0.40 0.17 -2.24 1.04 -1.26 -0.27 113.70 106.38 3hmj s SER 1124Ca -0.05 0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 3hmj s SER 1124Cb 0.14 1.46 0.00 0.00 0.10 0.00 0.00 66.02 67.72 3hmj s SER 1124CO 0.89 -0.08 0.23 0.00 0.98 0.00 0.00 173.24 175.27 3hmj n ALA 1125N 4.83 -0.18 -3.62 5.32 0.00 -0.90 -5.01 120.51 120.95 3hmj n ALA 1125Ca -0.08 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 3hmj n ALA 1125Cb 0.54 0.61 -0.17 0.00 0.00 0.00 0.00 19.45 20.43 3hmj n ALA 1125CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hmj s VAL 1126N -2.61 -0.14 -0.35 0.00 1.01 -1.26 -1.71 120.40 115.34 3hmj s VAL 1126Ca 0.13 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 3hmj s VAL 1126Cb -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3hmj s VAL 1126CO 0.10 -0.10 0.20 -0.36 0.00 0.00 0.00 175.10 174.94 3hmj s PHE 1127N 2.18 3.22 0.13 5.22 0.08 -0.10 -4.98 117.98 123.73 3hmj s PHE 1127Ca 0.03 -0.69 -0.19 0.00 0.12 0.00 0.00 56.93 56.21 3hmj s PHE 1127Cb -0.14 -2.43 -0.07 0.00 -0.57 0.00 0.00 43.02 39.81 3hmj s PHE 1127CO -0.07 -0.54 0.61 0.15 -0.10 0.00 0.00 175.22 175.27 3hmj s LYS 1128N 1.61 4.18 -0.06 0.44 1.02 -1.26 -1.49 119.74 124.17 3hmj s LYS 1128Ca 0.04 0.73 0.03 0.00 0.02 0.00 0.00 55.97 56.79 3hmj s LYS 1128Cb -0.18 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3hmj s LYS 1128CO 0.07 0.55 -0.15 0.00 -0.92 0.00 0.00 175.35 174.90 3hmj s ALA 1129N -1.28 2.62 0.48 5.17 0.00 -0.88 -5.02 121.76 122.84 3hmj s ALA 1129Ca 0.34 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3hmj s ALA 1129Cb -0.18 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3hmj s ALA 1129CO 0.20 0.49 0.06 0.95 0.00 0.00 0.00 175.76 177.46 3hmj s THR 1130N -0.49 0.85 0.29 0.00 -4.23 -1.26 -2.71 115.64 108.09 3hmj s THR 1130Ca 0.06 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3hmj s THR 1130Cb -0.12 -2.17 0.30 0.00 1.34 0.00 0.00 72.50 71.85 3hmj s THR 1130CO 0.02 0.00 1.68 0.77 -0.54 0.00 0.00 174.62 176.54 3hmj h SER 1131N 1.49 0.22 0.54 3.99 4.64 -1.95 -2.65 113.55 119.83 3hmj h SER 1131Ca -0.40 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hmj h SER 1131Cb 1.30 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3hmj h SER 1131CO 0.66 -0.07 -0.17 -1.54 -0.87 0.00 0.00 176.83 174.84 3hmj n SER 1132N -5.11 0.38 -4.71 4.97 3.41 -1.26 -4.89 113.62 106.40 3hmj n SER 1132Ca 0.22 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 3hmj n SER 1132Cb 0.69 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3hmj n SER 1132CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hmj s THR 1133N -2.71 2.96 0.05 6.66 -4.23 -1.00 -4.93 115.64 112.44 3hmj s THR 1133Ca 0.21 0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 61.09 3hmj s THR 1133Cb 0.19 -3.43 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 3hmj s THR 1133CO 0.54 0.05 1.53 -0.62 -0.54 0.00 0.00 174.62 175.58 3hmj s ASP 1134N 1.21 6.72 0.17 3.99 2.15 -1.26 -4.92 116.67 124.71 3hmj s ASP 1134Ca 0.68 2.33 -0.14 0.00 0.43 0.00 0.00 52.55 55.84 3hmj s ASP 1134Cb -0.40 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.71 3hmj s ASP 1134CO 0.31 -0.80 1.82 -0.33 -0.17 0.00 0.00 175.17 175.99 3hmj h GLU 1135N 7.98 0.68 -0.32 4.34 5.08 -1.98 -0.98 114.58 129.38 3hmj h GLU 1135Ca -0.41 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3hmj h GLU 1135Cb 1.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3hmj h GLU 1135CO 0.91 0.47 0.13 1.49 -1.00 0.00 0.00 179.01 181.02 3hmj h GLU 1136N 0.68 0.48 0.14 2.33 4.81 -2.01 -2.32 114.58 118.70 3hmj h GLU 1136Ca 0.18 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3hmj h GLU 1136Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3hmj h GLU 1136CO -0.04 0.49 -0.14 1.03 -0.73 0.00 0.00 179.01 179.62 3hmj h SER 1137N 0.38 -0.37 -0.53 1.04 0.87 -1.94 -2.78 113.55 110.21 3hmj h SER 1137Ca 0.11 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 60.81 3hmj h SER 1137Cb 0.19 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 62.17 3hmj h SER 1137CO -0.01 -0.22 -0.25 -0.25 -0.53 0.00 0.00 176.83 175.57 3hmj h TRP 1138N -0.31 -0.66 -0.27 2.24 2.91 -1.02 -2.05 115.95 116.79 3hmj h TRP 1138Ca 0.00 0.06 -0.09 0.00 1.13 0.00 0.00 58.89 59.99 3hmj h TRP 1138Cb 0.30 0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 3hmj h TRP 1138CO -0.13 -0.33 -0.22 0.74 -1.03 0.00 0.00 178.44 177.47 3hmj h PHE 1139N -0.13 0.55 -0.84 2.65 0.04 -1.35 -2.22 116.94 115.65 3hmj h PHE 1139Ca 0.24 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.93 3hmj h PHE 1139Cb 0.50 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 3hmj h PHE 1139CO -0.54 0.68 0.55 0.87 -0.60 0.00 0.00 178.31 179.27 3hmj h LYS 1140N 0.45 1.04 0.71 1.51 1.57 -1.10 0.42 116.57 121.17 3hmj h LYS 1140Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hmj h LYS 1140Cb 0.62 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hmj h LYS 1140CO 0.04 0.69 -0.34 0.00 -0.57 0.00 0.00 179.45 179.27 3hmj h ALA 1141N 1.50 -0.96 0.00 3.86 0.00 -1.00 -2.38 119.26 120.28 3hmj h ALA 1141Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hmj h ALA 1141Cb -0.02 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hmj h ALA 1141CO -0.09 -0.97 -0.05 -0.07 0.00 0.00 0.00 179.25 178.07 3hmj h LEU 1142N -1.08 0.00 -0.47 0.00 3.38 -1.24 -2.47 115.31 113.43 3hmj h LEU 1142Ca -0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3hmj h LEU 1142Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hmj h LEU 1142CO 0.16 0.05 -0.25 0.00 0.09 0.00 0.00 178.44 178.49 3hmj h ALA 1143N 1.95 0.66 0.00 1.53 0.00 0.16 -3.45 119.26 120.10 3hmj h ALA 1143Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hmj h ALA 1143Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hmj h ALA 1143CO 0.01 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3hmj n GLY 1144N -0.06 -0.87 0.12 0.00 0.00 -0.92 -2.27 105.19 101.19 3hmj n GLY 1144Ca -0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 3hmj n GLY 1144CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmj n SER 1145N -1.35 1.67 -4.77 1.61 3.41 -1.26 -4.85 113.62 108.08 3hmj n SER 1145Ca 0.00 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 3hmj n SER 1145Cb 0.00 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 3hmj n SER 1145CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hmj s GLU 1146N -2.56 4.29 -0.51 4.33 2.12 -1.26 -4.95 118.70 120.17 3hmj s GLU 1146Ca -0.19 2.30 -0.26 0.00 0.36 0.00 0.00 54.97 57.18 3hmj s GLU 1146Cb 0.07 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.44 3hmj s GLU 1146CO 0.76 -0.28 0.99 0.42 -0.54 0.00 0.00 175.26 176.60 3hmj s ILE 1147N -1.04 4.36 0.00 -3.70 1.01 -1.26 -4.51 121.20 116.05 3hmj s ILE 1147Ca 0.51 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3hmj s ILE 1147Cb -0.41 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.53 3hmj s ILE 1147CO 0.54 -1.01 0.00 -0.46 0.00 0.00 0.00 174.94 174.02 3hmj n ASN 1148N 7.49 0.00 -0.24 3.58 2.04 -1.26 -3.92 115.26 122.96 3hmj n ASN 1148Ca 0.06 -0.92 0.14 0.00 -0.44 0.00 0.00 54.58 53.41 3hmj n ASN 1148Cb 0.48 0.00 0.43 0.00 -2.53 0.00 0.00 39.78 38.16 3hmj n ASN 1148CO 0.00 0.00 0.00 4.11 -0.44 0.00 0.00 177.26 180.93 3hmj h TRP 1149N 0.92 0.69 0.01 -2.53 5.08 -1.97 -1.94 115.95 116.22 3hmj h TRP 1149Ca 0.00 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.80 3hmj h TRP 1149Cb 0.00 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 25.92 3hmj h TRP 1149CO 0.00 0.25 -0.90 -0.09 -1.28 0.00 0.00 178.44 176.41 3hmj h ARG 1150N 0.58 0.06 0.29 0.12 2.43 -1.92 -1.50 114.38 114.43 3hmj h ARG 1150Ca 0.43 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 3hmj h ARG 1150Cb 0.81 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hmj h ARG 1150CO -0.18 0.92 -0.14 1.25 -1.51 0.00 0.00 179.97 180.31 3hmj h HIS 1151N 0.03 -0.36 -0.31 2.20 2.76 -0.93 -2.95 115.15 115.59 3hmj h HIS 1151Ca -0.02 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 3hmj h HIS 1151Cb 1.58 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.64 3hmj h HIS 1151CO 0.01 -0.19 -0.05 0.00 -1.30 0.00 0.00 177.93 176.40 3hmj h ALA 1152N 0.29 1.34 0.00 5.26 0.00 -1.41 -2.13 119.26 122.61 3hmj h ALA 1152Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hmj h ALA 1152Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hmj h ALA 1152CO 0.06 0.45 0.00 0.77 0.00 0.00 0.00 179.25 180.53 3hmj h SER 1153N 0.47 0.00 0.00 0.00 0.02 -1.10 -1.28 113.55 111.66 3hmj h SER 1153Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hmj h SER 1153Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hmj h SER 1153CO 0.02 0.00 -0.27 0.49 -1.14 0.00 0.00 176.83 175.93 3hmj n PHE 1154N -2.73 0.00 0.00 3.45 3.01 -1.01 -3.92 117.46 116.26 3hmj n PHE 1154Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hmj n PHE 1154Cb 0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3hmj n PHE 1154CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hmj n LEU 1155N -1.14 0.00 -4.63 4.37 4.77 -0.84 -4.86 117.00 114.68 3hmj n LEU 1155Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 3hmj n LEU 1155Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3hmj n LEU 1155CO 0.08 0.00 1.46 0.00 -1.33 0.00 0.00 177.39 177.60 3hmj h SER 1157N 11.07 0.00 -4.30 0.00 0.02 -1.92 -3.43 113.55 114.99 3hmj h SER 1157Ca -0.38 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.20 3hmj h SER 1157Cb 1.18 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.47 3hmj h SER 1157CO 0.98 0.14 -0.77 -0.36 -1.14 0.00 0.00 176.83 175.68 3hmj s PHE 1158N -4.23 0.89 0.37 3.45 0.08 -1.26 -1.68 117.98 115.60 3hmj s PHE 1158Ca -0.03 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.79 3hmj s PHE 1158Cb 0.13 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 3hmj s PHE 1158CO 0.60 -0.01 0.37 0.42 -0.10 0.00 0.00 175.22 176.51 3hmj s ILE 1159N -0.73 3.24 -0.01 0.64 -1.09 -0.16 -4.77 121.20 118.32 3hmj s ILE 1159Ca -0.01 -1.27 0.07 0.00 -2.23 0.00 0.00 60.65 57.21 3hmj s ILE 1159Cb -0.07 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.66 3hmj s ILE 1159CO 0.00 -0.09 -0.22 -0.89 -1.23 0.00 0.00 174.94 172.51 3hmj s THR 1160N -2.35 2.44 -0.34 2.92 2.01 -1.02 -1.91 115.64 117.39 3hmj s THR 1160Ca 0.45 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 3hmj s THR 1160Cb -0.06 -1.92 0.13 0.00 0.01 0.00 0.00 72.50 70.66 3hmj s THR 1160CO 0.28 0.51 0.19 -1.10 -0.69 0.00 0.00 174.62 173.82 3hmj s GLN 1161N -0.86 0.49 -1.05 4.92 -0.21 0.66 -1.10 119.66 122.50 3hmj s GLN 1161Ca 0.11 -1.18 -0.04 0.00 0.02 0.00 0.00 55.36 54.27 3hmj s GLN 1161Cb -0.10 -1.30 -0.05 0.00 1.00 0.00 0.00 33.01 32.56 3hmj s GLN 1161CO 0.01 -1.17 0.91 -0.25 -2.12 0.00 0.00 175.29 172.67 3hmj n ASP 1162N 4.28 -5.34 0.00 5.90 8.00 -1.26 -1.94 116.55 126.19 3hmj n ASP 1162Ca 0.08 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3hmj n ASP 1162Cb 0.38 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 36.45 3hmj n ASP 1162CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hmj n LYS 1163N -3.39 0.00 -3.12 -1.24 5.02 -1.26 -4.97 118.16 109.19 3hmj n LYS 1163Ca -0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 3hmj n LYS 1163Cb 0.63 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 3hmj n LYS 1163CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hmj s MET 1164N 0.00 4.12 -0.28 1.97 -1.94 -0.82 -4.33 119.30 118.02 3hmj s MET 1164Ca 0.00 0.76 -0.06 0.00 -1.71 0.00 0.00 55.69 54.68 3hmj s MET 1164Cb 0.00 -2.65 0.01 0.00 2.01 0.00 0.00 34.83 34.20 3hmj s MET 1164CO 0.00 0.27 0.04 -0.06 -0.01 0.00 0.00 175.02 175.27 3hmj s PHE 1165N -1.76 3.12 0.27 -0.03 0.40 -0.33 -0.25 117.98 119.39 3hmj s PHE 1165Ca 0.49 -1.05 0.06 0.00 -0.60 0.00 0.00 56.93 55.82 3hmj s PHE 1165Cb -0.13 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 3hmj s PHE 1165CO 0.19 -0.59 0.37 0.08 0.70 0.00 0.00 175.22 175.97 3hmj s VAL 1166N 1.47 4.81 0.42 -0.44 1.01 -0.80 -4.64 120.40 122.23 3hmj s VAL 1166Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 3hmj s VAL 1166Cb -0.17 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 3hmj s VAL 1166CO 0.01 -0.28 1.22 -0.55 0.00 0.00 0.00 175.10 175.50 3hmj s SER 1167N -4.02 6.30 -0.13 3.32 0.15 -1.26 -0.99 113.70 117.07 3hmj s SER 1167Ca 0.37 2.46 -0.29 0.00 0.70 0.00 0.00 55.95 59.19 3hmj s SER 1167Cb -0.09 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.54 3hmj s SER 1167CO 0.29 -0.84 2.06 0.21 1.20 0.00 0.00 173.24 176.16 3hmj s ASN 1168N -1.04 5.91 0.16 5.45 2.47 -0.68 -4.53 114.94 122.69 3hmj s ASN 1168Ca 0.59 2.13 -0.08 0.00 0.42 0.00 0.00 52.86 55.92 3hmj s ASN 1168Cb -0.33 -2.52 0.03 0.00 -1.45 0.00 0.00 41.25 36.98 3hmj s ASN 1168CO 0.42 -1.56 1.50 -0.65 -3.72 0.00 0.00 177.10 173.09 3hmj h PRO 1169N 12.99 0.82 0.45 0.43 0.11 -1.92 -1.63 132.00 143.25 3hmj h PRO 1169Ca -0.43 -0.44 -0.02 0.00 0.11 0.00 0.00 66.00 65.22 3hmj h PRO 1169Cb 1.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hmj h PRO 1169CO 0.96 1.07 -0.27 0.82 -0.21 0.00 0.00 178.00 180.37 3hmj h ILE 1170N 0.67 0.44 -0.68 4.15 2.04 -1.90 0.07 117.51 122.29 3hmj h ILE 1170Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.05 3hmj h ILE 1170Cb 0.98 0.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.40 3hmj h ILE 1170CO 0.09 0.00 0.12 -0.09 0.00 0.00 0.00 178.15 178.27 3hmj h ARG 1171N -0.69 0.22 -0.07 2.37 2.43 -1.65 -1.54 114.38 115.45 3hmj h ARG 1171Ca -0.05 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hmj h ARG 1171Cb 0.56 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 3hmj h ARG 1171CO 0.05 0.15 -0.18 0.87 -1.51 0.00 0.00 179.97 179.36 3hmj h LYS 1172N 0.23 -0.24 0.00 0.20 1.79 -0.68 -2.67 116.57 115.20 3hmj h LYS 1172Ca 0.37 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 3hmj h LYS 1172Cb 0.61 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3hmj h LYS 1172CO -0.49 -0.16 -0.14 0.28 -1.08 0.00 0.00 179.45 177.85 3hmj h VAL 1173N -0.25 0.42 -0.02 0.50 2.07 -0.01 -2.75 116.25 116.20 3hmj h VAL 1173Ca 0.08 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3hmj h VAL 1173Cb 0.36 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3hmj h VAL 1173CO -0.21 0.14 -0.23 0.49 0.02 0.00 0.00 177.57 177.78 3hmj n PHE 1174N -3.37 0.00 -1.65 1.57 3.01 -0.87 -4.96 117.46 111.19 3hmj n PHE 1174Ca -0.00 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.88 3hmj n PHE 1174Cb 0.34 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.72 3hmj n PHE 1174CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hmj n LYS 1175N 0.31 0.86 -0.78 -1.08 4.81 -1.02 -4.87 118.16 116.39 3hmj n LYS 1175Ca 0.13 0.31 -0.34 0.00 -0.87 0.00 0.00 58.31 57.54 3hmj n LYS 1175Cb 0.47 -1.94 0.13 0.00 0.02 0.00 0.00 35.03 33.71 3hmj n LYS 1175CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hmj n PRO 1176N 3.82 -1.02 0.00 1.64 -0.02 -1.26 -5.04 135.00 133.12 3hmj n PRO 1176Ca 0.24 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3hmj n PRO 1176Cb 0.12 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3hmj n PRO 1176CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hmj n SER 1177N -0.24 0.00 -4.63 2.55 3.41 -1.26 -5.08 113.62 108.37 3hmj n SER 1177Ca 0.01 0.00 -0.53 0.00 -0.26 0.00 0.00 58.87 58.09 3hmj n SER 1177Cb 0.64 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 3hmj n SER 1177CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3hmj n GLN 1178N -0.78 1.27 0.00 4.33 7.27 -1.25 -2.54 117.38 125.68 3hmj n GLN 1178Ca 0.00 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.53 3hmj n GLN 1178Cb 0.00 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.52 3hmj n GLN 1178CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hmj n GLY 1179N 3.13 2.35 3.78 1.69 0.00 -1.10 -5.00 105.19 110.05 3hmj n GLY 1179Ca 0.21 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3hmj n GLY 1179CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hmj s MET 1180N 0.00 4.14 -0.05 1.61 0.23 -1.05 -4.36 119.30 119.82 3hmj s MET 1180Ca 0.00 1.48 -0.01 0.00 -1.03 0.00 0.00 55.69 56.13 3hmj s MET 1180Cb 0.00 -2.49 0.03 0.00 -1.53 0.00 0.00 34.83 30.84 3hmj s MET 1180CO 0.00 -0.16 0.03 0.08 -2.03 0.00 0.00 175.02 172.94 3hmj s VAL 1181N -1.70 0.08 -0.17 5.16 1.01 -0.69 -2.08 120.40 122.01 3hmj s VAL 1181Ca 0.59 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 3hmj s VAL 1181Cb -0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3hmj s VAL 1181CO 0.26 0.19 -0.01 -0.69 0.00 0.00 0.00 175.10 174.86 3hmj s VAL 1182N 1.86 4.11 -0.32 2.92 1.01 -0.56 -0.60 120.40 128.82 3hmj s VAL 1182Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3hmj s VAL 1182Cb -0.12 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.51 3hmj s VAL 1182CO -0.03 0.47 0.02 -0.70 0.00 0.00 0.00 175.10 174.86 3hmj s GLU 1183N 0.52 1.89 -0.15 2.72 2.12 0.04 -0.92 118.70 124.93 3hmj s GLU 1183Ca -0.01 -1.64 -0.22 0.00 0.36 0.00 0.00 54.97 53.45 3hmj s GLU 1183Cb -0.14 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 3hmj s GLU 1183CO 0.02 -0.81 0.68 0.42 -0.54 0.00 0.00 175.26 175.02 3hmj s ILE 1184N 1.04 5.01 -0.05 -3.70 1.01 -0.69 -1.60 121.20 122.23 3hmj s ILE 1184Ca 0.03 1.33 0.05 0.00 0.00 0.00 0.00 60.65 62.06 3hmj s ILE 1184Cb -0.20 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3hmj s ILE 1184CO -0.06 0.15 -0.19 -0.94 0.00 0.00 0.00 174.94 173.90 3hmj s SER 1185N 1.03 3.60 -1.08 3.58 1.04 -1.01 -2.12 113.70 118.75 3hmj s SER 1185Ca 0.33 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 3hmj s SER 1185Cb -0.16 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.22 3hmj s SER 1185CO 0.13 0.31 0.91 -3.20 0.98 0.00 0.00 173.24 172.37 3hmj n ASN 1186N 2.51 -3.16 0.10 7.02 5.15 -1.18 -1.89 115.26 123.80 3hmj n ASN 1186Ca -0.17 -0.51 -0.02 0.00 -0.60 0.00 0.00 54.58 53.28 3hmj n ASN 1186Cb 0.52 -4.47 0.22 0.00 -0.53 0.00 0.00 39.78 35.52 3hmj n ASN 1186CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3hmj h GLY 1187N -1.85 0.22 2.00 8.20 0.00 -0.91 -3.29 103.07 107.45 3hmj h GLY 1187Ca -0.50 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 3hmj h GLY 1187CO 0.45 0.20 -0.35 3.43 0.00 0.00 0.00 176.54 180.26 3hmj h ASN 1188N 0.17 0.00 -3.81 0.19 4.21 -1.92 -3.41 115.58 111.02 3hmj h ASN 1188Ca 0.01 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.88 3hmj h ASN 1188Cb 0.85 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.88 3hmj h ASN 1188CO 0.07 0.35 -0.53 0.28 -1.29 0.00 0.00 177.43 176.31 3hmj s THR 1189N -3.12 5.17 0.05 2.81 -1.32 -1.24 -5.02 115.64 112.97 3hmj s THR 1189Ca 0.04 0.12 -0.24 0.00 -1.21 0.00 0.00 61.69 60.41 3hmj s THR 1189Cb 0.07 -3.45 -0.12 0.00 -1.51 0.00 0.00 72.50 67.50 3hmj s THR 1189CO 0.71 0.28 1.36 -1.28 -2.21 0.00 0.00 174.62 173.49 3hmj h SER 1190N 8.19 -0.90 0.00 8.08 0.87 -1.85 -3.09 113.55 124.86 3hmj h SER 1190Ca -0.36 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3hmj h SER 1190Cb 1.18 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 3hmj h SER 1190CO 0.57 -0.45 0.16 -1.28 -0.53 0.00 0.00 176.83 175.30 3hmj h SER 1191N -0.69 0.00 -0.01 6.23 0.87 -1.95 -2.01 113.55 115.98 3hmj h SER 1191Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3hmj h SER 1191Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3hmj h SER 1191CO -0.02 0.00 -0.12 0.29 -0.53 0.00 0.00 176.83 176.45 3hmj n LYS 1192N -2.93 1.38 -1.88 2.24 5.02 -1.20 -4.73 118.16 116.05 3hmj n LYS 1192Ca -0.02 -1.10 -0.38 0.00 -2.02 0.00 0.00 58.31 54.78 3hmj n LYS 1192Cb 0.21 -1.25 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3hmj n LYS 1192CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hmj s THR 1193N -1.43 2.29 -0.32 -0.18 2.01 -0.76 -4.85 115.64 112.40 3hmj s THR 1193Ca 0.15 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.38 3hmj s THR 1193Cb 0.12 -3.11 0.14 0.00 0.01 0.00 0.00 72.50 69.66 3hmj s THR 1193CO 0.26 -0.00 0.33 -0.69 -0.69 0.00 0.00 174.62 173.82 3hmj s VAL 1194N -1.35 -0.36 0.20 3.82 1.01 -0.79 -4.31 120.40 118.61 3hmj s VAL 1194Ca 0.70 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 3hmj s VAL 1194Cb -0.38 -0.87 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 3hmj s VAL 1194CO 0.45 -0.53 0.89 0.54 0.00 0.00 0.00 175.10 176.45 3hmj s VAL 1195N 1.96 4.22 -0.05 2.92 0.11 -0.71 -2.40 120.40 126.44 3hmj s VAL 1195Ca 0.13 1.96 -0.02 0.00 -2.93 0.00 0.00 61.98 61.12 3hmj s VAL 1195Cb -0.15 -4.27 0.03 0.00 -1.53 0.00 0.00 36.38 30.46 3hmj s VAL 1195CO -0.20 0.49 0.03 -0.89 -3.33 0.00 0.00 175.10 171.20 3hmj s THR 1196N -1.02 0.09 -0.18 5.04 2.01 -0.62 -1.03 115.64 119.93 3hmj s THR 1196Ca 0.40 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.54 3hmj s THR 1196Cb -0.25 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3hmj s THR 1196CO 0.30 0.21 0.34 -0.22 -0.69 0.00 0.00 174.62 174.56 3hmj s LEU 1197N 1.99 4.21 -0.11 4.42 0.20 0.07 -0.78 118.68 128.67 3hmj s LEU 1197Ca 0.04 0.52 -0.00 0.00 0.69 0.00 0.00 54.13 55.37 3hmj s LEU 1197Cb -0.12 -2.44 0.02 0.00 -0.43 0.00 0.00 46.19 43.22 3hmj s LEU 1197CO -0.04 0.02 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.52 3hmj s SER 1198N 0.73 2.18 0.31 3.68 0.01 0.23 -1.07 113.70 119.77 3hmj s SER 1198Ca 0.18 -0.31 0.10 0.00 1.31 0.00 0.00 55.95 57.23 3hmj s SER 1198Cb -0.14 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 3hmj s SER 1198CO 0.06 -0.10 -0.10 -1.61 0.41 0.00 0.00 173.24 171.90 3hmj s GLU 1199N 1.62 1.89 -0.30 12.44 2.02 -0.46 -1.70 118.70 134.21 3hmj s GLU 1199Ca 0.04 -1.77 -0.29 0.00 0.02 0.00 0.00 54.97 52.97 3hmj s GLU 1199Cb -0.13 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 3hmj s GLU 1199CO -0.08 0.23 1.73 -2.14 0.02 0.00 0.00 175.26 175.03 3hmj s PRO 1200N -3.61 3.48 -0.27 0.39 0.02 -1.26 -1.65 135.00 132.09 3hmj s PRO 1200Ca 0.32 1.47 0.02 0.00 0.02 0.00 0.00 61.00 62.83 3hmj s PRO 1200Cb -0.02 -4.15 0.06 0.00 0.02 0.00 0.00 34.50 30.41 3hmj s PRO 1200CO 0.17 -1.69 -0.09 0.08 -0.33 0.00 0.00 177.00 175.15 3hmj s VAL 1201N 6.34 2.34 -1.31 3.83 1.01 -0.24 -4.66 120.40 127.70 3hmj s VAL 1201Ca 0.77 -1.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3hmj s VAL 1201Cb -0.23 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3hmj s VAL 1201CO 0.33 -0.04 0.70 0.00 0.00 0.00 0.00 175.10 176.08 3hmj n GLN 1202N 4.47 -4.87 0.00 2.72 6.02 -1.26 -3.42 117.38 121.04 3hmj n GLN 1202Ca -0.14 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 3hmj n GLN 1202Cb 0.42 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.52 3hmj n GLN 1202CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hmj n GLY 1203N -1.59 2.33 3.87 1.08 0.00 -1.26 -4.99 105.19 104.64 3hmj n GLY 1203Ca -0.29 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3hmj n GLY 1203CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hmj s GLU 1204N 0.00 3.82 0.51 1.61 -1.05 -1.22 -4.91 118.70 117.47 3hmj s GLU 1204Ca 0.00 0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.96 3hmj s GLU 1204Cb 0.00 -2.58 -0.07 0.00 -0.44 0.00 0.00 34.13 31.04 3hmj s GLU 1204CO 0.00 0.24 1.11 -1.17 0.95 0.00 0.00 175.26 176.39 3hmj s LEU 1205N -3.02 3.83 -0.01 1.83 0.20 -1.26 -1.08 118.68 119.17 3hmj s LEU 1205Ca 0.49 2.12 -0.29 0.00 0.69 0.00 0.00 54.13 57.14 3hmj s LEU 1205Cb -0.11 -4.51 0.08 0.00 -0.43 0.00 0.00 46.19 41.22 3hmj s LEU 1205CO 0.22 -1.03 0.73 -0.54 -0.29 0.00 0.00 176.35 175.45 3hmj s LYS 1206N -3.15 1.02 0.08 1.98 1.02 -0.66 -4.85 119.74 115.17 3hmj s LYS 1206Ca 0.69 -0.01 -0.31 0.00 0.02 0.00 0.00 55.97 56.37 3hmj s LYS 1206Cb -0.22 0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 37.49 3hmj s LYS 1206CO 0.26 -0.37 1.48 -2.14 -0.92 0.00 0.00 175.35 173.66 3hmj s PRO 1207N -2.05 4.26 -0.11 -1.68 0.02 -1.26 -1.35 135.00 132.83 3hmj s PRO 1207Ca -0.05 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.14 3hmj s PRO 1207Cb -0.00 -3.41 -0.08 0.00 0.02 0.00 0.00 34.50 31.02 3hmj s PRO 1207CO 0.01 -0.57 -0.08 0.25 -0.33 0.00 0.00 177.00 176.27 3hmj n THR 1208N 4.34 0.65 -4.12 0.99 -2.24 -0.23 -4.83 114.28 108.84 3hmj n THR 1208Ca 0.13 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 3hmj n THR 1208Cb 0.42 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.63 3hmj n THR 1208CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hmj s VAL 1209N -2.23 0.38 -0.16 2.28 1.01 -1.07 0.48 120.40 121.09 3hmj s VAL 1209Ca -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3hmj s VAL 1209Cb 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.13 3hmj s VAL 1209CO 0.28 0.04 0.02 -0.63 0.00 0.00 0.00 175.10 174.82 3hmj s ILE 1210N -0.25 0.52 -0.21 2.22 1.01 -0.30 -0.75 121.20 123.43 3hmj s ILE 1210Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3hmj s ILE 1210Cb -0.03 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3hmj s ILE 1210CO -0.00 -0.08 -0.09 -0.22 0.00 0.00 0.00 174.94 174.55 3hmj s LEU 1211N 1.88 2.66 0.36 2.97 0.20 -0.20 -0.46 118.68 126.08 3hmj s LEU 1211Ca 0.01 -0.47 -0.11 0.00 0.69 0.00 0.00 54.13 54.25 3hmj s LEU 1211Cb -0.16 -1.66 0.03 0.00 -0.43 0.00 0.00 46.19 43.98 3hmj s LEU 1211CO -0.07 -0.01 0.66 -1.59 -0.29 0.00 0.00 176.35 175.05 3hmj s LYS 1212N 1.39 2.08 0.35 1.98 -2.85 -0.97 -1.74 119.74 119.98 3hmj s LYS 1212Ca 0.05 -1.54 0.03 0.00 -1.00 0.00 0.00 55.97 53.51 3hmj s LYS 1212Cb -0.14 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 3hmj s LYS 1212CO -0.06 -0.93 0.53 -0.51 0.10 0.00 0.00 175.35 174.48 3hmj s LEU 1213N -3.13 3.96 0.00 2.77 1.43 -1.26 -0.99 118.68 121.46 3hmj s LEU 1213Ca 0.21 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3hmj s LEU 1213Cb -0.03 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 3hmj s LEU 1213CO 0.15 -0.40 0.09 0.18 0.23 0.00 0.00 176.35 176.60 3hmj n LEU 1214N -1.76 0.00 -4.64 1.79 4.77 -0.35 -4.85 117.00 111.97 3hmj n LEU 1214Ca -0.03 -1.99 -0.39 0.00 -0.03 0.00 0.00 56.01 53.58 3hmj n LEU 1214Cb 0.57 0.66 0.04 0.00 -2.33 0.00 0.00 43.42 42.36 3hmj n LEU 1214CO 0.46 -0.31 0.63 0.29 -1.33 0.00 0.00 177.39 177.14 3hmj n LYS 1215N -0.58 1.17 -3.64 3.23 5.02 -1.26 -3.55 118.16 118.54 3hmj n LYS 1215Ca -0.04 0.44 -0.24 0.00 -2.02 0.00 0.00 58.31 56.45 3hmj n LYS 1215Cb 0.39 -2.21 0.07 0.00 -0.02 0.00 0.00 35.03 33.26 3hmj n LYS 1215CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hmj n GLU 1216N -0.70 -7.44 -3.17 1.97 1.02 -1.26 -3.62 120.64 107.43 3hmj n GLU 1216Ca 0.12 0.79 -0.04 0.00 -0.02 0.00 0.00 57.16 58.01 3hmj n GLU 1216Cb 0.45 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.06 3hmj n GLU 1216CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hmj n ASN 1217N -3.00 -7.35 -3.62 1.62 5.03 -1.23 -4.95 115.26 101.76 3hmj n ASN 1217Ca -0.02 -0.21 -0.27 0.00 0.87 0.00 0.00 54.58 54.95 3hmj n ASN 1217Cb 0.57 -4.75 -0.16 0.00 -1.02 0.00 0.00 39.78 34.42 3hmj n ASN 1217CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hmj s ILE 1218N -2.99 0.06 0.34 2.41 1.01 -1.24 -3.15 121.20 117.64 3hmj s ILE 1218Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3hmj s ILE 1218Cb -0.00 -0.80 -0.10 0.00 0.01 0.00 0.00 42.46 41.56 3hmj s ILE 1218CO 0.77 -0.41 1.32 -0.63 0.00 0.00 0.00 174.94 176.00 3hmj s ILE 1219N 2.06 2.66 -0.09 2.92 -1.09 0.18 -1.21 121.20 126.63 3hmj s ILE 1219Ca 0.04 0.66 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 3hmj s ILE 1219Cb -0.16 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 3hmj s ILE 1219CO -0.17 0.16 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.00 3hmj s GLN 1220N -1.82 1.75 -0.50 2.79 0.74 -0.16 -1.00 119.66 121.47 3hmj s GLN 1220Ca 0.49 -0.40 -0.08 0.00 0.05 0.00 0.00 55.36 55.43 3hmj s GLN 1220Cb -0.40 -1.55 0.13 0.00 1.10 0.00 0.00 33.01 32.29 3hmj s GLN 1220CO 0.54 -0.07 0.36 1.41 -0.55 0.00 0.00 175.29 176.97 3hmj s MET 1221N 1.02 2.47 -0.39 1.67 -2.45 -0.25 -2.29 119.30 119.08 3hmj s MET 1221Ca -0.07 -1.90 -0.29 0.00 -1.25 0.00 0.00 55.69 52.18 3hmj s MET 1221Cb -0.15 -3.88 0.00 0.00 1.25 0.00 0.00 34.83 32.06 3hmj s MET 1221CO -0.01 -1.18 1.47 -2.00 1.05 0.00 0.00 175.02 174.36 3hmj s GLU 1222N 1.11 3.55 -0.39 4.11 2.12 0.39 -2.12 118.70 127.47 3hmj s GLU 1222Ca 0.08 1.04 -0.13 0.00 0.36 0.00 0.00 54.97 56.32 3hmj s GLU 1222Cb -0.24 -4.05 0.02 0.00 0.26 0.00 0.00 34.13 30.12 3hmj s GLU 1222CO -0.02 -1.59 0.26 1.41 -0.54 0.00 0.00 175.26 174.78 3hmj s MET 1223N 5.02 2.95 -0.15 4.30 -2.45 -0.45 -1.15 119.30 127.36 3hmj s MET 1223Ca 0.64 -1.01 -0.05 0.00 -1.25 0.00 0.00 55.69 54.02 3hmj s MET 1223Cb -0.15 -3.86 -0.03 0.00 1.25 0.00 0.00 34.83 32.03 3hmj s MET 1223CO 0.32 -0.70 0.01 0.42 1.05 0.00 0.00 175.02 176.12 3hmj s ILE 1224N 1.63 4.34 -0.27 10.11 1.01 0.18 -0.66 121.20 137.54 3hmj s ILE 1224Ca 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 3hmj s ILE 1224Cb -0.19 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3hmj s ILE 1224CO 0.09 0.50 0.03 -0.70 0.00 0.00 0.00 174.94 174.86 3hmj s GLU 1225N 0.13 3.21 0.04 2.79 2.56 -0.63 -4.71 118.70 122.10 3hmj s GLU 1225Ca 0.02 -0.76 0.09 0.00 0.00 0.00 0.00 54.97 54.32 3hmj s GLU 1225Cb -0.13 -3.24 -0.22 0.00 2.00 0.00 0.00 34.13 32.54 3hmj s GLU 1225CO 0.02 -0.34 0.98 -0.91 -0.56 0.00 0.00 175.26 174.45 3hmj h ASN 1226N 8.18 0.02 -2.39 -1.70 2.35 -1.89 -2.61 115.58 117.54 3hmj h ASN 1226Ca -0.35 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 54.80 3hmj h ASN 1226Cb 1.14 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.40 3hmj h ASN 1226CO 0.60 1.03 0.94 -0.13 -1.65 0.00 0.00 177.43 178.21 3hmj s ARG 1227N -2.66 3.19 0.00 0.81 0.52 -1.26 -4.56 118.95 114.99 3hmj s ARG 1227Ca -0.02 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 3hmj s ARG 1227Cb 0.09 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.31 3hmj s ARG 1227CO 0.82 -2.06 0.00 0.25 0.02 0.00 0.00 175.30 174.34 3hmj n THR 1228N 6.27 0.00 0.09 0.02 -2.24 -1.26 -4.99 114.28 112.17 3hmj n THR 1228Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3hmj n THR 1228Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3hmj n THR 1228CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3hmj h MET 1229N 0.00 0.10 0.00 -0.78 2.86 -1.86 -3.37 114.93 111.87 3hmj h MET 1229Ca 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3hmj h MET 1229Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3hmj h MET 1229CO 0.00 0.90 0.00 -0.40 1.06 0.00 0.00 176.91 178.47 3hmj n ASP 1230N -3.60 1.55 0.00 1.22 5.68 -1.26 -4.99 116.55 115.15 3hmj n ASP 1230Ca -0.02 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 3hmj n ASP 1230Cb 0.81 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 3hmj n ASP 1230CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hmj n GLY 1231N -0.38 2.92 3.51 6.12 0.00 -1.26 -4.98 105.19 111.12 3hmj n GLY 1231Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3hmj n GLY 1231CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmj s LYS 1232N -0.17 3.28 0.13 1.61 1.02 -1.26 -4.87 119.74 119.47 3hmj s LYS 1232Ca 0.00 -0.40 -0.33 0.00 0.02 0.00 0.00 55.97 55.27 3hmj s LYS 1232Cb 0.00 -4.09 -0.18 0.00 -0.52 0.00 0.00 37.83 33.04 3hmj s LYS 1232CO 0.00 -1.56 0.77 -2.30 -0.92 0.00 0.00 175.35 171.34 3hmj n PRO 1233N 7.53 0.11 -4.05 -1.68 -0.02 -1.26 -4.88 135.00 130.74 3hmj n PRO 1233Ca 0.00 0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 3hmj n PRO 1233Cb 0.47 -1.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 3hmj n PRO 1233CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hmj s VAL 1234N -0.59 4.14 -0.06 -1.45 1.01 -0.98 -5.00 120.40 117.48 3hmj s VAL 1234Ca 0.74 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3hmj s VAL 1234Cb -1.04 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.05 3hmj s VAL 1234CO 0.56 -0.31 0.14 -0.55 0.00 0.00 0.00 175.10 174.95 3hmj s SER 1235N -3.87 -0.14 -0.30 3.32 0.15 -1.26 -1.60 113.70 109.99 3hmj s SER 1235Ca 0.35 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 3hmj s SER 1235Cb -0.07 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3hmj s SER 1235CO 0.25 -0.07 0.14 -0.22 1.20 0.00 0.00 173.24 174.54 3hmj s LEU 1236N 0.29 4.03 -0.70 3.45 0.20 0.17 -4.89 118.68 121.22 3hmj s LEU 1236Ca -0.02 -0.52 -0.26 0.00 0.69 0.00 0.00 54.13 54.03 3hmj s LEU 1236Cb -0.03 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.79 3hmj s LEU 1236CO -0.01 -0.18 1.18 -2.84 -0.29 0.00 0.00 176.35 174.21 3hmj s PRO 1237N 1.60 3.19 -0.25 0.98 0.02 -1.26 -1.34 135.00 137.94 3hmj s PRO 1237Ca 0.04 -0.37 -0.15 0.00 0.02 0.00 0.00 61.00 60.54 3hmj s PRO 1237Cb -0.17 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 3hmj s PRO 1237CO 0.06 -2.01 0.39 -0.51 -0.33 0.00 0.00 177.00 174.60 3hmj s LEU 1238N 5.17 4.07 -0.11 -5.54 1.43 -0.90 -4.98 118.68 117.82 3hmj s LEU 1238Ca 0.32 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 3hmj s LEU 1238Cb -0.11 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3hmj s LEU 1238CO 0.14 -0.16 -0.13 -0.76 0.23 0.00 0.00 176.35 175.68 3hmj s LEU 1239N 1.88 2.77 -0.09 1.79 1.43 -1.26 -1.09 118.68 124.11 3hmj s LEU 1239Ca 0.17 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3hmj s LEU 1239Cb -0.15 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3hmj s LEU 1239CO 0.09 0.22 -0.06 -0.31 0.23 0.00 0.00 176.35 176.52 3hmj s TYR 1240N 0.04 1.22 -0.39 0.29 1.51 -0.17 -0.01 117.35 119.85 3hmj s TYR 1240Ca -0.04 -0.53 -0.28 0.00 -1.01 0.00 0.00 57.07 55.21 3hmj s TYR 1240Cb -0.14 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3hmj s TYR 1240CO 0.04 -0.40 1.69 -0.80 -1.11 0.00 0.00 175.55 174.98 3hmj s ASN 1241N 1.50 5.95 0.03 2.29 0.01 0.46 0.47 114.94 125.64 3hmj s ASN 1241Ca -0.00 1.05 -0.22 0.00 -0.71 0.00 0.00 52.86 52.98 3hmj s ASN 1241Cb -0.13 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 38.94 3hmj s ASN 1241CO -0.05 -1.70 0.65 0.12 -1.51 0.00 0.00 177.10 174.61 3hmj s PHE 1242N 6.70 3.72 -0.29 2.20 5.36 -1.19 -1.44 117.98 133.04 3hmj s PHE 1242Ca 0.73 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 58.02 3hmj s PHE 1242Cb -0.19 -2.66 0.16 0.00 -0.34 0.00 0.00 43.02 39.99 3hmj s PHE 1242CO 0.32 0.37 0.40 1.21 -1.46 0.00 0.00 175.22 176.06 3hmj s ASN 1243N -0.31 0.50 0.00 6.13 3.84 -0.78 -4.82 114.94 119.50 3hmj s ASN 1243Ca 0.33 -0.47 0.17 0.00 0.21 0.00 0.00 52.86 53.10 3hmj s ASN 1243Cb -0.19 1.04 0.87 0.00 -0.55 0.00 0.00 41.25 42.42 3hmj s ASN 1243CO 0.19 -0.35 1.50 -2.65 -2.79 0.00 0.00 177.10 173.00 3hmj n PRO 1244N 5.29 0.26 0.20 0.43 -0.02 -1.26 -2.59 135.00 137.31 3hmj n PRO 1244Ca 0.01 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3hmj n PRO 1244Cb 0.49 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.75 3hmj n PRO 1244CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hmj h ASP 1245N 0.00 0.00 -3.66 2.55 5.19 -1.96 -3.37 116.42 115.18 3hmj h ASP 1245Ca 0.00 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.68 3hmj h ASP 1245Cb 0.15 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 39.33 3hmj h ASP 1245CO 0.00 0.00 -0.06 0.21 -3.12 0.00 0.00 179.24 176.27 3hmj s ASN 1246N -5.78 6.08 0.55 6.45 3.04 -1.07 -4.94 114.94 119.28 3hmj s ASN 1246Ca 0.07 -3.35 0.28 0.00 0.04 0.00 0.00 52.86 49.90 3hmj s ASN 1246Cb 0.07 -1.98 1.45 0.00 -1.54 0.00 0.00 41.25 39.25 3hmj s ASN 1246CO 0.63 -0.30 1.95 1.23 -3.04 0.00 0.00 177.10 177.58 3hmj h GLY 1247N 6.60 0.00 1.23 1.21 0.00 -1.72 -1.95 103.07 108.43 3hmj h GLY 1247Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.15 3hmj h GLY 1247CO 0.82 0.00 -1.54 -2.75 0.00 0.00 0.00 176.54 173.07 3hmj h PHE 1248N 0.00 0.24 -2.03 5.60 3.57 -1.82 -3.39 116.94 119.11 3hmj h PHE 1248Ca 0.29 -0.18 -0.54 0.00 3.53 0.00 0.00 57.97 61.07 3hmj h PHE 1248Cb 1.23 -0.01 -0.40 0.00 2.79 0.00 0.00 35.95 39.57 3hmj h PHE 1248CO 0.00 1.24 -1.07 0.00 -2.23 0.00 0.00 178.31 176.25 3hmj n ALA 1249N -2.61 2.53 -0.25 2.41 0.00 -0.96 -4.91 120.51 116.72 3hmj n ALA 1249Ca -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 53.44 49.67 3hmj n ALA 1249Cb 1.03 -0.85 0.07 0.00 0.00 0.00 0.00 19.45 19.70 3hmj n ALA 1249CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hmj h PRO 1250N 3.64 0.87 -5.36 0.00 0.11 -1.58 -3.41 132.00 126.27 3hmj h PRO 1250Ca 0.09 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.53 3hmj h PRO 1250Cb 0.87 -0.20 -0.13 0.00 0.11 0.00 0.00 31.00 31.66 3hmj h PRO 1250CO 0.52 0.58 -0.01 0.42 -0.21 0.00 0.00 178.00 179.29 3hmj s ILE 1251N -6.13 5.07 0.08 4.15 1.01 -1.26 -1.87 121.20 122.26 3hmj s ILE 1251Ca -0.13 0.89 0.07 0.00 0.00 0.00 0.00 60.65 61.48 3hmj s ILE 1251Cb 0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3hmj s ILE 1251CO 0.77 0.09 -0.18 -0.94 0.00 0.00 0.00 174.94 174.68 3hmj s SER 1252N 1.52 2.14 0.03 3.58 1.04 -0.52 -2.43 113.70 119.06 3hmj s SER 1252Ca 0.21 -0.64 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 3hmj s SER 1252Cb -0.16 -0.11 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 3hmj s SER 1252CO 0.09 0.01 0.63 -0.70 0.98 0.00 0.00 173.24 174.25 3hmj s GLU 1253N -1.76 4.34 -0.34 4.02 2.12 -0.26 0.17 118.70 126.99 3hmj s GLU 1253Ca 0.03 0.81 -0.28 0.00 0.36 0.00 0.00 54.97 55.89 3hmj s GLU 1253Cb -0.10 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3hmj s GLU 1253CO 0.03 0.42 1.71 0.08 -0.54 0.00 0.00 175.26 176.96 3hmj s VAL 1254N -0.39 3.57 -0.10 3.70 1.01 0.99 -4.81 120.40 124.37 3hmj s VAL 1254Ca 0.32 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.93 3hmj s VAL 1254Cb -0.19 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 3hmj s VAL 1254CO 0.19 -0.48 0.43 0.23 0.00 0.00 0.00 175.10 175.47 3hmj n MET 1255N 8.34 0.69 -1.54 2.72 0.00 -1.26 -4.61 117.12 121.46 3hmj n MET 1255Ca 0.21 0.25 -0.40 0.00 0.00 0.00 0.00 57.70 57.76 3hmj n MET 1255Cb 0.47 -1.72 -0.05 0.00 0.00 0.00 0.00 33.22 31.92 3hmj n MET 1255CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3hmj n GLU 1256N -3.21 1.12 -0.53 0.03 1.02 -1.26 -0.63 120.64 117.19 3hmj n GLU 1256Ca -0.26 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3hmj n GLU 1256Cb 1.06 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 3hmj n GLU 1256CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hmj n ASP 1257N 13.62 -1.58 -0.10 1.62 8.00 -1.26 -4.95 116.55 131.90 3hmj n ASP 1257Ca 0.39 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 3hmj n ASP 1257Cb 0.42 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3hmj n ASP 1257CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hmj h ARG 1258N 0.04 0.76 -0.74 -1.24 2.43 -1.12 -2.77 114.38 111.74 3hmj h ARG 1258Ca 0.00 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3hmj h ARG 1258Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3hmj h ARG 1258CO 0.00 1.01 0.24 -0.91 -1.51 0.00 0.00 179.97 178.80 3hmj h ASN 1259N 0.53 1.06 -0.91 -3.80 2.35 -1.89 -2.86 115.58 110.05 3hmj h ASN 1259Ca 0.05 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3hmj h ASN 1259Cb 0.86 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 3hmj h ASN 1259CO 0.07 0.98 0.61 1.56 -1.65 0.00 0.00 177.43 179.00 3hmj h GLN 1260N 1.09 1.20 -0.48 0.81 4.20 -1.88 0.03 115.11 120.09 3hmj h GLN 1260Ca 0.24 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3hmj h GLN 1260Cb 0.29 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3hmj h GLN 1260CO -0.01 0.79 -0.03 0.00 -0.67 0.00 0.00 178.83 178.91 3hmj h ARG 1261N 1.24 0.86 -0.47 1.46 3.08 -1.33 -0.74 114.38 118.47 3hmj h ARG 1261Ca 0.34 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3hmj h ARG 1261Cb -0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3hmj h ARG 1261CO -0.07 0.92 0.01 0.82 -1.07 0.00 0.00 179.97 180.58 3hmj h ILE 1262N 0.71 1.26 -0.97 2.04 2.04 -1.27 -2.62 117.51 118.70 3hmj h ILE 1262Ca 0.13 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.97 3hmj h ILE 1262Cb 0.55 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 3hmj h ILE 1262CO 0.03 0.36 0.64 0.11 0.00 0.00 0.00 178.15 179.29 3hmj h LYS 1263N 0.68 1.25 -0.32 2.37 1.57 -0.89 -2.44 116.57 118.79 3hmj h LYS 1263Ca 0.13 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3hmj h LYS 1263Cb 0.49 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hmj h LYS 1263CO 0.02 0.83 0.00 1.49 -0.57 0.00 0.00 179.45 181.22 3hmj h GLU 1264N 1.29 0.48 0.06 3.15 4.81 -0.77 -0.28 114.58 123.32 3hmj h GLU 1264Ca 0.37 -0.10 -0.24 0.00 -0.13 0.00 0.00 59.36 59.26 3hmj h GLU 1264Cb -0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3hmj h GLU 1264CO -0.09 0.51 -1.08 1.98 -0.73 0.00 0.00 179.01 179.60 3hmj h MET 1265N 0.47 0.18 -0.28 1.92 4.05 -1.29 -2.85 114.93 117.13 3hmj h MET 1265Ca 0.10 -0.28 -0.13 0.00 -0.28 0.00 0.00 59.70 59.11 3hmj h MET 1265Cb 0.30 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3hmj h MET 1265CO 0.01 1.09 -0.38 1.88 0.23 0.00 0.00 176.91 179.74 3hmj h TYR 1266N 0.07 0.76 -0.48 1.39 -1.99 -1.11 -3.00 116.97 112.60 3hmj h TYR 1266Ca -0.08 -0.21 0.01 0.00 2.00 0.00 0.00 58.73 60.45 3hmj h TYR 1266Cb 1.79 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 40.33 3hmj h TYR 1266CO 0.04 0.92 0.30 2.35 -0.00 0.00 0.00 178.16 181.78 3hmj h TRP 1267N 0.53 0.57 0.00 4.88 2.91 -0.97 -0.04 115.95 123.83 3hmj h TRP 1267Ca 0.05 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 3hmj h TRP 1267Cb 0.90 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.35 3hmj h TRP 1267CO 0.04 0.34 -0.12 0.87 -1.03 0.00 0.00 178.44 178.54 3hmj h LYS 1268N 0.61 0.00 0.00 2.65 1.57 -1.44 0.21 116.57 120.17 3hmj h LYS 1268Ca 0.18 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.70 3hmj h LYS 1268Cb -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3hmj h LYS 1268CO -0.06 0.12 -1.61 -0.07 -0.57 0.00 0.00 179.45 177.26 3hmj h LEU 1269N 0.00 0.00 0.00 2.94 3.38 -1.21 -3.42 115.31 117.00 3hmj h LEU 1269Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3hmj h LEU 1269Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3hmj h LEU 1269CO 0.02 0.90 -2.27 0.79 0.09 0.00 0.00 178.44 177.97 3hmj n TRP 1270N -3.02 0.00 -3.85 1.13 8.01 -0.10 -4.62 117.44 114.99 3hmj n TRP 1270Ca -0.15 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.69 3hmj n TRP 1270Cb 1.00 -0.85 -0.11 0.00 -2.01 0.00 0.00 31.31 29.33 3hmj n TRP 1270CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3hmj s ILE 1271N -2.44 4.56 -1.24 -0.99 -1.09 0.72 -4.88 121.20 115.84 3hmj s ILE 1271Ca -0.30 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 57.94 3hmj s ILE 1271Cb 0.08 -3.11 0.20 0.00 -1.58 0.00 0.00 42.46 38.05 3hmj s ILE 1271CO 0.50 0.37 1.82 -0.67 -1.23 0.00 0.00 174.94 175.73 3hmj n ASP 1272N 4.44 5.51 -3.17 3.58 2.03 -1.26 -4.59 116.55 123.09 3hmj n ASP 1272Ca -0.16 -3.18 -0.10 0.00 0.52 0.00 0.00 54.79 51.86 3hmj n ASP 1272Cb 0.52 -1.43 -0.00 0.00 -0.72 0.00 0.00 41.12 39.49 3hmj n ASP 1272CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hmj s GLU 1273N -0.41 2.07 0.29 -0.67 2.02 -1.26 -5.15 118.70 115.59 3hmj s GLU 1273Ca 0.38 -1.47 -0.28 0.00 0.02 0.00 0.00 54.97 53.63 3hmj s GLU 1273Cb 0.09 0.57 -0.09 0.00 0.10 0.00 0.00 34.13 34.80 3hmj s GLU 1273CO 0.02 -0.94 0.99 -2.14 0.02 0.00 0.00 175.26 173.22 3hmj s PRO 1274N -2.76 4.64 -0.87 0.39 0.02 -1.26 -4.95 135.00 130.21 3hmj s PRO 1274Ca 0.19 1.52 -0.25 0.00 0.02 0.00 0.00 61.00 62.48 3hmj s PRO 1274Cb -0.04 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 3hmj s PRO 1274CO 0.13 0.29 2.11 0.12 -0.33 0.00 0.00 177.00 179.33 3hmj s PHE 1275N -1.36 1.57 -0.26 6.54 5.36 -1.26 -4.90 117.98 123.66 3hmj s PHE 1275Ca 0.47 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 3hmj s PHE 1275Cb -0.25 -3.82 0.07 0.00 -0.34 0.00 0.00 43.02 38.68 3hmj s PHE 1275CO 0.31 -1.67 -0.03 1.21 -1.46 0.00 0.00 175.22 173.58 3hmj s ASN 1276N 9.04 4.07 -0.55 6.13 2.47 -1.26 -5.00 114.94 129.85 3hmj s ASN 1276Ca 0.78 -1.38 -0.02 0.00 0.42 0.00 0.00 52.86 52.66 3hmj s ASN 1276Cb -0.09 -1.26 0.33 0.00 -1.45 0.00 0.00 41.25 38.78 3hmj s ASN 1276CO 0.02 -0.27 2.08 0.18 -3.72 0.00 0.00 177.10 175.40 3hmj n LEU 1277N 4.60 7.18 -2.41 3.21 4.77 -1.26 -4.58 117.00 128.51 3hmj n LEU 1277Ca -0.09 -3.97 -0.26 0.00 -0.03 0.00 0.00 56.01 51.66 3hmj n LEU 1277Cb 0.43 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3hmj n LEU 1277CO 0.18 1.43 0.18 -0.67 -1.33 0.00 0.00 177.39 177.18 3hmj n ASP 1278N -0.32 4.65 -4.89 -1.43 2.03 -1.26 -2.62 116.55 112.72 3hmj n ASP 1278Ca 0.50 -3.69 -0.30 0.00 0.52 0.00 0.00 54.79 51.82 3hmj n ASP 1278Cb 0.59 -0.44 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 3hmj n ASP 1278CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3hmj s PHE 1279N -3.54 3.46 -0.34 -0.67 0.08 -1.26 -5.04 117.98 110.67 3hmj s PHE 1279Ca 0.48 0.70 -0.22 0.00 0.12 0.00 0.00 56.93 58.02 3hmj s PHE 1279Cb 0.40 -2.14 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3hmj s PHE 1279CO -0.14 0.23 0.70 0.34 -0.10 0.00 0.00 175.22 176.25 3hmj s ASP 1280N -2.84 6.52 0.65 1.36 2.15 -1.26 -4.63 116.67 118.62 3hmj s ASP 1280Ca 0.45 0.37 0.24 0.00 0.43 0.00 0.00 52.55 54.04 3hmj s ASP 1280Cb -0.11 -2.36 1.25 0.00 -0.30 0.00 0.00 42.92 41.40 3hmj s ASP 1280CO 0.27 -0.61 1.71 -0.65 -0.17 0.00 0.00 175.17 175.72 3hmj h PRO 1281N 8.33 0.00 -0.01 4.34 0.11 -1.97 0.67 132.00 143.48 3hmj h PRO 1281Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hmj h PRO 1281Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hmj h PRO 1281CO 0.86 0.00 -0.21 0.54 -0.21 0.00 0.00 178.00 178.98 3hmj n ARG 1282N -3.02 0.71 -3.15 1.05 1.74 -1.26 -4.58 116.66 108.15 3hmj n ARG 1282Ca 0.02 -0.35 -0.37 0.00 -0.77 0.00 0.00 57.85 56.38 3hmj n ARG 1282Cb 0.63 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 3hmj n ARG 1282CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hmj s ASP 1283N -2.53 7.07 0.33 0.55 1.01 0.23 -4.97 116.67 118.37 3hmj s ASP 1283Ca 0.25 1.37 -0.29 0.00 0.71 0.00 0.00 52.55 54.59 3hmj s ASP 1283Cb 0.19 -2.40 -0.11 0.00 1.01 0.00 0.00 42.92 41.62 3hmj s ASP 1283CO 0.51 0.11 1.45 -0.69 0.21 0.00 0.00 175.17 176.76 3hmj s VAL 1284N -1.39 2.33 -0.32 -1.27 1.01 -1.26 -4.77 120.40 114.72 3hmj s VAL 1284Ca 0.39 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 3hmj s VAL 1284Cb -0.18 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3hmj s VAL 1284CO 0.21 0.06 0.18 -0.63 0.00 0.00 0.00 175.10 174.93 3hmj s ILE 1285N -0.73 4.81 0.21 2.22 1.01 -0.95 -5.00 121.20 122.77 3hmj s ILE 1285Ca 0.55 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 3hmj s ILE 1285Cb -0.44 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 3hmj s ILE 1285CO 0.54 0.02 0.75 -0.54 0.00 0.00 0.00 174.94 175.71 3hmj s LYS 1286N 1.64 4.35 0.00 2.79 1.02 -1.26 -0.82 119.74 127.46 3hmj s LYS 1286Ca 0.05 0.97 0.00 0.00 0.02 0.00 0.00 55.97 57.01 3hmj s LYS 1286Cb -0.17 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3hmj s LYS 1286CO 0.08 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 3hmj n GLY 1287N 0.94 0.76 3.06 -3.33 0.00 0.83 -4.90 105.19 102.55 3hmj n GLY 1287Ca -0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3hmj n GLY 1287CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmj s LYS 1288N 2.53 0.52 0.71 1.61 1.02 -1.26 -4.94 119.74 119.93 3hmj s LYS 1288Ca 0.00 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 54.93 3hmj s LYS 1288Cb 0.00 -0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.34 3hmj s LYS 1288CO 0.00 -0.04 1.12 -0.51 -0.92 0.00 0.00 175.35 175.01 3hmj s ASP 1289N -2.12 4.68 -0.24 2.83 1.01 -1.26 -4.05 116.67 117.51 3hmj s ASP 1289Ca -0.04 2.03 -0.04 0.00 0.71 0.00 0.00 52.55 55.22 3hmj s ASP 1289Cb -0.03 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.48 3hmj s ASP 1289CO -0.04 -1.92 0.42 0.12 0.21 0.00 0.00 175.17 173.96 3hmj s PHE 1290N -2.42 -0.93 -0.12 4.23 5.36 -0.89 -4.92 117.98 118.30 3hmj s PHE 1290Ca 0.67 1.15 -0.17 0.00 -0.96 0.00 0.00 56.93 57.62 3hmj s PHE 1290Cb -0.21 0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 3hmj s PHE 1290CO 0.46 -0.68 0.45 -2.00 -1.46 0.00 0.00 175.22 172.00 3hmj s GLU 1291N 2.61 4.32 -0.67 10.12 2.12 -1.26 -0.80 118.70 135.13 3hmj s GLU 1291Ca 0.10 0.40 -0.25 0.00 0.36 0.00 0.00 54.97 55.58 3hmj s GLU 1291Cb -0.14 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.87 3hmj s GLU 1291CO -0.16 0.19 1.10 0.42 -0.54 0.00 0.00 175.26 176.27 3hmj s ILE 1292N 0.54 4.08 0.58 -3.70 1.01 -0.93 -5.02 121.20 117.76 3hmj s ILE 1292Ca 0.25 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 3hmj s ILE 1292Cb -0.15 -4.76 -0.04 0.00 0.01 0.00 0.00 42.46 37.52 3hmj s ILE 1292CO 0.09 -1.56 1.10 0.28 0.00 0.00 0.00 174.94 174.86 3hmj s THR 1293N 4.75 3.40 0.53 2.92 -1.32 -1.26 -4.36 115.64 120.29 3hmj s THR 1293Ca 0.30 0.77 0.20 0.00 -1.21 0.00 0.00 61.69 61.74 3hmj s THR 1293Cb -0.12 -3.28 0.32 0.00 -1.51 0.00 0.00 72.50 67.91 3hmj s THR 1293CO 0.14 -0.29 2.10 0.00 -2.21 0.00 0.00 174.62 174.36 3hmj h ALA 1294N 0.77 2.13 0.00 11.08 0.00 -1.95 -2.82 119.26 128.47 3hmj h ALA 1294Ca -0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 3hmj h ALA 1294Cb 1.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3hmj h ALA 1294CO 0.56 -0.23 -1.61 1.63 0.00 0.00 0.00 179.25 179.61 3hmj n LYS 1295N -4.42 0.63 0.01 0.00 5.02 -1.26 -2.82 118.16 115.32 3hmj n LYS 1295Ca 0.01 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 3hmj n LYS 1295Cb 0.27 -1.73 0.37 0.00 -0.02 0.00 0.00 35.03 33.91 3hmj n LYS 1295CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hmj h GLU 1296N 0.00 0.51 -0.06 1.97 5.08 -1.88 -1.46 114.58 118.74 3hmj h GLU 1296Ca -0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3hmj h GLU 1296Cb 1.58 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 3hmj h GLU 1296CO 0.04 0.44 -0.05 0.28 -1.00 0.00 0.00 179.01 178.72 3hmj h VAL 1297N 0.51 1.35 -0.76 3.13 2.07 -1.57 -1.73 116.25 119.26 3hmj h VAL 1297Ca 0.12 -1.14 0.15 0.00 0.82 0.00 0.00 66.70 66.65 3hmj h VAL 1297Cb 0.14 1.99 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 3hmj h VAL 1297CO -0.01 0.31 0.29 0.22 0.02 0.00 0.00 177.57 178.40 3hmj h TYR 1298N -0.28 0.48 -0.28 1.57 5.03 -1.32 -0.45 116.97 121.72 3hmj h TYR 1298Ca 0.01 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 3hmj h TYR 1298Cb 0.52 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 3hmj h TYR 1298CO 0.08 0.03 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.48 3hmj h ASP 1299N 0.41 0.51 0.17 -2.11 3.32 -1.25 -2.06 116.42 115.42 3hmj h ASP 1299Ca 0.42 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3hmj h ASP 1299Cb 0.67 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3hmj h ASP 1299CO -0.43 0.73 -0.08 0.15 -1.72 0.00 0.00 179.24 177.89 3hmj h PHE 1300N 0.28 -0.22 -0.62 4.55 3.04 -0.86 -0.79 116.94 122.33 3hmj h PHE 1300Ca 0.07 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.13 3hmj h PHE 1300Cb 0.49 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.99 3hmj h PHE 1300CO 0.04 0.13 0.18 1.79 -2.02 0.00 0.00 178.31 178.44 3hmj h THR 1301N -0.60 0.68 0.00 4.41 1.35 -1.15 -0.97 112.91 116.63 3hmj h THR 1301Ca -0.02 -0.11 -0.06 0.00 -0.55 0.00 0.00 66.41 65.66 3hmj h THR 1301Cb 0.44 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3hmj h THR 1301CO 0.04 0.06 -0.29 0.45 -0.25 0.00 0.00 175.52 175.53 3hmj h HIS 1302N 0.33 0.00 -0.20 4.73 3.86 -1.34 0.18 115.15 122.71 3hmj h HIS 1302Ca 0.32 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 3hmj h HIS 1302Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3hmj h HIS 1302CO -0.21 0.29 -0.29 0.00 0.86 0.00 0.00 177.93 178.58 3hmj h ALA 1303N 1.71 0.30 0.00 2.45 0.00 0.19 -3.23 119.26 120.68 3hmj h ALA 1303Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hmj h ALA 1303Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hmj h ALA 1303CO 0.04 0.31 -0.73 1.33 0.00 0.00 0.00 179.25 180.19 3hmj n VAL 1304N -4.36 0.22 -1.85 0.00 0.24 -0.81 -4.68 118.33 107.09 3hmj n VAL 1304Ca -0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3hmj n VAL 1304Cb 0.46 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3hmj n VAL 1304CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hmj n GLY 1305N 1.38 0.51 3.15 7.63 0.00 0.27 -4.51 105.19 113.63 3hmj n GLY 1305Ca 0.03 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3hmj n GLY 1305CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hmj s ASN 1306N -2.93 5.48 -0.36 1.61 3.84 0.38 -4.97 114.94 117.99 3hmj s ASN 1306Ca 0.00 -2.40 -0.02 0.00 0.21 0.00 0.00 52.86 50.65 3hmj s ASN 1306Cb 0.00 -1.91 0.19 0.00 -0.55 0.00 0.00 41.25 38.98 3hmj s ASN 1306CO 0.00 -0.51 2.19 0.59 -2.79 0.00 0.00 177.10 176.58 3hmj n ASN 1307N 4.16 6.54 -4.73 -4.21 3.02 -1.26 -4.72 115.26 114.05 3hmj n ASN 1307Ca 0.02 -3.13 -0.41 0.00 -0.03 0.00 0.00 54.58 51.03 3hmj n ASN 1307Cb 0.40 -1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 3hmj n ASN 1307CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmj h GLU 1309N 5.73 0.00 0.00 0.00 4.81 -1.92 -2.21 114.58 120.99 3hmj h GLU 1309Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3hmj h GLU 1309Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hmj h GLU 1309CO 0.73 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.76 3hmj n ASP 1310N -2.60 0.41 -0.03 1.04 8.00 -1.26 -2.79 116.55 119.32 3hmj n ASP 1310Ca 0.00 0.59 0.03 0.00 0.71 0.00 0.00 54.79 56.12 3hmj n ASP 1310Cb 0.18 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 3hmj n ASP 1310CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hmj n PHE 1311N -1.94 0.00 -3.38 1.24 3.72 -0.83 -1.62 117.46 114.65 3hmj n PHE 1311Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 3hmj n PHE 1311Cb 0.22 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 3hmj n PHE 1311CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hmj s VAL 1312N -1.44 5.21 -0.15 -4.37 1.01 -1.12 -4.74 120.40 114.80 3hmj s VAL 1312Ca 0.03 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3hmj s VAL 1312Cb 0.05 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3hmj s VAL 1312CO 0.22 0.35 2.13 -0.24 0.00 0.00 0.00 175.10 177.56 3hmj n SER 1313N 3.58 3.40 -4.33 3.32 2.88 -1.26 -4.92 113.62 116.30 3hmj n SER 1313Ca -0.09 0.46 -0.28 0.00 -1.33 0.00 0.00 58.87 57.64 3hmj n SER 1313Cb 0.52 -1.51 -0.14 0.00 -0.75 0.00 0.00 64.21 62.33 3hmj n SER 1313CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hmj s ARG 1314N 5.68 1.58 -0.04 -1.46 1.81 -1.26 -5.11 118.95 120.15 3hmj s ARG 1314Ca 0.98 -1.11 -0.35 0.00 -1.72 0.00 0.00 55.73 53.52 3hmj s ARG 1314Cb -0.44 -1.81 -0.13 0.00 -0.45 0.00 0.00 34.95 32.12 3hmj s ARG 1314CO 0.40 0.46 1.73 -0.35 -0.68 0.00 0.00 175.30 176.85 3hmj n PRO 1315N 1.60 1.90 -2.72 3.54 -0.04 -1.26 -3.05 135.00 134.97 3hmj n PRO 1315Ca -0.17 0.69 -0.07 0.00 -0.04 0.00 0.00 63.50 63.91 3hmj n PRO 1315Cb 0.53 -2.47 0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3hmj n PRO 1315CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hmj n ASP 1316N 5.22 -2.97 -3.63 3.54 8.00 -1.26 -5.05 116.55 120.40 3hmj n ASP 1316Ca 0.21 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 3hmj n ASP 1316Cb 0.25 -1.90 -0.07 0.00 -0.02 0.00 0.00 41.12 39.38 3hmj n ASP 1316CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hmj s ARG 1317N -5.12 0.73 0.23 -1.24 3.52 -1.17 -5.16 118.95 110.75 3hmj s ARG 1317Ca 0.13 0.99 -0.25 0.00 -0.13 0.00 0.00 55.73 56.46 3hmj s ARG 1317Cb -0.06 0.29 -0.09 0.00 -1.56 0.00 0.00 34.95 33.54 3hmj s ARG 1317CO 0.22 -0.11 0.84 0.95 -0.81 0.00 0.00 175.30 176.40 3hmj s THR 1318N 0.76 4.31 0.18 4.11 -4.23 -1.26 -4.58 115.64 114.93 3hmj s THR 1318Ca -0.03 1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 61.90 3hmj s THR 1318Cb -0.05 -4.08 -0.08 0.00 1.34 0.00 0.00 72.50 69.63 3hmj s THR 1318CO -0.07 0.35 1.22 -0.04 -0.54 0.00 0.00 174.62 175.55 3hmj s MET 1319N -1.57 4.47 0.06 3.99 1.00 -1.26 -4.96 119.30 121.03 3hmj s MET 1319Ca 0.42 1.90 0.00 0.00 0.00 0.00 0.00 55.69 58.01 3hmj s MET 1319Cb -0.21 -3.24 -0.04 0.00 0.00 0.00 0.00 34.83 31.34 3hmj s MET 1319CO 0.26 -0.13 0.20 -1.17 0.00 0.00 0.00 175.02 174.18 3hmj s LEU 1320N -0.11 4.33 -0.11 -0.03 2.96 -0.64 -0.83 118.68 124.24 3hmj s LEU 1320Ca 0.54 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 3hmj s LEU 1320Cb -0.33 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 3hmj s LEU 1320CO 0.36 0.17 0.03 0.00 -1.32 0.00 0.00 176.35 175.59 3hmj s ALA 1321N -1.50 3.37 0.41 5.97 0.00 0.46 -4.26 121.76 126.21 3hmj s ALA 1321Ca 0.35 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 3hmj s ALA 1321Cb -0.13 -1.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.25 3hmj s ALA 1321CO 0.27 0.48 1.46 -2.14 0.00 0.00 0.00 175.76 175.84 3hmj s PRO 1322N -0.56 3.93 0.60 0.00 0.02 -1.26 -4.11 135.00 133.61 3hmj s PRO 1322Ca 0.10 2.50 0.30 0.00 0.02 0.00 0.00 61.00 63.93 3hmj s PRO 1322Cb -0.12 -2.83 1.79 0.00 0.02 0.00 0.00 34.50 33.35 3hmj s PRO 1322CO 0.02 -0.65 2.18 0.00 -0.33 0.00 0.00 177.00 178.22 3hmj h MET 1323N 2.71 0.00 -0.65 5.54 -0.00 -1.96 0.35 114.93 120.91 3hmj h MET 1323Ca -0.51 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 59.33 3hmj h MET 1323Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.81 3hmj h MET 1323CO 0.63 0.00 0.45 -0.44 -0.00 0.00 0.00 176.91 177.54 3hmj h ASP 1324N 0.00 0.26 0.31 -0.10 3.32 -1.99 -1.95 116.42 116.27 3hmj h ASP 1324Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hmj h ASP 1324Cb 0.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hmj h ASP 1324CO -0.00 0.14 0.00 0.15 -1.72 0.00 0.00 179.24 177.81 3hmj h PHE 1325N 0.28 0.00 -0.87 4.55 3.57 -0.65 -2.42 116.94 121.41 3hmj h PHE 1325Ca 0.31 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.94 3hmj h PHE 1325Cb 0.85 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 3hmj h PHE 1325CO -0.00 0.00 0.56 0.00 -2.23 0.00 0.00 178.31 176.64 3hmj h ALA 1326N 2.08 1.81 -0.12 2.41 0.00 -1.50 -1.58 119.26 122.37 3hmj h ALA 1326Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hmj h ALA 1326Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hmj h ALA 1326CO 0.00 -0.03 -0.34 0.97 0.00 0.00 0.00 179.25 179.85 3hmj h ILE 1327N 0.71 1.28 -0.58 0.00 6.09 -1.66 0.29 117.51 123.63 3hmj h ILE 1327Ca 0.42 -1.35 -0.09 0.00 -1.37 0.00 0.00 64.86 62.48 3hmj h ILE 1327Cb 0.64 1.58 -0.02 0.00 0.47 0.00 0.00 36.82 39.48 3hmj h ILE 1327CO -0.19 0.40 0.03 1.62 -3.07 0.00 0.00 178.15 176.95 3hmj h VAL 1328N 0.20 1.26 0.04 2.19 3.04 -1.46 -0.44 116.25 121.08 3hmj h VAL 1328Ca 0.02 -1.08 -0.00 0.00 -1.01 0.00 0.00 66.70 64.63 3hmj h VAL 1328Cb 0.71 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3hmj h VAL 1328CO 0.05 0.39 -0.02 0.58 -1.01 0.00 0.00 177.57 177.57 3hmj h VAL 1329N 0.92 1.35 -0.00 1.51 2.07 -1.19 -3.35 116.25 117.56 3hmj h VAL 1329Ca 0.17 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3hmj h VAL 1329Cb 0.50 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3hmj h VAL 1329CO 0.02 0.36 -0.18 0.61 0.02 0.00 0.00 177.57 178.41 3hmj n GLY 1330N 0.71 -1.05 0.33 2.17 0.00 0.05 -4.40 105.19 103.00 3hmj n GLY 1330Ca -0.09 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.76 3hmj n GLY 1330CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3hmj h TRP 1331N 0.45 0.94 0.02 1.61 2.91 -1.21 0.53 115.95 121.20 3hmj h TRP 1331Ca 0.00 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 59.82 3hmj h TRP 1331Cb 0.42 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 3hmj h TRP 1331CO 0.00 0.23 -1.00 0.00 -1.03 0.00 0.00 178.44 176.64 3hmj h ARG 1332N 0.72 0.40 -0.43 2.65 3.08 -1.85 -1.16 114.38 117.78 3hmj h ARG 1332Ca 0.52 -0.47 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3hmj h ARG 1332Cb 0.75 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3hmj h ARG 1332CO -0.37 1.13 -0.30 0.00 -1.07 0.00 0.00 179.97 179.37 3hmj h ALA 1333N 0.70 0.62 0.28 0.04 0.00 -1.60 -3.03 119.26 116.26 3hmj h ALA 1333Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hmj h ALA 1333Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hmj h ALA 1333CO 0.17 0.67 -0.13 0.82 0.00 0.00 0.00 179.25 180.78 3hmj h ILE 1334N 0.81 0.47 -0.52 0.00 2.04 -0.92 -3.31 117.51 116.08 3hmj h ILE 1334Ca 0.08 -0.86 0.11 0.00 1.00 0.00 0.00 64.86 65.19 3hmj h ILE 1334Cb 0.89 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3hmj h ILE 1334CO 0.08 0.12 0.36 0.40 0.00 0.00 0.00 178.15 179.11 3hmj h ILE 1335N -0.98 0.85 -0.47 -0.67 1.08 -1.33 0.88 117.51 116.87 3hmj h ILE 1335Ca -0.04 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.49 3hmj h ILE 1335Cb 0.48 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3hmj h ILE 1335CO 0.06 0.04 0.40 0.50 -0.69 0.00 0.00 178.15 178.47 3hmj h LYS 1336N 0.23 0.00 0.00 2.37 3.64 -1.61 -2.47 116.57 118.73 3hmj h LYS 1336Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3hmj h LYS 1336Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3hmj h LYS 1336CO -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.13 3hmj h ALA 1337N 1.63 1.00 -0.66 5.00 0.00 -0.96 -2.12 119.26 123.14 3hmj h ALA 1337Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hmj h ALA 1337Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hmj h ALA 1337CO -0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3hmj n ILE 1338N -2.86 1.33 -0.09 0.00 -5.35 -0.93 -4.58 119.36 106.88 3hmj n ILE 1338Ca 0.00 -1.03 -0.15 0.00 -0.27 0.00 0.00 62.75 61.30 3hmj n ILE 1338Cb 0.23 0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 38.28 3hmj n ILE 1338CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hmj n PHE 1339N 1.33 0.25 -1.07 4.28 3.01 -0.80 -4.81 117.46 119.65 3hmj n PHE 1339Ca 0.24 0.06 -0.36 0.00 1.01 0.00 0.00 57.45 58.40 3hmj n PHE 1339Cb 0.72 -1.04 0.05 0.00 -0.01 0.00 0.00 39.48 39.21 3hmj n PHE 1339CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3hmj n PRO 1340N -3.13 0.01 0.10 -1.08 -0.02 -1.26 -4.83 135.00 124.79 3hmj n PRO 1340Ca -0.38 0.02 -0.01 0.00 -2.02 0.00 0.00 63.50 61.11 3hmj n PRO 1340Cb 1.05 -1.28 0.27 0.00 -0.02 0.00 0.00 33.50 33.52 3hmj n PRO 1340CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3hmj h ASN 1341N -0.77 0.24 0.59 2.55 -0.26 -1.76 -2.27 115.58 113.90 3hmj h ASN 1341Ca -0.44 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 3hmj h ASN 1341Cb 1.34 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3hmj h ASN 1341CO 0.32 0.57 0.00 0.71 -1.06 0.00 0.00 177.43 177.97 3hmj h THR 1342N 0.21 0.00 -2.32 2.81 1.35 -1.87 -2.92 112.91 110.17 3hmj h THR 1342Ca 0.03 -0.22 -0.65 0.00 -0.55 0.00 0.00 66.41 65.01 3hmj h THR 1342Cb 0.69 0.98 -0.38 0.00 -1.73 0.00 0.00 68.15 67.72 3hmj h THR 1342CO 0.05 0.00 -0.18 0.55 -0.25 0.00 0.00 175.52 175.69 3hmj n VAL 1343N -2.49 3.70 -2.10 6.82 3.14 -0.85 -4.82 118.33 121.74 3hmj n VAL 1343Ca 0.01 -5.61 -0.43 0.00 -2.96 0.00 0.00 64.34 55.35 3hmj n VAL 1343Cb 0.19 -1.66 -0.03 0.00 -1.06 0.00 0.00 33.84 31.29 3hmj n VAL 1343CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hmj s ASP 1344N -2.69 6.38 0.05 6.55 2.15 -1.11 -4.68 116.67 123.33 3hmj s ASP 1344Ca 0.43 1.65 -0.01 0.00 0.43 0.00 0.00 52.55 55.05 3hmj s ASP 1344Cb 0.21 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 3hmj s ASP 1344CO -0.08 -1.26 -0.03 -0.83 -0.17 0.00 0.00 175.17 172.80 3hmj s GLY 1345N 4.25 0.48 -0.60 2.66 0.00 -1.26 -5.10 107.32 107.75 3hmj s GLY 1345Ca 0.72 -1.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 3hmj s GLY 1345CO 0.29 -1.32 0.78 -0.35 0.00 0.00 0.00 173.10 172.50 3hmj s ASP 1346N -2.92 6.19 0.24 1.64 -1.08 -1.26 -4.87 116.67 114.61 3hmj s ASP 1346Ca 0.07 -1.22 0.18 0.00 -0.52 0.00 0.00 52.55 51.06 3hmj s ASP 1346Cb 0.08 -2.34 0.90 0.00 -1.46 0.00 0.00 42.92 40.10 3hmj s ASP 1346CO -0.10 -1.19 1.54 -0.11 0.52 0.00 0.00 175.17 175.83 3hmj n LEU 1347N 6.75 0.45 0.13 -1.34 7.94 -1.26 -0.62 117.00 129.05 3hmj n LEU 1347Ca -0.07 0.68 0.12 0.00 -1.11 0.00 0.00 56.01 55.63 3hmj n LEU 1347Cb 0.44 -0.71 0.20 0.00 0.53 0.00 0.00 43.42 43.88 3hmj n LEU 1347CO 0.60 -0.77 0.56 0.25 -1.11 0.00 0.00 177.39 176.93 3hmj h LEU 1348N 0.00 0.00 -3.08 -1.96 5.85 -1.93 -3.05 115.31 111.14 3hmj h LEU 1348Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3hmj h LEU 1348Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hmj h LEU 1348CO 0.00 0.03 0.00 0.29 -0.34 0.00 0.00 178.44 178.42 3hmj n LYS 1349N -2.54 3.31 -1.98 1.25 5.02 0.21 -4.90 118.16 118.52 3hmj n LYS 1349Ca 0.03 -2.65 -0.40 0.00 -2.02 0.00 0.00 58.31 53.27 3hmj n LYS 1349Cb 0.48 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3hmj n LYS 1349CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hmj s LEU 1350N -1.80 4.20 -0.01 -0.35 2.96 -1.16 -3.91 118.68 118.62 3hmj s LEU 1350Ca 0.42 2.74 0.01 0.00 -0.22 0.00 0.00 54.13 57.08 3hmj s LEU 1350Cb 0.27 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3hmj s LEU 1350CO 0.19 -0.92 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.57 3hmj s VAL 1351N -1.23 0.38 -0.20 1.68 1.01 0.14 -4.96 120.40 117.23 3hmj s VAL 1351Ca 0.57 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 3hmj s VAL 1351Cb -0.40 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3hmj s VAL 1351CO 0.52 0.13 0.40 -2.28 0.00 0.00 0.00 175.10 173.87 3hmj s HIS 1352N 0.21 3.39 -0.23 5.22 2.46 -1.26 0.87 115.29 125.95 3hmj s HIS 1352Ca -0.02 0.63 -0.16 0.00 0.47 0.00 0.00 55.06 55.98 3hmj s HIS 1352Cb -0.06 -2.52 -0.12 0.00 -0.13 0.00 0.00 32.58 29.76 3hmj s HIS 1352CO -0.00 0.01 -0.19 1.28 -2.47 0.00 0.00 174.74 173.37 3hmj n LEU 1353N 4.39 1.91 -3.73 8.88 4.77 -0.37 -4.72 117.00 128.14 3hmj n LEU 1353Ca -0.08 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 3hmj n LEU 1353Cb 0.51 -0.85 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 3hmj n LEU 1353CO 0.40 0.23 0.17 -0.94 -1.33 0.00 0.00 177.39 175.92 3hmj s SER 1354N -6.85 -0.20 -0.28 -1.43 1.04 -1.20 -1.12 113.70 103.65 3hmj s SER 1354Ca -0.32 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.45 3hmj s SER 1354Cb 0.09 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.81 3hmj s SER 1354CO 0.48 -0.94 0.76 0.21 0.98 0.00 0.00 173.24 174.73 3hmj s ASN 1355N -2.86 -0.80 0.07 7.02 3.84 -1.04 -2.09 114.94 119.08 3hmj s ASN 1355Ca 0.07 1.36 -0.01 0.00 0.21 0.00 0.00 52.86 54.50 3hmj s ASN 1355Cb 0.01 1.35 -0.04 0.00 -0.55 0.00 0.00 41.25 42.02 3hmj s ASN 1355CO -0.07 -0.22 -0.03 -0.83 -2.79 0.00 0.00 177.10 173.17 3hmj s GLY 1356N 1.16 0.59 -0.07 1.21 0.00 0.91 -2.36 107.32 108.76 3hmj s GLY 1356Ca -0.06 -1.27 0.05 0.00 0.00 0.00 0.00 44.72 43.44 3hmj s GLY 1356CO -0.13 -1.35 -0.24 -0.19 0.00 0.00 0.00 173.10 171.19 3hmj s TYR 1357N -3.88 2.39 -0.13 1.90 2.02 -0.45 0.55 117.35 119.75 3hmj s TYR 1357Ca 0.10 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3hmj s TYR 1357Cb 0.07 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.07 3hmj s TYR 1357CO -0.08 -0.26 -0.16 0.21 -1.57 0.00 0.00 175.55 173.69 3hmj s LYS 1358N -0.01 2.38 -0.06 -0.62 2.20 0.81 -2.17 119.74 122.26 3hmj s LYS 1358Ca -0.08 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 54.66 3hmj s LYS 1358Cb -0.15 -2.07 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 3hmj s LYS 1358CO 0.05 -0.14 0.85 -1.64 -0.36 0.00 0.00 175.35 174.11 3hmj s MET 1359N 1.19 4.46 0.18 4.03 -1.94 -0.74 0.09 119.30 126.58 3hmj s MET 1359Ca -0.01 1.14 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 3hmj s MET 1359Cb -0.14 -3.48 -0.08 0.00 2.01 0.00 0.00 34.83 33.14 3hmj s MET 1359CO -0.06 -0.07 1.21 0.96 -0.01 0.00 0.00 175.02 177.04 3hmj s ILE 1360N 1.19 3.58 0.35 2.53 -4.36 -0.92 -4.92 121.20 118.65 3hmj s ILE 1360Ca 0.44 1.31 -0.27 0.00 -0.26 0.00 0.00 60.65 61.86 3hmj s ILE 1360Cb -0.19 -3.84 -0.12 0.00 1.25 0.00 0.00 42.46 39.56 3hmj s ILE 1360CO 0.21 0.20 1.18 -2.65 0.24 0.00 0.00 174.94 174.12 3hmj n PRO 1361N 2.63 1.82 0.00 0.37 -0.02 -1.26 -1.95 135.00 136.59 3hmj n PRO 1361Ca 0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hmj n PRO 1361Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3hmj n PRO 1361CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmj n GLY 1362N 0.93 3.07 3.69 -1.23 0.00 -1.26 -5.01 105.19 105.38 3hmj n GLY 1362Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hmj n GLY 1362CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmj s ALA 1363N -1.93 3.42 0.65 4.61 0.00 -0.82 -5.03 121.76 122.66 3hmj s ALA 1363Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 3hmj s ALA 1363Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3hmj s ALA 1363CO 0.00 -0.63 1.07 0.15 0.00 0.00 0.00 175.76 176.35 3hmj s LYS 1364N 1.94 3.01 1.01 0.00 1.02 -1.26 -4.91 119.74 120.55 3hmj s LYS 1364Ca 0.53 1.15 -0.11 0.00 0.02 0.00 0.00 55.97 57.55 3hmj s LYS 1364Cb -0.22 -1.99 0.20 0.00 -0.52 0.00 0.00 37.83 35.29 3hmj s LYS 1364CO 0.22 -1.05 1.09 -2.14 -0.92 0.00 0.00 175.35 172.54 3hmj s PRO 1365N -4.47 0.32 0.38 -1.68 0.02 -1.26 -4.95 135.00 123.36 3hmj s PRO 1365Ca 0.62 1.09 -0.27 0.00 0.02 0.00 0.00 61.00 62.46 3hmj s PRO 1365Cb -0.16 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 3hmj s PRO 1365CO 0.45 -2.96 1.35 -0.51 -0.33 0.00 0.00 177.00 175.01 3hmj s LEU 1366N -6.75 4.29 0.42 -5.54 1.43 -1.26 -4.92 118.68 106.36 3hmj s LEU 1366Ca 0.66 2.78 0.07 0.00 -1.03 0.00 0.00 54.13 56.61 3hmj s LEU 1366Cb -0.22 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 3hmj s LEU 1366CO 0.60 -0.80 0.08 -1.10 0.23 0.00 0.00 176.35 175.36 3hmj s GLN 1367N -2.10 2.07 0.29 1.70 -0.21 -1.26 -0.40 119.66 119.74 3hmj s GLN 1367Ca 0.54 -2.04 0.07 0.00 0.02 0.00 0.00 55.36 53.95 3hmj s GLN 1367Cb -0.41 -1.76 0.42 0.00 1.00 0.00 0.00 33.01 32.26 3hmj s GLN 1367CO 0.54 -0.11 1.67 -0.24 -2.12 0.00 0.00 175.29 175.03 3hmj h VAL 1368N 1.60 1.34 -0.25 1.09 3.04 -1.25 -3.13 116.25 118.69 3hmj h VAL 1368Ca -0.43 -1.66 -0.14 0.00 -1.01 0.00 0.00 66.70 63.45 3hmj h VAL 1368Cb 1.25 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 3hmj h VAL 1368CO 0.76 0.49 -0.42 1.23 -1.01 0.00 0.00 177.57 178.63 3hmj h GLY 1369N 1.33 0.65 -3.48 3.17 0.00 -1.83 -3.36 103.07 99.55 3hmj h GLY 1369Ca 0.01 -0.66 -0.58 0.00 0.00 0.00 0.00 47.33 46.10 3hmj h GLY 1369CO 0.07 0.60 0.20 1.22 0.00 0.00 0.00 176.54 178.64 3hmj n ASP 1370N -4.02 1.35 -4.58 0.19 9.92 -1.18 -4.57 116.55 113.65 3hmj n ASP 1370Ca -0.02 0.99 -0.34 0.00 -0.53 0.00 0.00 54.79 54.89 3hmj n ASP 1370Cb 0.53 -1.39 -0.11 0.00 -0.64 0.00 0.00 41.12 39.52 3hmj n ASP 1370CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hmj s VAL 1371N -1.32 4.25 -0.13 2.53 1.01 -1.26 -2.19 120.40 123.29 3hmj s VAL 1371Ca 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3hmj s VAL 1371Cb -0.51 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3hmj s VAL 1371CO 0.55 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 175.35 3hmj s VAL 1372N 0.12 1.36 -0.01 2.92 1.01 0.02 -4.47 120.40 121.35 3hmj s VAL 1372Ca 0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 3hmj s VAL 1372Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3hmj s VAL 1372CO 0.02 0.42 0.55 -0.44 0.00 0.00 0.00 175.10 175.65 3hmj s SER 1373N 1.53 6.93 -0.03 3.32 0.01 -0.63 -2.08 113.70 122.74 3hmj s SER 1373Ca 0.04 1.10 0.08 0.00 1.31 0.00 0.00 55.95 58.48 3hmj s SER 1373Cb -0.13 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3hmj s SER 1373CO -0.09 0.14 -0.25 -0.89 0.41 0.00 0.00 173.24 172.56 3hmj s THR 1374N -0.32 2.01 -0.09 1.44 2.01 -1.26 -0.61 115.64 118.83 3hmj s THR 1374Ca 0.29 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 3hmj s THR 1374Cb -0.18 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.69 3hmj s THR 1374CO 0.16 0.57 0.00 -0.89 -0.69 0.00 0.00 174.62 173.77 3hmj s THR 1375N -0.53 0.41 -0.37 -0.82 2.01 -1.13 -0.12 115.64 115.09 3hmj s THR 1375Ca 0.08 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 3hmj s THR 1375Cb -0.10 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.88 3hmj s THR 1375CO -0.00 0.21 0.15 0.00 -0.69 0.00 0.00 174.62 174.29 3hmj s ALA 1376N 1.95 3.09 -0.12 7.40 0.00 -0.00 -0.46 121.76 133.62 3hmj s ALA 1376Ca 0.04 -2.14 -0.12 0.00 0.00 0.00 0.00 51.96 49.75 3hmj s ALA 1376Cb -0.13 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3hmj s ALA 1376CO -0.06 -1.57 0.26 0.08 0.00 0.00 0.00 175.76 174.48 3hmj s VAL 1377N 1.27 5.31 -0.53 0.00 1.01 0.73 -2.25 120.40 125.96 3hmj s VAL 1377Ca 0.02 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 3hmj s VAL 1377Cb -0.22 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.67 3hmj s VAL 1377CO -0.01 0.50 0.61 -0.51 0.00 0.00 0.00 175.10 175.70 3hmj s ILE 1378N -0.31 4.92 0.00 2.22 2.07 -1.26 0.54 121.20 129.38 3hmj s ILE 1378Ca 0.17 -0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 58.65 3hmj s ILE 1378Cb -0.13 -4.33 -0.01 0.00 0.13 0.00 0.00 42.46 38.11 3hmj s ILE 1378CO 0.05 -0.87 0.72 -0.08 -1.91 0.00 0.00 174.94 172.86 3hmj h GLU 1379N 9.01 -0.09 -4.92 3.50 4.81 -0.57 -3.46 114.58 122.87 3hmj h GLU 1379Ca -0.28 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.38 3hmj h GLU 1379Cb 1.09 0.02 -0.33 0.00 0.63 0.00 0.00 28.75 30.17 3hmj h GLU 1379CO 0.99 -0.06 -0.84 -1.12 -0.73 0.00 0.00 179.01 177.25 3hmj s SER 1380N -2.53 2.26 -0.22 1.04 0.01 -1.13 -4.22 113.70 108.90 3hmj s SER 1380Ca -0.01 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3hmj s SER 1380Cb 0.00 -0.98 0.06 0.00 0.21 0.00 0.00 66.02 65.31 3hmj s SER 1380CO 0.04 0.09 -0.06 -0.69 0.41 0.00 0.00 173.24 173.03 3hmj s VAL 1381N 0.47 1.51 -0.02 3.43 1.01 0.77 -0.20 120.40 127.37 3hmj s VAL 1381Ca -0.14 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.74 3hmj s VAL 1381Cb -0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3hmj s VAL 1381CO 0.05 -0.05 -0.15 0.54 0.00 0.00 0.00 175.10 175.50 3hmj s VAL 1382N 1.42 1.17 -0.16 2.92 0.11 -0.26 -0.66 120.40 124.93 3hmj s VAL 1382Ca -0.05 -0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 58.12 3hmj s VAL 1382Cb -0.18 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 3hmj s VAL 1382CO -0.07 0.34 0.89 0.20 -3.33 0.00 0.00 175.10 173.13 3hmj s ASN 1383N -0.21 7.04 0.37 3.54 -0.87 -1.26 -1.26 114.94 122.28 3hmj s ASN 1383Ca 0.03 1.28 0.08 0.00 -1.57 0.00 0.00 52.86 52.68 3hmj s ASN 1383Cb -0.07 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 3hmj s ASN 1383CO 0.00 -0.44 0.13 -1.10 -2.57 0.00 0.00 177.10 173.12 3hmj s GLN 1384N 2.23 2.26 0.15 -0.60 -0.21 0.87 -5.01 119.66 119.35 3hmj s GLN 1384Ca 0.41 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.80 3hmj s GLN 1384Cb -0.17 -2.06 -0.07 0.00 1.00 0.00 0.00 33.01 31.72 3hmj s GLN 1384CO 0.13 0.04 1.49 -2.30 -2.12 0.00 0.00 175.29 172.53 3hmj n PRO 1385N -1.14 -0.42 0.17 2.91 -0.02 -1.26 -2.56 135.00 132.67 3hmj n PRO 1385Ca -0.03 1.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.97 3hmj n PRO 1385Cb 0.63 -2.15 0.11 0.00 -0.02 0.00 0.00 33.50 32.07 3hmj n PRO 1385CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmj h THR 1386N 0.00 0.62 0.00 3.45 1.03 -1.96 -3.44 112.91 112.61 3hmj h THR 1386Ca 0.15 -1.80 0.00 0.00 -0.01 0.00 0.00 66.41 64.75 3hmj h THR 1386Cb 0.39 2.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 3hmj h THR 1386CO -0.90 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 175.56 3hmj n GLY 1387N 1.06 -1.34 3.81 2.99 0.00 -1.06 -1.44 105.19 109.22 3hmj n GLY 1387Ca 0.02 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 3hmj n GLY 1387CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hmj s LYS 1388N -0.88 3.83 -0.09 1.61 2.20 0.77 -0.09 119.74 127.09 3hmj s LYS 1388Ca 0.00 -0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.64 3hmj s LYS 1388Cb 0.00 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3hmj s LYS 1388CO 0.00 0.56 -0.22 0.42 -0.36 0.00 0.00 175.35 175.75 3hmj s ILE 1389N -0.47 1.89 -0.14 5.43 1.01 -0.39 -0.98 121.20 127.56 3hmj s ILE 1389Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3hmj s ILE 1389Cb -0.13 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.72 3hmj s ILE 1389CO 0.04 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.63 3hmj s VAL 1390N 0.32 1.83 -0.32 2.92 1.01 -0.14 -1.10 120.40 124.93 3hmj s VAL 1390Ca -0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3hmj s VAL 1390Cb -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3hmj s VAL 1390CO 0.07 0.50 0.15 -1.81 0.00 0.00 0.00 175.10 174.02 3hmj s ASP 1391N 1.09 5.52 0.10 3.32 1.01 0.72 -0.30 116.67 128.13 3hmj s ASP 1391Ca -0.02 -0.64 0.05 0.00 0.71 0.00 0.00 52.55 52.65 3hmj s ASP 1391Cb -0.14 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 3hmj s ASP 1391CO -0.06 -0.23 -0.01 -0.69 0.21 0.00 0.00 175.17 174.39 3hmj s VAL 1392N 1.58 3.92 -0.09 -1.27 1.01 0.17 0.21 120.40 125.93 3hmj s VAL 1392Ca 0.04 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3hmj s VAL 1392Cb -0.17 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.35 3hmj s VAL 1392CO 0.06 0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.46 3hmj s VAL 1393N -1.34 1.08 0.05 2.92 1.01 0.19 -2.02 120.40 122.29 3hmj s VAL 1393Ca 0.25 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3hmj s VAL 1393Cb -0.11 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3hmj s VAL 1393CO 0.18 0.36 0.27 -0.83 0.00 0.00 0.00 175.10 175.08 3hmj s GLY 1394N 1.23 2.22 -0.32 4.51 0.00 0.16 -0.19 107.32 114.93 3hmj s GLY 1394Ca -0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 3hmj s GLY 1394CO -0.03 -0.54 0.13 -1.59 0.00 0.00 0.00 173.10 171.07 3hmj s THR 1395N -1.43 0.70 -0.33 0.90 2.01 0.39 -1.12 115.64 116.76 3hmj s THR 1395Ca 0.32 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 3hmj s THR 1395Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3hmj s THR 1395CO 0.21 -0.73 1.18 -0.76 -0.69 0.00 0.00 174.62 173.83 3hmj s LEU 1396N 1.54 3.87 0.24 4.42 1.02 -0.41 -2.85 118.68 126.50 3hmj s LEU 1396Ca 0.11 1.03 0.07 0.00 0.02 0.00 0.00 54.13 55.36 3hmj s LEU 1396Cb -0.18 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 3hmj s LEU 1396CO -0.23 -1.02 0.14 -0.44 0.02 0.00 0.00 176.35 174.82 3hmj s SER 1397N 2.25 5.26 -0.13 2.29 0.01 0.22 0.08 113.70 123.68 3hmj s SER 1397Ca 0.50 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.37 3hmj s SER 1397Cb -0.13 -1.26 0.06 0.00 0.21 0.00 0.00 66.02 64.90 3hmj s SER 1397CO 0.21 -0.01 0.28 -0.60 0.41 0.00 0.00 173.24 173.52 3hmj s ARG 1398N -3.70 0.19 -1.32 12.44 3.52 0.52 -1.61 118.95 128.99 3hmj s ARG 1398Ca 0.32 0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 3hmj s ARG 1398Cb -0.08 -0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.30 3hmj s ARG 1398CO 0.23 -0.24 0.92 0.09 -0.81 0.00 0.00 175.30 175.49 3hmj n ASN 1399N 4.98 -2.87 0.00 -2.12 3.02 -1.26 -2.88 115.26 114.13 3hmj n ASN 1399Ca -0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3hmj n ASN 1399Cb 0.51 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 3hmj n ASN 1399CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hmj n GLY 1400N -1.53 2.01 3.79 7.41 0.00 -1.26 -4.99 105.19 110.63 3hmj n GLY 1400Ca -0.19 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3hmj n GLY 1400CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmj s LYS 1401N 0.00 3.94 0.27 1.61 1.02 -1.14 -5.01 119.74 120.43 3hmj s LYS 1401Ca 0.00 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.16 3hmj s LYS 1401Cb 0.00 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 3hmj s LYS 1401CO 0.00 -0.33 0.97 -2.14 -0.92 0.00 0.00 175.35 172.94 3hmj s PRO 1402N -2.89 4.75 -0.17 -1.68 0.02 -1.26 -0.35 135.00 133.42 3hmj s PRO 1402Ca 0.63 1.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 3hmj s PRO 1402Cb -0.20 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.08 3hmj s PRO 1402CO 0.24 0.40 -0.26 0.28 -0.33 0.00 0.00 177.00 177.34 3hmj n VAL 1403N 1.24 1.20 -3.74 3.83 0.31 0.11 -4.84 118.33 116.44 3hmj n VAL 1403Ca -0.01 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 3hmj n VAL 1403Cb 0.47 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 3hmj n VAL 1403CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hmj s MET 1404N -2.45 0.86 -0.11 5.55 0.23 -1.01 -2.17 119.30 120.20 3hmj s MET 1404Ca -0.26 -0.56 -0.03 0.00 -1.03 0.00 0.00 55.69 53.80 3hmj s MET 1404Cb 0.08 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 3hmj s MET 1404CO 0.34 -0.29 0.01 -1.21 -2.03 0.00 0.00 175.02 171.84 3hmj s GLU 1405N -2.86 3.25 -0.10 3.16 2.02 0.11 -1.29 118.70 122.99 3hmj s GLU 1405Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.58 3hmj s GLU 1405Cb 0.00 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 3hmj s GLU 1405CO -0.05 0.58 -0.15 0.08 0.02 0.00 0.00 175.26 175.74 3hmj s VAL 1406N -0.54 2.93 -0.17 2.63 1.01 -0.27 -0.13 120.40 125.84 3hmj s VAL 1406Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3hmj s VAL 1406Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3hmj s VAL 1406CO 0.02 0.55 -0.16 -0.89 0.00 0.00 0.00 175.10 174.62 3hmj s THR 1407N 0.03 2.48 -0.02 3.92 2.01 0.19 0.38 115.64 124.64 3hmj s THR 1407Ca -0.05 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3hmj s THR 1407Cb -0.15 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 3hmj s THR 1407CO 0.04 0.51 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.94 3hmj s SER 1408N 1.08 1.31 -0.09 3.53 0.01 -0.85 -0.06 113.70 118.62 3hmj s SER 1408Ca -0.00 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3hmj s SER 1408Cb -0.14 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.84 3hmj s SER 1408CO -0.05 0.11 -0.18 -0.94 0.41 0.00 0.00 173.24 172.58 3hmj s SER 1409N -0.04 2.49 0.28 2.44 1.04 -0.89 0.42 113.70 119.44 3hmj s SER 1409Ca 0.00 -0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.09 3hmj s SER 1409Cb -0.07 -1.14 -0.05 0.00 0.10 0.00 0.00 66.02 64.87 3hmj s SER 1409CO 0.00 0.08 -0.05 -0.36 0.98 0.00 0.00 173.24 173.89 3hmj s PHE 1410N 0.63 2.58 -0.09 5.02 0.40 0.59 -1.23 117.98 125.87 3hmj s PHE 1410Ca -0.14 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 3hmj s PHE 1410Cb -0.16 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.22 3hmj s PHE 1410CO 0.04 0.63 0.01 0.12 0.70 0.00 0.00 175.22 176.72 3hmj s PHE 1411N -2.39 0.65 -0.45 0.36 5.36 0.25 -0.97 117.98 120.80 3hmj s PHE 1411Ca 0.32 -0.23 -0.19 0.00 -0.96 0.00 0.00 56.93 55.86 3hmj s PHE 1411Cb -0.05 -0.80 0.03 0.00 -0.34 0.00 0.00 43.02 41.85 3hmj s PHE 1411CO 0.19 -0.36 0.58 0.71 -1.46 0.00 0.00 175.22 174.88 3hmj s TYR 1412N 1.98 3.09 0.38 10.12 2.02 -0.15 0.26 117.35 135.05 3hmj s TYR 1412Ca 0.04 -0.24 -0.25 0.00 -0.37 0.00 0.00 57.07 56.26 3hmj s TYR 1412Cb -0.13 -3.25 -0.09 0.00 -0.40 0.00 0.00 41.96 38.09 3hmj s TYR 1412CO -0.06 -0.85 1.03 -0.98 -1.57 0.00 0.00 175.55 173.13 3hmj s ARG 1413N 2.58 4.27 0.00 -0.62 1.70 -1.25 -0.16 118.95 125.47 3hmj s ARG 1413Ca 0.18 1.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.93 3hmj s ARG 1413Cb -0.16 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 3hmj s ARG 1413CO 0.16 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 3hmj n GLY 1414N 0.41 0.52 3.47 3.88 0.00 -0.52 -4.88 105.19 108.06 3hmj n GLY 1414Ca 0.04 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3hmj n GLY 1414CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hmj s ASN 1415N -0.15 6.03 0.01 1.61 3.04 -1.26 -2.72 114.94 121.49 3hmj s ASN 1415Ca 0.00 -0.75 0.05 0.00 0.04 0.00 0.00 52.86 52.21 3hmj s ASN 1415Cb 0.00 -2.13 -0.03 0.00 -1.54 0.00 0.00 41.25 37.55 3hmj s ASN 1415CO 0.00 -0.37 -0.15 -0.31 -3.04 0.00 0.00 177.10 173.24 3hmj s TYR 1416N 1.68 2.66 0.00 0.43 1.51 -1.26 -4.98 117.35 117.39 3hmj s TYR 1416Ca 0.05 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 3hmj s TYR 1416Cb -0.18 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 3hmj s TYR 1416CO 0.10 0.26 0.81 2.41 -1.11 0.00 0.00 175.55 178.02 3hmj n THR 1417N 1.73 0.63 0.00 -0.71 -1.04 -1.26 -4.85 114.28 108.78 3hmj n THR 1417Ca -0.16 -0.81 0.00 0.00 -2.04 0.00 0.00 64.05 61.04 3hmj n THR 1417Cb 0.52 0.69 0.00 0.00 -1.82 0.00 0.00 70.33 69.72 3hmj n THR 1417CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hmj n ASP 1418N -0.32 0.00 -0.05 8.00 -0.08 -1.26 -4.29 116.55 118.56 3hmj n ASP 1418Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 3hmj n ASP 1418Cb 0.17 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.61 3hmj n ASP 1418CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3hmj n PHE 1419N -0.42 -0.05 -0.20 -0.67 3.72 -1.26 0.23 117.46 118.82 3hmj n PHE 1419Ca 0.00 0.14 0.17 0.00 -0.05 0.00 0.00 57.45 57.71 3hmj n PHE 1419Cb 0.00 -0.33 0.28 0.00 -0.94 0.00 0.00 39.48 38.49 3hmj n PHE 1419CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hmj n GLU 1420N -3.35 -0.01 -3.20 -1.08 1.02 -1.26 0.50 120.64 113.25 3hmj n GLU 1420Ca 0.00 0.51 -0.26 0.00 -0.02 0.00 0.00 57.16 57.40 3hmj n GLU 1420Cb 0.03 -1.02 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3hmj n GLU 1420CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hmj n ASN 1421N -3.46 3.48 -3.74 1.62 3.02 0.64 -5.04 115.26 111.78 3hmj n ASN 1421Ca 0.17 -3.43 -0.14 0.00 -0.03 0.00 0.00 54.58 51.14 3hmj n ASN 1421Cb 0.65 -0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 3hmj n ASN 1421CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hmj s THR 1422N -3.09 -0.08 0.08 3.41 -1.32 0.18 -4.92 115.64 109.91 3hmj s THR 1422Ca 0.43 0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 61.01 3hmj s THR 1422Cb 0.21 -0.22 0.01 0.00 -1.51 0.00 0.00 72.50 71.00 3hmj s THR 1422CO -0.07 0.09 0.26 0.72 -2.21 0.00 0.00 174.62 173.40 3hmj s PHE 1423N 1.32 0.02 -0.19 9.09 -0.71 0.16 -2.68 117.98 124.99 3hmj s PHE 1423Ca -0.07 -0.35 -0.08 0.00 -1.04 0.00 0.00 56.93 55.38 3hmj s PHE 1423Cb -0.12 0.04 0.07 0.00 -1.21 0.00 0.00 43.02 41.81 3hmj s PHE 1423CO -0.05 -0.56 0.42 -1.14 -1.34 0.00 0.00 175.22 172.55 3hmj s GLN 1424N -3.50 0.37 -0.21 1.99 0.74 -0.61 -0.16 119.66 118.28 3hmj s GLN 1424Ca 0.02 0.92 -0.03 0.00 0.05 0.00 0.00 55.36 56.31 3hmj s GLN 1424Cb 0.03 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 3hmj s GLN 1424CO -0.09 -0.20 -0.05 0.15 -0.55 0.00 0.00 175.29 174.54 3hmj s LYS 1425N 1.97 3.36 -0.03 1.67 1.02 -1.26 -1.81 119.74 124.66 3hmj s LYS 1425Ca -0.06 -0.64 0.08 0.00 0.02 0.00 0.00 55.97 55.37 3hmj s LYS 1425Cb -0.10 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3hmj s LYS 1425CO -0.13 -0.18 -0.26 0.95 -0.92 0.00 0.00 175.35 174.82 3hmj s THR 1426N 1.41 2.08 -0.52 2.17 -4.23 -0.95 -4.79 115.64 110.80 3hmj s THR 1426Ca 0.05 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 3hmj s THR 1426Cb -0.14 -1.72 0.07 0.00 1.34 0.00 0.00 72.50 72.05 3hmj s THR 1426CO -0.03 0.58 0.64 -0.69 -0.54 0.00 0.00 174.62 174.58 3hmj s VAL 1427N -0.52 4.86 0.46 2.29 1.01 -1.26 -1.58 120.40 125.66 3hmj s VAL 1427Ca 0.07 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3hmj s VAL 1427Cb -0.11 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3hmj s VAL 1427CO -0.00 -0.87 1.20 -1.61 0.00 0.00 0.00 175.10 173.81 3hmj s GLU 1428N 2.65 3.72 0.96 2.72 0.41 0.21 -5.00 118.70 124.37 3hmj s GLU 1428Ca 0.14 1.86 -0.11 0.00 -0.41 0.00 0.00 54.97 56.46 3hmj s GLU 1428Cb -0.20 -2.44 0.17 0.00 -1.78 0.00 0.00 34.13 29.88 3hmj s GLU 1428CO 0.11 -0.61 1.11 -1.25 -0.49 0.00 0.00 175.26 174.13 3hmj s PRO 1429N -2.66 0.72 -0.02 0.39 0.04 -1.26 -4.11 135.00 128.10 3hmj s PRO 1429Ca 0.63 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 3hmj s PRO 1429Cb -0.31 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3hmj s PRO 1429CO 0.38 -2.76 0.90 0.08 0.04 0.00 0.00 177.00 175.64 3hmj s VAL 1430N -2.65 4.92 -0.19 -0.36 1.01 -1.26 -4.45 120.40 117.42 3hmj s VAL 1430Ca 0.66 1.88 -0.08 0.00 0.00 0.00 0.00 61.98 64.45 3hmj s VAL 1430Cb -0.22 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3hmj s VAL 1430CO 0.59 0.18 0.07 -0.31 0.00 0.00 0.00 175.10 175.63 3hmj s TYR 1431N 0.97 3.25 -0.11 5.22 2.02 -0.94 -1.48 117.35 126.27 3hmj s TYR 1431Ca 0.48 0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3hmj s TYR 1431Cb -0.20 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3hmj s TYR 1431CO 0.25 0.13 0.05 -1.14 -1.57 0.00 0.00 175.55 173.26 3hmj s GLN 1432N 0.45 3.25 -0.03 -0.62 0.74 -0.22 -0.41 119.66 122.83 3hmj s GLN 1432Ca 0.03 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 3hmj s GLN 1432Cb -0.13 -2.96 0.03 0.00 1.10 0.00 0.00 33.01 31.06 3hmj s GLN 1432CO 0.00 0.66 0.03 1.41 -0.55 0.00 0.00 175.29 176.84 3hmj s MET 1433N -0.73 0.08 -0.76 1.67 1.75 0.14 -1.60 119.30 119.84 3hmj s MET 1433Ca 0.12 0.21 -0.12 0.00 -1.25 0.00 0.00 55.69 54.65 3hmj s MET 1433Cb -0.12 -0.43 0.20 0.00 2.84 0.00 0.00 34.83 37.32 3hmj s MET 1433CO 0.02 -0.22 0.68 -1.58 -0.65 0.00 0.00 175.02 173.28 3hmj s HIS 1434N 1.44 3.66 -0.70 4.11 2.46 -1.26 0.10 115.29 125.09 3hmj s HIS 1434Ca -0.04 -2.05 -0.26 0.00 0.47 0.00 0.00 55.06 53.18 3hmj s HIS 1434Cb -0.13 -3.71 -0.04 0.00 -0.13 0.00 0.00 32.58 28.58 3hmj s HIS 1434CO -0.03 -0.97 1.95 0.42 -2.47 0.00 0.00 174.74 173.64 3hmj s ILE 1435N 0.27 3.34 -0.24 0.89 1.09 -0.86 -4.77 121.20 120.92 3hmj s ILE 1435Ca 0.16 -0.00 -0.05 0.00 -1.10 0.00 0.00 60.65 59.66 3hmj s ILE 1435Cb -0.14 -3.86 -0.18 0.00 -1.06 0.00 0.00 42.46 37.23 3hmj s ILE 1435CO -0.07 -0.82 -0.13 1.17 -0.10 0.00 0.00 174.94 174.99 3hmj n LYS 1436N 9.06 0.65 -3.74 2.79 4.81 -1.26 -0.88 118.16 129.59 3hmj n LYS 1436Ca 0.29 0.22 -0.25 0.00 -0.87 0.00 0.00 58.31 57.70 3hmj n LYS 1436Cb 0.50 -1.56 -0.01 0.00 0.02 0.00 0.00 35.03 33.99 3hmj n LYS 1436CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3hmj n THR 1437N -3.60 0.00 0.03 3.15 -2.24 -1.26 -4.51 114.28 105.84 3hmj n THR 1437Ca -0.45 -2.03 -0.09 0.00 -2.27 0.00 0.00 64.05 59.22 3hmj n THR 1437Cb 0.96 -0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 3hmj n THR 1437CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3hmj h SER 1438N 0.66 0.05 0.82 3.42 0.87 -2.01 -3.27 113.55 114.08 3hmj h SER 1438Ca -0.33 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.03 3hmj h SER 1438Cb 1.17 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 3hmj h SER 1438CO 0.52 1.05 -0.68 0.07 -0.53 0.00 0.00 176.83 177.26 3hmj h LYS 1439N 0.01 0.00 0.39 2.24 2.10 -1.99 -2.65 116.57 116.67 3hmj h LYS 1439Ca -0.14 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.50 3hmj h LYS 1439Cb 1.89 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.20 3hmj h LYS 1439CO 0.11 0.68 -0.43 -0.44 -2.00 0.00 0.00 179.45 177.37 3hmj h ASP 1440N 0.00 -1.19 -0.56 7.07 5.19 -1.97 0.47 116.42 125.42 3hmj h ASP 1440Ca -0.01 0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 3hmj h ASP 1440Cb 1.27 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 41.15 3hmj h ASP 1440CO 0.09 -0.57 0.37 -0.29 -3.12 0.00 0.00 179.24 175.72 3hmj h ILE 1441N -0.85 0.96 -0.01 0.35 6.09 -1.61 -2.25 117.51 120.20 3hmj h ILE 1441Ca -0.03 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 63.29 3hmj h ILE 1441Cb 0.76 0.44 -0.00 0.00 0.47 0.00 0.00 36.82 38.49 3hmj h ILE 1441CO -0.09 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 3hmj h ALA 1442N 1.70 0.01 -0.76 0.18 0.00 -0.93 -1.85 119.26 117.62 3hmj h ALA 1442Ca 0.25 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3hmj h ALA 1442Cb 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hmj h ALA 1442CO -0.07 -0.40 0.45 0.28 0.00 0.00 0.00 179.25 179.51 3hmj h VAL 1443N -0.16 1.02 -0.59 0.00 2.07 -0.44 -1.84 116.25 116.31 3hmj h VAL 1443Ca 0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3hmj h VAL 1443Cb 0.17 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3hmj h VAL 1443CO -0.00 0.15 0.29 -0.07 0.02 0.00 0.00 177.57 177.96 3hmj h LEU 1444N 0.84 0.76 -0.52 2.57 3.38 -1.31 -1.31 115.31 119.73 3hmj h LEU 1444Ca 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hmj h LEU 1444Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hmj h LEU 1444CO -0.17 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.58 3hmj n ARG 1445N -4.54 0.12 0.12 1.13 1.74 -0.71 -2.45 116.66 112.08 3hmj n ARG 1445Ca 0.04 0.39 -0.02 0.00 -0.77 0.00 0.00 57.85 57.48 3hmj n ARG 1445Cb 0.12 -1.75 0.15 0.00 -1.02 0.00 0.00 32.46 29.95 3hmj n ARG 1445CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hmj h SER 1446N 0.00 0.05 -3.40 0.55 4.64 -0.41 -3.44 113.55 111.55 3hmj h SER 1446Ca 0.00 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.74 3hmj h SER 1446Cb 0.29 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 3hmj h SER 1446CO 0.00 0.67 0.13 -0.54 -0.87 0.00 0.00 176.83 176.22 3hmj s LYS 1447N -3.59 4.46 0.46 4.77 -0.14 -1.03 -4.95 119.74 119.72 3hmj s LYS 1447Ca -0.02 1.00 0.30 0.00 -1.36 0.00 0.00 55.97 55.90 3hmj s LYS 1447Cb 0.12 -3.38 1.23 0.00 -1.68 0.00 0.00 37.83 34.12 3hmj s LYS 1447CO 0.77 0.23 1.90 0.93 -0.76 0.00 0.00 175.35 178.42 3hmj h GLU 1448N 5.94 0.00 0.00 1.68 5.08 -1.87 -2.71 114.58 122.69 3hmj h GLU 1448Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hmj h GLU 1448Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hmj h GLU 1448CO 0.72 0.00 -0.67 0.11 -1.00 0.00 0.00 179.01 178.17 3hmj h TRP 1449N 0.00 0.00 -3.27 4.33 5.08 -1.93 -3.43 115.95 116.73 3hmj h TRP 1449Ca 0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 3hmj h TRP 1449Cb 0.48 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.58 3hmj h TRP 1449CO 0.00 0.00 1.06 0.12 -1.28 0.00 0.00 178.44 178.34 3hmj s PHE 1450N -3.26 2.43 -0.34 0.12 5.36 -1.03 -2.27 117.98 118.99 3hmj s PHE 1450Ca 0.03 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.65 3hmj s PHE 1450Cb 0.10 -4.34 0.13 0.00 -0.34 0.00 0.00 43.02 38.57 3hmj s PHE 1450CO 0.74 -1.90 0.20 -0.65 -1.46 0.00 0.00 175.22 172.15 3hmj s GLN 1451N 4.98 0.47 0.35 10.12 -0.21 -0.94 -4.91 119.66 129.51 3hmj s GLN 1451Ca 0.59 -1.10 0.02 0.00 0.02 0.00 0.00 55.36 54.89 3hmj s GLN 1451Cb -0.12 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.65 3hmj s GLN 1451CO 0.32 -1.16 0.53 -0.48 -2.12 0.00 0.00 175.29 172.38 3hmj s LEU 1452N 1.35 3.96 0.01 2.90 0.05 -1.26 -1.02 118.68 124.67 3hmj s LEU 1452Ca 0.16 0.23 -0.09 0.00 0.05 0.00 0.00 54.13 54.48 3hmj s LEU 1452Cb -0.21 -3.10 -0.05 0.00 -2.05 0.00 0.00 46.19 40.78 3hmj s LEU 1452CO -0.08 -0.39 1.04 0.44 -0.55 0.00 0.00 176.35 176.81 3hmj h ASP 1453N 0.75 -0.28 -3.58 1.48 3.32 -1.47 -3.38 116.42 113.26 3hmj h ASP 1453Ca -0.49 0.01 -0.64 0.00 0.02 0.00 0.00 57.03 55.93 3hmj h ASP 1453Cb 1.24 0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.72 3hmj h ASP 1453CO 0.59 -0.19 0.07 -1.81 -1.72 0.00 0.00 179.24 176.18 3hmj s ASP 1454N -2.64 6.37 0.65 6.45 1.01 -1.26 -4.91 116.67 122.33 3hmj s ASP 1454Ca -0.05 -0.01 0.43 0.00 0.71 0.00 0.00 52.55 53.63 3hmj s ASP 1454Cb 0.00 -2.30 2.22 0.00 1.01 0.00 0.00 42.92 43.85 3hmj s ASP 1454CO 0.14 -0.59 2.30 -0.33 0.21 0.00 0.00 175.17 176.90 3hmj h GLU 1455N 8.53 0.00 0.00 8.23 3.07 -1.98 -0.87 114.58 131.56 3hmj h GLU 1455Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3hmj h GLU 1455Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3hmj h GLU 1455CO 0.82 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 178.18 3hmj n ASP 1456N -3.08 0.00 -4.63 1.42 8.00 -1.26 -4.87 116.55 112.12 3hmj n ASP 1456Ca -0.02 -0.18 -0.47 0.00 0.71 0.00 0.00 54.79 54.83 3hmj n ASP 1456Cb 0.12 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 3hmj n ASP 1456CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hmj n PHE 1457N -1.25 1.84 -2.75 1.24 7.35 -0.33 -4.87 117.46 118.69 3hmj n PHE 1457Ca 0.13 0.51 -0.43 0.00 -0.76 0.00 0.00 57.45 56.90 3hmj n PHE 1457Cb 0.19 -2.40 -0.02 0.00 0.35 0.00 0.00 39.48 37.60 3hmj n PHE 1457CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hmj s ASP 1458N 0.31 6.60 0.49 -2.13 -1.08 -1.26 -4.82 116.67 114.78 3hmj s ASP 1458Ca 0.73 -1.85 0.24 0.00 -0.52 0.00 0.00 52.55 51.15 3hmj s ASP 1458Cb -0.75 -2.48 1.25 0.00 -1.46 0.00 0.00 42.92 39.48 3hmj s ASP 1458CO 0.48 -1.25 2.00 -0.07 0.52 0.00 0.00 175.17 176.86 3hmj h LEU 1459N 11.54 0.00 -9.25 -1.34 3.38 -1.96 -3.44 115.31 114.24 3hmj h LEU 1459Ca 0.20 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.50 3hmj h LEU 1459Cb 1.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.78 3hmj h LEU 1459CO 1.27 0.17 0.87 -0.11 0.09 0.00 0.00 178.44 180.73 3hmj n LEU 1460N -3.73 2.67 -0.08 1.67 7.94 -1.26 -1.76 117.00 122.46 3hmj n LEU 1460Ca -0.02 1.05 -0.01 0.00 -1.11 0.00 0.00 56.01 55.93 3hmj n LEU 1460Cb 0.28 -1.26 -0.00 0.00 0.53 0.00 0.00 43.42 42.97 3hmj n LEU 1460CO 0.32 -0.41 -0.01 0.59 -1.11 0.00 0.00 177.39 176.78 3hmj n ASN 1461N 5.01 -3.82 -4.93 1.96 3.02 -0.06 -5.03 115.26 111.42 3hmj n ASN 1461Ca 0.23 0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.60 3hmj n ASN 1461Cb 0.21 -1.41 0.06 0.00 -0.61 0.00 0.00 39.78 38.03 3hmj n ASN 1461CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hmj s LYS 1462N -0.91 2.30 -0.14 3.52 -0.14 -0.72 -4.94 119.74 118.71 3hmj s LYS 1462Ca 0.00 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.35 3hmj s LYS 1462Cb 0.00 -2.57 0.01 0.00 -1.68 0.00 0.00 37.83 33.60 3hmj s LYS 1462CO 0.00 -0.85 -0.20 0.99 -0.76 0.00 0.00 175.35 174.53 3hmj s THR 1463N -2.73 1.92 0.03 2.17 2.01 -1.26 -2.04 115.64 115.73 3hmj s THR 1463Ca 0.61 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.73 3hmj s THR 1463Cb -0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3hmj s THR 1463CO 0.39 0.52 0.11 -0.76 -0.69 0.00 0.00 174.62 174.19 3hmj s LEU 1464N 1.02 3.98 0.05 4.42 1.43 0.11 -1.73 118.68 127.96 3hmj s LEU 1464Ca -0.03 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3hmj s LEU 1464Cb -0.15 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3hmj s LEU 1464CO -0.05 0.23 -0.21 0.42 0.23 0.00 0.00 176.35 176.97 3hmj s THR 1465N -1.30 1.66 -0.31 5.49 -4.23 0.13 0.26 115.64 117.35 3hmj s THR 1465Ca 0.27 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 3hmj s THR 1465Cb -0.12 -1.45 0.09 0.00 1.34 0.00 0.00 72.50 72.36 3hmj s THR 1465CO 0.18 0.19 0.04 -0.36 -0.54 0.00 0.00 174.62 174.13 3hmj s PHE 1466N -0.82 2.95 -0.67 3.99 0.40 0.46 -1.16 117.98 123.12 3hmj s PHE 1466Ca 0.07 -2.42 -0.17 0.00 -0.60 0.00 0.00 56.93 53.81 3hmj s PHE 1466Cb -0.09 -2.33 0.15 0.00 0.51 0.00 0.00 43.02 41.26 3hmj s PHE 1466CO 0.02 -0.90 0.70 -1.21 0.70 0.00 0.00 175.22 174.53 3hmj s GLU 1467N 1.19 3.24 -0.05 0.44 2.02 -1.11 -2.22 118.70 122.20 3hmj s GLU 1467Ca 0.07 -1.79 0.02 0.00 0.02 0.00 0.00 54.97 53.29 3hmj s GLU 1467Cb -0.19 -4.39 -0.03 0.00 0.10 0.00 0.00 34.13 29.63 3hmj s GLU 1467CO -0.12 -1.43 -0.08 0.99 0.02 0.00 0.00 175.26 174.63 3hmj s THR 1468N 1.68 3.56 -0.13 3.63 2.01 -1.26 -3.31 115.64 121.81 3hmj s THR 1468Ca 0.13 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3hmj s THR 1468Cb -0.20 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 3hmj s THR 1468CO -0.00 0.55 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.68 3hmj s GLU 1469N -0.93 3.18 -0.19 4.92 2.02 0.78 -0.62 118.70 127.85 3hmj s GLU 1469Ca 0.13 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 3hmj s GLU 1469Cb -0.11 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.63 3hmj s GLU 1469CO 0.03 0.11 -0.15 -0.08 0.02 0.00 0.00 175.26 175.19 3hmj s THR 1470N 0.56 2.48 -0.22 3.63 -1.32 -0.61 -1.22 115.64 118.93 3hmj s THR 1470Ca -0.11 -0.81 -0.08 0.00 -1.21 0.00 0.00 61.69 59.48 3hmj s THR 1470Cb -0.16 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 3hmj s THR 1470CO 0.04 0.49 0.08 -0.70 -2.21 0.00 0.00 174.62 172.32 3hmj s GLU 1471N 1.35 3.84 0.05 7.08 2.12 0.22 -2.25 118.70 131.11 3hmj s GLU 1471Ca 0.05 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.04 3hmj s GLU 1471Cb -0.14 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3hmj s GLU 1471CO -0.10 0.04 -0.16 0.08 -0.54 0.00 0.00 175.26 174.58 3hmj s VAL 1472N 1.01 1.27 -0.05 3.70 1.01 -0.75 -0.15 120.40 126.44 3hmj s VAL 1472Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3hmj s VAL 1472Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3hmj s VAL 1472CO 0.03 -0.02 -0.10 0.42 0.00 0.00 0.00 175.10 175.44 3hmj s THR 1473N -0.96 0.94 0.41 3.92 -4.23 -0.79 -1.57 115.64 113.36 3hmj s THR 1473Ca 0.02 -0.37 -0.15 0.00 -1.18 0.00 0.00 61.69 60.01 3hmj s THR 1473Cb -0.09 -0.87 -0.08 0.00 1.34 0.00 0.00 72.50 72.80 3hmj s THR 1473CO 0.02 0.31 0.84 -0.36 -0.54 0.00 0.00 174.62 174.89 3hmj s PHE 1474N 0.66 3.41 0.00 3.99 0.40 -1.09 0.24 117.98 125.59 3hmj s PHE 1474Ca -0.12 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 3hmj s PHE 1474Cb -0.15 -2.62 0.00 0.00 0.51 0.00 0.00 43.02 40.76 3hmj s PHE 1474CO 0.02 -0.11 0.00 1.63 0.70 0.00 0.00 175.22 177.46 3hmj n LYS 1475N -0.97 2.83 -2.11 0.44 5.02 -1.22 -4.51 118.16 117.64 3hmj n LYS 1475Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 3hmj n LYS 1475Cb 0.54 -0.75 -0.01 0.00 -0.02 0.00 0.00 35.03 34.79 3hmj n LYS 1475CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hmj n ASN 1476N -0.79 -0.06 0.28 4.39 3.02 -1.12 -4.82 115.26 116.16 3hmj n ASN 1476Ca 0.00 -1.16 -0.16 0.00 -0.03 0.00 0.00 54.58 53.23 3hmj n ASN 1476Cb 0.00 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 3hmj n ASN 1476CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmj h ALA 1477N 1.13 -0.67 0.00 5.41 0.00 -2.00 -3.38 119.26 119.74 3hmj h ALA 1477Ca -0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3hmj h ALA 1477Cb 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hmj h ALA 1477CO 0.03 -0.85 -1.45 0.09 0.00 0.00 0.00 179.25 177.06 3hmj n ASN 1478N -5.36 3.31 -4.71 0.00 3.02 -1.26 -5.01 115.26 105.26 3hmj n ASN 1478Ca -0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.01 3hmj n ASN 1478Cb 0.29 0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 3hmj n ASN 1478CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hmj s ILE 1479N -2.21 4.62 0.45 2.41 1.01 -1.26 -4.92 121.20 121.30 3hmj s ILE 1479Ca -0.03 1.88 -0.21 0.00 0.00 0.00 0.00 60.65 62.28 3hmj s ILE 1479Cb 0.02 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 3hmj s ILE 1479CO 0.28 0.15 1.01 -0.36 0.00 0.00 0.00 174.94 176.02 3hmj s PHE 1480N 1.03 3.15 -0.02 3.97 0.40 -1.06 -2.79 117.98 122.65 3hmj s PHE 1480Ca 0.54 1.60 -0.10 0.00 -0.60 0.00 0.00 56.93 58.38 3hmj s PHE 1480Cb -0.24 -3.02 -0.31 0.00 0.51 0.00 0.00 43.02 39.97 3hmj s PHE 1480CO 0.28 -0.57 0.79 1.03 0.70 0.00 0.00 175.22 177.45 3hmj h SER 1481N 1.87 0.61 -5.00 1.36 0.87 -0.44 -3.01 113.55 109.81 3hmj h SER 1481Ca -0.49 -0.82 -0.06 0.00 -1.23 0.00 0.00 61.79 59.19 3hmj h SER 1481Cb 1.21 -0.20 -0.19 0.00 -0.44 0.00 0.00 62.40 62.78 3hmj h SER 1481CO 0.60 1.68 0.17 -0.94 -0.53 0.00 0.00 176.83 177.81 3hmj s SER 1482N -7.27 -0.64 -0.16 6.23 1.04 -1.03 -0.68 113.70 111.19 3hmj s SER 1482Ca -0.13 0.67 -0.04 0.00 0.48 0.00 0.00 55.95 56.93 3hmj s SER 1482Cb 0.06 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.76 3hmj s SER 1482CO 0.87 -0.61 0.07 -0.69 0.98 0.00 0.00 173.24 173.87 3hmj s VAL 1483N -1.27 0.03 0.01 5.02 1.01 0.11 -1.89 120.40 123.42 3hmj s VAL 1483Ca -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3hmj s VAL 1483Cb -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3hmj s VAL 1483CO 0.09 -0.21 0.14 -0.54 0.00 0.00 0.00 175.10 174.58 3hmj s LYS 1484N 2.09 3.25 -0.24 2.72 1.02 0.78 -1.49 119.74 127.87 3hmj s LYS 1484Ca 0.02 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 3hmj s LYS 1484Cb -0.16 -2.97 0.13 0.00 -0.52 0.00 0.00 37.83 34.31 3hmj s LYS 1484CO -0.08 0.65 0.37 0.00 -0.92 0.00 0.00 175.35 175.36 3hmj s PHE 1486N 2.53 0.93 0.00 0.00 -0.12 -0.36 -0.96 117.98 120.01 3hmj s PHE 1486Ca 0.12 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 3hmj s PHE 1486Cb -0.15 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 3hmj s PHE 1486CO -0.15 -0.14 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 3hmj n GLY 1487N -0.06 2.02 3.82 1.99 0.00 -1.01 -0.16 105.19 111.79 3hmj n GLY 1487Ca -0.12 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 3hmj n GLY 1487CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hmj s PRO 1488N -2.00 4.22 -0.17 1.61 0.02 -1.21 -0.06 135.00 137.40 3hmj s PRO 1488Ca 0.00 0.86 -0.10 0.00 0.02 0.00 0.00 61.00 61.78 3hmj s PRO 1488Cb 0.00 -2.76 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 3hmj s PRO 1488CO 0.00 0.32 0.17 0.42 -0.33 0.00 0.00 177.00 177.59 3hmj s ILE 1489N -1.65 5.40 0.14 2.83 1.01 -0.69 -2.77 121.20 125.47 3hmj s ILE 1489Ca 0.46 0.28 0.07 0.00 0.00 0.00 0.00 60.65 61.47 3hmj s ILE 1489Cb -0.15 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3hmj s ILE 1489CO 0.20 0.46 -0.16 -0.54 0.00 0.00 0.00 174.94 174.91 3hmj s LYS 1490N 0.10 1.14 -0.05 2.79 1.02 -0.31 0.10 119.74 124.54 3hmj s LYS 1490Ca 0.11 -1.32 0.06 0.00 0.02 0.00 0.00 55.97 54.85 3hmj s LYS 1490Cb -0.12 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 3hmj s LYS 1490CO 0.01 0.22 -0.23 0.54 -0.92 0.00 0.00 175.35 174.97 3hmj s VAL 1491N -2.09 2.30 0.31 3.17 0.11 -0.37 -0.69 120.40 123.15 3hmj s VAL 1491Ca 0.12 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 3hmj s VAL 1491Cb -0.05 -1.84 -0.10 0.00 -1.53 0.00 0.00 36.38 32.85 3hmj s VAL 1491CO 0.05 0.57 1.29 -1.61 -3.33 0.00 0.00 175.10 172.07 3hmj s GLU 1492N -0.39 4.39 0.52 1.54 2.02 -0.71 -2.19 118.70 123.87 3hmj s GLU 1492Ca 0.03 2.16 0.07 0.00 0.02 0.00 0.00 54.97 57.26 3hmj s GLU 1492Cb -0.12 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.06 3hmj s GLU 1492CO 0.02 -0.16 0.71 -0.51 0.02 0.00 0.00 175.26 175.34 3hmj s LEU 1493N -1.52 3.35 0.42 1.80 1.43 -0.18 -4.77 118.68 119.22 3hmj s LEU 1493Ca 0.50 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3hmj s LEU 1493Cb -0.39 -2.21 0.92 0.00 0.03 0.00 0.00 46.19 44.54 3hmj s LEU 1493CO 0.50 -1.11 2.01 -0.65 0.23 0.00 0.00 176.35 177.32 3hmj h PRO 1494N 0.31 0.25 0.00 1.29 0.11 -1.97 0.64 132.00 132.64 3hmj h PRO 1494Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hmj h PRO 1494Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hmj h PRO 1494CO 0.44 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 3hmj n THR 1495N -4.38 0.65 -0.95 -1.15 -2.24 -1.26 -4.34 114.28 100.60 3hmj n THR 1495Ca -0.00 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3hmj n THR 1495Cb 0.18 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3hmj n THR 1495CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hmj n LYS 1496N -1.38 -0.24 -0.91 -0.78 5.02 0.22 -4.83 118.16 115.25 3hmj n LYS 1496Ca 0.06 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 3hmj n LYS 1496Cb 0.16 -3.22 0.16 0.00 -0.02 0.00 0.00 35.03 32.11 3hmj n LYS 1496CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3hmj s GLU 1497N -0.35 1.01 -0.11 1.97 2.12 -1.26 -4.68 118.70 117.40 3hmj s GLU 1497Ca 0.00 1.18 0.02 0.00 0.36 0.00 0.00 54.97 56.52 3hmj s GLU 1497Cb 0.00 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.65 3hmj s GLU 1497CO 0.00 -2.52 -0.15 0.95 -0.54 0.00 0.00 175.26 173.00 3hmj s THR 1498N -2.74 1.50 -0.04 -1.70 -4.23 -1.26 -1.01 115.64 106.16 3hmj s THR 1498Ca 0.65 -0.64 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 3hmj s THR 1498Cb -0.21 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 3hmj s THR 1498CO 0.58 0.44 -0.13 -0.69 -0.54 0.00 0.00 174.62 174.28 3hmj s VAL 1499N 1.01 3.15 0.13 2.29 1.01 -0.93 -4.89 120.40 122.17 3hmj s VAL 1499Ca -0.06 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3hmj s VAL 1499Cb -0.15 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 3hmj s VAL 1499CO -0.02 0.55 1.70 -0.70 0.00 0.00 0.00 175.10 176.62 3hmj s GLU 1500N -0.88 4.17 -0.10 2.72 2.12 -1.26 -1.23 118.70 124.24 3hmj s GLU 1500Ca 0.12 2.46 0.08 0.00 0.36 0.00 0.00 54.97 58.00 3hmj s GLU 1500Cb -0.11 -3.41 -0.12 0.00 0.26 0.00 0.00 34.13 30.75 3hmj s GLU 1500CO 0.02 -0.74 0.03 -0.89 -0.54 0.00 0.00 175.26 173.14 3hmj n ILE 1501N 4.44 0.66 -0.78 -3.70 5.41 0.28 -4.91 119.36 120.75 3hmj n ILE 1501Ca 0.16 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3hmj n ILE 1501Cb 0.38 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 3hmj n ILE 1501CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hmj n GLY 1502N 2.42 1.21 3.02 7.39 0.00 -1.09 -1.07 105.19 117.07 3hmj n GLY 1502Ca -0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3hmj n GLY 1502CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmj s ILE 1503N 0.11 0.10 -0.24 -0.61 1.01 -0.19 -1.71 121.20 119.67 3hmj s ILE 1503Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3hmj s ILE 1503Cb 0.00 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 3hmj s ILE 1503CO 0.00 -0.45 0.18 -0.69 0.00 0.00 0.00 174.94 173.98 3hmj s VAL 1504N -1.40 5.34 -0.40 2.92 1.01 0.91 -2.21 120.40 126.57 3hmj s VAL 1504Ca -0.15 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3hmj s VAL 1504Cb -0.09 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 32.92 3hmj s VAL 1504CO -0.00 0.33 0.27 -0.62 0.00 0.00 0.00 175.10 175.08 3hmj s ASP 1505N 1.11 2.60 0.03 3.32 2.15 -0.96 -2.41 116.67 122.51 3hmj s ASP 1505Ca 0.09 -2.60 0.04 0.00 0.43 0.00 0.00 52.55 50.50 3hmj s ASP 1505Cb -0.14 -0.54 -0.04 0.00 -0.30 0.00 0.00 42.92 41.91 3hmj s ASP 1505CO 0.05 -0.25 -0.07 -0.47 -0.17 0.00 0.00 175.17 174.27 3hmj s TYR 1506N 0.54 2.87 -0.18 -5.34 5.04 -0.13 -4.48 117.35 115.67 3hmj s TYR 1506Ca 0.23 -0.06 -0.14 0.00 -2.44 0.00 0.00 57.07 54.66 3hmj s TYR 1506Cb -0.13 -1.57 0.05 0.00 0.35 0.00 0.00 41.96 40.66 3hmj s TYR 1506CO -0.07 0.39 0.47 -2.00 -1.34 0.00 0.00 175.55 173.00 3hmj s GLU 1507N -1.68 0.52 -0.25 4.97 2.12 -1.25 -1.41 118.70 121.72 3hmj s GLU 1507Ca 0.19 0.72 -0.21 0.00 0.36 0.00 0.00 54.97 56.03 3hmj s GLU 1507Cb -0.11 0.18 0.07 0.00 0.26 0.00 0.00 34.13 34.53 3hmj s GLU 1507CO 0.10 -0.09 0.66 0.00 -0.54 0.00 0.00 175.26 175.38 3hmj s ALA 1508N 0.63 -1.65 0.59 6.30 0.00 -0.56 -4.98 121.76 122.09 3hmj s ALA 1508Ca -0.03 1.95 0.04 0.00 0.00 0.00 0.00 51.96 53.92 3hmj s ALA 1508Cb -0.05 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.01 3hmj s ALA 1508CO -0.04 -0.32 0.82 0.20 0.00 0.00 0.00 175.76 176.41 3hmj s GLY 1509N 0.64 1.80 -1.24 0.00 0.00 -1.26 0.05 107.32 107.30 3hmj s GLY 1509Ca -0.02 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 42.79 3hmj s GLY 1509CO -0.04 -1.35 0.36 0.00 0.00 0.00 0.00 173.10 172.08 3hmj n ALA 1510N -2.39 -0.89 -1.23 3.20 0.00 0.14 -4.81 120.51 114.53 3hmj n ALA 1510Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 3hmj n ALA 1510Cb 0.60 -1.57 0.13 0.00 0.00 0.00 0.00 19.45 18.61 3hmj n ALA 1510CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hmj n SER 1511N -1.43 -0.94 0.00 0.00 2.88 -1.14 -4.88 113.62 108.12 3hmj n SER 1511Ca 0.05 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 3hmj n SER 1511Cb 0.32 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 3hmj n SER 1511CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3hmj n HIS 1512N -3.50 0.00 -3.91 0.66 -0.00 -1.26 -2.58 115.22 104.63 3hmj n HIS 1512Ca 0.09 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.18 3hmj n HIS 1512Cb 0.33 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.18 3hmj n HIS 1512CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3hmj s GLY 1513N -0.49 0.41 -0.43 1.57 0.00 -1.26 -4.76 107.32 102.36 3hmj s GLY 1513Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 3hmj s GLY 1513CO 0.00 -0.41 0.32 0.21 0.00 0.00 0.00 173.10 173.22 3hmj s ASN 1514N -3.03 6.07 0.14 1.64 3.84 -1.26 -4.96 114.94 117.38 3hmj s ASN 1514Ca 0.18 -1.10 -0.14 0.00 0.21 0.00 0.00 52.86 52.01 3hmj s ASN 1514Cb -0.04 -2.15 -0.00 0.00 -0.55 0.00 0.00 41.25 38.52 3hmj s ASN 1514CO 0.10 -0.52 1.60 -0.65 -2.79 0.00 0.00 177.10 174.84 3hmj h PRO 1515N 8.65 0.76 -0.28 0.43 0.11 -2.00 -2.63 132.00 137.03 3hmj h PRO 1515Ca -0.27 -0.23 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3hmj h PRO 1515Cb 1.11 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hmj h PRO 1515CO 0.78 0.81 0.11 0.28 -0.21 0.00 0.00 178.00 179.77 3hmj h VAL 1516N 0.61 0.94 -0.34 3.15 2.07 -1.99 -0.51 116.25 120.17 3hmj h VAL 1516Ca 0.13 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 3hmj h VAL 1516Cb 0.44 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3hmj h VAL 1516CO 0.02 0.04 -0.36 0.58 0.02 0.00 0.00 177.57 177.87 3hmj h VAL 1517N 0.24 1.28 -0.21 2.57 2.07 -1.99 -1.78 116.25 118.44 3hmj h VAL 1517Ca 0.12 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3hmj h VAL 1517Cb 0.08 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3hmj h VAL 1517CO -0.12 0.50 0.14 -0.78 0.02 0.00 0.00 177.57 177.34 3hmj h ASP 1518N 0.66 0.24 0.31 0.57 1.82 -1.24 0.14 116.42 118.92 3hmj h ASP 1518Ca 0.06 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3hmj h ASP 1518Cb 0.92 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.83 3hmj h ASP 1518CO 0.08 0.17 -0.50 0.15 -1.61 0.00 0.00 179.24 177.54 3hmj h PHE 1519N 0.28 -1.40 -0.53 0.28 3.57 -1.00 -2.14 116.94 116.00 3hmj h PHE 1519Ca 0.08 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3hmj h PHE 1519Cb -0.03 0.57 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3hmj h PHE 1519CO -0.06 -0.62 0.35 -0.07 -2.23 0.00 0.00 178.31 175.68 3hmj h LEU 1520N -0.86 0.41 0.61 0.59 3.38 -1.20 0.33 115.31 118.56 3hmj h LEU 1520Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hmj h LEU 1520Cb 0.80 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hmj h LEU 1520CO -0.17 0.27 -0.32 0.11 0.09 0.00 0.00 178.44 178.42 3hmj h LYS 1521N 0.47 -0.83 -0.11 1.13 1.57 -0.38 -1.64 116.57 116.77 3hmj h LYS 1521Ca 0.23 0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.85 3hmj h LYS 1521Cb 0.31 0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hmj h LYS 1521CO -0.06 -0.55 -0.80 0.00 -0.57 0.00 0.00 179.45 177.46 3hmj h ARG 1522N -0.86 0.68 -0.65 3.15 3.08 -0.92 -3.27 114.38 115.60 3hmj h ARG 1522Ca -0.08 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3hmj h ARG 1522Cb 0.67 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3hmj h ARG 1522CO 0.12 1.19 0.00 0.09 -1.07 0.00 0.00 179.97 180.30 3hmj n ASN 1523N -3.90 4.30 -1.41 7.04 3.02 0.11 -4.95 115.26 119.48 3hmj n ASN 1523Ca -0.07 -2.55 -0.02 0.00 -0.03 0.00 0.00 54.58 51.91 3hmj n ASN 1523Cb 0.76 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3hmj n ASN 1523CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hmj n GLY 1524N 0.72 2.14 3.44 7.41 0.00 -0.62 -4.83 105.19 113.44 3hmj n GLY 1524Ca 0.21 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 3hmj n GLY 1524CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hmj s SER 1525N -1.47 3.39 -0.37 1.61 1.04 -0.63 -4.82 113.70 112.45 3hmj s SER 1525Ca 0.04 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.42 3hmj s SER 1525Cb -0.01 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.90 3hmj s SER 1525CO 0.03 0.04 0.18 0.42 0.98 0.00 0.00 173.24 174.89 3hmj s THR 1526N -2.28 4.09 -0.37 2.02 -4.23 -1.26 -1.05 115.64 112.57 3hmj s THR 1526Ca 0.26 -1.18 -0.29 0.00 -1.18 0.00 0.00 61.69 59.30 3hmj s THR 1526Cb -0.06 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.40 3hmj s THR 1526CO 0.12 -0.31 1.56 -0.76 -0.54 0.00 0.00 174.62 174.69 3hmj s LEU 1527N 1.44 3.59 -0.44 4.79 1.43 -0.55 -4.98 118.68 123.95 3hmj s LEU 1527Ca 0.01 1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 54.07 3hmj s LEU 1527Cb -0.21 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3hmj s LEU 1527CO 0.03 -1.51 0.31 -1.61 0.23 0.00 0.00 176.35 173.80 3hmj s GLU 1528N 5.14 2.66 0.00 1.70 8.01 -1.26 -4.16 118.70 130.79 3hmj s GLU 1528Ca 0.68 -1.51 -0.00 0.00 0.01 0.00 0.00 54.97 54.15 3hmj s GLU 1528Cb -0.18 -3.88 -0.01 0.00 -4.31 0.00 0.00 34.13 25.75 3hmj s GLU 1528CO 0.33 -1.02 0.47 1.04 0.01 0.00 0.00 175.26 176.08 3hmj n GLN 1529N 4.97 0.11 -3.64 1.61 6.02 -1.26 -4.50 117.38 120.69 3hmj n GLN 1529Ca -0.10 -0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.57 3hmj n GLN 1529Cb 0.43 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.02 3hmj n GLN 1529CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3hmj s LYS 1530N 2.42 0.33 -0.15 -1.09 2.20 -1.26 -4.87 119.74 117.33 3hmj s LYS 1530Ca 0.03 -0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3hmj s LYS 1530Cb 0.01 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 3hmj s LYS 1530CO 0.00 -0.76 -0.04 0.08 -0.36 0.00 0.00 175.35 174.26 3hmj s VAL 1531N 2.00 3.84 0.02 4.02 1.01 -1.10 -5.04 120.40 125.15 3hmj s VAL 1531Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3hmj s VAL 1531Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3hmj s VAL 1531CO -0.16 0.51 0.13 0.20 0.00 0.00 0.00 175.10 175.77 3hmj s ASN 1532N 0.25 5.94 1.20 3.32 0.01 -1.26 -0.30 114.94 124.09 3hmj s ASN 1532Ca -0.03 0.19 -0.15 0.00 -0.71 0.00 0.00 52.86 52.15 3hmj s ASN 1532Cb -0.14 -1.75 0.23 0.00 0.41 0.00 0.00 41.25 39.99 3hmj s ASN 1532CO 0.03 0.23 0.77 0.18 -1.51 0.00 0.00 177.10 176.81 3hmj n LEU 1533N 0.82 0.00 -0.00 0.60 4.32 -0.38 -4.87 117.00 117.49 3hmj n LEU 1533Ca -0.10 -0.82 -0.10 0.00 -0.02 0.00 0.00 56.01 54.96 3hmj n LEU 1533Cb 0.52 -0.72 -0.08 0.00 -1.62 0.00 0.00 43.42 41.51 3hmj n LEU 1533CO 0.43 -1.90 0.36 -0.33 -1.22 0.00 0.00 177.39 174.74 3hmj h GLU 1534N 0.00 -0.10 -5.96 3.23 5.08 -1.98 -3.46 114.58 111.39 3hmj h GLU 1534Ca -0.30 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 3hmj h GLU 1534Cb 0.91 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 29.89 3hmj h GLU 1534CO 0.19 0.44 -0.85 -0.80 -1.00 0.00 0.00 179.01 176.99 3hmj s ASN 1535N -5.72 2.40 0.37 1.42 0.01 -1.26 -5.11 114.94 107.05 3hmj s ASN 1535Ca -0.13 -0.37 -0.27 0.00 -0.71 0.00 0.00 52.86 51.38 3hmj s ASN 1535Cb -0.01 -0.29 -0.11 0.00 0.41 0.00 0.00 41.25 41.25 3hmj s ASN 1535CO 0.49 0.25 1.33 -2.65 -1.51 0.00 0.00 177.10 175.01 3hmj n PRO 1536N 2.61 2.18 -3.82 -0.60 -0.02 -1.26 -4.94 135.00 129.15 3hmj n PRO 1536Ca -0.15 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 3hmj n PRO 1536Cb 0.53 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 3hmj n PRO 1536CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hmj s ILE 1537N -1.13 3.61 0.38 4.25 1.01 -0.11 -4.94 121.20 124.27 3hmj s ILE 1537Ca 0.57 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 3hmj s ILE 1537Cb -0.53 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 3hmj s ILE 1537CO 0.61 0.07 1.32 -2.84 0.00 0.00 0.00 174.94 174.11 3hmj s PRO 1538N 1.43 4.12 -0.15 2.79 0.02 -1.26 0.23 135.00 142.18 3hmj s PRO 1538Ca 0.01 2.21 -0.10 0.00 0.02 0.00 0.00 61.00 63.15 3hmj s PRO 1538Cb -0.17 -2.89 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 3hmj s PRO 1538CO 0.01 -0.39 -0.23 -0.89 -0.33 0.00 0.00 177.00 175.17 3hmj n ILE 1539N 0.39 1.12 -3.61 2.83 5.41 0.41 -4.82 119.36 121.08 3hmj n ILE 1539Ca 0.02 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 3hmj n ILE 1539Cb 0.43 -1.85 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 3hmj n ILE 1539CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hmj s ALA 1540N -2.41 -2.08 -0.24 -1.39 0.00 -1.08 -5.02 121.76 109.54 3hmj s ALA 1540Ca -0.23 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3hmj s ALA 1540Cb 0.07 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3hmj s ALA 1540CO 0.30 -0.46 -0.11 0.08 0.00 0.00 0.00 175.76 175.57 3hmj s VAL 1541N -1.86 2.49 0.15 0.00 1.01 -1.26 -1.30 120.40 119.62 3hmj s VAL 1541Ca 0.08 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 60.97 3hmj s VAL 1541Cb -0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hmj s VAL 1541CO -0.05 0.22 -0.09 -0.76 0.00 0.00 0.00 175.10 174.42 3hmj s LEU 1542N 1.25 3.04 -0.23 3.92 1.43 -0.40 -4.96 118.68 122.73 3hmj s LEU 1542Ca -0.01 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 3hmj s LEU 1542Cb -0.17 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3hmj s LEU 1542CO -0.07 0.13 0.15 -1.81 0.23 0.00 0.00 176.35 174.98 3hmj s ASP 1543N -2.58 6.01 0.36 2.29 1.01 -1.26 -1.35 116.67 121.14 3hmj s ASP 1543Ca 0.24 0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.66 3hmj s ASP 1543Cb -0.10 -2.08 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 3hmj s ASP 1543CO 0.15 0.07 -0.02 -0.55 0.21 0.00 0.00 175.17 175.02 3hmj s SER 1544N 1.02 3.43 -0.08 0.27 0.15 0.81 -4.94 113.70 114.37 3hmj s SER 1544Ca 0.07 -1.29 -0.08 0.00 0.70 0.00 0.00 55.95 55.35 3hmj s SER 1544Cb -0.13 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 3hmj s SER 1544CO 0.04 -0.38 0.22 -0.31 1.20 0.00 0.00 173.24 174.00 3hmj s TYR 1545N -2.82 -0.23 0.35 3.44 1.51 -1.26 -0.09 117.35 118.25 3hmj s TYR 1545Ca 0.34 0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 56.81 3hmj s TYR 1545Cb 0.07 0.08 -0.08 0.00 -0.11 0.00 0.00 41.96 41.91 3hmj s TYR 1545CO 0.16 -0.12 0.75 0.95 -1.11 0.00 0.00 175.55 176.18 3hmj s THR 1546N 0.04 4.71 0.80 -0.71 -4.23 -0.99 -5.00 115.64 110.26 3hmj s THR 1546Ca -0.01 0.86 -0.12 0.00 -1.18 0.00 0.00 61.69 61.23 3hmj s THR 1546Cb -0.02 -3.65 0.08 0.00 1.34 0.00 0.00 72.50 70.25 3hmj s THR 1546CO 0.00 -0.29 1.16 -2.84 -0.54 0.00 0.00 174.62 172.11 3hmj s PRO 1547N -3.26 1.82 0.11 3.99 0.02 -1.26 -2.85 135.00 133.58 3hmj s PRO 1547Ca 0.53 1.54 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 3hmj s PRO 1547Cb -0.10 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 3hmj s PRO 1547CO 0.22 -2.03 1.72 1.03 -0.33 0.00 0.00 177.00 177.60 3hmj h SER 1548N -0.99 0.28 -2.97 2.53 0.87 -1.96 -3.08 113.55 108.23 3hmj h SER 1548Ca -0.45 -0.08 -0.49 0.00 -1.23 0.00 0.00 61.79 59.54 3hmj h SER 1548Cb 1.27 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 63.02 3hmj h SER 1548CO 0.47 0.28 -0.68 0.42 -0.53 0.00 0.00 176.83 176.79 3hmj s THR 1549N -5.90 1.66 -0.69 2.23 -4.23 -1.26 -4.78 115.64 102.68 3hmj s THR 1549Ca -0.13 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 58.46 3hmj s THR 1549Cb 0.08 -2.40 -0.24 0.00 1.34 0.00 0.00 72.50 71.28 3hmj s THR 1549CO 0.70 -0.34 0.82 0.59 -0.54 0.00 0.00 174.62 175.85 3hmj n ASN 1550N -0.56 0.67 -0.19 3.99 3.02 -1.26 -4.53 115.26 116.40 3hmj n ASN 1550Ca -0.06 -0.61 -0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3hmj n ASN 1550Cb 0.63 1.23 0.07 0.00 -0.61 0.00 0.00 39.78 41.10 3hmj n ASN 1550CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hmj h GLU 1551N 0.00 0.05 -0.49 3.52 5.08 -1.97 -1.40 114.58 119.37 3hmj h GLU 1551Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3hmj h GLU 1551Cb 0.66 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 3hmj h GLU 1551CO 0.00 0.03 -0.24 -1.35 -1.00 0.00 0.00 179.01 176.45 3hmj h PRO 1552N 0.05 -0.13 -0.58 2.33 0.11 -1.97 0.56 132.00 132.38 3hmj h PRO 1552Ca 0.30 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 3hmj h PRO 1552Cb 0.47 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3hmj h PRO 1552CO -0.56 -0.09 -0.05 -0.92 -0.21 0.00 0.00 178.00 176.18 3hmj h TYR 1553N -0.13 1.17 -0.78 0.65 3.20 -1.62 -3.10 116.97 116.35 3hmj h TYR 1553Ca 0.23 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hmj h TYR 1553Cb 0.49 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3hmj h TYR 1553CO -0.52 1.05 0.52 0.00 -1.64 0.00 0.00 178.16 177.57 3hmj h ALA 1554N 0.97 1.45 -0.19 1.82 0.00 -0.38 -1.99 119.26 120.94 3hmj h ALA 1554Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hmj h ALA 1554Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hmj h ALA 1554CO 0.04 0.50 -0.01 -0.09 0.00 0.00 0.00 179.25 179.69 3hmj h ARG 1555N 1.05 0.34 -0.13 0.00 9.65 -0.85 -0.71 114.38 123.73 3hmj h ARG 1555Ca 0.29 -0.12 -0.11 0.00 -1.10 0.00 0.00 59.98 58.94 3hmj h ARG 1555Cb -0.11 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 3hmj h ARG 1555CO -0.07 0.56 -0.41 0.28 2.80 0.00 0.00 179.97 183.14 3hmj h VAL 1556N 0.09 1.31 0.00 0.20 2.07 -1.44 -3.33 116.25 115.15 3hmj h VAL 1556Ca 0.05 -1.54 -0.21 0.00 0.82 0.00 0.00 66.70 65.82 3hmj h VAL 1556Cb 0.42 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3hmj h VAL 1556CO 0.01 0.46 -1.79 -1.54 0.02 0.00 0.00 177.57 174.73 3hmj n SER 1557N -4.02 0.51 0.00 0.57 3.41 -0.77 -4.92 113.62 108.39 3hmj n SER 1557Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3hmj n SER 1557Cb 0.49 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 3hmj n SER 1557CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmj n GLY 1558N 1.49 0.64 3.34 5.00 0.00 -0.28 -4.69 105.19 110.69 3hmj n GLY 1558Ca -0.16 -0.49 -0.46 0.00 0.00 0.00 0.00 46.02 44.91 3hmj n GLY 1558CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hmj s ASP 1559N -2.44 6.96 -0.06 1.61 -1.08 -1.16 -4.80 116.67 115.69 3hmj s ASP 1559Ca 0.00 -2.99 0.08 0.00 -0.52 0.00 0.00 52.55 49.12 3hmj s ASP 1559Cb 0.00 -2.22 0.35 0.00 -1.46 0.00 0.00 42.92 39.60 3hmj s ASP 1559CO 0.00 -0.49 1.16 0.18 0.52 0.00 0.00 175.17 176.54 3hmj n LEU 1560N 3.61 2.64 -4.69 -1.34 7.99 -1.26 -4.63 117.00 119.32 3hmj n LEU 1560Ca 0.18 -1.33 -0.55 0.00 -0.01 0.00 0.00 56.01 54.30 3hmj n LEU 1560Cb 0.44 -0.43 -0.07 0.00 -0.11 0.00 0.00 43.42 43.26 3hmj n LEU 1560CO 0.38 0.44 1.40 -3.20 -1.51 0.00 0.00 177.39 174.91 3hmj n ASN 1561N 0.39 2.69 0.25 -1.43 2.85 -1.26 -4.82 115.26 113.92 3hmj n ASN 1561Ca 0.12 1.02 0.11 0.00 -0.11 0.00 0.00 54.58 55.72 3hmj n ASN 1561Cb 0.52 -1.21 0.64 0.00 1.24 0.00 0.00 39.78 40.98 3hmj n ASN 1561CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hmj h PRO 1562N 8.01 0.00 -1.14 1.20 0.11 -1.94 -2.80 132.00 135.43 3hmj h PRO 1562Ca -0.46 0.00 0.34 0.00 0.11 0.00 0.00 66.00 65.99 3hmj h PRO 1562Cb 1.31 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 3hmj h PRO 1562CO 0.96 0.16 0.72 0.82 -0.21 0.00 0.00 178.00 180.46 3hmj h ILE 1563N 0.00 0.33 0.00 4.15 2.04 -1.88 0.30 117.51 122.45 3hmj h ILE 1563Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3hmj h ILE 1563Cb 0.40 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3hmj h ILE 1563CO 0.02 0.05 -0.88 1.41 0.00 0.00 0.00 178.15 178.75 3hmj n HIS 1564N -4.73 0.38 0.00 1.37 8.25 -1.06 -4.00 115.22 115.44 3hmj n HIS 1564Ca 0.31 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 3hmj n HIS 1564Cb 1.12 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3hmj n HIS 1564CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hmj n VAL 1565N -2.03 0.00 -3.64 1.59 0.31 -0.47 -4.53 118.33 109.56 3hmj n VAL 1565Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.96 3hmj n VAL 1565Cb 0.44 -0.47 -0.12 0.00 -0.91 0.00 0.00 33.84 32.79 3hmj n VAL 1565CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3hmj s SER 1566N -3.59 5.58 0.48 4.52 0.01 0.93 -4.98 113.70 116.66 3hmj s SER 1566Ca 0.00 -0.67 0.20 0.00 1.31 0.00 0.00 55.95 56.79 3hmj s SER 1566Cb 0.00 -2.00 1.22 0.00 0.21 0.00 0.00 66.02 65.44 3hmj s SER 1566CO 0.00 -0.25 1.96 0.08 0.41 0.00 0.00 173.24 175.44 3hmj h ARG 1567N 8.37 0.21 0.00 12.44 0.11 -1.91 -1.19 114.38 132.41 3hmj h ARG 1567Ca -0.30 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.71 3hmj h ARG 1567Cb 1.13 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 3hmj h ARG 1567CO 0.63 0.14 -0.28 1.12 0.10 0.00 0.00 179.97 181.68 3hmj h HIS 1568N 0.22 0.00 0.08 4.08 2.07 -1.93 0.12 115.15 119.78 3hmj h HIS 1568Ca 0.30 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.66 3hmj h HIS 1568Cb 0.90 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.88 3hmj h HIS 1568CO -0.00 0.28 -0.80 0.74 -3.07 0.00 0.00 177.93 175.08 3hmj h PHE 1569N 0.00 0.30 -0.46 6.12 -1.00 -1.53 -2.31 116.94 118.06 3hmj h PHE 1569Ca -0.00 -0.22 0.09 0.00 2.81 0.00 0.00 57.97 60.65 3hmj h PHE 1569Cb 0.96 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 40.43 3hmj h PHE 1569CO 0.00 1.31 -0.02 0.00 -1.61 0.00 0.00 178.31 177.99 3hmj h ALA 1570N -0.05 0.42 -0.29 2.45 0.00 -1.30 -1.47 119.26 119.02 3hmj h ALA 1570Ca -0.17 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hmj h ALA 1570Cb 1.45 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3hmj h ALA 1570CO 0.04 -0.40 -0.12 1.03 0.00 0.00 0.00 179.25 179.80 3hmj h SER 1571N 0.10 0.48 0.51 0.00 0.87 -0.85 -2.50 113.55 112.16 3hmj h SER 1571Ca 0.23 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3hmj h SER 1571Cb 0.35 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3hmj h SER 1571CO -0.40 0.64 -0.44 0.22 -0.53 0.00 0.00 176.83 176.32 3hmj h TYR 1572N 0.46 0.00 -0.01 2.24 3.20 -0.71 -2.32 116.97 119.84 3hmj h TYR 1572Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hmj h TYR 1572Cb 0.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3hmj h TYR 1572CO 0.02 0.44 -0.24 0.00 -1.64 0.00 0.00 178.16 176.74 3hmj n ALA 1573N -2.42 3.02 -2.62 1.82 0.00 -0.65 -4.96 120.51 114.70 3hmj n ALA 1573Ca -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 3hmj n ALA 1573Cb 0.48 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.77 3hmj n ALA 1573CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hmj n ASN 1574N -0.86 -2.53 -4.77 0.00 3.02 -0.87 -5.03 115.26 104.21 3hmj n ASN 1574Ca 0.12 -0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 3hmj n ASN 1574Cb 0.33 -2.77 -0.05 0.00 -0.61 0.00 0.00 39.78 36.67 3hmj n ASN 1574CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hmj s LEU 1575N -4.14 3.54 0.00 3.41 1.43 -0.98 -4.99 118.68 116.95 3hmj s LEU 1575Ca 0.05 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3hmj s LEU 1575Cb -0.01 -2.08 0.30 0.00 0.03 0.00 0.00 46.19 44.44 3hmj s LEU 1575CO 0.36 -0.13 1.21 -2.65 0.23 0.00 0.00 176.35 175.37 3hmj n PRO 1576N -1.14 0.01 -1.92 1.29 -0.02 -1.26 -4.68 135.00 127.27 3hmj n PRO 1576Ca -0.06 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3hmj n PRO 1576Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3hmj n PRO 1576CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmj n GLY 1577N -0.78 -0.32 3.52 -1.23 0.00 -1.26 -5.01 105.19 100.10 3hmj n GLY 1577Ca 0.02 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 3hmj n GLY 1577CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hmj s THR 1578N -3.45 4.59 0.19 2.61 -4.23 -1.26 -4.79 115.64 109.30 3hmj s THR 1578Ca 0.00 -2.20 -0.31 0.00 -1.18 0.00 0.00 61.69 57.99 3hmj s THR 1578Cb 0.00 -5.03 -0.16 0.00 1.34 0.00 0.00 72.50 68.65 3hmj s THR 1578CO 0.00 -1.80 1.04 -0.38 -0.54 0.00 0.00 174.62 172.95 3hmj n ILE 1579N 5.50 1.23 -1.94 2.99 5.41 -1.26 -4.38 119.36 126.91 3hmj n ILE 1579Ca 0.41 -0.31 -0.40 0.00 1.00 0.00 0.00 62.75 63.45 3hmj n ILE 1579Cb 0.45 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 3hmj n ILE 1579CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3hmj s THR 1580N -0.48 2.36 -0.10 1.39 2.01 0.13 -4.52 115.64 116.44 3hmj s THR 1580Ca 0.70 0.33 -0.35 0.00 0.31 0.00 0.00 61.69 62.68 3hmj s THR 1580Cb -0.85 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.35 3hmj s THR 1580CO 0.55 0.05 1.87 1.41 -0.69 0.00 0.00 174.62 177.81 3hmj n HIS 1581N 0.05 2.31 0.15 4.92 -0.00 -1.26 -4.70 115.22 116.69 3hmj n HIS 1581Ca 0.04 0.03 0.17 0.00 -0.00 0.00 0.00 57.72 57.96 3hmj n HIS 1581Cb 0.42 -2.65 0.77 0.00 -0.00 0.00 0.00 29.99 28.54 3hmj n HIS 1581CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3hmj h GLY 1582N 9.03 0.00 1.65 -1.41 0.00 -1.96 0.34 103.07 110.72 3hmj h GLY 1582Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 3hmj h GLY 1582CO 0.95 0.00 -0.54 -0.33 0.00 0.00 0.00 176.54 176.62 3hmj h MET 1583N 0.00 0.37 0.30 4.80 2.86 -2.00 -2.54 114.93 118.72 3hmj h MET 1583Ca 0.13 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3hmj h MET 1583Cb 0.63 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hmj h MET 1583CO -0.00 0.81 -0.17 0.35 1.06 0.00 0.00 176.91 178.96 3hmj h PHE 1584N 0.28 -0.43 -0.73 -0.22 3.57 -1.29 -1.54 116.94 116.57 3hmj h PHE 1584Ca 0.01 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.63 3hmj h PHE 1584Cb 1.03 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 3hmj h PHE 1584CO 0.03 -0.26 0.49 0.77 -2.23 0.00 0.00 178.31 177.10 3hmj h SER 1585N -0.44 0.43 -0.05 0.41 0.02 -1.49 0.72 113.55 113.15 3hmj h SER 1585Ca -0.04 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hmj h SER 1585Cb 0.35 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3hmj h SER 1585CO 0.05 0.23 0.02 -1.28 -1.14 0.00 0.00 176.83 174.71 3hmj h SER 1586N 0.46 0.06 1.02 3.07 0.87 -0.96 -0.10 113.55 117.97 3hmj h SER 1586Ca 0.35 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.62 3hmj h SER 1586Cb 0.73 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 3hmj h SER 1586CO -0.12 0.17 -0.78 0.00 -0.53 0.00 0.00 176.83 175.58 3hmj h ALA 1587N 0.89 0.58 -0.08 6.23 0.00 -0.29 -2.11 119.26 124.49 3hmj h ALA 1587Ca 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 3hmj h ALA 1587Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hmj h ALA 1587CO -0.00 0.97 -0.11 1.03 0.00 0.00 0.00 179.25 181.13 3hmj h SER 1588N 0.00 0.24 -0.43 0.00 0.87 0.50 -1.87 113.55 112.86 3hmj h SER 1588Ca -0.01 -0.53 -0.09 0.00 -1.23 0.00 0.00 61.79 59.94 3hmj h SER 1588Cb 1.50 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3hmj h SER 1588CO 0.10 0.72 -0.07 0.58 -0.53 0.00 0.00 176.83 177.63 3hmj h VAL 1589N -0.24 1.27 -0.72 2.23 2.07 -1.09 -3.02 116.25 116.76 3hmj h VAL 1589Ca 0.01 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.47 3hmj h VAL 1589Cb 0.67 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3hmj h VAL 1589CO 0.03 0.39 0.35 -0.09 0.02 0.00 0.00 177.57 178.27 3hmj h ARG 1590N 0.63 0.58 -0.96 1.57 2.43 -1.38 0.24 114.38 117.49 3hmj h ARG 1590Ca 0.11 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.41 3hmj h ARG 1590Cb 0.59 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.92 3hmj h ARG 1590CO 0.04 0.38 0.61 0.00 -1.51 0.00 0.00 179.97 179.49 3hmj h ALA 1591N 1.44 1.74 -0.08 2.80 0.00 -1.21 0.33 119.26 124.27 3hmj h ALA 1591Ca 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3hmj h ALA 1591Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hmj h ALA 1591CO -0.28 -0.03 0.02 -0.07 0.00 0.00 0.00 179.25 178.89 3hmj h LEU 1592N 0.77 0.13 -0.69 0.00 3.38 -0.94 -0.13 115.31 117.84 3hmj h LEU 1592Ca 0.51 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3hmj h LEU 1592Cb 0.77 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3hmj h LEU 1592CO -0.28 0.35 0.42 0.40 0.09 0.00 0.00 178.44 179.43 3hmj h ILE 1593N -0.09 1.08 -0.25 1.22 1.08 -0.66 -0.47 117.51 119.42 3hmj h ILE 1593Ca 0.03 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3hmj h ILE 1593Cb 0.27 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 3hmj h ILE 1593CO 0.00 0.15 0.16 -0.08 -0.69 0.00 0.00 178.15 177.69 3hmj h GLU 1594N 0.82 0.33 0.33 2.37 4.81 -0.20 0.72 114.58 123.76 3hmj h GLU 1594Ca 0.28 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3hmj h GLU 1594Cb 0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3hmj h GLU 1594CO -0.12 0.23 -0.16 -0.97 -0.73 0.00 0.00 179.01 177.26 3hmj h ASN 1595N 0.33 -0.38 0.79 1.04 -0.73 -0.73 -2.24 115.58 113.67 3hmj h ASN 1595Ca 0.09 -0.16 -0.09 0.00 1.87 0.00 0.00 56.30 58.00 3hmj h ASN 1595Cb -0.03 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 3hmj h ASN 1595CO -0.02 -0.00 -1.27 0.79 -0.37 0.00 0.00 177.43 176.55 3hmj n TRP 1596N -5.14 0.94 -0.10 0.67 7.02 -0.21 -1.31 117.44 119.32 3hmj n TRP 1596Ca -0.10 0.29 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 3hmj n TRP 1596Cb 0.27 -1.02 -0.16 0.00 -2.42 0.00 0.00 31.31 27.99 3hmj n TRP 1596CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hmj n ALA 1597N -2.30 1.49 0.05 6.99 0.00 0.23 -4.35 120.51 122.62 3hmj n ALA 1597Ca -0.06 -1.28 0.07 0.00 0.00 0.00 0.00 53.44 52.17 3hmj n ALA 1597Cb 0.71 -0.22 0.15 0.00 0.00 0.00 0.00 19.45 20.09 3hmj n ALA 1597CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj n ALA 1598N -2.77 2.31 -3.09 0.00 0.00 -1.08 -4.96 120.51 110.92 3hmj n ALA 1598Ca -0.33 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 51.90 3hmj n ALA 1598Cb 1.14 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 20.09 3hmj n ALA 1598CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hmj n ASP 1599N 0.80 -5.92 -3.31 0.00 2.03 -0.78 -1.60 116.55 107.77 3hmj n ASP 1599Ca 0.13 -0.31 -0.24 0.00 0.52 0.00 0.00 54.79 54.89 3hmj n ASP 1599Cb 0.43 -4.78 0.05 0.00 -0.72 0.00 0.00 41.12 36.10 3hmj n ASP 1599CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3hmj n SER 1600N -2.53 -5.93 -4.20 1.67 2.88 -0.42 -4.95 113.62 100.13 3hmj n SER 1600Ca -0.10 -0.42 -0.41 0.00 -1.33 0.00 0.00 58.87 56.61 3hmj n SER 1600Cb 0.61 -4.75 -0.06 0.00 -0.75 0.00 0.00 64.21 59.26 3hmj n SER 1600CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hmj s VAL 1601N -3.22 4.69 0.28 2.46 1.01 -0.63 -4.88 120.40 120.12 3hmj s VAL 1601Ca 0.43 -2.97 0.02 0.00 0.00 0.00 0.00 61.98 59.47 3hmj s VAL 1601Cb -0.20 -3.94 0.38 0.00 0.00 0.00 0.00 36.38 32.61 3hmj s VAL 1601CO 0.54 -0.99 1.40 -0.24 0.00 0.00 0.00 175.10 175.81 3hmj n SER 1602N 3.41 -0.09 -0.34 3.32 2.88 -1.26 -0.22 113.62 121.31 3hmj n SER 1602Ca 0.13 1.52 0.23 0.00 -1.33 0.00 0.00 58.87 59.42 3hmj n SER 1602Cb 0.41 -0.56 0.49 0.00 -0.75 0.00 0.00 64.21 63.80 3hmj n SER 1602CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3hmj h SER 1603N 0.00 0.49 -0.23 -3.46 0.87 -1.96 -3.17 113.55 106.08 3hmj h SER 1603Ca 0.55 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 61.15 3hmj h SER 1603Cb 1.14 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3hmj h SER 1603CO -0.84 0.04 -0.11 0.03 -0.53 0.00 0.00 176.83 175.43 3hmj h ARG 1604N 0.40 0.49 -6.26 2.24 3.08 -0.96 -3.41 114.38 109.95 3hmj h ARG 1604Ca 0.64 -0.21 -0.55 0.00 0.07 0.00 0.00 59.98 59.93 3hmj h ARG 1604Cb 1.57 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.60 3hmj h ARG 1604CO -0.38 0.75 1.18 0.54 -1.07 0.00 0.00 179.97 180.99 3hmj s VAL 1605N -4.60 3.39 -0.21 2.04 0.11 -1.20 -2.77 120.40 117.17 3hmj s VAL 1605Ca -0.13 0.46 0.05 0.00 -2.93 0.00 0.00 61.98 59.43 3hmj s VAL 1605Cb 0.07 -3.34 -0.06 0.00 -1.53 0.00 0.00 36.38 31.52 3hmj s VAL 1605CO 0.77 -0.09 0.20 0.54 -3.33 0.00 0.00 175.10 173.19 3hmj n ARG 1606N 7.52 4.74 -3.76 1.54 1.74 -1.06 -5.00 116.66 122.37 3hmj n ARG 1606Ca 0.20 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 3hmj n ARG 1606Cb 0.43 -0.78 -0.13 0.00 -1.02 0.00 0.00 32.46 30.96 3hmj n ARG 1606CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hmj s GLY 1607N -1.60 -0.13 -0.06 -0.13 0.00 -1.24 -1.78 107.32 102.37 3hmj s GLY 1607Ca 0.01 0.76 -0.09 0.00 0.00 0.00 0.00 44.72 45.41 3hmj s GLY 1607CO 0.21 0.87 0.23 -0.47 0.00 0.00 0.00 173.10 173.94 3hmj s TYR 1608N 0.72 -0.20 0.02 1.90 5.04 -0.92 0.22 117.35 124.13 3hmj s TYR 1608Ca -0.05 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.93 3hmj s TYR 1608Cb -0.06 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.32 3hmj s TYR 1608CO -0.04 -0.20 0.21 -0.08 -1.34 0.00 0.00 175.55 174.10 3hmj s THR 1609N -0.37 0.09 -0.08 4.34 -1.32 -0.69 -1.33 115.64 116.27 3hmj s THR 1609Ca -0.05 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.62 3hmj s THR 1609Cb -0.03 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 3hmj s THR 1609CO 0.01 -0.42 0.19 0.00 -2.21 0.00 0.00 174.62 172.19 3hmj s GLN 1611N 1.25 3.47 -1.04 0.00 -1.52 0.37 -2.49 119.66 119.69 3hmj s GLN 1611Ca -0.09 -0.58 -0.19 0.00 -1.95 0.00 0.00 55.36 52.55 3hmj s GLN 1611Cb -0.11 -3.10 0.10 0.00 -0.22 0.00 0.00 33.01 29.68 3hmj s GLN 1611CO -0.07 -0.18 1.34 -0.06 -0.25 0.00 0.00 175.29 176.07 3hmj s PHE 1612N 1.49 2.95 0.05 0.91 0.08 -0.28 -2.46 117.98 120.72 3hmj s PHE 1612Ca 0.06 -1.35 -0.30 0.00 0.12 0.00 0.00 56.93 55.45 3hmj s PHE 1612Cb -0.14 -4.47 -0.18 0.00 -0.57 0.00 0.00 43.02 37.66 3hmj s PHE 1612CO -0.01 -1.65 1.45 0.28 -0.10 0.00 0.00 175.22 175.19 3hmj h VAL 1613N 5.94 0.35 -4.34 -0.44 2.07 -1.41 -3.47 116.25 114.96 3hmj h VAL 1613Ca 0.23 -0.18 -0.43 0.00 0.82 0.00 0.00 66.70 67.14 3hmj h VAL 1613Cb 0.98 0.42 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 3hmj h VAL 1613CO 1.27 0.02 -0.53 -0.62 0.02 0.00 0.00 177.57 177.73 3hmj s ASP 1614N -4.55 1.50 0.44 0.57 2.15 -1.08 -4.98 116.67 110.72 3hmj s ASP 1614Ca -0.16 -1.63 -0.10 0.00 0.43 0.00 0.00 52.55 51.08 3hmj s ASP 1614Cb 0.03 0.47 -0.06 0.00 -0.30 0.00 0.00 42.92 43.06 3hmj s ASP 1614CO 0.57 -0.96 0.80 -0.04 -0.17 0.00 0.00 175.17 175.37 3hmj s MET 1615N -3.70 3.74 -0.02 4.34 -1.94 -1.26 -4.81 119.30 115.65 3hmj s MET 1615Ca 0.37 0.47 0.02 0.00 -1.71 0.00 0.00 55.69 54.85 3hmj s MET 1615Cb 0.04 -2.35 0.00 0.00 2.01 0.00 0.00 34.83 34.53 3hmj s MET 1615CO 0.21 -0.11 -0.09 0.08 -0.01 0.00 0.00 175.02 175.10 3hmj s VAL 1616N -2.49 0.76 0.34 -6.03 1.01 -1.26 -5.03 120.40 107.70 3hmj s VAL 1616Ca 0.51 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 3hmj s VAL 1616Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3hmj s VAL 1616CO 0.35 0.24 0.64 -0.76 0.00 0.00 0.00 175.10 175.57 3hmj s LEU 1617N 0.13 3.95 0.52 3.92 1.43 -1.26 0.22 118.68 127.59 3hmj s LEU 1617Ca -0.02 0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 53.72 3hmj s LEU 1617Cb -0.08 -3.71 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3hmj s LEU 1617CO 0.00 -0.30 1.24 -2.65 0.23 0.00 0.00 176.35 174.88 3hmj n PRO 1618N -1.19 1.57 -3.20 1.29 -0.02 -1.26 -3.12 135.00 129.07 3hmj n PRO 1618Ca -0.00 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3hmj n PRO 1618Cb 0.54 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3hmj n PRO 1618CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hmj n ASN 1619N -0.62 -4.78 -4.70 2.55 5.03 -1.13 -4.99 115.26 106.62 3hmj n ASN 1619Ca 0.10 -0.35 -0.31 0.00 0.87 0.00 0.00 54.58 54.89 3hmj n ASN 1619Cb 0.44 -3.43 -0.08 0.00 -1.02 0.00 0.00 39.78 35.69 3hmj n ASN 1619CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3hmj s THR 1620N -3.21 4.16 -0.01 3.41 -4.23 -1.18 -4.95 115.64 109.62 3hmj s THR 1620Ca 0.37 -0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 60.02 3hmj s THR 1620Cb -0.16 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3hmj s THR 1620CO 0.47 0.22 0.25 0.00 -0.54 0.00 0.00 174.62 175.03 3hmj s ALA 1621N -1.23 3.85 -0.31 3.99 0.00 -1.26 -2.34 121.76 124.46 3hmj s ALA 1621Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 3hmj s ALA 1621Cb -0.12 -2.06 0.10 0.00 0.00 0.00 0.00 23.12 21.05 3hmj s ALA 1621CO 0.16 0.64 0.12 -0.51 0.00 0.00 0.00 175.76 176.17 3hmj s LEU 1622N -1.62 1.66 -0.26 0.00 1.43 0.86 -3.62 118.68 117.13 3hmj s LEU 1622Ca 0.25 -1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 51.47 3hmj s LEU 1622Cb -0.13 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 3hmj s LEU 1622CO 0.14 -0.41 1.47 -0.54 0.23 0.00 0.00 176.35 177.24 3hmj s LYS 1623N 1.69 3.84 -0.09 1.70 1.02 -1.10 -0.14 119.74 126.68 3hmj s LYS 1623Ca 0.10 1.46 0.03 0.00 0.02 0.00 0.00 55.97 57.58 3hmj s LYS 1623Cb -0.17 -3.96 -0.01 0.00 -0.52 0.00 0.00 37.83 33.16 3hmj s LYS 1623CO -0.27 -1.22 -0.18 -0.08 -0.92 0.00 0.00 175.35 172.69 3hmj s THR 1624N 4.83 2.70 0.14 2.17 -1.32 -0.46 -1.31 115.64 122.39 3hmj s THR 1624Ca 0.64 -0.82 0.08 0.00 -1.21 0.00 0.00 61.69 60.39 3hmj s THR 1624Cb -0.21 -2.07 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 3hmj s THR 1624CO 0.26 0.56 -0.11 -0.94 -2.21 0.00 0.00 174.62 172.18 3hmj s SER 1625N -0.03 4.24 -0.04 8.08 1.04 -0.32 -1.27 113.70 125.41 3hmj s SER 1625Ca -0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3hmj s SER 1625Cb -0.14 -0.73 0.03 0.00 0.10 0.00 0.00 66.02 65.27 3hmj s SER 1625CO 0.04 0.15 -0.00 -0.63 0.98 0.00 0.00 173.24 173.78 3hmj s ILE 1626N -1.40 0.24 0.19 -1.02 1.01 -0.42 -1.98 121.20 117.81 3hmj s ILE 1626Ca 0.22 0.09 0.08 0.00 0.00 0.00 0.00 60.65 61.04 3hmj s ILE 1626Cb -0.10 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 3hmj s ILE 1626CO 0.14 0.18 -0.16 -1.10 0.00 0.00 0.00 174.94 174.00 3hmj s GLN 1627N 1.22 1.29 -0.42 2.79 -0.21 -0.45 -0.45 119.66 123.43 3hmj s GLN 1627Ca -0.07 -1.51 -0.18 0.00 0.02 0.00 0.00 55.36 53.62 3hmj s GLN 1627Cb -0.13 -1.18 0.02 0.00 1.00 0.00 0.00 33.01 32.72 3hmj s GLN 1627CO -0.02 0.21 0.48 -1.58 -2.12 0.00 0.00 175.29 172.26 3hmj s HIS 1628N -2.61 3.15 -0.20 0.91 5.65 0.14 -1.78 115.29 120.54 3hmj s HIS 1628Ca 0.19 -0.29 0.12 0.00 0.25 0.00 0.00 55.06 55.34 3hmj s HIS 1628Cb -0.03 -2.98 -0.23 0.00 -1.18 0.00 0.00 32.58 28.16 3hmj s HIS 1628CO 0.07 -0.73 0.06 0.28 -0.65 0.00 0.00 174.74 173.76 3hmj n VAL 1629N 5.52 1.45 -2.88 0.89 0.31 -0.42 -0.93 118.33 122.27 3hmj n VAL 1629Ca -0.06 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 3hmj n VAL 1629Cb 0.48 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3hmj n VAL 1629CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hmj n GLY 1630N 1.87 1.17 3.23 2.92 0.00 -1.14 -1.25 105.19 111.99 3hmj n GLY 1630Ca -0.35 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 3hmj n GLY 1630CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hmj s MET 1631N 0.68 1.00 -0.15 1.61 -1.94 0.59 0.32 119.30 121.41 3hmj s MET 1631Ca 0.00 -1.28 -0.05 0.00 -1.71 0.00 0.00 55.69 52.65 3hmj s MET 1631Cb 0.00 -0.76 0.07 0.00 2.01 0.00 0.00 34.83 36.15 3hmj s MET 1631CO 0.00 0.13 0.29 -1.50 -0.01 0.00 0.00 175.02 173.93 3hmj s ILE 1632N -2.50 -0.45 -1.39 2.53 2.07 0.10 -2.70 121.20 118.86 3hmj s ILE 1632Ca 0.10 0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.45 3hmj s ILE 1632Cb -0.03 -0.52 0.08 0.00 0.13 0.00 0.00 42.46 42.13 3hmj s ILE 1632CO 0.02 0.07 0.61 0.59 -1.91 0.00 0.00 174.94 174.32 3hmj n ASN 1633N 5.36 -4.05 0.00 4.50 3.02 -1.26 -0.43 115.26 122.40 3hmj n ASN 1633Ca -0.06 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3hmj n ASN 1633Cb 0.50 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 3hmj n ASN 1633CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hmj n GLY 1634N -1.31 1.03 3.87 7.41 0.00 -1.11 -3.84 105.19 111.25 3hmj n GLY 1634Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3hmj n GLY 1634CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hmj s ARG 1635N -0.65 3.62 -0.07 1.61 0.52 0.43 -3.39 118.95 121.02 3hmj s ARG 1635Ca 0.00 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 3hmj s ARG 1635Cb 0.00 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3hmj s ARG 1635CO 0.00 0.67 1.42 0.15 0.02 0.00 0.00 175.30 177.55 3hmj s LYS 1636N -1.56 4.24 -0.16 3.54 1.02 2.77 -0.72 119.74 128.87 3hmj s LYS 1636Ca 0.26 1.92 -0.26 0.00 0.02 0.00 0.00 55.97 57.90 3hmj s LYS 1636Cb -0.14 -3.75 -0.01 0.00 -0.52 0.00 0.00 37.83 33.41 3hmj s LYS 1636CO 0.14 -0.68 0.87 -1.17 -0.92 0.00 0.00 175.35 173.59 3hmj s LEU 1637N 3.19 4.18 -0.10 3.17 0.20 0.15 0.52 118.68 129.99 3hmj s LEU 1637Ca 0.63 1.25 0.03 0.00 0.69 0.00 0.00 54.13 56.73 3hmj s LEU 1637Cb -0.29 -3.31 0.01 0.00 -0.43 0.00 0.00 46.19 42.18 3hmj s LEU 1637CO 0.23 -0.42 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.05 3hmj s ILE 1638N 2.18 1.72 -0.02 6.68 1.01 0.70 -1.29 121.20 132.18 3hmj s ILE 1638Ca 0.40 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3hmj s ILE 1638Cb -0.17 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3hmj s ILE 1638CO 0.13 0.48 -0.08 -0.54 0.00 0.00 0.00 174.94 174.94 3hmj s LYS 1639N 0.66 2.58 0.09 2.79 1.02 -0.74 -0.02 119.74 126.12 3hmj s LYS 1639Ca -0.13 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.20 3hmj s LYS 1639Cb -0.16 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 3hmj s LYS 1639CO 0.03 0.62 -0.07 -0.59 -0.92 0.00 0.00 175.35 174.42 3hmj s PHE 1640N -0.93 0.88 -0.12 3.18 -0.12 -0.74 -1.35 117.98 118.78 3hmj s PHE 1640Ca 0.15 -0.85 -0.06 0.00 -0.05 0.00 0.00 56.93 56.12 3hmj s PHE 1640Cb -0.11 -0.51 0.05 0.00 -0.63 0.00 0.00 43.02 41.82 3hmj s PHE 1640CO 0.05 -0.13 0.29 -2.00 -0.05 0.00 0.00 175.22 173.38 3hmj s GLU 1641N -3.53 0.25 -0.20 1.99 2.12 -0.84 -2.92 118.70 115.57 3hmj s GLU 1641Ca 0.09 0.61 -0.02 0.00 0.36 0.00 0.00 54.97 56.02 3hmj s GLU 1641Cb 0.03 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.34 3hmj s GLU 1641CO -0.04 -0.17 -0.10 0.99 -0.54 0.00 0.00 175.26 175.40 3hmj s THR 1642N 1.39 2.87 0.21 -1.70 2.01 0.40 -1.18 115.64 119.65 3hmj s THR 1642Ca -0.09 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.33 3hmj s THR 1642Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3hmj s THR 1642CO -0.10 0.47 0.01 -0.13 -0.69 0.00 0.00 174.62 174.19 3hmj s ARG 1643N 1.37 2.40 0.00 4.92 0.52 -0.43 -0.17 118.95 127.56 3hmj s ARG 1643Ca 0.05 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 3hmj s ARG 1643Cb -0.14 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3hmj s ARG 1643CO -0.07 0.42 0.00 0.27 0.02 0.00 0.00 175.30 175.94 3hmj n ASN 1644N -0.49 0.00 0.14 0.23 0.23 -0.74 -2.70 115.26 111.93 3hmj n ASN 1644Ca -0.08 -0.06 -0.00 0.00 -0.53 0.00 0.00 54.58 53.91 3hmj n ASN 1644Cb 0.57 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.42 3hmj n ASN 1644CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hmj h GLU 1645N 0.00 0.00 -0.27 -3.83 5.08 -1.91 -2.72 114.58 110.93 3hmj h GLU 1645Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hmj h GLU 1645Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hmj h GLU 1645CO 0.00 0.61 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 3hmj n ASP 1646N -3.62 1.47 -3.17 1.42 8.00 -1.26 -4.91 116.55 114.48 3hmj n ASP 1646Ca -0.01 -2.00 -0.20 0.00 0.71 0.00 0.00 54.79 53.30 3hmj n ASP 1646Cb 0.65 -0.18 0.07 0.00 -0.02 0.00 0.00 41.12 41.64 3hmj n ASP 1646CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hmj n ASP 1647N 0.30 -5.48 -4.48 -2.24 -0.08 -1.03 -5.01 116.55 98.53 3hmj n ASP 1647Ca 0.09 -0.47 -0.33 0.00 -1.51 0.00 0.00 54.79 52.57 3hmj n ASP 1647Cb 0.23 -4.43 -0.13 0.00 2.34 0.00 0.00 41.12 39.13 3hmj n ASP 1647CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3hmj s VAL 1648N -3.28 3.42 0.12 5.18 1.01 -1.26 -4.86 120.40 120.73 3hmj s VAL 1648Ca 0.46 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3hmj s VAL 1648Cb -0.20 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 3hmj s VAL 1648CO 0.63 0.55 1.24 -0.69 0.00 0.00 0.00 175.10 176.84 3hmj s VAL 1649N -0.20 3.70 -0.01 2.92 1.01 -1.26 -1.79 120.40 124.77 3hmj s VAL 1649Ca 0.02 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.29 3hmj s VAL 1649Cb -0.13 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3hmj s VAL 1649CO 0.03 0.14 -0.00 0.52 0.00 0.00 0.00 175.10 175.78 3hmj n VAL 1650N 3.41 0.08 -4.10 2.92 0.31 0.76 -4.01 118.33 117.70 3hmj n VAL 1650Ca 0.08 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 3hmj n VAL 1650Cb 0.45 -0.76 -0.12 0.00 -0.91 0.00 0.00 33.84 32.50 3hmj n VAL 1650CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hmj s LEU 1651N -4.59 2.20 -0.27 7.52 1.43 -0.98 -1.08 118.68 122.91 3hmj s LEU 1651Ca -0.01 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3hmj s LEU 1651Cb 0.00 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 46.09 3hmj s LEU 1651CO 0.04 -0.13 0.64 0.42 0.23 0.00 0.00 176.35 177.55 3hmj s THR 1652N -1.08 -0.15 0.03 5.49 -4.23 -1.03 -0.45 115.64 114.22 3hmj s THR 1652Ca -0.07 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 3hmj s THR 1652Cb -0.08 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.82 3hmj s THR 1652CO 0.00 0.01 0.05 0.61 -0.54 0.00 0.00 174.62 174.75 3hmj n GLY 1653N 4.49 2.16 3.03 3.99 0.00 -1.15 -0.48 105.19 117.24 3hmj n GLY 1653Ca -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 3hmj n GLY 1653CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hmj s GLU 1654N -2.02 0.24 0.19 1.61 -1.05 -0.99 -1.79 118.70 114.89 3hmj s GLU 1654Ca 0.01 0.00 0.10 0.00 -0.15 0.00 0.00 54.97 54.94 3hmj s GLU 1654Cb -0.00 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.75 3hmj s GLU 1654CO 0.01 -0.04 -0.21 0.00 0.95 0.00 0.00 175.26 175.97 3hmj s ALA 1655N -0.35 2.28 -0.59 -0.84 0.00 0.96 -1.71 121.76 121.51 3hmj s ALA 1655Ca -0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.28 3hmj s ALA 1655Cb -0.03 -0.25 0.15 0.00 0.00 0.00 0.00 23.12 23.00 3hmj s ALA 1655CO 0.00 0.31 0.42 -1.21 0.00 0.00 0.00 175.76 175.29 3hmj s GLU 1656N -2.82 2.57 0.01 0.00 2.02 0.13 -0.21 118.70 120.40 3hmj s GLU 1656Ca 0.19 -2.29 -0.22 0.00 0.02 0.00 0.00 54.97 52.68 3hmj s GLU 1656Cb -0.06 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.30 3hmj s GLU 1656CO 0.09 -1.17 0.64 0.42 0.02 0.00 0.00 175.26 175.26 3hmj s ILE 1657N 0.38 4.86 0.03 -1.63 1.01 0.18 -2.55 121.20 123.49 3hmj s ILE 1657Ca 0.14 1.36 -0.24 0.00 0.00 0.00 0.00 60.65 61.90 3hmj s ILE 1657Cb -0.20 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 3hmj s ILE 1657CO -0.04 0.40 0.73 -1.61 0.00 0.00 0.00 174.94 174.43 3hmj s GLU 1658N -0.14 4.46 0.72 2.79 0.41 -1.11 0.63 118.70 126.45 3hmj s GLU 1658Ca 0.33 1.00 -0.15 0.00 -0.41 0.00 0.00 54.97 55.75 3hmj s GLU 1658Cb -0.19 -3.36 0.03 0.00 -1.78 0.00 0.00 34.13 28.83 3hmj s GLU 1658CO 0.19 0.29 1.18 -0.65 -0.49 0.00 0.00 175.26 175.78 3hmj s GLN 1659N -0.06 2.29 0.50 1.61 -0.21 -1.22 -4.82 119.66 117.76 3hmj s GLN 1659Ca 0.37 1.64 -0.21 0.00 0.02 0.00 0.00 55.36 57.18 3hmj s GLN 1659Cb -0.20 -1.86 -0.08 0.00 1.00 0.00 0.00 33.01 31.86 3hmj s GLN 1659CO 0.22 -1.69 0.95 -2.30 -2.12 0.00 0.00 175.29 170.34 3hmj n PRO 1660N -2.69 1.11 -1.30 2.91 -0.02 -1.26 -4.70 135.00 129.06 3hmj n PRO 1660Ca 0.12 0.41 -0.56 0.00 -2.02 0.00 0.00 63.50 61.45 3hmj n PRO 1660Cb 0.51 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 3hmj n PRO 1660CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hmj n VAL 1661N -1.06 0.00 -4.50 -1.45 0.31 -1.26 -4.91 118.33 105.46 3hmj n VAL 1661Ca 0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.10 3hmj n VAL 1661Cb 0.43 -0.44 -0.10 0.00 -0.91 0.00 0.00 33.84 32.81 3hmj n VAL 1661CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hmj s THR 1662N 4.14 3.95 -0.07 2.52 2.01 -1.26 -5.11 115.64 121.81 3hmj s THR 1662Ca 1.00 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.60 3hmj s THR 1662Cb -1.33 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3hmj s THR 1662CO 0.65 0.57 -0.12 -0.89 -0.69 0.00 0.00 174.62 174.14 3hmj s THR 1663N -0.87 1.13 -0.20 -0.82 2.01 -1.26 -2.71 115.64 112.93 3hmj s THR 1663Ca 0.13 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 3hmj s THR 1663Cb -0.11 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3hmj s THR 1663CO 0.03 0.36 0.22 -0.36 -0.69 0.00 0.00 174.62 174.18 3hmj s PHE 1664N 0.81 3.40 -0.13 4.92 0.08 0.19 -4.99 117.98 122.27 3hmj s PHE 1664Ca -0.12 0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.38 3hmj s PHE 1664Cb -0.15 -2.29 -0.00 0.00 -0.57 0.00 0.00 43.02 40.00 3hmj s PHE 1664CO 0.02 0.18 -0.19 0.14 -0.10 0.00 0.00 175.22 175.27 3hmj s VAL 1665N 0.68 2.44 -0.21 -0.44 -7.23 -1.26 -1.38 120.40 112.99 3hmj s VAL 1665Ca 0.12 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.33 3hmj s VAL 1665Cb -0.13 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3hmj s VAL 1665CO 0.03 0.54 0.11 -0.36 -0.31 0.00 0.00 175.10 175.11 3hmj s PHE 1666N 0.55 3.28 0.44 2.82 0.40 -0.33 -5.00 117.98 120.14 3hmj s PHE 1666Ca -0.11 0.12 -0.24 0.00 -0.60 0.00 0.00 56.93 56.10 3hmj s PHE 1666Cb -0.16 -2.18 -0.08 0.00 0.51 0.00 0.00 43.02 41.11 3hmj s PHE 1666CO 0.04 0.09 1.17 0.99 0.70 0.00 0.00 175.22 178.20 3hmj s THR 1667N 0.77 3.12 0.20 0.64 2.01 -1.26 -1.92 115.64 119.20 3hmj s THR 1667Ca 0.06 0.88 0.03 0.00 0.31 0.00 0.00 61.69 62.97 3hmj s THR 1667Cb -0.13 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.95 3hmj s THR 1667CO 0.02 0.02 0.28 0.61 -0.69 0.00 0.00 174.62 174.86 3hmj n GLY 1668N 0.51 1.87 3.52 4.40 0.00 -1.25 -3.66 105.19 110.58 3hmj n GLY 1668Ca 0.06 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 3hmj n GLY 1668CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hmj s GLN 1669N -2.92 -0.79 0.00 1.61 -2.07 -1.26 -4.42 119.66 109.80 3hmj s GLN 1669Ca 0.21 0.69 0.00 0.00 -1.82 0.00 0.00 55.36 54.44 3hmj s GLN 1669Cb -0.02 -1.58 0.00 0.00 -1.09 0.00 0.00 33.01 30.32 3hmj s GLN 1669CO 0.13 -3.60 0.00 0.41 -1.32 0.00 0.00 175.29 170.91 3hmj n GLY 1670N 0.35 1.13 0.58 2.60 0.00 -1.26 -4.92 105.19 103.67 3hmj n GLY 1670Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3hmj n GLY 1670CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmj n SER 1671N 0.01 2.95 -4.71 1.61 3.41 -1.26 -5.01 113.62 110.62 3hmj n SER 1671Ca 0.00 -2.22 -0.42 0.00 -0.26 0.00 0.00 58.87 55.97 3hmj n SER 1671Cb 0.00 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3hmj n SER 1671CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hmj s GLN 1672N -1.38 4.22 0.12 4.33 1.11 -1.26 -5.00 119.66 121.79 3hmj s GLN 1672Ca 0.24 2.31 0.10 0.00 0.01 0.00 0.00 55.36 58.01 3hmj s GLN 1672Cb 0.15 -3.31 -0.04 0.00 -1.01 0.00 0.00 33.01 28.80 3hmj s GLN 1672CO 0.12 -0.62 -0.23 -1.21 0.01 0.00 0.00 175.29 173.36 3hmj s GLU 1673N 1.62 1.59 0.15 2.91 2.02 -1.26 -5.01 118.70 120.73 3hmj s GLU 1673Ca 0.70 -1.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.12 3hmj s GLU 1673Cb -0.41 -2.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.72 3hmj s GLU 1673CO 0.31 0.47 1.60 -1.14 0.02 0.00 0.00 175.26 176.52 3hmj s GLN 1674N -2.06 4.20 0.00 1.61 0.74 -1.26 -1.63 119.66 121.27 3hmj s GLN 1674Ca 0.16 2.38 0.00 0.00 0.05 0.00 0.00 55.36 57.94 3hmj s GLN 1674Cb -0.10 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.76 3hmj s GLN 1674CO 0.08 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 3hmj n GLY 1675N 3.83 0.87 3.56 2.59 0.00 0.11 -4.99 105.19 111.15 3hmj n GLY 1675Ca 0.14 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.60 3hmj n GLY 1675CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hmj n MET 1676N -2.00 0.55 -2.14 1.61 0.00 -0.65 -0.91 117.12 113.58 3hmj n MET 1676Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 57.70 57.76 3hmj n MET 1676Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 33.22 31.43 3hmj n MET 1676CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hmj n GLY 1677N 2.18 0.03 0.12 3.17 0.00 -1.26 -4.79 105.19 104.63 3hmj n GLY 1677Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 3hmj n GLY 1677CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hmj h MET 1678N 0.00 0.00 -0.20 1.61 -1.53 -1.44 -3.19 114.93 110.17 3hmj h MET 1678Ca -0.32 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 55.93 3hmj h MET 1678Cb 1.16 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.20 3hmj h MET 1678CO 0.41 0.24 0.10 -0.44 0.14 0.00 0.00 176.91 177.36 3hmj h ASP 1679N 0.00 0.26 0.31 1.39 3.32 -1.87 -2.67 116.42 117.16 3hmj h ASP 1679Ca -0.07 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3hmj h ASP 1679Cb 1.34 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 3hmj h ASP 1679CO 0.04 0.30 -0.16 0.25 -1.72 0.00 0.00 179.24 177.95 3hmj h LEU 1680N 0.21 0.00 -1.30 1.55 7.12 -1.95 -0.72 115.31 120.22 3hmj h LEU 1680Ca 0.07 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.02 3hmj h LEU 1680Cb 0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 3hmj h LEU 1680CO -0.01 0.16 -0.14 0.22 -0.13 0.00 0.00 178.44 178.53 3hmj h TYR 1681N 0.00 0.32 0.00 1.25 3.20 -1.46 -1.31 116.97 118.96 3hmj h TYR 1681Ca -0.00 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 3hmj h TYR 1681Cb 0.35 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3hmj h TYR 1681CO 0.00 0.44 -0.36 -0.22 -1.64 0.00 0.00 178.16 176.38 3hmj h LYS 1682N 0.28 0.00 0.00 1.82 3.64 -0.97 -3.39 116.57 117.95 3hmj h LYS 1682Ca 0.05 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.09 3hmj h LYS 1682Cb 0.43 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 3hmj h LYS 1682CO 0.03 0.36 -2.22 0.25 -2.27 0.00 0.00 179.45 175.60 3hmj n THR 1683N -3.21 1.21 -3.47 1.00 -2.24 -1.09 -5.01 114.28 101.46 3hmj n THR 1683Ca 0.02 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 3hmj n THR 1683Cb 0.66 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 3hmj n THR 1683CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hmj s SER 1684N -6.43 6.74 0.07 3.42 0.15 -0.51 -4.99 113.70 112.14 3hmj s SER 1684Ca -0.30 0.88 -0.16 0.00 0.70 0.00 0.00 55.95 57.07 3hmj s SER 1684Cb 0.09 -2.25 -0.13 0.00 -1.71 0.00 0.00 66.02 62.02 3hmj s SER 1684CO 0.45 0.24 1.33 0.50 1.20 0.00 0.00 173.24 176.95 3hmj h LYS 1685N 5.33 0.61 -0.75 5.44 1.63 -1.90 -2.88 116.57 124.05 3hmj h LYS 1685Ca -0.48 -0.40 0.13 0.00 -0.85 0.00 0.00 60.65 59.05 3hmj h LYS 1685Cb 1.21 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.80 3hmj h LYS 1685CO 0.66 1.01 0.33 0.00 -3.45 0.00 0.00 179.45 178.01 3hmj h ALA 1686N 0.59 1.07 0.53 5.00 0.00 -1.93 -2.00 119.26 122.52 3hmj h ALA 1686Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hmj h ALA 1686Cb 1.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hmj h ALA 1686CO 0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 179.25 178.91 3hmj h ALA 1687N 1.51 -0.74 -0.51 0.00 0.00 -1.75 -2.65 119.26 115.13 3hmj h ALA 1687Ca 0.40 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hmj h ALA 1687Cb 0.56 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3hmj h ALA 1687CO -0.36 -0.92 -0.05 1.96 0.00 0.00 0.00 179.25 179.88 3hmj h GLN 1688N -0.74 0.06 -0.79 0.00 4.20 -1.23 -0.88 115.11 115.73 3hmj h GLN 1688Ca -0.07 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.68 3hmj h GLN 1688Cb 0.58 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3hmj h GLN 1688CO 0.10 0.04 0.49 -0.44 -0.67 0.00 0.00 178.83 178.35 3hmj h ASP 1689N 0.07 0.78 0.52 1.46 5.19 -1.30 0.35 116.42 123.48 3hmj h ASP 1689Ca 0.25 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3hmj h ASP 1689Cb 0.39 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.75 3hmj h ASP 1689CO -0.47 0.52 -0.25 0.58 -3.12 0.00 0.00 179.24 176.50 3hmj h VAL 1690N 0.92 0.44 0.67 -1.35 2.07 -0.92 -1.66 116.25 116.43 3hmj h VAL 1690Ca 0.33 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3hmj h VAL 1690Cb 0.10 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3hmj h VAL 1690CO -0.15 0.04 -0.35 -0.50 0.02 0.00 0.00 177.57 176.64 3hmj h TRP 1691N -0.86 -0.90 -0.60 1.57 4.06 -1.03 -2.80 115.95 115.40 3hmj h TRP 1691Ca -0.07 -0.02 0.10 0.00 2.06 0.00 0.00 58.89 60.96 3hmj h TRP 1691Cb 0.60 0.30 -0.08 0.00 -1.00 0.00 0.00 29.16 28.99 3hmj h TRP 1691CO -0.01 -0.55 0.18 -0.91 -3.56 0.00 0.00 178.44 173.59 3hmj h ASN 1692N -0.94 0.12 -0.84 -3.49 2.35 -0.38 0.61 115.58 113.00 3hmj h ASN 1692Ca -0.09 0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3hmj h ASN 1692Cb 0.73 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.12 3hmj h ASN 1692CO 0.14 0.07 0.47 0.03 -1.65 0.00 0.00 177.43 176.49 3hmj h ARG 1693N 0.33 0.74 0.14 0.81 3.08 -1.28 -0.67 114.38 117.53 3hmj h ARG 1693Ca 0.31 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3hmj h ARG 1693Cb 0.42 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hmj h ARG 1693CO -0.35 0.49 -0.07 0.00 -1.07 0.00 0.00 179.97 178.97 3hmj h ALA 1694N 1.49 -0.19 -0.91 0.04 0.00 -0.82 -2.33 119.26 116.54 3hmj h ALA 1694Ca 0.42 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.26 3hmj h ALA 1694Cb 0.46 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3hmj h ALA 1694CO -0.28 -0.29 0.59 0.22 0.00 0.00 0.00 179.25 179.49 3hmj h ASP 1695N -0.82 0.62 0.13 0.00 3.58 0.26 0.75 116.42 120.94 3hmj h ASP 1695Ca -0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3hmj h ASP 1695Cb 0.54 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.52 3hmj h ASP 1695CO 0.03 0.29 -0.06 0.78 -2.88 0.00 0.00 179.24 177.39 3hmj h ASN 1696N 0.64 -0.15 -0.75 2.28 2.35 -1.14 -1.63 115.58 117.18 3hmj h ASN 1696Ca 0.47 -0.25 0.10 0.00 -0.55 0.00 0.00 56.30 56.07 3hmj h ASN 1696Cb 0.85 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.18 3hmj h ASN 1696CO -0.22 0.18 0.39 -0.74 -1.65 0.00 0.00 177.43 175.39 3hmj h HIS 1697N -0.49 0.70 -0.29 1.19 2.76 -0.57 -1.22 115.15 117.23 3hmj h HIS 1697Ca -0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3hmj h HIS 1697Cb 0.39 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3hmj h HIS 1697CO 0.03 0.26 0.13 0.74 -1.30 0.00 0.00 177.93 177.78 3hmj h PHE 1698N 0.65 0.44 -0.37 5.26 0.04 -0.88 -2.27 116.94 119.81 3hmj h PHE 1698Ca 0.37 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.17 3hmj h PHE 1698Cb 0.39 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3hmj h PHE 1698CO -0.09 0.42 0.08 0.87 -0.60 0.00 0.00 178.31 178.99 3hmj h LYS 1699N 0.33 0.20 -0.00 1.51 1.57 -0.48 -0.61 116.57 119.09 3hmj h LYS 1699Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hmj h LYS 1699Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3hmj h LYS 1699CO -0.01 0.13 -0.19 -0.25 -0.57 0.00 0.00 179.45 178.56 3hmj n ASP 1700N -5.08 0.35 0.00 0.86 8.00 -0.51 -1.80 116.55 118.37 3hmj n ASP 1700Ca 0.02 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3hmj n ASP 1700Cb 0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3hmj n ASP 1700CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hmj n THR 1701N -1.27 0.00 -0.12 -3.53 -2.24 -0.87 -4.83 114.28 101.42 3hmj n THR 1701Ca 0.10 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3hmj n THR 1701Cb 0.31 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3hmj n THR 1701CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hmj n TYR 1702N -1.07 0.00 -2.36 4.78 4.01 -0.32 -4.75 117.16 117.45 3hmj n TYR 1702Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3hmj n TYR 1702Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3hmj n TYR 1702CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hmj n GLY 1703N 0.31 0.24 3.16 2.72 0.00 -0.67 -4.97 105.19 105.98 3hmj n GLY 1703Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3hmj n GLY 1703CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hmj s PHE 1704N -2.58 0.50 -0.30 1.61 -0.12 -1.22 -4.82 117.98 111.05 3hmj s PHE 1704Ca 0.06 -0.96 -0.07 0.00 -0.05 0.00 0.00 56.93 55.91 3hmj s PHE 1704Cb -0.03 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 3hmj s PHE 1704CO 0.07 -0.49 0.09 0.45 -0.05 0.00 0.00 175.22 175.29 3hmj s SER 1705N -2.94 5.19 0.43 1.98 0.15 -1.26 -1.80 113.70 115.45 3hmj s SER 1705Ca 0.12 -0.69 0.16 0.00 0.70 0.00 0.00 55.95 56.24 3hmj s SER 1705Cb 0.07 -1.90 0.97 0.00 -1.71 0.00 0.00 66.02 63.45 3hmj s SER 1705CO -0.06 -0.19 1.94 -0.29 1.20 0.00 0.00 173.24 175.83 3hmj h ILE 1706N 5.84 1.07 -0.71 6.45 6.09 -1.93 -2.17 117.51 132.14 3hmj h ILE 1706Ca -0.31 -0.88 -0.02 0.00 -1.37 0.00 0.00 64.86 62.28 3hmj h ILE 1706Cb 1.13 1.49 -0.03 0.00 0.47 0.00 0.00 36.82 39.87 3hmj h ILE 1706CO 0.61 0.24 0.36 -0.07 -3.07 0.00 0.00 178.15 176.22 3hmj h LEU 1707N 0.00 0.92 0.68 2.19 3.38 -1.93 -1.99 115.31 118.56 3hmj h LEU 1707Ca -0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hmj h LEU 1707Cb 0.47 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hmj h LEU 1707CO 0.03 0.78 -0.33 -0.78 0.09 0.00 0.00 178.44 178.23 3hmj h ASP 1708N 0.99 -0.78 -0.84 -0.43 3.58 -1.80 0.49 116.42 117.64 3hmj h ASP 1708Ca 0.25 0.01 0.19 0.00 0.42 0.00 0.00 57.03 57.90 3hmj h ASP 1708Cb 0.09 0.20 -0.12 0.00 1.72 0.00 0.00 39.33 41.22 3hmj h ASP 1708CO -0.03 -0.53 0.31 0.40 -2.88 0.00 0.00 179.24 176.51 3hmj h ILE 1709N -0.96 0.50 -0.15 2.25 2.04 -1.43 0.15 117.51 119.92 3hmj h ILE 1709Ca -0.09 -0.12 -0.21 0.00 1.00 0.00 0.00 64.86 65.43 3hmj h ILE 1709Cb 0.72 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3hmj h ILE 1709CO 0.15 0.07 -0.76 0.58 0.00 0.00 0.00 178.15 178.19 3hmj h VAL 1710N 0.36 1.29 -0.12 1.67 2.07 -1.14 -3.13 116.25 117.26 3hmj h VAL 1710Ca 0.50 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 3hmj h VAL 1710Cb 0.90 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3hmj h VAL 1710CO -0.52 0.63 -0.22 0.40 0.02 0.00 0.00 177.57 177.88 3hmj h ILE 1711N 0.51 1.38 -2.96 4.57 2.04 0.23 0.33 117.51 123.60 3hmj h ILE 1711Ca -0.04 -1.49 -0.55 0.00 1.00 0.00 0.00 64.86 63.77 3hmj h ILE 1711Cb 1.37 2.07 -0.40 0.00 -0.74 0.00 0.00 36.82 39.12 3hmj h ILE 1711CO 0.15 0.43 -0.77 0.54 0.00 0.00 0.00 178.15 178.51 3hmj s ASN 1712N -6.24 3.77 -0.67 1.72 2.20 0.30 -4.43 114.94 111.58 3hmj s ASN 1712Ca -0.14 -1.45 -0.33 0.00 -0.94 0.00 0.00 52.86 50.00 3hmj s ASN 1712Cb 0.05 -0.59 -0.16 0.00 -2.00 0.00 0.00 41.25 38.54 3hmj s ASN 1712CO 0.76 -0.43 2.44 -3.20 -2.94 0.00 0.00 177.10 173.74 3hmj n ASN 1713N 5.06 1.19 -4.70 3.54 2.85 -1.18 -4.56 115.26 117.46 3hmj n ASN 1713Ca -0.04 0.16 -0.42 0.00 -0.11 0.00 0.00 54.58 54.17 3hmj n ASN 1713Cb 0.42 -1.13 -0.03 0.00 1.24 0.00 0.00 39.78 40.28 3hmj n ASN 1713CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3hmj s PRO 1714N 7.79 4.48 0.15 1.20 0.02 -1.26 -4.81 135.00 142.57 3hmj s PRO 1714Ca 1.20 1.29 -0.20 0.00 0.02 0.00 0.00 61.00 63.31 3hmj s PRO 1714Cb -0.98 -3.49 0.04 0.00 0.02 0.00 0.00 34.50 30.09 3hmj s PRO 1714CO 0.47 -0.12 1.66 0.28 -0.33 0.00 0.00 177.00 178.95 3hmj h VAL 1715N 4.90 0.55 -3.69 3.83 2.07 -1.83 -1.14 116.25 120.95 3hmj h VAL 1715Ca -0.37 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.77 3hmj h VAL 1715Cb 1.19 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 31.36 3hmj h VAL 1715CO 0.79 0.00 -0.60 0.20 0.02 0.00 0.00 177.57 177.97 3hmj s ASN 1716N -5.12 1.39 -0.29 0.57 0.01 -1.26 -2.83 114.94 107.41 3hmj s ASN 1716Ca -0.14 -1.42 -0.04 0.00 -0.71 0.00 0.00 52.86 50.55 3hmj s ASN 1716Cb 0.12 0.19 0.16 0.00 0.41 0.00 0.00 41.25 42.14 3hmj s ASN 1716CO 0.69 -0.75 0.59 -0.22 -1.51 0.00 0.00 177.10 175.89 3hmj s LEU 1717N -3.35 -1.22 -0.15 0.60 2.96 -0.91 -5.01 118.68 111.61 3hmj s LEU 1717Ca 0.37 1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 55.25 3hmj s LEU 1717Cb 0.07 2.08 -0.04 0.00 0.50 0.00 0.00 46.19 48.80 3hmj s LEU 1717CO 0.14 -0.25 0.05 0.42 -1.32 0.00 0.00 176.35 175.40 3hmj s THR 1718N 2.83 4.74 0.15 3.68 -4.23 -1.26 -1.38 115.64 120.17 3hmj s THR 1718Ca 0.11 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.39 3hmj s THR 1718Cb -0.14 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.54 3hmj s THR 1718CO -0.20 0.52 0.61 -0.63 -0.54 0.00 0.00 174.62 174.38 3hmj s ILE 1719N -0.13 4.74 -0.14 2.99 -1.09 -0.16 -4.97 121.20 122.45 3hmj s ILE 1719Ca 0.07 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.56 3hmj s ILE 1719Cb -0.12 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.96 3hmj s ILE 1719CO 0.01 0.30 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.82 3hmj s HIS 1720N -1.40 2.57 -1.29 3.97 3.76 -1.26 -2.48 115.29 119.16 3hmj s HIS 1720Ca 0.37 -1.31 -0.07 0.00 -0.15 0.00 0.00 55.06 53.90 3hmj s HIS 1720Cb -0.17 -1.77 0.15 0.00 1.11 0.00 0.00 32.58 31.91 3hmj s HIS 1720CO 0.20 -0.61 2.12 1.19 -0.85 0.00 0.00 174.74 176.78 3hmj n PHE 1721N 4.15 2.71 0.00 1.40 3.72 -0.34 -4.78 117.46 124.32 3hmj n PHE 1721Ca -0.20 -2.79 0.00 0.00 -0.05 0.00 0.00 57.45 54.41 3hmj n PHE 1721Cb 0.51 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 3hmj n PHE 1721CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hmj n GLY 1722N 2.10 -2.02 0.00 1.37 0.00 -1.26 -4.08 105.19 101.29 3hmj n GLY 1722Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3hmj n GLY 1722CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmj n GLY 1723N 0.44 0.84 0.39 -0.02 0.00 -1.26 -4.32 105.19 101.26 3hmj n GLY 1723Ca 0.00 -1.55 0.17 0.00 0.00 0.00 0.00 46.02 44.65 3hmj n GLY 1723CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hmj h GLU 1724N 0.00 0.32 0.05 1.61 4.81 -2.00 -0.20 114.58 119.17 3hmj h GLU 1724Ca 0.00 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 3hmj h GLU 1724Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3hmj h GLU 1724CO 0.00 0.21 -1.07 -0.22 -0.73 0.00 0.00 179.01 177.20 3hmj h LYS 1725N 0.33 0.15 -0.91 1.92 3.64 -1.97 -2.65 116.57 117.08 3hmj h LYS 1725Ca 0.37 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3hmj h LYS 1725Cb 0.97 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 3hmj h LYS 1725CO -0.10 1.08 0.59 0.78 -2.27 0.00 0.00 179.45 179.52 3hmj h GLY 1726N 2.19 1.33 1.35 5.01 0.00 -1.30 -2.18 103.07 109.47 3hmj h GLY 1726Ca -0.07 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.59 3hmj h GLY 1726CO 0.16 0.38 -0.85 0.50 0.00 0.00 0.00 176.54 176.72 3hmj h LYS 1727N 1.13 0.62 -0.70 4.80 1.57 -1.21 -2.56 116.57 120.22 3hmj h LYS 1727Ca 0.36 -0.56 0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3hmj h LYS 1727Cb 0.02 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 3hmj h LYS 1727CO -0.12 1.18 0.28 -0.09 -0.57 0.00 0.00 179.45 180.12 3hmj h ARG 1728N 0.39 0.44 -0.20 3.15 2.43 -1.28 -2.58 114.38 116.72 3hmj h ARG 1728Ca -0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3hmj h ARG 1728Cb 1.48 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3hmj h ARG 1728CO 0.16 0.29 0.11 0.82 -1.51 0.00 0.00 179.97 179.84 3hmj h ILE 1729N 0.45 1.12 0.00 1.20 1.08 -1.16 -3.13 117.51 117.07 3hmj h ILE 1729Ca 0.37 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3hmj h ILE 1729Cb 0.51 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 3hmj h ILE 1729CO -0.35 0.12 -0.24 0.08 -0.69 0.00 0.00 178.15 177.06 3hmj h ARG 1730N 0.21 0.00 -0.17 2.37 0.11 -1.07 -1.50 114.38 114.33 3hmj h ARG 1730Ca 0.07 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.04 3hmj h ARG 1730Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 3hmj h ARG 1730CO -0.01 0.24 -0.36 0.93 0.10 0.00 0.00 179.97 180.87 3hmj h GLU 1731N 0.00 0.36 0.00 0.08 5.08 -1.46 0.15 114.58 118.79 3hmj h GLU 1731Ca -0.00 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3hmj h GLU 1731Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hmj h GLU 1731CO 0.03 0.68 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.62 3hmj h ASN 1732N 0.31 0.00 0.90 1.42 2.35 -1.31 -0.88 115.58 118.37 3hmj h ASN 1732Ca 0.03 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 3hmj h ASN 1732Cb 0.78 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 3hmj h ASN 1732CO 0.06 0.18 -1.12 1.88 -1.65 0.00 0.00 177.43 176.79 3hmj h TYR 1733N 0.00 0.04 0.00 1.19 -1.99 -1.17 -3.32 116.97 111.71 3hmj h TYR 1733Ca -0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3hmj h TYR 1733Cb 0.43 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 3hmj h TYR 1733CO 0.00 1.03 -0.11 1.03 -0.00 0.00 0.00 178.16 180.10 3hmj h SER 1734N 0.01 0.00 -0.26 3.88 0.87 -0.02 -3.16 113.55 114.86 3hmj h SER 1734Ca -0.06 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3hmj h SER 1734Cb 1.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 3hmj h SER 1734CO 0.13 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.44 3hmj n ALA 1735N -1.93 2.46 -1.89 6.23 0.00 -0.43 -4.86 120.51 120.09 3hmj n ALA 1735Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 3hmj n ALA 1735Cb 0.48 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3hmj n ALA 1735CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hmj s MET 1736N -1.67 3.12 0.00 0.00 -1.94 -1.19 -4.97 119.30 112.64 3hmj s MET 1736Ca 0.35 1.46 0.05 0.00 -1.71 0.00 0.00 55.69 55.85 3hmj s MET 1736Cb 0.21 -4.28 -0.03 0.00 2.01 0.00 0.00 34.83 32.74 3hmj s MET 1736CO 0.30 -2.11 -0.13 0.42 -0.01 0.00 0.00 175.02 173.49 3hmj s ILE 1737N 7.83 3.18 -0.35 2.53 1.01 -1.26 0.14 121.20 134.29 3hmj s ILE 1737Ca 0.84 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3hmj s ILE 1737Cb -0.23 -2.33 0.10 0.00 0.01 0.00 0.00 42.46 40.01 3hmj s ILE 1737CO 0.32 0.43 0.07 0.12 0.00 0.00 0.00 174.94 175.87 3hmj s PHE 1738N -0.90 3.52 0.40 3.97 5.36 -0.40 -4.82 117.98 125.11 3hmj s PHE 1738Ca 0.15 -2.88 -0.12 0.00 -0.96 0.00 0.00 56.93 53.11 3hmj s PHE 1738Cb -0.11 -2.79 -0.07 0.00 -0.34 0.00 0.00 43.02 39.71 3hmj s PHE 1738CO 0.05 -0.93 0.79 -1.21 -1.46 0.00 0.00 175.22 172.46 3hmj s GLU 1739N 0.91 3.84 -0.41 10.12 2.02 -1.26 -2.74 118.70 131.18 3hmj s GLU 1739Ca 0.11 0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.71 3hmj s GLU 1739Cb -0.19 -2.37 0.17 0.00 0.10 0.00 0.00 34.13 31.84 3hmj s GLU 1739CO -0.09 -0.03 0.46 0.99 0.02 0.00 0.00 175.26 176.60 3hmj s THR 1740N -2.33 -0.40 -0.45 3.63 2.01 -1.06 -4.35 115.64 112.69 3hmj s THR 1740Ca 0.53 -1.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 3hmj s THR 1740Cb -0.10 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 3hmj s THR 1740CO 0.29 -0.54 1.87 -0.63 -0.69 0.00 0.00 174.62 174.91 3hmj s ILE 1741N 1.13 3.40 -0.49 1.82 1.01 -1.04 -1.49 121.20 125.54 3hmj s ILE 1741Ca 0.22 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.24 3hmj s ILE 1741Cb -0.08 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.80 3hmj s ILE 1741CO -0.06 -0.58 0.23 -0.69 0.00 0.00 0.00 174.94 173.84 3hmj s VAL 1742N 8.13 2.72 -0.74 2.92 1.01 0.14 -4.72 120.40 129.87 3hmj s VAL 1742Ca 0.76 -2.97 -0.05 0.00 0.00 0.00 0.00 61.98 59.73 3hmj s VAL 1742Cb -0.18 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3hmj s VAL 1742CO 0.28 -0.76 0.65 0.47 0.00 0.00 0.00 175.10 175.74 3hmj n ASP 1743N 3.52 -4.24 0.00 3.32 8.00 -1.26 -3.07 116.55 122.82 3hmj n ASP 1743Ca 0.05 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3hmj n ASP 1743Cb 0.36 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 3hmj n ASP 1743CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hmj n GLY 1744N -1.32 2.63 3.76 0.44 0.00 -1.26 -5.04 105.19 104.40 3hmj n GLY 1744Ca -0.01 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3hmj n GLY 1744CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hmj s LYS 1745N 0.00 4.42 -0.76 1.61 2.20 -1.17 -5.01 119.74 121.03 3hmj s LYS 1745Ca 0.00 2.11 -0.07 0.00 -0.36 0.00 0.00 55.97 57.64 3hmj s LYS 1745Cb 0.00 -3.11 0.20 0.00 -1.51 0.00 0.00 37.83 33.41 3hmj s LYS 1745CO 0.00 -0.11 0.64 -1.17 -0.36 0.00 0.00 175.35 174.35 3hmj s LEU 1746N -1.52 5.90 -0.93 5.43 2.96 -1.26 0.28 118.68 129.54 3hmj s LEU 1746Ca 0.49 -2.94 -0.24 0.00 -0.22 0.00 0.00 54.13 51.21 3hmj s LEU 1746Cb -0.38 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3hmj s LEU 1746CO 0.49 -0.42 1.79 -0.54 -1.32 0.00 0.00 176.35 176.35 3hmj s LYS 1747N -0.20 2.86 -0.09 1.98 1.02 -0.56 -4.75 119.74 120.00 3hmj s LYS 1747Ca 0.19 -0.51 -0.09 0.00 0.02 0.00 0.00 55.97 55.58 3hmj s LYS 1747Cb -0.14 -5.13 -0.04 0.00 -0.52 0.00 0.00 37.83 31.99 3hmj s LYS 1747CO -0.07 -3.01 0.21 0.95 -0.92 0.00 0.00 175.35 172.52 3hmj s THR 1748N 8.53 5.38 0.11 2.17 -4.23 -1.26 -2.55 115.64 123.78 3hmj s THR 1748Ca 0.63 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 61.56 3hmj s THR 1748Cb -0.05 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 3hmj s THR 1748CO -0.03 0.60 -0.11 -1.83 -0.54 0.00 0.00 174.62 172.71 3hmj s GLU 1749N -0.98 0.90 0.17 3.99 -1.05 -1.11 -4.97 118.70 115.65 3hmj s GLU 1749Ca 0.17 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 3hmj s GLU 1749Cb -0.13 -0.63 -0.08 0.00 -0.44 0.00 0.00 34.13 32.85 3hmj s GLU 1749CO 0.06 0.10 1.28 0.15 0.95 0.00 0.00 175.26 177.80 3hmj s LYS 1750N -2.81 4.41 0.07 -4.83 1.02 -1.26 -1.28 119.74 115.06 3hmj s LYS 1750Ca 0.07 1.98 -0.20 0.00 0.02 0.00 0.00 55.97 57.84 3hmj s LYS 1750Cb -0.03 -3.23 -0.11 0.00 -0.52 0.00 0.00 37.83 33.95 3hmj s LYS 1750CO 0.01 -0.23 1.47 0.82 -0.92 0.00 0.00 175.35 176.50 3hmj h ILE 1751N 3.88 1.28 -3.07 2.17 2.04 -0.62 -3.35 117.51 119.84 3hmj h ILE 1751Ca -0.44 -0.99 -0.73 0.00 1.00 0.00 0.00 64.86 63.70 3hmj h ILE 1751Cb 1.21 1.52 -0.21 0.00 -0.74 0.00 0.00 36.82 38.60 3hmj h ILE 1751CO 0.78 0.30 0.43 -0.36 0.00 0.00 0.00 178.15 179.30 3hmj s PHE 1752N -4.82 3.38 0.15 1.37 0.40 -1.26 -4.90 117.98 112.31 3hmj s PHE 1752Ca -0.14 -1.59 -0.19 0.00 -0.60 0.00 0.00 56.93 54.41 3hmj s PHE 1752Cb 0.07 -4.05 0.05 0.00 0.51 0.00 0.00 43.02 39.59 3hmj s PHE 1752CO 0.74 -1.26 1.67 0.87 0.70 0.00 0.00 175.22 177.95 3hmj h LYS 1753N 8.43 -0.04 0.14 0.44 1.79 -1.95 -3.26 116.57 122.12 3hmj h LYS 1753Ca 0.08 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.26 3hmj h LYS 1753Cb 1.04 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.72 3hmj h LYS 1753CO 0.96 -0.03 -1.26 0.93 -1.08 0.00 0.00 179.45 178.96 3hmj h GLU 1754N -0.04 0.47 -6.05 3.15 3.07 -1.95 -3.44 114.58 109.79 3hmj h GLU 1754Ca 0.16 -0.69 -0.66 0.00 -0.50 0.00 0.00 59.36 57.66 3hmj h GLU 1754Cb 0.28 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3hmj h GLU 1754CO -0.35 1.31 1.32 -0.89 -1.40 0.00 0.00 179.01 179.00 3hmj n ILE 1755N -3.69 0.29 -3.96 3.13 -0.00 -1.23 -4.80 119.36 109.11 3hmj n ILE 1755Ca -0.12 -0.23 -0.07 0.00 -0.00 0.00 0.00 62.75 62.33 3hmj n ILE 1755Cb 1.01 -1.75 -0.02 0.00 -0.00 0.00 0.00 39.64 38.88 3hmj n ILE 1755CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 3hmj n ASN 1756N 9.07 -0.38 0.00 4.38 6.94 -1.26 -4.81 115.26 129.19 3hmj n ASN 1756Ca 0.35 -1.79 0.01 0.00 -0.02 0.00 0.00 54.58 53.13 3hmj n ASN 1756Cb 0.25 0.79 0.02 0.00 -2.36 0.00 0.00 39.78 38.49 3hmj n ASN 1756CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3hmj n GLU 1757N -0.23 0.00 0.00 -3.83 1.02 -1.26 -1.30 120.64 115.04 3hmj n GLU 1757Ca 0.02 0.47 0.01 0.00 -0.02 0.00 0.00 57.16 57.64 3hmj n GLU 1757Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3hmj n GLU 1757CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hmj n HIS 1758N -1.49 0.00 -2.26 -0.32 8.25 -1.26 -5.02 115.22 113.12 3hmj n HIS 1758Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3hmj n HIS 1758Cb 0.01 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 3hmj n HIS 1758CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hmj s SER 1759N -0.41 6.95 -0.01 0.41 0.01 -0.42 -4.93 113.70 115.30 3hmj s SER 1759Ca 0.01 2.42 0.21 0.00 1.31 0.00 0.00 55.95 59.91 3hmj s SER 1759Cb 0.01 -2.62 -0.27 0.00 0.21 0.00 0.00 66.02 63.35 3hmj s SER 1759CO 0.03 -0.45 0.68 0.35 0.41 0.00 0.00 173.24 174.26 3hmj n THR 1760N 1.96 0.00 -3.56 1.44 -2.24 -1.26 -4.86 114.28 105.76 3hmj n THR 1760Ca 0.03 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.52 3hmj n THR 1760Cb 0.43 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3hmj n THR 1760CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hmj s SER 1761N -3.65 -0.24 0.31 3.42 1.04 -1.26 -1.20 113.70 112.13 3hmj s SER 1761Ca 0.00 -0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.48 3hmj s SER 1761Cb 0.15 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 3hmj s SER 1761CO 0.86 -0.45 -0.07 -0.47 0.98 0.00 0.00 173.24 174.09 3hmj s TYR 1762N -2.78 2.18 -0.11 5.02 5.04 -1.04 -4.95 117.35 120.72 3hmj s TYR 1762Ca 0.08 -0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 54.06 3hmj s TYR 1762Cb -0.01 -1.26 0.06 0.00 0.35 0.00 0.00 41.96 41.10 3hmj s TYR 1762CO -0.06 0.42 0.18 0.99 -1.34 0.00 0.00 175.55 175.74 3hmj s THR 1763N -2.82 -0.29 0.29 4.34 2.01 -1.26 -0.99 115.64 116.92 3hmj s THR 1763Ca 0.31 0.28 -0.28 0.00 0.31 0.00 0.00 61.69 62.31 3hmj s THR 1763Cb 0.03 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 72.08 3hmj s THR 1763CO 0.14 0.09 0.98 -0.36 -0.69 0.00 0.00 174.62 174.78 3hmj s PHE 1764N 2.31 3.74 0.07 4.92 0.40 -0.48 -4.95 117.98 123.99 3hmj s PHE 1764Ca 0.03 1.81 0.04 0.00 -0.60 0.00 0.00 56.93 58.21 3hmj s PHE 1764Cb -0.13 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 3hmj s PHE 1764CO -0.07 0.09 -0.12 1.03 0.70 0.00 0.00 175.22 176.85 3hmj s ARG 1765N -1.68 0.77 -0.30 0.44 0.52 -1.26 -2.13 118.95 115.31 3hmj s ARG 1765Ca 0.47 -0.95 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 3hmj s ARG 1765Cb -0.24 -0.69 0.16 0.00 0.52 0.00 0.00 34.95 34.69 3hmj s ARG 1765CO 0.30 0.15 0.93 0.45 0.02 0.00 0.00 175.30 177.14 3hmj s SER 1766N -1.81 -0.68 0.25 0.23 0.15 -1.13 -4.93 113.70 105.78 3hmj s SER 1766Ca -0.02 0.94 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 3hmj s SER 1766Cb -0.09 1.75 0.26 0.00 -1.71 0.00 0.00 66.02 66.22 3hmj s SER 1766CO 0.02 -0.13 1.91 -0.33 1.20 0.00 0.00 173.24 175.91 3hmj h GLU 1767N 7.50 1.30 0.19 5.44 5.08 -1.98 -3.26 114.58 128.85 3hmj h GLU 1767Ca -0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3hmj h GLU 1767Cb 1.12 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hmj h GLU 1767CO 0.09 0.88 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.67 3hmj h LYS 1768N 1.33 -0.24 0.00 2.33 3.64 -1.96 -3.48 116.57 118.18 3hmj h LYS 1768Ca 0.35 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3hmj h LYS 1768Cb -0.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3hmj h LYS 1768CO -0.07 -0.16 0.00 0.41 -2.27 0.00 0.00 179.45 177.36 3hmj n GLY 1769N 0.98 2.64 0.12 5.01 0.00 -1.23 -4.69 105.19 108.01 3hmj n GLY 1769Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3hmj n GLY 1769CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hmj n LEU 1770N 0.00 0.36 0.22 0.99 4.32 -0.43 -1.31 117.00 121.15 3hmj n LEU 1770Ca 0.00 0.63 0.15 0.00 -0.02 0.00 0.00 56.01 56.77 3hmj n LEU 1770Cb 0.00 -0.65 0.69 0.00 -1.62 0.00 0.00 43.42 41.84 3hmj n LEU 1770CO 0.00 -0.75 0.95 0.25 -1.22 0.00 0.00 177.39 176.63 3hmj h LEU 1771N 0.00 0.00 -3.29 2.23 5.85 -1.83 -2.14 115.31 116.13 3hmj h LEU 1771Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hmj h LEU 1771Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3hmj h LEU 1771CO 0.00 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.56 3hmj n SER 1772N -2.68 3.67 -4.48 1.25 3.41 -0.43 -3.73 113.62 110.63 3hmj n SER 1772Ca 0.00 -3.15 -0.37 0.00 -0.26 0.00 0.00 58.87 55.10 3hmj n SER 1772Cb 0.21 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 3hmj n SER 1772CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hmj s ALA 1773N -2.91 3.25 0.45 7.33 0.00 -0.80 -4.95 121.76 124.12 3hmj s ALA 1773Ca 0.43 -1.10 0.23 0.00 0.00 0.00 0.00 51.96 51.52 3hmj s ALA 1773Cb 0.35 -2.15 1.22 0.00 0.00 0.00 0.00 23.12 22.55 3hmj s ALA 1773CO 0.08 -0.46 1.81 1.79 0.00 0.00 0.00 175.76 178.98 3hmj h THR 1774N 5.47 0.55 -0.03 0.00 1.35 -1.89 0.23 112.91 118.59 3hmj h THR 1774Ca -0.38 -0.10 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 3hmj h THR 1774Cb 1.18 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3hmj h THR 1774CO 0.58 0.05 0.06 1.56 -0.25 0.00 0.00 175.52 177.52 3hmj h GLN 1775N 0.28 0.00 0.00 4.72 7.50 -1.88 -1.48 115.11 124.26 3hmj h GLN 1775Ca 0.53 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 59.42 3hmj h GLN 1775Cb 1.56 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 29.05 3hmj h GLN 1775CO -0.18 0.00 -1.98 1.19 -1.50 0.00 0.00 178.83 176.36 3hmj n PHE 1776N -3.41 0.00 -0.27 2.96 3.72 0.70 -4.47 117.46 116.69 3hmj n PHE 1776Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 3hmj n PHE 1776Cb 0.14 -0.66 0.21 0.00 -0.94 0.00 0.00 39.48 38.23 3hmj n PHE 1776CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3hmj h THR 1777N -0.12 0.39 -0.07 4.37 2.02 -0.98 -1.49 112.91 117.02 3hmj h THR 1777Ca -0.40 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3hmj h THR 1777Cb 1.56 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3hmj h THR 1777CO -0.10 0.03 -0.00 1.56 0.37 0.00 0.00 175.52 177.38 3hmj h GLN 1778N 0.19 0.12 -0.08 6.66 4.20 -1.53 -0.56 115.11 124.11 3hmj h GLN 1778Ca 0.46 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.15 3hmj h GLN 1778Cb 0.84 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 3hmj h GLN 1778CO -0.61 0.41 -0.08 -1.35 -0.67 0.00 0.00 178.83 176.53 3hmj h PRO 1779N -0.18 -0.09 -0.51 1.46 0.11 -1.72 -0.01 132.00 131.06 3hmj h PRO 1779Ca 0.02 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.23 3hmj h PRO 1779Cb 0.36 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.39 3hmj h PRO 1779CO 0.00 -0.06 -0.33 0.00 -0.21 0.00 0.00 178.00 177.41 3hmj h ALA 1780N 0.97 -0.10 0.43 -0.75 0.00 -1.14 0.38 119.26 119.05 3hmj h ALA 1780Ca 0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hmj h ALA 1780Cb 0.18 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hmj h ALA 1780CO -0.14 -0.69 -0.25 -0.07 0.00 0.00 0.00 179.25 178.10 3hmj h LEU 1781N -0.20 -0.61 -0.76 0.00 3.38 -0.90 -0.71 115.31 115.52 3hmj h LEU 1781Ca 0.21 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3hmj h LEU 1781Cb 0.54 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3hmj h LEU 1781CO -0.62 -0.40 0.42 0.74 0.09 0.00 0.00 178.44 178.67 3hmj h THR 1782N -0.64 0.91 0.75 0.22 2.02 -0.27 -1.86 112.91 114.05 3hmj h THR 1782Ca -0.05 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3hmj h THR 1782Cb 0.52 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3hmj h THR 1782CO 0.06 0.13 -0.36 -0.07 0.37 0.00 0.00 175.52 175.65 3hmj h LEU 1783N 0.72 -0.86 -0.83 2.58 3.38 -0.11 0.47 115.31 120.67 3hmj h LEU 1783Ca 0.36 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.55 3hmj h LEU 1783Cb 0.32 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 3hmj h LEU 1783CO -0.24 -0.57 0.17 0.00 0.09 0.00 0.00 178.44 177.89 3hmj h MET 1784N -1.08 0.20 -0.06 1.13 -0.00 -0.82 0.58 114.93 114.88 3hmj h MET 1784Ca -0.10 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.53 3hmj h MET 1784Cb 0.79 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 3hmj h MET 1784CO 0.17 0.13 -0.16 0.93 -0.00 0.00 0.00 176.91 177.98 3hmj h GLU 1785N 0.20 0.22 -0.68 -0.10 5.08 -1.22 -1.96 114.58 116.13 3hmj h GLU 1785Ca 0.49 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3hmj h GLU 1785Cb 0.94 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3hmj h GLU 1785CO -0.63 0.76 0.33 -0.22 -1.00 0.00 0.00 179.01 178.26 3hmj h LYS 1786N -0.29 0.95 0.06 2.33 1.63 -0.37 -0.17 116.57 120.71 3hmj h LYS 1786Ca -0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3hmj h LYS 1786Cb 0.77 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3hmj h LYS 1786CO 0.04 0.73 -0.03 0.00 -3.45 0.00 0.00 179.45 176.74 3hmj h ALA 1787N 1.41 -0.08 -0.91 5.00 0.00 -0.91 -2.34 119.26 121.44 3hmj h ALA 1787Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hmj h ALA 1787Cb 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3hmj h ALA 1787CO -0.03 -0.44 0.60 0.00 0.00 0.00 0.00 179.25 179.38 3hmj h ALA 1788N 0.65 1.35 -0.19 0.00 0.00 -0.89 -1.84 119.26 118.33 3hmj h ALA 1788Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3hmj h ALA 1788Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hmj h ALA 1788CO 0.01 0.60 -0.41 0.35 0.00 0.00 0.00 179.25 179.80 3hmj h PHE 1789N 1.24 0.54 0.00 0.00 3.57 -0.99 -2.30 116.94 119.00 3hmj h PHE 1789Ca 0.33 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hmj h PHE 1789Cb -0.14 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3hmj h PHE 1789CO -0.00 0.80 -0.25 0.93 -2.23 0.00 0.00 178.31 177.56 3hmj h GLU 1790N 0.38 0.00 -0.12 1.11 5.08 -0.79 0.11 114.58 120.35 3hmj h GLU 1790Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3hmj h GLU 1790Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3hmj h GLU 1790CO 0.07 0.25 -0.20 0.22 -1.00 0.00 0.00 179.01 178.35 3hmj h ASP 1791N 0.00 0.39 -0.68 1.42 3.58 -1.13 -1.76 116.42 118.24 3hmj h ASP 1791Ca -0.00 -0.54 0.07 0.00 0.42 0.00 0.00 57.03 56.98 3hmj h ASP 1791Cb 0.87 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 3hmj h ASP 1791CO 0.03 0.85 0.36 -0.07 -2.88 0.00 0.00 179.24 177.53 3hmj h LEU 1792N -0.06 0.50 -0.95 2.28 3.38 -1.03 -1.37 115.31 118.05 3hmj h LEU 1792Ca 0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hmj h LEU 1792Cb 0.78 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3hmj h LEU 1792CO 0.05 0.31 0.42 0.50 0.09 0.00 0.00 178.44 179.80 3hmj h LYS 1793N 0.64 1.17 -0.08 1.13 3.64 -0.81 -1.81 116.57 120.44 3hmj h LYS 1793Ca 0.32 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3hmj h LYS 1793Cb 0.27 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hmj h LYS 1793CO -0.22 0.88 -0.40 0.66 -2.27 0.00 0.00 179.45 178.09 3hmj h SER 1794N 1.17 0.17 -0.02 4.20 4.64 -0.54 -2.22 113.55 120.95 3hmj h SER 1794Ca 0.29 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hmj h SER 1794Cb 0.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hmj h SER 1794CO -0.04 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 176.77 3hmj n LYS 1795N -4.04 1.19 -2.74 4.77 4.76 -0.59 -4.90 118.16 116.62 3hmj n LYS 1795Ca -0.02 -0.28 -0.07 0.00 -2.87 0.00 0.00 58.31 55.07 3hmj n LYS 1795Cb 0.46 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 3hmj n LYS 1795CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hmj n GLY 1796N 0.99 0.48 0.56 0.72 0.00 -0.83 -4.74 105.19 102.37 3hmj n GLY 1796Ca 0.20 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.85 3hmj n GLY 1796CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hmj n LEU 1797N -1.69 2.19 -4.53 0.99 4.77 -0.71 -3.43 117.00 114.59 3hmj n LEU 1797Ca -0.01 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.49 3hmj n LEU 1797Cb 0.52 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3hmj n LEU 1797CO 0.18 0.42 0.06 -0.63 -1.33 0.00 0.00 177.39 176.08 3hmj s ILE 1798N -1.11 5.14 0.53 -0.08 -1.09 -1.26 -4.80 121.20 118.52 3hmj s ILE 1798Ca 0.17 -0.07 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 3hmj s ILE 1798Cb 0.11 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3hmj s ILE 1798CO 0.17 -0.20 1.29 -2.65 -1.23 0.00 0.00 174.94 172.32 3hmj n PRO 1799N 5.46 1.63 -0.06 2.79 -0.02 -1.26 -2.76 135.00 140.77 3hmj n PRO 1799Ca -0.08 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3hmj n PRO 1799Cb 0.49 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3hmj n PRO 1799CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmj h ALA 1800N 1.43 0.52 -0.59 3.55 0.00 -1.86 -3.23 119.26 119.07 3hmj h ALA 1800Ca -0.50 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3hmj h ALA 1800Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hmj h ALA 1800CO 0.57 0.68 0.00 -0.25 0.00 0.00 0.00 179.25 180.25 3hmj n ASP 1801N -3.99 5.35 -4.76 0.00 8.00 -1.26 -4.97 116.55 114.91 3hmj n ASP 1801Ca -0.04 -2.76 -0.41 0.00 0.71 0.00 0.00 54.79 52.29 3hmj n ASP 1801Cb 0.63 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3hmj n ASP 1801CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hmj s ALA 1802N -2.44 3.65 0.08 2.24 0.00 -1.22 -4.94 121.76 119.13 3hmj s ALA 1802Ca 0.53 1.54 -0.04 0.00 0.00 0.00 0.00 51.96 53.99 3hmj s ALA 1802Cb 0.38 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3hmj s ALA 1802CO 0.19 -0.98 0.30 0.95 0.00 0.00 0.00 175.76 176.22 3hmj s THR 1803N -0.57 5.27 0.04 0.00 -4.23 -1.10 -4.87 115.64 110.17 3hmj s THR 1803Ca 0.57 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3hmj s THR 1803Cb -0.46 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 3hmj s THR 1803CO 0.55 0.15 -0.05 0.72 -0.54 0.00 0.00 174.62 175.45 3hmj s PHE 1804N -1.52 0.46 0.05 3.99 -0.12 0.33 -0.64 117.98 120.53 3hmj s PHE 1804Ca 0.36 -0.63 -0.20 0.00 -0.05 0.00 0.00 56.93 56.41 3hmj s PHE 1804Cb -0.13 -0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.00 3hmj s PHE 1804CO 0.23 -0.18 0.47 0.00 -0.05 0.00 0.00 175.22 175.69 3hmj s ALA 1805N -1.95 -1.18 0.12 1.99 0.00 -0.48 -1.53 121.76 118.73 3hmj s ALA 1805Ca -0.09 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.41 3hmj s ALA 1805Cb -0.06 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3hmj s ALA 1805CO -0.02 -0.48 -0.17 0.20 0.00 0.00 0.00 175.76 175.29 3hmj s GLY 1806N -1.98 1.18 -0.50 0.00 0.00 -1.26 -1.19 107.32 103.58 3hmj s GLY 1806Ca -0.05 -1.31 -0.14 0.00 0.00 0.00 0.00 44.72 43.22 3hmj s GLY 1806CO -0.02 -1.34 0.42 -1.58 0.00 0.00 0.00 173.10 170.58 3hmj s HIS 1807N -1.78 3.28 0.00 1.90 2.46 -0.81 -4.19 115.29 116.15 3hmj s HIS 1807Ca 0.09 -1.25 0.00 0.00 0.47 0.00 0.00 55.06 54.37 3hmj s HIS 1807Cb -0.07 -3.47 0.00 0.00 -0.13 0.00 0.00 32.58 28.91 3hmj s HIS 1807CO 0.04 -0.92 0.00 0.45 -2.47 0.00 0.00 174.74 171.84 3hmj n SER 1808N 5.17 0.00 -0.31 9.88 2.88 -1.26 -2.78 113.62 127.20 3hmj n SER 1808Ca -0.12 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.37 3hmj n SER 1808Cb 0.42 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.95 3hmj n SER 1808CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hmj h LEU 1809N 0.00 1.02 -0.69 2.46 5.85 -1.90 -2.83 115.31 119.22 3hmj h LEU 1809Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hmj h LEU 1809Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3hmj h LEU 1809CO 0.00 0.80 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 3hmj n GLY 1810N -1.19 -0.88 0.25 3.75 0.00 -1.12 -1.87 105.19 104.14 3hmj n GLY 1810Ca 0.09 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3hmj n GLY 1810CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hmj h GLU 1811N 0.00 0.00 0.05 1.61 4.81 -1.66 0.23 114.58 119.61 3hmj h GLU 1811Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3hmj h GLU 1811Cb 0.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hmj h GLU 1811CO 0.00 0.11 -0.31 1.88 -0.73 0.00 0.00 179.01 179.97 3hmj h TYR 1812N 0.00 0.22 -0.99 0.92 -1.99 -1.58 -2.22 116.97 111.33 3hmj h TYR 1812Ca -0.00 -0.15 0.14 0.00 2.00 0.00 0.00 58.73 60.71 3hmj h TYR 1812Cb 0.64 -0.01 -0.09 0.00 2.00 0.00 0.00 36.73 39.27 3hmj h TYR 1812CO 0.00 1.10 0.62 0.00 -0.00 0.00 0.00 178.16 179.87 3hmj h ALA 1813N 0.06 1.53 -0.40 3.88 0.00 -1.61 -0.04 119.26 122.70 3hmj h ALA 1813Ca -0.05 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3hmj h ALA 1813Cb 1.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hmj h ALA 1813CO 0.06 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 3hmj h ALA 1814N 1.56 0.55 -0.39 0.00 0.00 -0.59 0.35 119.26 120.75 3hmj h ALA 1814Ca 0.51 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3hmj h ALA 1814Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hmj h ALA 1814CO -0.30 0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 179.07 3hmj h LEU 1815N 0.58 0.78 -0.04 0.00 3.38 -0.99 -2.27 115.31 116.75 3hmj h LEU 1815Ca 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hmj h LEU 1815Cb 0.62 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hmj h LEU 1815CO 0.04 0.98 -0.02 0.00 0.09 0.00 0.00 178.44 179.53 3hmj h ALA 1816N 1.07 0.05 0.01 1.53 0.00 -0.88 -2.21 119.26 118.84 3hmj h ALA 1816Ca 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hmj h ALA 1816Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hmj h ALA 1816CO 0.06 -0.20 -0.00 0.77 0.00 0.00 0.00 179.25 179.87 3hmj h SER 1817N -0.33 -0.01 0.60 0.00 0.02 -0.91 -1.79 113.55 111.13 3hmj h SER 1817Ca 0.01 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 3hmj h SER 1817Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3hmj h SER 1817CO 0.01 0.04 -1.53 0.18 -1.14 0.00 0.00 176.83 174.38 3hmj n LEU 1818N -5.07 0.78 -0.05 5.07 4.32 -0.86 -4.43 117.00 116.77 3hmj n LEU 1818Ca -0.07 0.35 0.01 0.00 -0.02 0.00 0.00 56.01 56.27 3hmj n LEU 1818Cb 0.06 0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 3hmj n LEU 1818CO 0.33 0.19 0.20 0.00 -1.22 0.00 0.00 177.39 176.90 3hmj n ALA 1819N -2.43 2.41 -4.15 -1.18 0.00 -0.84 -5.00 120.51 109.32 3hmj n ALA 1819Ca -0.12 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 3hmj n ALA 1819Cb 0.88 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 3hmj n ALA 1819CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hmj n ASP 1820N -0.21 -1.27 0.20 0.00 8.00 -0.67 -4.78 116.55 117.82 3hmj n ASP 1820Ca 0.01 -1.23 0.14 0.00 0.71 0.00 0.00 54.79 54.41 3hmj n ASP 1820Cb 0.04 -1.93 0.41 0.00 -0.02 0.00 0.00 41.12 39.62 3hmj n ASP 1820CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hmj h VAL 1821N -2.09 0.00 -3.31 2.53 2.07 -1.75 -3.46 116.25 110.25 3hmj h VAL 1821Ca -0.68 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 3hmj h VAL 1821Cb 1.40 1.60 -0.15 0.00 -1.52 0.00 0.00 31.29 32.62 3hmj h VAL 1821CO 0.62 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 178.06 3hmj s MET 1822N -3.32 0.94 0.97 1.57 0.00 -1.26 -4.58 119.30 113.61 3hmj s MET 1822Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 55.69 55.06 3hmj s MET 1822Cb 0.08 0.41 0.17 0.00 0.00 0.00 0.00 34.83 35.50 3hmj s MET 1822CO 0.58 -0.33 1.11 0.45 0.00 0.00 0.00 175.02 176.82 3hmj n SER 1823N 0.19 -0.12 -0.21 -1.18 2.88 -1.26 -4.68 113.62 109.25 3hmj n SER 1823Ca -0.17 0.31 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 3hmj n SER 1823Cb 0.61 -1.43 0.26 0.00 -0.75 0.00 0.00 64.21 62.91 3hmj n SER 1823CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hmj h ILE 1824N -2.05 1.17 -0.13 2.46 1.08 -1.97 -1.90 117.51 116.16 3hmj h ILE 1824Ca -0.47 -0.33 -0.18 0.00 -0.39 0.00 0.00 64.86 63.49 3hmj h ILE 1824Cb 1.28 0.11 0.01 0.00 -3.07 0.00 0.00 36.82 35.15 3hmj h ILE 1824CO 0.42 0.18 -0.60 1.05 -0.69 0.00 0.00 178.15 178.51 3hmj h GLU 1825N 0.98 0.64 -0.66 2.37 9.09 -1.91 -2.89 114.58 122.21 3hmj h GLU 1825Ca 0.28 -0.51 0.07 0.00 0.05 0.00 0.00 59.36 59.24 3hmj h GLU 1825Cb -0.07 0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.09 3hmj h GLU 1825CO -0.07 1.13 0.44 0.77 0.05 0.00 0.00 179.01 181.33 3hmj h SER 1826N 0.30 0.55 0.65 3.06 0.02 -1.85 -1.37 113.55 114.92 3hmj h SER 1826Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3hmj h SER 1826Cb 1.24 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.67 3hmj h SER 1826CO 0.13 0.35 -0.31 0.25 -1.14 0.00 0.00 176.83 176.11 3hmj h LEU 1827N 0.63 -0.73 -2.13 5.07 5.85 -1.29 -0.80 115.31 121.90 3hmj h LEU 1827Ca 0.29 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.11 3hmj h LEU 1827Cb 0.33 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3hmj h LEU 1827CO -0.09 -0.42 0.23 -0.37 -0.34 0.00 0.00 178.44 177.45 3hmj h VAL 1828N -1.08 0.61 0.30 1.05 -1.51 -1.30 0.41 116.25 114.73 3hmj h VAL 1828Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 3hmj h VAL 1828Cb 0.66 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3hmj h VAL 1828CO 0.15 0.00 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.01 3hmj h GLU 1829N 0.00 -0.39 -0.47 5.19 4.39 -1.07 -1.43 114.58 120.80 3hmj h GLU 1829Ca 0.12 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.93 3hmj h GLU 1829Cb 0.58 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 3hmj h GLU 1829CO -0.00 -0.26 -0.36 0.28 -1.16 0.00 0.00 179.01 177.51 3hmj h VAL 1830N -0.70 0.18 -0.67 3.13 2.07 -0.50 -1.09 116.25 118.66 3hmj h VAL 1830Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3hmj h VAL 1830Cb 0.31 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3hmj h VAL 1830CO 0.07 0.00 0.44 0.58 0.02 0.00 0.00 177.57 178.68 3hmj h VAL 1831N -0.24 1.06 -0.24 2.57 2.07 -1.03 0.37 116.25 120.82 3hmj h VAL 1831Ca 0.19 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3hmj h VAL 1831Cb 0.55 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3hmj h VAL 1831CO -0.60 0.14 -0.46 0.15 0.02 0.00 0.00 177.57 176.82 3hmj h PHE 1832N 0.75 0.74 0.07 1.57 3.57 -0.09 -2.75 116.94 120.79 3hmj h PHE 1832Ca 0.28 -0.23 -0.26 0.00 3.53 0.00 0.00 57.97 61.29 3hmj h PHE 1832Cb 0.16 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.76 3hmj h PHE 1832CO -0.00 0.96 -1.11 -0.92 -2.23 0.00 0.00 178.31 175.01 3hmj h TYR 1833N 0.49 0.70 -0.93 0.41 5.03 -0.71 -2.58 116.97 119.39 3hmj h TYR 1833Ca 0.03 -0.43 0.17 0.00 2.58 0.00 0.00 58.73 61.08 3hmj h TYR 1833Cb 0.99 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 39.13 3hmj h TYR 1833CO 0.04 1.28 0.59 -0.09 -1.32 0.00 0.00 178.16 178.67 3hmj h ARG 1834N 0.21 0.62 0.01 1.82 2.43 -0.86 0.44 114.38 119.05 3hmj h ARG 1834Ca -0.13 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.74 3hmj h ARG 1834Cb 1.78 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 31.21 3hmj h ARG 1834CO 0.20 0.41 -1.06 0.78 -1.51 0.00 0.00 179.97 178.79 3hmj h GLY 1835N 0.64 0.75 1.24 2.80 0.00 -1.39 -2.31 103.07 104.80 3hmj h GLY 1835Ca 0.49 -1.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 3hmj h GLY 1835CO -0.24 1.18 0.08 -0.33 0.00 0.00 0.00 176.54 177.24 3hmj h MET 1836N 0.37 0.93 0.25 4.80 2.86 -0.87 -1.98 114.93 121.29 3hmj h MET 1836Ca -0.13 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3hmj h MET 1836Cb 1.71 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.26 3hmj h MET 1836CO 0.21 0.87 -0.13 1.15 1.06 0.00 0.00 176.91 180.07 3hmj h THR 1837N 0.88 0.73 -0.52 2.22 2.02 -0.18 -2.88 112.91 115.17 3hmj h THR 1837Ca 0.18 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.43 3hmj h THR 1837Cb 0.41 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3hmj h THR 1837CO 0.01 0.00 0.19 0.24 0.37 0.00 0.00 175.52 176.33 3hmj h MET 1838N -0.35 0.35 -0.28 6.66 2.86 -1.25 -2.26 114.93 120.66 3hmj h MET 1838Ca -0.03 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3hmj h MET 1838Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3hmj h MET 1838CO 0.05 0.23 0.29 1.96 1.06 0.00 0.00 176.91 180.50 3hmj h GLN 1839N 0.36 0.00 0.00 1.72 1.08 -1.21 -3.27 115.11 113.79 3hmj h GLN 1839Ca 0.25 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 3hmj h GLN 1839Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3hmj h GLN 1839CO -0.26 0.00 -1.68 0.28 -0.95 0.00 0.00 178.83 176.22 3hmj n VAL 1840N -3.81 0.13 1.54 -0.54 0.31 -0.88 -4.57 118.33 110.50 3hmj n VAL 1840Ca 0.04 -0.35 0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3hmj n VAL 1840Cb 0.44 0.06 0.23 0.00 -0.91 0.00 0.00 33.84 33.66 3hmj n VAL 1840CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hmj n ALA 1841N -2.06 2.32 -3.66 3.52 0.00 -1.06 -4.68 120.51 114.89 3hmj n ALA 1841Ca -0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 3hmj n ALA 1841Cb 0.44 -1.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.60 3hmj n ALA 1841CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hmj s VAL 1842N -2.00 0.58 0.10 0.00 1.01 -1.26 -5.04 120.40 113.78 3hmj s VAL 1842Ca 0.12 -0.11 -0.36 0.00 0.00 0.00 0.00 61.98 61.63 3hmj s VAL 1842Cb 0.05 -0.62 -0.17 0.00 0.00 0.00 0.00 36.38 35.64 3hmj s VAL 1842CO 0.09 0.25 1.16 -2.65 0.00 0.00 0.00 175.10 173.95 3hmj n PRO 1843N 4.31 0.77 -4.30 2.72 -0.02 -1.26 -4.98 135.00 132.24 3hmj n PRO 1843Ca -0.20 0.28 -0.19 0.00 -2.02 0.00 0.00 63.50 61.36 3hmj n PRO 1843Cb 0.51 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.09 3hmj n PRO 1843CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hmj s ARG 1844N -0.01 1.19 0.00 -0.52 1.81 -1.26 -4.26 118.95 115.90 3hmj s ARG 1844Ca 0.81 -1.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.42 3hmj s ARG 1844Cb -1.00 -1.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.44 3hmj s ARG 1844CO 0.52 0.19 0.00 -0.25 -0.68 0.00 0.00 175.30 175.08 3hmj n ASP 1845N 0.14 -0.28 0.09 0.23 9.92 -0.56 -4.75 116.55 121.33 3hmj n ASP 1845Ca -0.12 -0.86 -0.12 0.00 -0.53 0.00 0.00 54.79 53.16 3hmj n ASP 1845Cb 0.58 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 3hmj n ASP 1845CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3hmj h GLU 1846N 0.00 -0.24 -0.25 -1.24 3.07 -2.02 -2.71 114.58 111.19 3hmj h GLU 1846Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3hmj h GLU 1846Cb 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3hmj h GLU 1846CO 0.00 0.13 0.00 1.28 -1.40 0.00 0.00 179.01 179.02 3hmj n LEU 1847N -5.01 0.25 -2.82 1.33 4.32 -1.26 -4.82 117.00 108.99 3hmj n LEU 1847Ca -0.09 -0.13 -0.13 0.00 -0.02 0.00 0.00 56.01 55.65 3hmj n LEU 1847Cb 0.25 -0.13 0.07 0.00 -1.62 0.00 0.00 43.42 41.99 3hmj n LEU 1847CO 0.30 0.06 0.09 0.61 -1.22 0.00 0.00 177.39 177.23 3hmj n GLY 1848N 0.25 -0.16 3.94 -0.72 0.00 -1.02 -5.02 105.19 102.46 3hmj n GLY 1848Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3hmj n GLY 1848CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hmj s ARG 1849N -5.05 3.44 0.01 1.61 0.52 -1.26 -4.56 118.95 113.66 3hmj s ARG 1849Ca 0.01 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3hmj s ARG 1849Cb -0.01 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 3hmj s ARG 1849CO 0.55 0.07 -0.04 0.45 0.02 0.00 0.00 175.30 176.35 3hmj s SER 1850N -4.06 4.82 0.00 0.23 0.15 -1.26 -1.50 113.70 112.08 3hmj s SER 1850Ca 0.41 -0.10 0.30 0.00 0.70 0.00 0.00 55.95 57.26 3hmj s SER 1850Cb -0.10 -1.17 1.40 0.00 -1.71 0.00 0.00 66.02 64.44 3hmj s SER 1850CO 0.37 0.27 1.95 0.59 1.20 0.00 0.00 173.24 177.62 3hmj n ASN 1851N 1.43 0.62 -3.63 5.45 3.02 -1.26 -4.87 115.26 116.03 3hmj n ASN 1851Ca -0.15 -0.99 -0.23 0.00 -0.03 0.00 0.00 54.58 53.18 3hmj n ASN 1851Cb 0.53 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 3hmj n ASN 1851CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hmj n TYR 1852N -0.63 0.04 0.00 3.10 4.02 -1.26 -1.96 117.16 120.47 3hmj n TYR 1852Ca 0.19 -2.44 0.00 0.00 -0.01 0.00 0.00 57.90 55.64 3hmj n TYR 1852Cb 0.24 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3hmj n TYR 1852CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hmj n GLY 1853N -0.57 -0.81 3.19 2.72 0.00 -1.09 -4.57 105.19 104.05 3hmj n GLY 1853Ca -0.04 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 3hmj n GLY 1853CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hmj s MET 1854N -2.00 1.33 -0.07 1.61 -1.94 -1.26 -2.50 119.30 114.47 3hmj s MET 1854Ca 0.00 -0.75 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 3hmj s MET 1854Cb 0.00 -1.35 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 3hmj s MET 1854CO 0.00 0.36 -0.24 0.42 -0.01 0.00 0.00 175.02 175.55 3hmj s ILE 1855N -0.60 1.97 -0.35 2.53 1.01 0.57 -0.26 121.20 126.06 3hmj s ILE 1855Ca 0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3hmj s ILE 1855Cb -0.08 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3hmj s ILE 1855CO 0.00 0.55 0.22 0.00 0.00 0.00 0.00 174.94 175.71 3hmj s ALA 1856N 0.04 3.39 0.13 9.38 0.00 0.15 -0.42 121.76 134.43 3hmj s ALA 1856Ca -0.09 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.38 3hmj s ALA 1856Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3hmj s ALA 1856CO 0.05 -1.15 0.14 0.42 0.00 0.00 0.00 175.76 175.22 3hmj s ILE 1857N 1.65 4.63 -0.42 0.00 1.01 0.10 -1.34 121.20 126.82 3hmj s ILE 1857Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3hmj s ILE 1857Cb -0.18 -3.32 0.14 0.00 0.01 0.00 0.00 42.46 39.12 3hmj s ILE 1857CO 0.08 -0.02 0.26 0.21 0.00 0.00 0.00 174.94 175.47 3hmj s ASN 1858N -2.87 3.14 0.62 3.58 2.47 0.15 -0.90 114.94 121.12 3hmj s ASN 1858Ca 0.31 -2.63 0.26 0.00 0.42 0.00 0.00 52.86 51.22 3hmj s ASN 1858Cb -0.11 -0.76 1.23 0.00 -1.45 0.00 0.00 41.25 40.16 3hmj s ASN 1858CO 0.24 -0.25 1.67 -0.65 -3.72 0.00 0.00 177.10 174.38 3hmj h PRO 1859N 6.56 0.00 -0.72 0.43 0.11 -1.75 0.10 132.00 136.73 3hmj h PRO 1859Ca 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3hmj h PRO 1859Cb 0.93 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3hmj h PRO 1859CO 0.41 0.00 0.32 0.78 -0.21 0.00 0.00 178.00 179.30 3hmj h GLY 1860N 0.00 1.13 1.95 -0.55 0.00 -1.76 -3.20 103.07 100.64 3hmj h GLY 1860Ca 0.21 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 3hmj h GLY 1860CO -0.00 0.55 -0.68 3.21 0.00 0.00 0.00 176.54 179.63 3hmj h ARG 1861N 1.02 0.05 0.69 4.80 3.08 -1.09 -3.24 114.38 119.68 3hmj h ARG 1861Ca 0.24 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3hmj h ARG 1861Cb 0.16 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3hmj h ARG 1861CO -0.03 0.70 -0.33 -0.24 -1.07 0.00 0.00 179.97 179.01 3hmj h VAL 1862N 0.03 0.00 -2.52 2.04 3.04 -1.62 -3.46 116.25 113.76 3hmj h VAL 1862Ca -0.01 -0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.59 3hmj h VAL 1862Cb 1.20 0.00 -0.21 0.00 -2.01 0.00 0.00 31.29 30.27 3hmj h VAL 1862CO 0.09 0.00 -0.07 0.00 -1.01 0.00 0.00 177.57 176.58 3hmj s ALA 1863N -5.02 -1.26 0.60 3.17 0.00 -1.22 -4.54 121.76 113.49 3hmj s ALA 1863Ca -0.14 1.00 0.36 0.00 0.00 0.00 0.00 51.96 53.19 3hmj s ALA 1863Cb 0.01 -0.23 2.07 0.00 0.00 0.00 0.00 23.12 24.97 3hmj s ALA 1863CO 0.41 -0.29 2.29 0.00 0.00 0.00 0.00 175.76 178.17 3hmj h ALA 1864N 4.03 1.27 0.00 0.00 0.00 -1.85 -1.16 119.26 121.55 3hmj h ALA 1864Ca -0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 3hmj h ALA 1864Cb 1.16 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3hmj h ALA 1864CO 0.33 0.01 -0.84 1.03 0.00 0.00 0.00 179.25 179.78 3hmj h SER 1865N 0.00 0.00 -2.11 0.00 0.87 -1.91 -3.45 113.55 106.95 3hmj h SER 1865Ca -0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 3hmj h SER 1865Cb 0.03 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 3hmj h SER 1865CO 0.00 0.84 1.32 0.12 -0.53 0.00 0.00 176.83 178.58 3hmj s PHE 1866N -2.93 1.75 0.00 2.24 2.19 -0.44 -4.85 117.98 115.94 3hmj s PHE 1866Ca 0.01 0.71 0.00 0.00 0.33 0.00 0.00 56.93 57.98 3hmj s PHE 1866Cb 0.10 -4.14 0.00 0.00 -1.31 0.00 0.00 43.02 37.67 3hmj s PHE 1866CO 0.79 -2.33 0.00 -1.13 1.83 0.00 0.00 175.22 174.39 3hmj n SER 1867N 12.17 0.00 -0.03 6.13 3.41 -1.26 -4.50 113.62 129.54 3hmj n SER 1867Ca 0.19 -0.94 -0.15 0.00 -0.26 0.00 0.00 58.87 57.71 3hmj n SER 1867Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3hmj n SER 1867CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3hmj h GLN 1868N 0.00 0.30 -0.03 4.33 4.15 -1.96 -2.47 115.11 119.43 3hmj h GLN 1868Ca 0.00 -0.26 0.01 0.00 0.77 0.00 0.00 58.65 59.17 3hmj h GLN 1868Cb 0.00 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 3hmj h GLN 1868CO 0.00 0.92 0.03 0.93 -1.93 0.00 0.00 178.83 178.78 3hmj h GLU 1869N -0.23 0.00 -0.12 1.69 3.07 -1.98 0.25 114.58 117.25 3hmj h GLU 1869Ca -0.03 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.60 3hmj h GLU 1869Cb 0.99 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.91 3hmj h GLU 1869CO 0.06 0.00 -0.83 0.00 -1.40 0.00 0.00 179.01 176.84 3hmj h ALA 1870N 1.97 0.29 -0.14 3.43 0.00 -1.90 0.39 119.26 123.30 3hmj h ALA 1870Ca 0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3hmj h ALA 1870Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hmj h ALA 1870CO -0.00 0.69 -0.41 1.25 0.00 0.00 0.00 179.25 180.78 3hmj h LEU 1871N 0.50 0.60 0.15 0.00 6.46 -0.86 -0.98 115.31 121.18 3hmj h LEU 1871Ca -0.07 -0.59 0.02 0.00 -0.12 0.00 0.00 57.88 57.12 3hmj h LEU 1871Cb 1.46 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.18 3hmj h LEU 1871CO 0.17 1.09 -0.36 1.56 -0.62 0.00 0.00 178.44 180.28 3hmj h GLN 1872N 0.14 -0.59 0.08 1.25 4.20 -1.04 -0.40 115.11 118.75 3hmj h GLN 1872Ca -0.01 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.76 3hmj h GLN 1872Cb 1.03 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.89 3hmj h GLN 1872CO 0.09 -0.39 -0.47 -0.92 -0.67 0.00 0.00 178.83 176.47 3hmj h TYR 1873N -0.61 -1.33 -0.54 2.96 3.20 -0.90 -0.44 116.97 119.31 3hmj h TYR 1873Ca 0.02 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3hmj h TYR 1873Cb 0.63 0.57 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 3hmj h TYR 1873CO -0.31 -0.55 0.17 0.28 -1.64 0.00 0.00 178.16 176.12 3hmj h VAL 1874N -0.67 0.77 -0.18 1.81 2.07 -1.07 -1.86 116.25 117.13 3hmj h VAL 1874Ca 0.02 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3hmj h VAL 1874Cb 0.71 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3hmj h VAL 1874CO -0.29 0.06 -0.30 0.58 0.02 0.00 0.00 177.57 177.64 3hmj h VAL 1875N 0.33 1.27 -0.04 2.57 2.07 -0.78 -2.38 116.25 119.29 3hmj h VAL 1875Ca 0.27 -1.30 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 3hmj h VAL 1875Cb 0.32 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hmj h VAL 1875CO -0.29 0.40 -0.53 -0.33 0.02 0.00 0.00 177.57 176.84 3hmj h GLU 1876N 0.31 0.10 0.02 1.57 5.08 -0.48 -1.05 114.58 120.14 3hmj h GLU 1876Ca 0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hmj h GLU 1876Cb 0.69 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hmj h GLU 1876CO 0.05 0.61 -0.01 0.00 -1.00 0.00 0.00 179.01 178.66 3hmj h ARG 1877N 0.08 -0.02 0.00 2.33 2.47 -1.21 -1.97 114.38 116.06 3hmj h ARG 1877Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hmj h ARG 1877Cb 0.96 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3hmj h ARG 1877CO 0.07 0.66 -0.01 -0.24 0.56 0.00 0.00 179.97 181.01 3hmj h VAL 1878N -0.74 0.26 0.63 2.04 3.04 -1.44 0.47 116.25 120.50 3hmj h VAL 1878Ca -0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 3hmj h VAL 1878Cb 0.69 1.06 0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3hmj h VAL 1878CO 0.00 0.01 -0.30 1.23 -1.01 0.00 0.00 177.57 177.50 3hmj h GLY 1879N 0.20 -0.88 1.09 3.17 0.00 -1.11 -3.12 103.07 102.41 3hmj h GLY 1879Ca -0.00 0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 3hmj h GLY 1879CO 0.00 -0.32 -0.09 1.70 0.00 0.00 0.00 176.54 177.83 3hmj h LYS 1880N -1.19 1.03 0.64 4.80 3.64 -0.54 -2.62 116.57 122.32 3hmj h LYS 1880Ca -0.09 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3hmj h LYS 1880Cb 0.65 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hmj h LYS 1880CO 0.14 1.06 -0.34 -0.09 -2.27 0.00 0.00 179.45 177.96 3hmj h ARG 1881N 0.91 -0.86 0.00 1.90 9.65 -0.24 -3.04 114.38 122.70 3hmj h ARG 1881Ca 0.14 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3hmj h ARG 1881Cb 0.66 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 3hmj h ARG 1881CO 0.05 -0.58 0.00 0.25 2.80 0.00 0.00 179.97 182.49 3hmj n THR 1882N -4.51 0.17 -1.40 0.20 -2.24 -1.18 -4.85 114.28 100.49 3hmj n THR 1882Ca -0.11 0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 3hmj n THR 1882Cb 0.36 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 3hmj n THR 1882CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hmj n GLY 1883N 0.77 1.39 0.00 3.38 0.00 -0.99 -4.93 105.19 104.81 3hmj n GLY 1883Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hmj n GLY 1883CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hmj n TRP 1884N -2.09 0.00 -3.83 1.61 8.01 -1.21 -5.05 117.44 114.88 3hmj n TRP 1884Ca -0.15 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.76 3hmj n TRP 1884Cb 0.56 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.70 3hmj n TRP 1884CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 3hmj s LEU 1885N 0.00 1.86 -0.01 -0.99 2.96 -1.26 -4.82 118.68 116.42 3hmj s LEU 1885Ca 0.00 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 3hmj s LEU 1885Cb 0.00 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.83 3hmj s LEU 1885CO 0.00 -0.28 0.02 0.68 -1.32 0.00 0.00 176.35 175.45 3hmj s VAL 1886N 1.63 -0.02 0.04 1.68 -7.23 -1.26 -0.61 120.40 114.62 3hmj s VAL 1886Ca -0.03 0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.21 3hmj s VAL 1886Cb -0.18 -0.07 -0.01 0.00 0.56 0.00 0.00 36.38 36.69 3hmj s VAL 1886CO -0.08 0.06 0.12 -1.61 -0.31 0.00 0.00 175.10 173.29 3hmj s GLU 1887N 0.68 0.61 -0.20 4.82 2.02 -1.19 -4.73 118.70 120.71 3hmj s GLU 1887Ca -0.06 -0.69 -0.25 0.00 0.02 0.00 0.00 54.97 53.99 3hmj s GLU 1887Cb -0.08 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 3hmj s GLU 1887CO -0.02 -0.16 0.84 0.42 0.02 0.00 0.00 175.26 176.37 3hmj s ILE 1888N -2.49 4.86 -0.24 -1.63 1.01 -1.26 -2.30 121.20 119.15 3hmj s ILE 1888Ca -0.06 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 3hmj s ILE 1888Cb -0.02 -4.14 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 3hmj s ILE 1888CO -0.04 -0.02 -0.26 0.52 0.00 0.00 0.00 174.94 175.15 3hmj n VAL 1889N 4.93 1.35 -4.08 2.92 0.31 0.22 -4.89 118.33 119.09 3hmj n VAL 1889Ca 0.05 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.60 3hmj n VAL 1889Cb 0.48 -1.54 -0.14 0.00 -0.91 0.00 0.00 33.84 31.73 3hmj n VAL 1889CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3hmj s ASN 1890N -6.68 4.25 -0.76 4.52 0.02 -0.04 -4.95 114.94 111.31 3hmj s ASN 1890Ca -0.33 -0.37 -0.09 0.00 -1.02 0.00 0.00 52.86 51.05 3hmj s ASN 1890Cb 0.10 -1.71 0.20 0.00 0.02 0.00 0.00 41.25 39.86 3hmj s ASN 1890CO 0.49 0.02 0.65 -0.31 0.02 0.00 0.00 177.10 177.97 3hmj s TYR 1891N 1.22 3.63 -0.19 2.20 1.51 -1.26 -1.16 117.35 123.31 3hmj s TYR 1891Ca 0.03 -2.34 -0.15 0.00 -1.01 0.00 0.00 57.07 53.59 3hmj s TYR 1891Cb -0.14 -3.55 -0.07 0.00 -0.11 0.00 0.00 41.96 38.08 3hmj s TYR 1891CO -0.02 -0.92 -0.28 0.09 -1.11 0.00 0.00 175.55 173.32 3hmj n ASN 1892N 3.68 1.91 -3.89 2.29 3.02 -0.89 -4.94 115.26 116.44 3hmj n ASN 1892Ca 0.12 0.41 -0.25 0.00 -0.03 0.00 0.00 54.58 54.83 3hmj n ASN 1892Cb 0.43 -0.80 -0.17 0.00 -0.61 0.00 0.00 39.78 38.63 3hmj n ASN 1892CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hmj s VAL 1893N -2.66 0.87 0.12 2.41 1.01 -0.67 -4.97 120.40 116.51 3hmj s VAL 1893Ca -0.27 -0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.15 3hmj s VAL 1893Cb 0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 36.38 35.36 3hmj s VAL 1893CO 0.40 0.34 1.39 1.21 0.00 0.00 0.00 175.10 178.43 3hmj n GLU 1894N 4.85 1.46 -1.13 2.72 2.13 -1.26 -1.32 120.64 128.09 3hmj n GLU 1894Ca -0.13 0.53 -0.04 0.00 0.66 0.00 0.00 57.16 58.17 3hmj n GLU 1894Cb 0.50 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.00 3hmj n GLU 1894CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hmj n ASN 1895N 2.70 -5.57 0.07 4.31 3.02 -1.26 -4.65 115.26 113.88 3hmj n ASN 1895Ca 0.17 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3hmj n ASN 1895Cb 0.23 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 3hmj n ASN 1895CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmj n GLN 1896N -0.16 0.00 -3.97 3.52 6.02 -0.63 -2.99 117.38 119.16 3hmj n GLN 1896Ca -0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 3hmj n GLN 1896Cb 0.49 -0.09 -0.16 0.00 1.02 0.00 0.00 30.24 31.50 3hmj n GLN 1896CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hmj s GLN 1897N -2.00 1.90 0.15 -1.09 -0.21 -0.44 -3.85 119.66 114.12 3hmj s GLN 1897Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.59 3hmj s GLN 1897Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 3hmj s GLN 1897CO 0.00 -0.45 -0.06 0.71 -2.12 0.00 0.00 175.29 173.37 3hmj s TYR 1898N 1.42 1.19 -0.02 0.91 1.51 -0.08 -1.68 117.35 120.61 3hmj s TYR 1898Ca -0.02 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.17 3hmj s TYR 1898Cb -0.16 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 3hmj s TYR 1898CO -0.08 -0.06 -0.00 0.08 -1.11 0.00 0.00 175.55 174.38 3hmj s VAL 1899N -3.50 0.13 0.10 0.71 1.01 -0.30 0.01 120.40 118.57 3hmj s VAL 1899Ca 0.18 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.31 3hmj s VAL 1899Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 3hmj s VAL 1899CO 0.01 0.11 -0.22 0.00 0.00 0.00 0.00 175.10 175.00 3hmj s ALA 1900N 0.70 2.54 0.27 5.51 0.00 0.44 0.71 121.76 131.92 3hmj s ALA 1900Ca -0.07 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3hmj s ALA 1900Cb -0.10 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 3hmj s ALA 1900CO -0.01 0.57 0.03 0.00 0.00 0.00 0.00 175.76 176.34 3hmj n ALA 1901N 1.05 0.28 0.00 0.00 0.00 -0.97 -0.32 120.51 120.55 3hmj n ALA 1901Ca -0.17 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.02 3hmj n ALA 1901Cb 0.53 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.72 3hmj n ALA 1901CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmj n GLY 1902N 1.19 0.57 3.68 0.00 0.00 -1.04 -3.19 105.19 106.40 3hmj n GLY 1902Ca -0.09 -2.22 -0.53 0.00 0.00 0.00 0.00 46.02 43.18 3hmj n GLY 1902CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hmj n ASP 1903N 0.12 2.65 -0.21 1.61 -0.08 0.22 -2.68 116.55 118.18 3hmj n ASP 1903Ca 0.00 1.05 0.27 0.00 -1.51 0.00 0.00 54.79 54.60 3hmj n ASP 1903Cb 0.00 -1.24 0.68 0.00 2.34 0.00 0.00 41.12 42.89 3hmj n ASP 1903CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3hmj h LEU 1904N 7.28 0.10 -0.12 -2.67 3.38 -1.69 -0.15 115.31 121.43 3hmj h LEU 1904Ca -0.47 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 3hmj h LEU 1904Cb 1.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3hmj h LEU 1904CO 0.92 0.03 -0.32 0.03 0.09 0.00 0.00 178.44 179.19 3hmj h ARG 1905N 0.10 0.43 -0.29 1.13 3.08 -1.88 -2.30 114.38 114.65 3hmj h ARG 1905Ca 0.46 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3hmj h ARG 1905Cb 1.65 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 3hmj h ARG 1905CO -0.06 0.92 0.08 0.00 -1.07 0.00 0.00 179.97 179.84 3hmj h ALA 1906N 0.51 1.60 -0.20 0.04 0.00 -1.37 -1.41 119.26 118.44 3hmj h ALA 1906Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3hmj h ALA 1906Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hmj h ALA 1906CO 0.07 0.31 -0.33 -0.07 0.00 0.00 0.00 179.25 179.22 3hmj h LEU 1907N 0.41 0.42 -0.32 0.00 -0.00 -1.13 -1.92 115.31 112.77 3hmj h LEU 1907Ca 0.10 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 57.76 3hmj h LEU 1907Cb 0.15 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3hmj h LEU 1907CO -0.00 0.73 -0.28 -0.78 -0.00 0.00 0.00 178.44 178.10 3hmj h ASP 1908N 0.35 0.00 0.15 -0.43 3.58 -0.73 -1.65 116.42 117.69 3hmj h ASP 1908Ca 0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3hmj h ASP 1908Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 3hmj h ASP 1908CO 0.06 0.28 -0.07 0.74 -2.88 0.00 0.00 179.24 177.37 3hmj h THR 1909N 0.00 0.66 -0.93 2.25 2.02 -1.14 -3.05 112.91 112.71 3hmj h THR 1909Ca -0.00 -1.17 0.12 0.00 0.77 0.00 0.00 66.41 66.13 3hmj h THR 1909Cb 1.10 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 68.58 3hmj h THR 1909CO 0.04 0.19 0.56 0.58 0.37 0.00 0.00 175.52 177.26 3hmj h VAL 1910N -0.95 0.87 0.00 3.16 2.07 -1.38 0.81 116.25 120.83 3hmj h VAL 1910Ca -0.02 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hmj h VAL 1910Cb 0.46 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3hmj h VAL 1910CO 0.03 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.58 3hmj h THR 1911N 0.87 0.91 0.08 2.57 1.03 -1.41 -1.60 112.91 115.36 3hmj h THR 1911Ca 0.47 -0.76 -0.37 0.00 -0.01 0.00 0.00 66.41 65.74 3hmj h THR 1911Cb 0.51 1.44 -0.04 0.00 -1.07 0.00 0.00 68.15 68.99 3hmj h THR 1911CO -0.28 0.20 -2.14 0.59 -0.01 0.00 0.00 175.52 173.87 3hmj n ASN 1912N -3.96 2.07 -0.25 0.00 3.02 0.41 -2.76 115.26 113.78 3hmj n ASN 1912Ca -0.02 0.10 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 3hmj n ASN 1912Cb 0.29 -0.72 0.18 0.00 -0.61 0.00 0.00 39.78 38.92 3hmj n ASN 1912CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hmj h VAL 1913N -0.01 0.58 -0.03 2.41 2.07 0.46 -0.97 116.25 120.75 3hmj h VAL 1913Ca -0.48 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3hmj h VAL 1913Cb 1.95 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hmj h VAL 1913CO 0.01 0.06 0.01 -0.07 0.02 0.00 0.00 177.57 177.60 3hmj h LEU 1914N 0.34 0.04 -1.61 2.57 -0.00 -1.41 -1.68 115.31 113.56 3hmj h LEU 1914Ca 0.41 -0.11 0.15 0.00 -0.00 0.00 0.00 57.88 58.33 3hmj h LEU 1914Cb 0.68 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.28 3hmj h LEU 1914CO -0.46 0.13 0.49 0.78 -0.00 0.00 0.00 178.44 179.38 3hmj h ASN 1915N -0.06 0.36 0.49 -0.43 4.21 -1.21 -1.99 115.58 116.95 3hmj h ASN 1915Ca 0.01 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 3hmj h ASN 1915Cb 0.10 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3hmj h ASN 1915CO -0.00 0.19 -0.24 0.15 -1.29 0.00 0.00 177.43 176.24 3hmj h PHE 1916N 0.39 -0.61 -0.93 1.19 3.57 -0.82 -2.81 116.94 116.92 3hmj h PHE 1916Ca 0.36 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 62.11 3hmj h PHE 1916Cb 0.84 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3hmj h PHE 1916CO -0.00 -0.34 0.79 0.82 -2.23 0.00 0.00 178.31 177.35 3hmj h ILE 1917N -1.13 0.33 0.02 1.41 2.04 -0.79 0.11 117.51 119.49 3hmj h ILE 1917Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hmj h ILE 1917Cb 0.54 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3hmj h ILE 1917CO 0.11 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.75 3hmj h LYS 1918N 0.00 -0.03 0.00 2.37 3.64 -1.36 -2.02 116.57 119.17 3hmj h LYS 1918Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3hmj h LYS 1918Cb 2.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3hmj h LYS 1918CO -0.00 0.69 0.00 1.28 -2.27 0.00 0.00 179.45 179.15 3hmj n LEU 1919N -4.71 0.62 0.02 5.20 4.77 -0.67 -2.04 117.00 120.19 3hmj n LEU 1919Ca -0.08 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3hmj n LEU 1919Cb 0.36 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3hmj n LEU 1919CO 0.28 -0.54 -0.22 1.67 -1.33 0.00 0.00 177.39 177.25 3hmj n GLN 1920N -2.18 0.40 -3.35 3.23 -0.06 0.29 -5.02 117.38 110.69 3hmj n GLN 1920Ca 0.02 -0.04 -0.17 0.00 -2.00 0.00 0.00 57.00 54.81 3hmj n GLN 1920Cb 0.22 -1.59 0.05 0.00 -4.06 0.00 0.00 30.24 24.86 3hmj n GLN 1920CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3hmj n LYS 1921N -2.08 -1.77 -3.51 3.69 5.02 -0.80 -4.96 118.16 113.74 3hmj n LYS 1921Ca 0.00 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.75 3hmj n LYS 1921Cb 0.48 -5.24 -0.06 0.00 -0.02 0.00 0.00 35.03 30.18 3hmj n LYS 1921CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hmj s ILE 1922N -3.32 4.59 -0.64 -0.18 1.01 -0.96 -5.03 121.20 116.68 3hmj s ILE 1922Ca 0.36 -2.38 -0.26 0.00 0.00 0.00 0.00 60.65 58.37 3hmj s ILE 1922Cb -0.07 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 3hmj s ILE 1922CO 0.78 -0.90 1.87 -0.62 0.00 0.00 0.00 174.94 176.07 3hmj s ASP 1923N 1.93 5.26 0.44 3.58 -1.08 -1.26 -4.85 116.67 120.68 3hmj s ASP 1923Ca 0.13 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.64 3hmj s ASP 1923Cb -0.19 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.32 3hmj s ASP 1923CO -0.04 -2.41 1.69 0.40 0.52 0.00 0.00 175.17 175.32 3hmj h ILE 1924N 6.92 0.23 -0.00 4.11 2.04 -1.96 -2.28 117.51 126.57 3hmj h ILE 1924Ca -0.23 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 3hmj h ILE 1924Cb 1.15 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 3hmj h ILE 1924CO 1.22 0.12 -0.39 0.40 0.00 0.00 0.00 178.15 179.49 3hmj h ILE 1925N 0.00 1.28 0.15 -0.67 2.04 -1.88 -2.62 117.51 115.81 3hmj h ILE 1925Ca -0.00 -1.35 -0.32 0.00 1.00 0.00 0.00 64.86 64.18 3hmj h ILE 1925Cb 0.93 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3hmj h ILE 1925CO 0.02 0.39 -1.61 -0.33 0.00 0.00 0.00 178.15 176.62 3hmj h GLU 1926N 0.00 0.32 0.00 2.37 4.39 -1.92 -3.30 114.58 116.45 3hmj h GLU 1926Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3hmj h GLU 1926Cb 0.70 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3hmj h GLU 1926CO 0.05 1.20 0.00 -0.07 -1.16 0.00 0.00 179.01 179.04 3hmj h LEU 1927N 0.09 0.00 -0.13 1.33 3.38 -1.44 -2.60 115.31 115.94 3hmj h LEU 1927Ca -0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3hmj h LEU 1927Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 3hmj h LEU 1927CO 0.18 0.00 -0.48 -0.61 0.09 0.00 0.00 178.44 177.62 3hmj h GLN 1928N 0.00 0.00 0.00 1.13 5.75 -1.54 -1.54 115.11 118.91 3hmj h GLN 1928Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3hmj h GLN 1928Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 3hmj h GLN 1928CO 0.00 0.48 -0.16 0.87 -2.65 0.00 0.00 178.83 177.37 3hmj h LYS 1929N 0.00 0.00 -0.07 1.69 1.57 -1.57 -3.39 116.57 114.79 3hmj h LYS 1929Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3hmj h LYS 1929Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3hmj h LYS 1929CO 0.06 0.84 -0.58 0.77 -0.57 0.00 0.00 179.45 179.97 3hmj h SER 1930N -1.00 0.26 -0.45 0.86 0.02 -1.54 -3.45 113.55 108.24 3hmj h SER 1930Ca -0.04 -0.15 -0.63 0.00 -0.84 0.00 0.00 61.79 60.14 3hmj h SER 1930Cb 0.88 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.26 3hmj h SER 1930CO -0.02 0.78 -0.40 -0.76 -1.14 0.00 0.00 176.83 175.29 3hmj s LEU 1931N -7.96 2.51 0.61 5.07 1.43 -0.58 -5.10 118.68 114.66 3hmj s LEU 1931Ca -0.04 -1.44 0.04 0.00 -1.03 0.00 0.00 54.13 51.66 3hmj s LEU 1931Cb 0.12 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.45 3hmj s LEU 1931CO 0.79 -1.00 0.84 -0.94 0.23 0.00 0.00 176.35 176.27 3hmj s SER 1932N -4.10 4.92 0.08 2.29 1.04 -1.26 -4.65 113.70 112.00 3hmj s SER 1932Ca 0.21 -0.47 -0.34 0.00 0.48 0.00 0.00 55.95 55.83 3hmj s SER 1932Cb -0.01 -0.14 -0.18 0.00 0.10 0.00 0.00 66.02 65.79 3hmj s SER 1932CO 0.13 -1.43 1.60 -0.07 0.98 0.00 0.00 173.24 174.45 3hmj h LEU 1933N -0.05 -0.98 -2.58 2.42 3.38 -1.95 -2.27 115.31 113.27 3hmj h LEU 1933Ca -0.36 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3hmj h LEU 1933Cb 1.28 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 3hmj h LEU 1933CO 0.43 -0.62 0.04 -0.33 0.09 0.00 0.00 178.44 178.05 3hmj h GLU 1934N -0.99 0.00 0.05 1.13 3.07 -1.98 -0.45 114.58 115.41 3hmj h GLU 1934Ca -0.08 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3hmj h GLU 1934Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3hmj h GLU 1934CO 0.10 0.00 -0.03 1.49 -1.40 0.00 0.00 179.01 179.17 3hmj h GLU 1935N 0.00 -0.07 0.06 2.33 4.57 -1.80 -2.62 114.58 117.04 3hmj h GLU 1935Ca 0.01 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.96 3hmj h GLU 1935Cb 0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3hmj h GLU 1935CO -0.00 0.55 -1.09 -0.39 -1.18 0.00 0.00 179.01 176.89 3hmj h VAL 1936N -0.83 1.60 -0.12 0.32 -1.51 -1.32 -2.12 116.25 112.27 3hmj h VAL 1936Ca -0.01 -3.19 0.01 0.00 -1.23 0.00 0.00 66.70 62.28 3hmj h VAL 1936Cb 0.65 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 32.65 3hmj h VAL 1936CO 0.01 0.92 -0.10 -0.08 -1.23 0.00 0.00 177.57 177.09 3hmj h GLU 1937N 0.04 -0.03 -0.89 5.19 4.57 -1.18 -0.25 114.58 122.03 3hmj h GLU 1937Ca -0.07 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.26 3hmj h GLU 1937Cb 1.83 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 30.36 3hmj h GLU 1937CO 0.16 -0.02 0.58 0.78 -1.18 0.00 0.00 179.01 179.33 3hmj h GLY 1938N -0.04 1.20 0.43 1.92 0.00 -1.51 -0.62 103.07 104.45 3hmj h GLY 1938Ca 0.02 -0.29 0.12 0.00 0.00 0.00 0.00 47.33 47.18 3hmj h GLY 1938CO -0.13 0.08 0.60 0.84 0.00 0.00 0.00 176.54 177.93 3hmj h HIS 1939N 0.68 1.09 0.00 5.60 -0.00 -0.36 -1.28 115.15 120.88 3hmj h HIS 1939Ca 0.45 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.71 3hmj h HIS 1939Cb 0.75 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 3hmj h HIS 1939CO -0.00 0.41 -1.86 1.47 -0.00 0.00 0.00 177.93 177.94 3hmj n LEU 1940N -4.66 0.30 -0.13 0.26 -0.00 -0.69 -3.59 117.00 108.49 3hmj n LEU 1940Ca 0.19 0.13 0.22 0.00 -0.00 0.00 0.00 56.01 56.55 3hmj n LEU 1940Cb 0.37 0.15 0.64 0.00 -0.00 0.00 0.00 43.42 44.58 3hmj n LEU 1940CO 0.26 0.16 1.22 -0.26 -0.00 0.00 0.00 177.39 178.77 3hmj h PHE 1941N 0.00 0.18 -0.06 1.47 0.05 -0.60 1.07 116.94 119.05 3hmj h PHE 1941Ca -0.19 0.01 -0.12 0.00 3.82 0.00 0.00 57.97 61.49 3hmj h PHE 1941Cb 1.50 -0.05 0.01 0.00 2.00 0.00 0.00 35.95 39.40 3hmj h PHE 1941CO 0.00 0.05 -0.41 0.93 -0.18 0.00 0.00 178.31 178.70 3hmj h GLU 1942N 0.14 0.38 -0.76 1.51 5.08 -1.34 -2.27 114.58 117.32 3hmj h GLU 1942Ca 0.37 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hmj h GLU 1942Cb 1.25 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 3hmj h GLU 1942CO -0.05 0.99 0.40 0.82 -1.00 0.00 0.00 179.01 180.16 3hmj h ILE 1943N -0.11 1.24 -0.11 3.13 2.04 -1.04 -2.51 117.51 120.14 3hmj h ILE 1943Ca -0.04 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3hmj h ILE 1943Cb 1.09 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3hmj h ILE 1943CO 0.08 0.27 -0.04 0.40 0.00 0.00 0.00 178.15 178.87 3hmj h ILE 1944N 1.06 0.87 0.00 -0.67 2.04 0.10 -3.12 117.51 117.78 3hmj h ILE 1944Ca 0.27 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 3hmj h ILE 1944Cb 0.07 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3hmj h ILE 1944CO -0.04 0.00 -0.09 0.44 0.00 0.00 0.00 178.15 178.46 3hmj h ASP 1945N -0.02 0.00 1.38 1.72 3.32 -0.98 0.23 116.42 122.07 3hmj h ASP 1945Ca 0.06 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3hmj h ASP 1945Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hmj h ASP 1945CO -0.12 0.09 -0.65 -0.33 -1.72 0.00 0.00 179.24 176.51 3hmj h GLU 1946N 0.00 0.00 0.00 3.56 5.08 -1.44 -3.13 114.58 118.66 3hmj h GLU 1946Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3hmj h GLU 1946Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3hmj h GLU 1946CO 0.01 0.25 -1.91 0.00 -1.00 0.00 0.00 179.01 176.36 3hmj n ALA 1947N -2.22 1.55 -0.08 3.43 0.00 -0.54 -4.15 120.51 118.52 3hmj n ALA 1947Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 3hmj n ALA 1947Cb 0.67 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 19.53 3hmj n ALA 1947CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hmj h SER 1948N 0.00 0.82 -0.55 0.00 4.64 -0.69 -2.42 113.55 115.34 3hmj h SER 1948Ca -0.36 -0.35 0.10 0.00 -0.47 0.00 0.00 61.79 60.71 3hmj h SER 1948Cb 2.04 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.82 3hmj h SER 1948CO 0.06 1.09 0.11 0.11 -0.87 0.00 0.00 176.83 177.32 3hmj h LYS 1949N 0.65 0.23 -0.22 4.77 1.57 -1.73 -2.56 116.57 119.28 3hmj h LYS 1949Ca 0.06 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3hmj h LYS 1949Cb 0.90 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3hmj h LYS 1949CO 0.08 0.15 -0.03 0.87 -0.57 0.00 0.00 179.45 179.95 3hmj h LYS 1950N 0.24 0.34 0.00 3.15 1.57 -1.59 -2.90 116.57 117.38 3hmj h LYS 1950Ca 0.28 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 3hmj h LYS 1950Cb 0.40 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3hmj h LYS 1950CO -0.37 0.39 -1.66 -1.13 -0.57 0.00 0.00 179.45 176.11 3hmj n SER 1951N -4.32 0.71 0.10 0.86 3.41 -1.12 -3.75 113.62 109.50 3hmj n SER 1951Ca 0.00 0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.94 3hmj n SER 1951Cb 0.22 0.29 0.33 0.00 -0.26 0.00 0.00 64.21 64.79 3hmj n SER 1951CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hmj h ALA 1952N 1.26 1.37 -0.00 7.33 0.00 -1.35 -2.24 119.26 125.63 3hmj h ALA 1952Ca -0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hmj h ALA 1952Cb 1.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3hmj h ALA 1952CO 0.05 0.43 0.00 0.28 0.00 0.00 0.00 179.25 180.01 3hmj n VAL 1953N -4.20 0.00 -3.12 0.00 0.31 -1.10 -4.81 118.33 105.41 3hmj n VAL 1953Ca -0.01 -0.02 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 3hmj n VAL 1953Cb 0.33 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.82 3hmj n VAL 1953CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hmj s LYS 1954N -2.00 4.05 0.62 5.55 1.02 -0.85 -5.07 119.74 123.07 3hmj s LYS 1954Ca 0.43 0.72 -0.06 0.00 0.02 0.00 0.00 55.97 57.09 3hmj s LYS 1954Cb 0.20 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 3hmj s LYS 1954CO 0.34 0.19 -0.24 -2.30 -0.92 0.00 0.00 175.35 172.41 3hmj n PRO 1955N -0.19 -0.15 0.00 -1.68 -0.02 -1.26 -4.86 135.00 126.84 3hmj n PRO 1955Ca 0.03 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3hmj n PRO 1955Cb 0.53 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3hmj n PRO 1955CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hmj n ARG 1956N 1.84 0.00 -3.12 -0.52 1.74 -1.26 -3.60 116.66 111.74 3hmj n ARG 1956Ca 0.00 0.37 -0.44 0.00 -0.77 0.00 0.00 57.85 57.01 3hmj n ARG 1956Cb 0.15 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3hmj n ARG 1956CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hmj n PRO 1957N -1.44 3.55 -1.14 5.56 -0.02 -1.26 -5.02 135.00 135.22 3hmj n PRO 1957Ca 0.00 -4.19 -0.43 0.00 -2.02 0.00 0.00 63.50 56.86 3hmj n PRO 1957Cb 0.00 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 30.68 3hmj n PRO 1957CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hmj n LEU 1958N 3.75 -0.42 -4.41 2.45 7.94 -1.24 -4.91 117.00 120.16 3hmj n LEU 1958Ca 0.30 0.90 -0.44 0.00 -1.11 0.00 0.00 56.01 55.65 3hmj n LEU 1958Cb 0.40 -0.73 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 3hmj n LEU 1958CO 0.56 -1.86 0.44 -0.75 -1.11 0.00 0.00 177.39 174.67 3hmj s LYS 1959N -0.33 3.08 0.23 1.96 2.20 -1.26 -4.99 119.74 120.63 3hmj s LYS 1959Ca 0.62 -1.12 -0.32 0.00 -0.36 0.00 0.00 55.97 54.80 3hmj s LYS 1959Cb -0.88 -4.21 -0.13 0.00 -1.51 0.00 0.00 37.83 31.10 3hmj s LYS 1959CO 0.44 -1.48 1.57 1.28 -0.36 0.00 0.00 175.35 176.80 3hmj n LEU 1960N 6.47 3.67 -4.57 5.43 4.77 -1.26 -5.00 117.00 126.52 3hmj n LEU 1960Ca -0.08 1.11 -0.26 0.00 -0.03 0.00 0.00 56.01 56.75 3hmj n LEU 1960Cb 0.44 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.91 3hmj n LEU 1960CO 0.58 -0.11 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.57 3hmj s GLU 1961N 0.22 1.87 0.93 3.23 2.02 -1.26 -4.92 118.70 120.79 3hmj s GLU 1961Ca 0.71 -1.95 -0.11 0.00 0.02 0.00 0.00 54.97 53.64 3hmj s GLU 1961Cb -0.58 -1.71 0.15 0.00 0.10 0.00 0.00 34.13 32.09 3hmj s GLU 1961CO 0.43 0.10 1.11 0.50 0.02 0.00 0.00 175.26 177.42 3hmj s ARG 1962N -3.64 0.90 0.00 1.61 3.52 -1.26 -4.78 118.95 115.31 3hmj s ARG 1962Ca 0.33 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.18 3hmj s ARG 1962Cb 0.04 -1.74 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 3hmj s ARG 1962CO 0.17 -2.61 0.00 0.41 -0.81 0.00 0.00 175.30 172.46 3hmj n GLY 1963N -0.12 6.01 0.09 8.12 0.00 0.10 -4.97 105.19 114.41 3hmj n GLY 1963Ca 0.09 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.53 3hmj n GLY 1963CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hmj n PHE 1964N 0.00 0.82 -1.04 1.61 3.72 -1.26 -4.37 117.46 116.93 3hmj n PHE 1964Ca 0.00 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3hmj n PHE 1964Cb 0.00 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 3hmj n PHE 1964CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hmj n ALA 1965N -2.36 0.66 -3.08 4.37 0.00 -1.26 -4.63 120.51 114.22 3hmj n ALA 1965Ca -0.09 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 3hmj n ALA 1965Cb 0.77 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.07 3hmj n ALA 1965CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hmj s ILE 1967N 0.26 1.54 0.15 0.00 1.01 -0.45 -0.72 121.20 122.98 3hmj s ILE 1967Ca -0.12 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 3hmj s ILE 1967Cb -0.16 -1.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 3hmj s ILE 1967CO 0.07 0.44 1.00 -2.84 0.00 0.00 0.00 174.94 173.61 3hmj s PRO 1968N 0.30 4.69 -0.93 2.79 0.02 -1.26 0.35 135.00 140.96 3hmj s PRO 1968Ca -0.11 1.55 -0.22 0.00 0.02 0.00 0.00 61.00 62.24 3hmj s PRO 1968Cb -0.15 -3.33 0.08 0.00 0.02 0.00 0.00 34.50 31.12 3hmj s PRO 1968CO 0.05 0.22 1.28 -0.51 -0.33 0.00 0.00 177.00 177.70 3hmj s LEU 1969N -0.31 4.05 0.14 -5.54 1.43 0.64 -4.88 118.68 114.21 3hmj s LEU 1969Ca 0.47 -1.50 -0.31 0.00 -1.03 0.00 0.00 54.13 51.75 3hmj s LEU 1969Cb -0.26 -2.50 -0.10 0.00 0.03 0.00 0.00 46.19 43.36 3hmj s LEU 1969CO 0.32 -1.39 1.67 -0.69 0.23 0.00 0.00 176.35 176.49 3hmj s VAL 1970N 4.23 2.60 0.00 -1.59 1.01 -1.26 -2.95 120.40 122.44 3hmj s VAL 1970Ca 0.38 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3hmj s VAL 1970Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3hmj s VAL 1970CO -0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3hmj n GLY 1971N 3.96 3.10 3.77 4.51 0.00 -1.26 -5.10 105.19 114.17 3hmj n GLY 1971Ca 0.16 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3hmj n GLY 1971CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmj s ILE 1972N 0.00 2.78 0.00 -0.61 1.01 -1.15 -4.91 121.20 118.32 3hmj s ILE 1972Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3hmj s ILE 1972Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3hmj s ILE 1972CO 0.00 0.18 0.00 -1.54 0.00 0.00 0.00 174.94 173.58 3hmj n SER 1973N 0.90 0.45 -4.76 3.58 3.41 -1.26 -4.30 113.62 111.63 3hmj n SER 1973Ca 0.00 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.24 3hmj n SER 1973Cb 0.42 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 3hmj n SER 1973CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hmj s VAL 1974N -0.20 5.00 -0.13 -3.33 1.01 -1.26 -4.22 120.40 117.26 3hmj s VAL 1974Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3hmj s VAL 1974Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 3hmj s VAL 1974CO 0.00 0.58 2.99 -2.65 0.00 0.00 0.00 175.10 176.02 3hmj n PRO 1975N 2.41 1.89 -1.35 2.72 -0.02 -1.26 -4.80 135.00 134.60 3hmj n PRO 1975Ca -0.19 -1.18 -0.32 0.00 -2.02 0.00 0.00 63.50 59.79 3hmj n PRO 1975Cb 0.54 -1.82 0.09 0.00 -0.02 0.00 0.00 33.50 32.29 3hmj n PRO 1975CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3hmj s PHE 1976N -0.07 2.36 -1.41 6.00 -0.12 -1.26 -2.84 117.98 120.65 3hmj s PHE 1976Ca 0.50 1.60 -0.01 0.00 -0.05 0.00 0.00 56.93 58.97 3hmj s PHE 1976Cb 0.27 -3.19 0.00 0.00 -0.63 0.00 0.00 43.02 39.47 3hmj s PHE 1976CO -0.05 -2.04 0.09 0.72 -0.05 0.00 0.00 175.22 173.88 3hmj n HIS 1977N -3.19 -0.94 -4.50 3.49 8.25 -1.26 -4.94 115.22 112.14 3hmj n HIS 1977Ca 0.11 0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 3hmj n HIS 1977Cb 0.52 -3.47 -0.05 0.00 1.12 0.00 0.00 29.99 28.11 3hmj n HIS 1977CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hmj n SER 1978N -1.29 2.23 0.05 0.41 3.41 -1.13 -4.43 113.62 112.86 3hmj n SER 1978Ca -0.18 -2.72 0.13 0.00 -0.26 0.00 0.00 58.87 55.83 3hmj n SER 1978Cb 0.64 0.52 0.50 0.00 -0.26 0.00 0.00 64.21 65.61 3hmj n SER 1978CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hmj n THR 1979N -0.87 0.39 -0.30 6.66 -2.24 -1.26 -3.93 114.28 112.72 3hmj n THR 1979Ca -0.11 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3hmj n THR 1979Cb 0.49 -0.65 0.23 0.00 -2.10 0.00 0.00 70.33 68.30 3hmj n THR 1979CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3hmj h TYR 1980N 0.00 0.83 -0.29 4.78 5.03 -1.96 -2.53 116.97 122.82 3hmj h TYR 1980Ca 0.00 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 3hmj h TYR 1980Cb 0.53 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.53 3hmj h TYR 1980CO 0.00 0.22 0.11 1.28 -1.32 0.00 0.00 178.16 178.45 3hmj n LEU 1981N -4.83 3.51 0.20 2.82 4.32 -1.25 -4.45 117.00 117.31 3hmj n LEU 1981Ca 0.17 -1.81 0.06 0.00 -0.02 0.00 0.00 56.01 54.42 3hmj n LEU 1981Cb 0.42 -0.60 0.37 0.00 -1.62 0.00 0.00 43.42 41.99 3hmj n LEU 1981CO 0.22 0.53 0.71 -0.03 -1.22 0.00 0.00 177.39 177.60 3hmj h MET 1982N 1.02 0.00 0.00 3.23 4.05 -1.72 -3.24 114.93 118.27 3hmj h MET 1982Ca 0.11 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 3hmj h MET 1982Cb 1.35 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.13 3hmj h MET 1982CO 0.29 0.34 -0.78 -0.91 0.23 0.00 0.00 176.91 176.09 3hmj h ASN 1983N 0.00 0.00 -0.14 1.39 2.35 -1.85 -3.16 115.58 114.18 3hmj h ASN 1983Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hmj h ASN 1983Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3hmj h ASN 1983CO 0.04 0.43 0.00 0.61 -1.65 0.00 0.00 177.43 176.86 3hmj n GLY 1984N 1.26 0.73 0.10 2.83 0.00 -1.22 -2.49 105.19 106.39 3hmj n GLY 1984Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3hmj n GLY 1984CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hmj h VAL 1985N 0.88 0.82 0.00 1.61 2.07 -1.66 -3.35 116.25 116.61 3hmj h VAL 1985Ca 0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3hmj h VAL 1985Cb 0.50 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3hmj h VAL 1985CO 0.05 0.25 0.00 0.11 0.02 0.00 0.00 177.57 178.00 3hmj h LYS 1986N -0.95 0.00 0.00 1.57 1.57 -1.83 0.37 116.57 117.30 3hmj h LYS 1986Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3hmj h LYS 1986Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3hmj h LYS 1986CO 0.02 0.00 -0.79 -1.00 -0.57 0.00 0.00 179.45 177.11 3hmj h PRO 1987N 0.00 0.00 0.22 3.15 0.13 -1.82 -3.07 132.00 130.61 3hmj h PRO 1987Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 3hmj h PRO 1987Cb 0.43 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.58 3hmj h PRO 1987CO 0.00 0.79 -1.60 0.35 -0.23 0.00 0.00 178.00 177.31 3hmj h PHE 1988N 0.00 0.85 0.00 1.56 3.57 -1.41 -2.72 116.94 118.79 3hmj h PHE 1988Ca -0.01 -0.62 0.00 0.00 3.53 0.00 0.00 57.97 60.87 3hmj h PHE 1988Cb 1.43 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3hmj h PHE 1988CO 0.00 1.60 0.00 -0.22 -2.23 0.00 0.00 178.31 177.46 3hmj h LYS 1989N 0.13 0.00 0.11 1.11 1.63 -0.40 0.37 116.57 119.51 3hmj h LYS 1989Ca -0.29 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.14 3hmj h LYS 1989Cb 2.14 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.74 3hmj h LYS 1989CO 0.23 0.00 -2.06 -1.13 -3.45 0.00 0.00 179.45 173.04 3hmj n SER 1990N -2.88 2.11 -0.21 4.20 3.41 -1.16 -3.55 113.62 115.53 3hmj n SER 1990Ca -0.02 0.16 -0.02 0.00 -0.26 0.00 0.00 58.87 58.73 3hmj n SER 1990Cb 0.08 -0.80 0.09 0.00 -0.26 0.00 0.00 64.21 63.32 3hmj n SER 1990CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3hmj h PHE 1991N 0.05 0.60 -0.48 7.33 3.57 -0.78 -0.56 116.94 126.66 3hmj h PHE 1991Ca -0.45 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 3hmj h PHE 1991Cb 2.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 3hmj h PHE 1991CO 0.07 0.27 0.07 -0.07 -2.23 0.00 0.00 178.31 176.42 3hmj h LEU 1992N 0.60 0.78 -1.76 0.59 3.38 -0.53 -2.55 115.31 115.82 3hmj h LEU 1992Ca 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hmj h LEU 1992Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hmj h LEU 1992CO -0.19 0.85 -0.16 0.11 0.09 0.00 0.00 178.44 179.13 3hmj h LYS 1993N 0.68 0.00 -0.00 1.13 1.57 -1.45 0.38 116.57 118.88 3hmj h LYS 1993Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3hmj h LYS 1993Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hmj h LYS 1993CO 0.01 0.16 -0.05 1.63 -0.57 0.00 0.00 179.45 180.64 3hmj n LYS 1994N -3.92 0.36 0.00 3.15 5.02 -0.28 -4.07 118.16 118.43 3hmj n LYS 1994Ca -0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3hmj n LYS 1994Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hmj n LYS 1994CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hmj n ASN 1995N -1.28 3.75 -4.15 4.39 4.13 -0.39 -4.89 115.26 116.83 3hmj n ASN 1995Ca 0.12 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 56.00 3hmj n ASN 1995Cb 0.28 0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 39.14 3hmj n ASN 1995CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hmj s ILE 1996N -1.53 3.97 0.40 2.41 1.01 0.12 -4.83 121.20 122.76 3hmj s ILE 1996Ca 0.00 -2.47 -0.24 0.00 0.00 0.00 0.00 60.65 57.94 3hmj s ILE 1996Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 3hmj s ILE 1996CO 0.00 -0.84 1.05 -0.63 0.00 0.00 0.00 174.94 174.52 3hmj s ILE 1997N 0.51 3.74 0.26 2.92 1.01 -1.26 -4.72 121.20 123.66 3hmj s ILE 1997Ca 0.13 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 62.06 3hmj s ILE 1997Cb -0.21 -3.67 0.25 0.00 0.01 0.00 0.00 42.46 38.85 3hmj s ILE 1997CO -0.04 -0.01 1.69 0.50 0.00 0.00 0.00 174.94 177.08 3hmj h LYS 1998N 2.43 0.29 0.00 2.79 3.64 -1.97 -2.48 116.57 121.28 3hmj h LYS 1998Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3hmj h LYS 1998Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3hmj h LYS 1998CO 0.62 0.19 0.00 0.39 -2.27 0.00 0.00 179.45 178.38 3hmj n GLU 1999N -5.13 0.14 -0.08 1.90 4.71 -1.26 -2.03 120.64 118.88 3hmj n GLU 1999Ca 0.16 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.86 3hmj n GLU 1999Cb 0.51 -1.80 0.18 0.00 -1.01 0.00 0.00 31.44 29.33 3hmj n GLU 1999CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hmj n ASN 2000N -2.07 3.06 -4.34 1.62 3.02 -0.93 -4.71 115.26 110.91 3hmj n ASN 2000Ca 0.02 -1.96 -0.46 0.00 -0.03 0.00 0.00 54.58 52.14 3hmj n ASN 2000Cb 0.18 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3hmj n ASN 2000CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hmj s VAL 2001N -1.78 5.43 -0.25 2.41 1.01 -0.86 -4.30 120.40 122.06 3hmj s VAL 2001Ca 0.33 -2.17 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 3hmj s VAL 2001Cb 0.21 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3hmj s VAL 2001CO 0.31 -1.06 0.74 -0.54 0.00 0.00 0.00 175.10 174.54 3hmj s LYS 2002N 0.74 4.15 0.20 2.72 1.02 -1.26 -4.96 119.74 122.35 3hmj s LYS 2002Ca 0.17 0.76 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 3hmj s LYS 2002Cb -0.13 -3.64 0.17 0.00 -0.52 0.00 0.00 37.83 33.71 3hmj s LYS 2002CO -0.07 -0.46 1.83 0.28 -0.92 0.00 0.00 175.35 176.01 3hmj h VAL 2003N 5.41 1.05 0.00 3.17 2.07 -1.98 -2.37 116.25 123.60 3hmj h VAL 2003Ca -0.25 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hmj h VAL 2003Cb 1.11 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hmj h VAL 2003CO 0.83 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 178.49 3hmj h ALA 2004N 1.29 1.08 0.00 1.67 0.00 -1.93 -0.04 119.26 121.34 3hmj h ALA 2004Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hmj h ALA 2004Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hmj h ALA 2004CO -0.12 0.07 -0.17 0.00 0.00 0.00 0.00 179.25 179.04 3hmj h ARG 2005N 0.00 0.00 0.00 0.00 2.47 -1.82 -3.33 114.38 111.70 3hmj h ARG 2005Ca -0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 3hmj h ARG 2005Cb 0.37 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.65 3hmj h ARG 2005CO 0.01 0.17 -1.81 1.28 0.56 0.00 0.00 179.97 180.17 3hmj n LEU 2006N -3.39 2.13 -4.55 3.04 4.77 -0.71 -4.73 117.00 113.57 3hmj n LEU 2006Ca -0.00 0.04 -0.52 0.00 -0.03 0.00 0.00 56.01 55.49 3hmj n LEU 2006Cb 0.37 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3hmj n LEU 2006CO 0.31 0.55 1.63 0.00 -1.33 0.00 0.00 177.39 178.55 3hmj n ALA 2007N -3.24 0.72 0.00 -1.18 0.00 -0.11 -1.16 120.51 115.54 3hmj n ALA 2007Ca -0.27 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hmj n ALA 2007Cb 0.74 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3hmj n ALA 2007CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmj n GLY 2008N 5.64 2.48 0.04 0.00 0.00 0.36 -4.78 105.19 108.94 3hmj n GLY 2008Ca 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 3hmj n GLY 2008CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hmj n LYS 2009N -2.00 2.27 -3.10 1.61 5.02 -0.31 -4.85 118.16 116.80 3hmj n LYS 2009Ca 0.00 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3hmj n LYS 2009Cb 0.00 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 3hmj n LYS 2009CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hmj s TYR 2010N -2.21 3.11 -0.53 2.13 5.04 -0.30 -0.51 117.35 124.07 3hmj s TYR 2010Ca -0.06 0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 54.59 3hmj s TYR 2010Cb 0.03 -3.26 0.10 0.00 0.35 0.00 0.00 41.96 39.18 3hmj s TYR 2010CO 0.34 -0.74 0.55 0.42 -1.34 0.00 0.00 175.55 174.78 3hmj s ILE 2011N 2.80 5.05 0.00 3.14 1.01 -0.58 -0.44 121.20 132.18 3hmj s ILE 2011Ca 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3hmj s ILE 2011Cb -0.14 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.00 3hmj s ILE 2011CO 0.17 -0.86 0.00 -2.65 0.00 0.00 0.00 174.94 171.60 3hmj n PRO 2012N 5.68 -1.50 -0.03 2.79 -0.02 -1.26 -4.38 135.00 136.29 3hmj n PRO 2012Ca -0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.33 3hmj n PRO 2012Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.86 3hmj n PRO 2012CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hmj n ASN 2013N -2.80 3.52 0.09 2.55 4.13 -1.26 -4.50 115.26 116.99 3hmj n ASN 2013Ca 0.00 -0.02 -0.04 0.00 1.68 0.00 0.00 54.58 56.20 3hmj n ASN 2013Cb 0.00 0.28 -0.02 0.00 -1.54 0.00 0.00 39.78 38.50 3hmj n ASN 2013CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hmj h LEU 2014N 0.00 -0.22-10.10 3.41 5.85 -1.99 -3.40 115.31 108.86 3hmj h LEU 2014Ca -0.16 0.01 -0.46 0.00 0.84 0.00 0.00 57.88 58.11 3hmj h LEU 2014Cb 1.30 0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.40 3hmj h LEU 2014CO -0.01 -0.15 0.36 -0.89 -0.34 0.00 0.00 178.44 177.42 3hmj s THR 2015N -3.54 4.14 -0.28 1.05 2.01 -1.26 -4.98 115.64 112.79 3hmj s THR 2015Ca -0.04 1.26 0.10 0.00 0.31 0.00 0.00 61.69 63.33 3hmj s THR 2015Cb 0.00 -3.54 0.53 0.00 0.01 0.00 0.00 72.50 69.50 3hmj s THR 2015CO 0.11 -0.36 1.50 0.00 -0.69 0.00 0.00 174.62 175.17 3hmj n ALA 2016N -1.01 4.09 -3.07 7.40 0.00 -1.26 -4.03 120.51 122.61 3hmj n ALA 2016Ca 0.08 -2.90 -0.31 0.00 0.00 0.00 0.00 53.44 50.31 3hmj n ALA 2016Cb 0.53 -0.80 -0.17 0.00 0.00 0.00 0.00 19.45 19.02 3hmj n ALA 2016CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hmj s LYS 2017N -3.14 2.70 -0.16 0.00 1.02 -1.26 -4.89 119.74 114.01 3hmj s LYS 2017Ca 0.45 -0.83 -0.39 0.00 0.02 0.00 0.00 55.97 55.22 3hmj s LYS 2017Cb 0.40 -2.13 -0.18 0.00 -0.52 0.00 0.00 37.83 35.39 3hmj s LYS 2017CO 0.03 0.23 1.15 -2.30 -0.92 0.00 0.00 175.35 173.55 3hmj n PRO 2018N 3.35 0.00 -1.69 -1.68 -0.02 -1.26 -4.48 135.00 129.22 3hmj n PRO 2018Ca -0.19 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 60.73 3hmj n PRO 2018Cb 0.53 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 3hmj n PRO 2018CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hmj n PHE 2019N 2.16 1.98 -3.85 6.00 7.35 0.41 -4.62 117.46 126.90 3hmj n PHE 2019Ca 0.22 0.53 -0.12 0.00 -0.76 0.00 0.00 57.45 57.31 3hmj n PHE 2019Cb 0.03 -2.45 -0.14 0.00 0.35 0.00 0.00 39.48 37.27 3hmj n PHE 2019CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3hmj s GLN 2020N 3.05 0.03 -1.16 -4.13 -1.52 -1.26 -0.49 119.66 114.19 3hmj s GLN 2020Ca 0.96 0.06 -0.07 0.00 -1.95 0.00 0.00 55.36 54.37 3hmj s GLN 2020Cb -1.03 -0.01 0.25 0.00 -0.22 0.00 0.00 33.01 32.00 3hmj s GLN 2020CO 0.62 -0.02 1.60 1.55 -0.25 0.00 0.00 175.29 178.78 3hmj n VAL 2021N 3.20 4.91 -4.27 1.09 3.14 -1.26 -4.72 118.33 120.43 3hmj n VAL 2021Ca -0.14 -5.32 -0.20 0.00 -2.96 0.00 0.00 64.34 55.72 3hmj n VAL 2021Cb 0.59 -2.22 -0.11 0.00 -1.06 0.00 0.00 33.84 31.03 3hmj n VAL 2021CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3hmj s THR 2022N -1.42 1.49 0.17 1.55 -1.32 -1.26 -5.04 115.64 109.81 3hmj s THR 2022Ca 0.34 -1.71 -0.17 0.00 -1.21 0.00 0.00 61.69 58.95 3hmj s THR 2022Cb 0.05 -1.57 0.09 0.00 -1.51 0.00 0.00 72.50 69.55 3hmj s THR 2022CO 0.06 -0.32 1.68 0.50 -2.21 0.00 0.00 174.62 174.32 3hmj h LYS 2023N 3.60 0.03 -0.81 7.08 3.64 -1.99 -0.83 116.57 127.29 3hmj h LYS 2023Ca -0.41 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 3hmj h LYS 2023Cb 1.20 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 3hmj h LYS 2023CO 0.48 0.02 -0.48 0.39 -2.27 0.00 0.00 179.45 177.59 3hmj n GLU 2024N -5.28 -0.36 0.15 1.90 1.02 -1.26 -2.00 120.64 114.81 3hmj n GLU 2024Ca 0.02 1.35 -0.14 0.00 -0.02 0.00 0.00 57.16 58.38 3hmj n GLU 2024Cb 0.22 -1.99 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 3hmj n GLU 2024CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hmj h TYR 2025N 0.00 -0.30 -1.02 -0.32 3.20 -1.55 -2.80 116.97 114.18 3hmj h TYR 2025Ca 0.13 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.24 3hmj h TYR 2025Cb 0.33 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.60 3hmj h TYR 2025CO -0.95 -0.14 0.63 0.74 -1.64 0.00 0.00 178.16 176.80 3hmj h PHE 2026N -0.39 0.84 0.26 -3.82 0.04 -0.89 -0.26 116.94 112.73 3hmj h PHE 2026Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3hmj h PHE 2026Cb 0.30 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3hmj h PHE 2026CO -0.04 0.08 -0.13 0.37 -0.60 0.00 0.00 178.31 178.00 3hmj h GLN 2027N 0.51 -0.34 -1.06 1.51 4.15 -1.14 -2.55 115.11 116.19 3hmj h GLN 2027Ca 0.61 0.02 0.28 0.00 0.77 0.00 0.00 58.65 60.33 3hmj h GLN 2027Cb 1.32 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 29.00 3hmj h GLN 2027CO -0.37 -0.07 0.68 0.22 -1.93 0.00 0.00 178.83 177.36 3hmj h ASP 2028N -0.59 0.41 -0.19 -0.69 3.58 -0.92 0.64 116.42 118.65 3hmj h ASP 2028Ca -0.04 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 3hmj h ASP 2028Cb 0.43 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hmj h ASP 2028CO 0.06 0.07 -0.14 0.58 -2.88 0.00 0.00 179.24 176.92 3hmj h VAL 2029N 0.36 1.32 -0.23 2.25 2.07 -1.15 -1.89 116.25 118.98 3hmj h VAL 2029Ca 0.60 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3hmj h VAL 2029Cb 1.60 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 3hmj h VAL 2029CO -0.29 0.38 -0.08 0.22 0.02 0.00 0.00 177.57 177.82 3hmj h TYR 2030N 0.10 -0.17 -0.78 1.57 3.20 -0.55 -1.62 116.97 118.71 3hmj h TYR 2030Ca 0.04 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.09 3hmj h TYR 2030Cb 0.66 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 3hmj h TYR 2030CO 0.07 -0.13 0.52 -0.44 -1.64 0.00 0.00 178.16 176.55 3hmj h ASP 2031N -0.03 0.39 0.08 -2.11 3.32 -0.89 1.75 116.42 118.92 3hmj h ASP 2031Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hmj h ASP 2031Cb 0.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3hmj h ASP 2031CO -0.25 0.19 -0.13 0.18 -1.72 0.00 0.00 179.24 177.51 3hmj n LEU 2032N -4.48 1.50 0.00 1.55 4.77 -0.73 -4.66 117.00 114.96 3hmj n LEU 2032Ca 0.15 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3hmj n LEU 2032Cb 0.56 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hmj n LEU 2032CO 0.33 0.26 0.00 1.07 -1.33 0.00 0.00 177.39 177.72 3hmj n THR 2033N -0.04 0.00 -2.57 -5.08 5.66 0.18 -5.08 114.28 107.34 3hmj n THR 2033Ca 0.15 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3hmj n THR 2033Cb 0.38 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.16 3hmj n THR 2033CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hmj n GLY 2034N 0.18 -4.18 2.95 1.09 0.00 0.57 -5.03 105.19 100.77 3hmj n GLY 2034Ca 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 3hmj n GLY 2034CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hmj s SER 2035N -1.43 0.95 0.09 1.61 0.15 -1.26 -5.06 113.70 108.74 3hmj s SER 2035Ca -0.00 -0.14 -0.35 0.00 0.70 0.00 0.00 55.95 56.16 3hmj s SER 2035Cb 0.00 -0.30 -0.15 0.00 -1.71 0.00 0.00 66.02 63.86 3hmj s SER 2035CO 0.70 0.02 1.57 -0.33 1.20 0.00 0.00 173.24 176.40 3hmj h GLU 2036N 6.57 -0.87 -0.95 5.44 5.08 -1.99 -0.48 114.58 127.38 3hmj h GLU 2036Ca -0.34 0.06 0.26 0.00 -1.00 0.00 0.00 59.36 58.34 3hmj h GLU 2036Cb 1.17 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 3hmj h GLU 2036CO 0.49 -0.58 0.46 -1.35 -1.00 0.00 0.00 179.01 177.03 3hmj h PRO 2037N -0.90 0.37 0.33 2.33 0.11 -2.01 -1.16 132.00 131.07 3hmj h PRO 2037Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3hmj h PRO 2037Cb 0.82 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3hmj h PRO 2037CO -0.13 0.25 -0.16 0.82 -0.21 0.00 0.00 178.00 178.57 3hmj h ILE 2038N 0.38 0.58 -0.85 4.15 2.04 -1.89 -3.24 117.51 118.68 3hmj h ILE 2038Ca 0.63 -0.69 0.19 0.00 1.00 0.00 0.00 64.86 65.99 3hmj h ILE 2038Cb 1.29 0.88 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 3hmj h ILE 2038CO -0.56 0.11 0.35 0.07 0.00 0.00 0.00 178.15 178.12 3hmj h LYS 2039N -0.88 0.40 -0.43 2.37 2.10 0.18 0.31 116.57 120.62 3hmj h LYS 2039Ca -0.05 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 3hmj h LYS 2039Cb 0.53 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 3hmj h LYS 2039CO 0.07 0.26 0.24 1.05 -2.00 0.00 0.00 179.45 179.08 3hmj h GLU 2040N 0.41 0.60 -0.55 0.07 4.11 -1.60 -1.24 114.58 116.39 3hmj h GLU 2040Ca 0.51 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.87 3hmj h GLU 2040Cb 0.90 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3hmj h GLU 2040CO -0.49 0.47 0.36 0.82 0.07 0.00 0.00 179.01 180.24 3hmj h ILE 2041N 0.57 1.14 -0.46 -1.06 2.04 -0.46 0.16 117.51 119.44 3hmj h ILE 2041Ca 0.15 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3hmj h ILE 2041Cb 0.04 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3hmj h ILE 2041CO -0.03 0.14 0.20 0.40 0.00 0.00 0.00 178.15 178.86 3hmj h ILE 2042N 0.74 1.20 -0.76 -0.67 1.08 -1.11 -2.65 117.51 115.34 3hmj h ILE 2042Ca 0.20 -0.59 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 3hmj h ILE 2042Cb -0.08 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3hmj h ILE 2042CO -0.04 0.22 0.28 0.44 -0.69 0.00 0.00 178.15 178.36 3hmj h ASP 2043N 0.60 1.07 -2.22 1.72 3.32 -0.56 -3.23 116.42 117.12 3hmj h ASP 2043Ca 0.15 -0.18 -0.58 0.00 0.02 0.00 0.00 57.03 56.44 3hmj h ASP 2043Cb 0.16 -0.28 -0.42 0.00 0.22 0.00 0.00 39.33 39.02 3hmj h ASP 2043CO -0.02 0.96 -0.69 -0.46 -1.72 0.00 0.00 179.24 177.32 3hmj n ASN 2044N -4.27 3.76 0.29 6.45 0.23 -0.02 -4.89 115.26 116.81 3hmj n ASN 2044Ca 0.07 -3.50 0.16 0.00 -0.53 0.00 0.00 54.58 50.77 3hmj n ASN 2044Cb 0.20 -0.61 0.86 0.00 -2.08 0.00 0.00 39.78 38.15 3hmj n ASN 2044CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hmj h TRP 2045N 3.46 0.00 0.00 -2.53 2.91 -1.49 -3.13 115.95 115.17 3hmj h TRP 2045Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3hmj h TRP 2045Cb 0.61 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 3hmj h TRP 2045CO 0.75 0.06 0.00 0.39 -1.03 0.00 0.00 178.44 178.61 3hmj n GLU 2046N -3.44 0.87 0.00 2.65 -0.58 -1.26 -3.38 120.64 115.50 3hmj n GLU 2046Ca -0.02 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.73 3hmj n GLU 2046Cb 0.19 -1.34 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 3hmj n GLU 2046CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3hmj n LYS 2047N 0.19 0.30 -0.24 3.49 2.85 -1.19 -4.31 118.16 119.26 3hmj n LYS 2047Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 3hmj n LYS 2047Cb 0.27 -1.09 -0.06 0.00 -0.65 0.00 0.00 35.03 33.51 3hmj n LYS 2047CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hmj n TYR 2048N -0.59 -0.25 -2.66 5.58 4.02 -1.22 -4.25 117.16 117.79 3hmj n TYR 2048Ca 0.01 0.71 -0.43 0.00 -0.01 0.00 0.00 57.90 58.19 3hmj n TYR 2048Cb 0.01 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 38.78 3hmj n TYR 2048CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3hmj s GLU 2049N -5.03 3.71 0.00 -0.72 2.56 -1.26 -5.27 118.70 112.70 3hmj s GLU 2049Ca -0.07 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.42 3hmj s GLU 2049Cb 0.06 -3.89 0.00 0.00 2.00 0.00 0.00 34.13 32.30 3hmj s GLU 2049CO 0.35 -1.29 0.00 0.00 -0.56 0.00 0.00 175.26 173.76