#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtj n GLU 21 N 0.00 0.00 -0.07 -0.67 0.28 -1.26 -4.53 120.64 114.39 3gtj n GLU 21 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 3gtj n GLU 21 Cb 0.00 -2.97 -0.02 0.00 1.43 0.00 0.00 31.44 29.88 3gtj n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3gtj n SER 22 N 0.00 1.60 -3.56 -1.84 7.64 -1.26 -3.53 113.62 112.67 3gtj n SER 22 Ca 0.00 0.37 -0.38 0.00 1.01 0.00 0.00 58.87 59.87 3gtj n SER 22 Cb 0.00 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 3gtj n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtj n ALA 23 N -3.93 -2.56 -1.91 -0.43 0.00 -1.26 -4.34 120.51 106.07 3gtj n ALA 23 Ca -0.10 0.30 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 3gtj n ALA 23 Cb 0.37 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.63 3gtj n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gtj s PRO 24 N -0.81 1.91 0.44 0.00 0.04 -1.26 -0.51 135.00 134.80 3gtj s PRO 24 Ca 0.51 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.25 3gtj s PRO 24 Cb -0.71 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 3gtj s PRO 24 CO 0.47 -1.57 1.39 -0.89 0.04 0.00 0.00 177.00 176.45 3gtj n ILE 25 N -3.24 2.71 -1.20 0.56 5.41 -1.22 -4.47 119.36 117.91 3gtj n ILE 25 Ca 0.09 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3gtj n ILE 25 Cb 0.61 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3gtj n ILE 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3gtj n THR 26 N -0.19 0.00 0.00 1.39 -2.24 -1.26 -4.51 114.28 107.47 3gtj n THR 26 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3gtj n THR 26 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3gtj n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtj n ALA 27 N -3.00 -0.27 -0.14 6.98 0.00 -1.26 -3.03 120.51 119.79 3gtj n ALA 27 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gtj n ALA 27 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 3gtj n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gtj h GLU 28 N 0.00 0.79 -1.01 0.00 4.39 -2.03 -3.18 114.58 113.55 3gtj h GLU 28 Ca 0.00 -0.31 0.26 0.00 0.34 0.00 0.00 59.36 59.65 3gtj h GLU 28 Cb 0.00 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.53 3gtj h GLU 28 CO 0.00 0.92 0.67 -0.44 -1.16 0.00 0.00 179.01 179.01 3gtj h ASP 29 N 0.61 0.31 -0.44 1.42 3.32 -1.96 0.38 116.42 120.06 3gtj h ASP 29 Ca 0.10 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.33 3gtj h ASP 29 Cb 0.63 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3gtj h ASP 29 CO 0.04 0.08 0.50 0.77 -1.72 0.00 0.00 179.24 178.92 3gtj h SER 30 N 0.29 0.00 0.00 6.45 4.64 -1.51 -2.41 113.55 121.01 3gtj h SER 30 Ca 0.54 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 3gtj h SER 30 Cb 1.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3gtj h SER 30 CO -0.18 0.00 -0.04 -0.50 -0.87 0.00 0.00 176.83 175.24 3gtj h TRP 31 N 0.00 0.00 -0.91 4.77 4.06 -0.44 -3.33 115.95 120.10 3gtj h TRP 31 Ca 0.21 0.00 0.33 0.00 2.06 0.00 0.00 58.89 61.49 3gtj h TRP 31 Cb 1.21 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.21 3gtj h TRP 31 CO 0.00 0.83 0.31 0.00 -3.56 0.00 0.00 178.44 176.02 3gtj n ALA 32 N -2.67 0.75 0.04 1.49 0.00 -0.91 0.20 120.51 119.41 3gtj n ALA 32 Ca -0.09 0.95 -0.10 0.00 0.00 0.00 0.00 53.44 54.20 3gtj n ALA 32 Cb 0.40 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 3gtj n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtj h VAL 33 N 0.00 0.62 0.08 0.00 2.07 -1.68 -2.62 116.25 114.72 3gtj h VAL 33 Ca 0.69 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.22 3gtj h VAL 33 Cb 1.69 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3gtj h VAL 33 CO -0.76 0.00 -0.40 0.40 0.02 0.00 0.00 177.57 176.83 3gtj h ILE 34 N -0.23 0.00 -1.01 4.57 2.04 0.22 -0.82 117.51 122.28 3gtj h ILE 34 Ca 0.06 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.16 3gtj h ILE 34 Cb 0.31 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 3gtj h ILE 34 CO -0.17 0.00 0.61 0.77 0.00 0.00 0.00 178.15 179.36 3gtj h SER 35 N -0.57 0.65 1.24 1.72 4.64 -1.39 1.53 113.55 121.37 3gtj h SER 35 Ca -0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gtj h SER 35 Cb 0.57 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3gtj h SER 35 CO -0.22 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3gtj h ALA 36 N 1.69 1.00 -0.14 5.18 0.00 -0.93 0.10 119.26 126.17 3gtj h ALA 36 Ca 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.44 3gtj h ALA 36 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gtj h ALA 36 CO -0.41 0.00 -0.25 0.35 0.00 0.00 0.00 179.25 178.93 3gtj h PHE 37 N 0.00 0.52 0.00 0.00 3.04 0.36 -3.28 116.94 117.58 3gtj h PHE 37 Ca 0.00 -0.19 -0.11 0.00 3.98 0.00 0.00 57.97 61.66 3gtj h PHE 37 Cb 0.62 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 3gtj h PHE 37 CO 0.00 0.88 -0.50 0.74 -2.02 0.00 0.00 178.31 177.40 3gtj h PHE 38 N 0.02 0.00 -0.03 0.41 -1.00 -1.13 -2.94 116.94 112.28 3gtj h PHE 38 Ca 0.01 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3gtj h PHE 38 Cb 0.84 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 3gtj h PHE 38 CO 0.10 0.50 0.18 0.00 -1.61 0.00 0.00 178.31 177.48 3gtj h ARG 39 N 0.00 0.00 0.00 1.51 2.47 -0.85 -2.17 114.38 115.34 3gtj h ARG 39 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3gtj h ARG 39 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 3gtj h ARG 39 CO 0.07 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.99 3gtj n GLU 40 N -3.12 0.00 0.18 0.04 1.02 -1.12 -4.76 120.64 112.88 3gtj n GLU 40 Ca -0.02 0.01 0.14 0.00 -0.02 0.00 0.00 57.16 57.27 3gtj n GLU 40 Cb 0.25 -0.26 0.58 0.00 -0.02 0.00 0.00 31.44 31.98 3gtj n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3gtj h LYS 41 N 0.00 0.00 0.00 3.49 1.57 -1.65 -3.48 116.57 116.51 3gtj h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gtj h LYS 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gtj h LYS 41 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3gtj n GLY 42 N -0.07 2.96 0.00 3.86 0.00 -0.82 -3.37 105.19 107.76 3gtj n GLY 42 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3gtj n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 43 N 0.00 0.00 -0.55 0.99 4.77 -1.26 -4.79 117.00 116.16 3gtj n LEU 43 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3gtj n LEU 43 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3gtj n LEU 43 CO 0.00 0.00 0.34 1.33 -1.33 0.00 0.00 177.39 177.73 3gtj n VAL 44 N 0.00 1.00 -0.20 4.08 0.24 -1.25 -4.92 118.33 117.28 3gtj n VAL 44 Ca 0.00 -1.47 0.01 0.00 -2.04 0.00 0.00 64.34 60.84 3gtj n VAL 44 Cb 0.12 0.22 0.10 0.00 -1.47 0.00 0.00 33.84 32.81 3gtj n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3gtj h SER 45 N 0.34 -0.19 -0.58 -1.34 4.64 -1.89 0.43 113.55 114.95 3gtj h SER 45 Ca -0.04 0.14 0.12 0.00 -0.47 0.00 0.00 61.79 61.54 3gtj h SER 45 Cb 1.29 0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 63.50 3gtj h SER 45 CO 0.02 -0.08 -0.10 0.06 -0.87 0.00 0.00 176.83 175.85 3gtj h GLN 46 N 0.15 0.03 0.27 4.77 -0.00 -1.90 0.41 115.11 118.84 3gtj h GLN 46 Ca 0.32 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.95 3gtj h GLN 46 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 3gtj h GLN 46 CO -0.49 0.02 -0.13 1.96 -0.00 0.00 0.00 178.83 180.19 3gtj h GLN 47 N 0.03 -0.35 0.26 0.06 1.08 -0.58 -2.40 115.11 113.21 3gtj h GLN 47 Ca 0.29 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 3gtj h GLN 47 Cb 0.45 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3gtj h GLN 47 CO -0.57 -0.21 -0.16 -0.07 -0.95 0.00 0.00 178.83 176.87 3gtj h LEU 48 N -0.40 -0.40 -0.94 1.46 3.38 -0.58 -3.03 115.31 114.80 3gtj h LEU 48 Ca -0.04 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.24 3gtj h LEU 48 Cb 0.31 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.01 3gtj h LEU 48 CO 0.06 -0.24 0.23 0.44 0.09 0.00 0.00 178.44 179.02 3gtj h ASP 49 N -0.39 -0.09 -0.62 -0.43 3.45 -0.28 0.16 116.42 118.22 3gtj h ASP 49 Ca -0.04 0.24 0.02 0.00 0.43 0.00 0.00 57.03 57.68 3gtj h ASP 49 Cb 0.31 0.34 -0.04 0.00 -0.56 0.00 0.00 39.33 39.38 3gtj h ASP 49 CO 0.04 -0.27 0.39 -1.28 -1.57 0.00 0.00 179.24 176.54 3gtj h SER 50 N 0.11 0.65 -0.15 6.45 0.87 -1.45 -1.02 113.55 119.00 3gtj h SER 50 Ca 0.63 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.17 3gtj h SER 50 Cb 1.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 3gtj h SER 50 CO -0.76 0.46 0.04 0.15 -0.53 0.00 0.00 176.83 176.18 3gtj h PHE 51 N 0.78 0.25 -0.82 2.24 3.57 -0.61 -2.66 116.94 119.69 3gtj h PHE 51 Ca 0.24 -0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.86 3gtj h PHE 51 Cb -0.02 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.55 3gtj h PHE 51 CO -0.04 0.38 0.39 -0.91 -2.23 0.00 0.00 178.31 175.90 3gtj h ASN 52 N 0.05 0.45 -0.81 0.41 2.35 -1.01 -0.34 115.58 116.67 3gtj h ASN 52 Ca 0.05 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3gtj h ASN 52 Cb 0.26 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3gtj h ASN 52 CO 0.00 0.18 0.35 -0.61 -1.65 0.00 0.00 177.43 175.70 3gtj h GLN 53 N 0.56 1.20 -0.84 0.81 5.75 -1.15 -1.07 115.11 120.38 3gtj h GLN 53 Ca 0.45 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3gtj h GLN 53 Cb 0.65 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 3gtj h GLN 53 CO -0.38 0.95 0.55 0.35 -2.65 0.00 0.00 178.83 177.66 3gtj h PHE 54 N 1.17 1.05 0.00 3.99 3.57 -0.72 -2.87 116.94 123.13 3gtj h PHE 54 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3gtj h PHE 54 Cb 0.18 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3gtj h PHE 54 CO 0.02 0.67 -0.04 0.28 -2.23 0.00 0.00 178.31 177.01 3gtj h VAL 55 N 1.14 0.00 -0.54 1.41 2.07 -1.04 0.23 116.25 119.51 3gtj h VAL 55 Ca 0.31 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 67.07 3gtj h VAL 55 Cb -0.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.61 3gtj h VAL 55 CO -0.07 0.00 0.37 0.44 0.02 0.00 0.00 177.57 178.34 3gtj h ASP 56 N -0.87 0.20 0.00 0.57 3.32 -1.30 -3.38 116.42 114.96 3gtj h ASP 56 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gtj h ASP 56 Cb 0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gtj h ASP 56 CO 0.00 0.12 0.00 -1.22 -1.72 0.00 0.00 179.24 176.42 3gtj n TYR 57 N -4.44 0.00 -0.23 4.55 4.02 -1.10 -4.86 117.16 115.09 3gtj n TYR 57 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3gtj n TYR 57 Cb 0.46 0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 3gtj n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3gtj n THR 58 N -1.14 -0.36 -0.32 -0.72 -1.04 -1.14 0.57 114.28 110.13 3gtj n THR 58 Ca 0.00 1.36 0.19 0.00 -2.04 0.00 0.00 64.05 63.56 3gtj n THR 58 Cb 0.00 -1.71 0.39 0.00 -1.82 0.00 0.00 70.33 67.19 3gtj n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gtj h LEU 59 N 0.00 0.11 0.20 -4.42 5.85 -0.72 0.28 115.31 116.62 3gtj h LEU 59 Ca 0.12 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3gtj h LEU 59 Cb 0.26 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3gtj h LEU 59 CO -0.54 -0.23 -0.10 -0.61 -0.34 0.00 0.00 178.44 176.62 3gtj h GLN 60 N 0.17 -0.26 -0.31 1.25 5.75 -0.10 -2.58 115.11 119.03 3gtj h GLN 60 Ca 0.66 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.17 3gtj h GLN 60 Cb 1.47 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 30.07 3gtj h GLN 60 CO -0.71 -0.05 0.18 -0.44 -2.65 0.00 0.00 178.83 175.16 3gtj h ASP 61 N -0.44 0.38 -0.96 -0.69 3.32 -0.93 0.59 116.42 117.68 3gtj h ASP 61 Ca -0.03 -0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.12 3gtj h ASP 61 Cb 0.33 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 3gtj h ASP 61 CO 0.05 0.33 0.61 0.40 -1.72 0.00 0.00 179.24 178.91 3gtj h ILE 62 N 0.39 0.78 -0.04 0.35 1.08 -1.32 0.25 117.51 119.00 3gtj h ILE 62 Ca 0.11 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.23 3gtj h ILE 62 Cb 0.04 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.75 3gtj h ILE 62 CO -0.02 0.14 -0.42 -0.29 -0.69 0.00 0.00 178.15 176.86 3gtj h ILE 63 N 0.74 1.31 -0.44 -0.67 6.09 -0.52 -3.44 117.51 120.58 3gtj h ILE 63 Ca 0.51 -1.50 0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3gtj h ILE 63 Cb 0.81 1.76 0.00 0.00 0.47 0.00 0.00 36.82 39.85 3gtj h ILE 63 CO -0.28 0.44 0.00 0.00 -3.07 0.00 0.00 178.15 175.24 3gtj n GLU 65 N 0.00 0.00 -1.53 0.00 2.13 -1.25 -4.01 120.64 115.99 3gtj n GLU 65 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 3gtj n GLU 65 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.78 3gtj n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3gtj n ASP 66 N 4.49 7.57 0.02 4.31 5.68 -1.26 -4.58 116.55 132.78 3gtj n ASP 66 Ca 0.00 -3.80 -0.16 0.00 -0.50 0.00 0.00 54.79 50.32 3gtj n ASP 66 Cb 0.00 -0.99 -0.06 0.00 -1.14 0.00 0.00 41.12 38.93 3gtj n ASP 66 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gtj h SER 67 N 2.30 0.80 -0.84 -1.12 4.64 -1.86 -3.46 113.55 114.01 3gtj h SER 67 Ca 0.59 -0.58 -0.59 0.00 -0.47 0.00 0.00 61.79 60.75 3gtj h SER 67 Cb 0.60 -0.24 0.08 0.00 -0.31 0.00 0.00 62.40 62.53 3gtj h SER 67 CO 1.53 1.37 -0.34 1.07 -0.87 0.00 0.00 176.83 179.59 3gtj n THR 68 N -3.87 1.32 -3.80 2.95 5.66 -1.26 -4.85 114.28 110.43 3gtj n THR 68 Ca -0.08 -0.33 -0.33 0.00 -3.05 0.00 0.00 64.05 60.26 3gtj n THR 68 Cb 0.80 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.53 3gtj n THR 68 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3gtj s LEU 69 N 1.98 4.36 0.00 1.09 0.20 -1.26 -4.91 118.68 120.13 3gtj s LEU 69 Ca 0.59 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.90 3gtj s LEU 69 Cb -0.85 -2.78 0.00 0.00 -0.43 0.00 0.00 46.19 42.13 3gtj s LEU 69 CO 0.47 0.22 0.88 -0.38 -0.29 0.00 0.00 176.35 177.25 3gtj n ILE 70 N 0.85 0.00 -0.07 6.68 5.41 -1.26 -4.13 119.36 126.84 3gtj n ILE 70 Ca -0.09 1.38 -0.08 0.00 1.00 0.00 0.00 62.75 64.96 3gtj n ILE 70 Cb 0.52 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.40 3gtj n ILE 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3gtj n LEU 71 N -2.27 1.78 -3.64 1.39 7.94 -1.26 -4.14 117.00 116.80 3gtj n LEU 71 Ca 0.00 0.30 -0.07 0.00 -1.11 0.00 0.00 56.01 55.13 3gtj n LEU 71 Cb 0.00 -0.68 -0.07 0.00 0.53 0.00 0.00 43.42 43.20 3gtj n LEU 71 CO 0.00 -0.34 0.84 -0.70 -1.11 0.00 0.00 177.39 176.08 3gtj s GLU 72 N -2.74 0.38 -0.16 1.96 -6.30 -1.24 -5.06 118.70 105.53 3gtj s GLU 72 Ca -0.24 0.47 -0.15 0.00 -2.50 0.00 0.00 54.97 52.55 3gtj s GLU 72 Cb 0.03 0.17 -0.11 0.00 0.00 0.00 0.00 34.13 34.23 3gtj s GLU 72 CO 0.36 -0.05 0.08 1.96 0.02 0.00 0.00 175.26 177.63 3gtj h GLN 73 N 4.18 0.00 -5.82 4.30 7.50 -1.91 -3.32 115.11 120.04 3gtj h GLN 73 Ca -0.28 0.00 -0.41 0.00 0.50 0.00 0.00 58.65 58.46 3gtj h GLN 73 Cb 1.18 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.47 3gtj h GLN 73 CO 0.14 0.47 -0.60 1.47 -1.50 0.00 0.00 178.83 178.80 3gtj n LEU 74 N -4.57 -0.55 -4.83 1.46 -0.00 -1.26 -2.83 117.00 104.42 3gtj n LEU 74 Ca -0.16 -0.82 -0.33 0.00 -0.00 0.00 0.00 56.01 54.70 3gtj n LEU 74 Cb 0.41 -1.05 -0.06 0.00 -0.00 0.00 0.00 43.42 42.72 3gtj n LEU 74 CO 0.15 0.09 0.56 0.00 -0.00 0.00 0.00 177.39 178.18 3gtj s ALA 75 N -2.61 3.16 0.07 1.47 0.00 -1.26 -4.81 121.76 117.79 3gtj s ALA 75 Ca 0.50 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3gtj s ALA 75 Cb -0.29 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3gtj s ALA 75 CO 0.67 0.18 0.00 1.04 0.00 0.00 0.00 175.76 177.65 3gtj n GLN 76 N -0.62 -0.64 -0.76 0.00 6.02 -1.13 -5.00 117.38 115.26 3gtj n GLN 76 Ca 0.06 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.55 3gtj n GLN 76 Cb 0.54 -0.78 -0.05 0.00 1.02 0.00 0.00 30.24 30.97 3gtj n GLN 76 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gtj n HIS 77 N -1.82 -2.04 -0.68 1.08 8.25 -1.24 -4.80 115.22 113.99 3gtj n HIS 77 Ca 0.00 1.13 0.00 0.00 -0.26 0.00 0.00 57.72 58.59 3gtj n HIS 77 Cb 0.14 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.39 3gtj n HIS 77 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3gtj n THR 78 N -3.12 0.00 -0.98 1.59 5.66 -1.26 -4.02 114.28 112.16 3gtj n THR 78 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 3gtj n THR 78 Cb 0.35 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 3gtj n THR 78 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3gtj n THR 79 N 0.00 -3.86 1.62 1.09 -1.04 -1.26 -5.07 114.28 105.77 3gtj n THR 79 Ca 0.00 1.38 0.09 0.00 -2.04 0.00 0.00 64.05 63.47 3gtj n THR 79 Cb 0.10 -2.40 0.52 0.00 -1.82 0.00 0.00 70.33 66.72 3gtj n THR 79 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3gtj n GLU 80 N 0.11 0.81 -1.79 -2.82 -0.00 -1.26 -4.47 120.64 111.22 3gtj n GLU 80 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.74 3gtj n GLU 80 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 31.44 30.11 3gtj n GLU 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3gtj n SER 81 N -0.83 3.96 -1.43 -1.84 3.41 -1.26 -4.75 113.62 110.88 3gtj n SER 81 Ca 0.13 -2.85 -0.08 0.00 -0.26 0.00 0.00 58.87 55.81 3gtj n SER 81 Cb 0.06 -1.66 0.05 0.00 -0.26 0.00 0.00 64.21 62.40 3gtj n SER 81 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gtj n ASP 82 N 6.13 3.65 -4.77 4.04 5.68 -1.26 -3.61 116.55 126.41 3gtj n ASP 82 Ca 0.51 -2.54 -0.38 0.00 -0.50 0.00 0.00 54.79 51.88 3gtj n ASP 82 Cb 0.39 -0.68 -0.06 0.00 -1.14 0.00 0.00 41.12 39.64 3gtj n ASP 82 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gtj s ASN 83 N 0.38 6.88 1.02 -1.12 4.22 -1.26 -4.57 114.94 120.49 3gtj s ASN 83 Ca 0.18 1.05 -0.04 0.00 -2.14 0.00 0.00 52.86 51.90 3gtj s ASN 83 Cb 0.15 -2.33 0.06 0.00 1.28 0.00 0.00 41.25 40.41 3gtj s ASN 83 CO 0.03 0.12 0.31 2.30 -2.04 0.00 0.00 177.10 177.82 3gtj n ILE 84 N 2.76 0.00 -2.05 0.54 -6.64 -1.26 -2.82 119.36 109.88 3gtj n ILE 84 Ca -0.08 -0.21 -0.02 0.00 -1.77 0.00 0.00 62.75 60.67 3gtj n ILE 84 Cb 0.51 -1.67 0.00 0.00 -1.44 0.00 0.00 39.64 37.05 3gtj n ILE 84 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3gtj n SER 85 N -3.27 -4.57 -2.63 7.28 7.64 -1.26 -4.95 113.62 111.86 3gtj n SER 85 Ca 0.04 0.40 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 3gtj n SER 85 Cb 0.14 -2.88 0.06 0.00 -1.01 0.00 0.00 64.21 60.52 3gtj n SER 85 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gtj n ARG 86 N -0.11 -4.93 -3.01 1.43 0.63 -1.13 -5.00 116.66 104.55 3gtj n ARG 86 Ca 0.03 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 57.12 3gtj n ARG 86 Cb 0.11 -4.80 -0.05 0.00 0.45 0.00 0.00 32.46 28.17 3gtj n ARG 86 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3gtj s LYS 87 N -5.36 4.22 -0.18 -0.14 0.00 -1.25 -4.92 119.74 112.11 3gtj s LYS 87 Ca 0.18 0.79 0.20 0.00 0.00 0.00 0.00 55.97 57.13 3gtj s LYS 87 Cb -0.08 -3.60 0.46 0.00 0.00 0.00 0.00 37.83 34.62 3gtj s LYS 87 CO 0.50 -0.34 1.16 2.48 0.00 0.00 0.00 175.35 179.14 3gtj n TYR 88 N 5.38 0.94 -3.69 1.78 4.11 -1.26 -3.70 117.16 120.72 3gtj n TYR 88 Ca 0.02 -1.55 -0.12 0.00 -0.00 0.00 0.00 57.90 56.24 3gtj n TYR 88 Cb 0.49 -0.23 -0.09 0.00 -0.00 0.00 0.00 39.34 39.51 3gtj n TYR 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 3gtj s GLU 89 N -2.50 0.57 0.20 -3.48 1.03 -1.26 -4.00 118.70 109.26 3gtj s GLU 89 Ca 0.35 0.79 0.00 0.00 0.03 0.00 0.00 54.97 56.13 3gtj s GLU 89 Cb 0.36 0.21 0.00 0.00 -0.80 0.00 0.00 34.13 33.90 3gtj s GLU 89 CO -0.07 -0.10 0.00 1.51 -1.33 0.00 0.00 175.26 175.27 3gtj n ILE 90 N 3.29 0.00 -1.60 1.83 3.06 -1.26 -4.89 119.36 119.80 3gtj n ILE 90 Ca -0.16 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.22 3gtj n ILE 90 Cb 0.56 -0.45 -0.03 0.00 0.54 0.00 0.00 39.64 40.26 3gtj n ILE 90 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3gtj n SER 91 N -3.12 -6.52 -3.34 9.51 3.41 -1.26 -2.14 113.62 110.16 3gtj n SER 91 Ca 0.00 1.05 -0.09 0.00 -0.26 0.00 0.00 58.87 59.57 3gtj n SER 91 Cb 0.00 -3.03 -0.08 0.00 -0.26 0.00 0.00 64.21 60.84 3gtj n SER 91 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3gtj s PHE 92 N -1.66 -0.86 0.00 7.33 0.40 -1.26 -4.28 117.98 117.65 3gtj s PHE 92 Ca 0.00 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 3gtj s PHE 92 Cb 0.00 0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.54 3gtj s PHE 92 CO 0.00 -0.75 0.00 0.41 0.70 0.00 0.00 175.22 175.58 3gtj n GLY 93 N 5.36 -1.18 3.78 4.36 0.00 -0.81 -4.79 105.19 111.92 3gtj n GLY 93 Ca -0.03 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3gtj n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtj s LYS 94 N 0.00 4.13 -0.19 1.61 2.20 -1.26 -4.65 119.74 121.57 3gtj s LYS 94 Ca 0.00 1.56 -0.03 0.00 -0.36 0.00 0.00 55.97 57.14 3gtj s LYS 94 Cb 0.00 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 3gtj s LYS 94 CO 0.00 -0.18 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.26 3gtj s ILE 95 N -1.62 3.48 -0.05 5.43 2.07 -1.26 -3.50 121.20 125.74 3gtj s ILE 95 Ca 0.58 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 59.34 3gtj s ILE 95 Cb -0.23 -2.56 -0.03 0.00 0.13 0.00 0.00 42.46 39.77 3gtj s ILE 95 CO 0.29 0.45 0.00 -0.31 -1.91 0.00 0.00 174.94 173.46 3gtj s TYR 96 N 1.08 3.13 -0.15 3.50 4.12 0.17 -4.94 117.35 124.25 3gtj s TYR 96 Ca 0.01 0.15 0.02 0.00 0.02 0.00 0.00 57.07 57.27 3gtj s TYR 96 Cb -0.15 -1.74 0.01 0.00 -1.52 0.00 0.00 41.96 38.56 3gtj s TYR 96 CO -0.00 0.46 -0.19 0.08 0.02 0.00 0.00 175.55 175.92 3gtj s VAL 97 N -0.96 2.26 0.80 0.71 1.01 -1.26 -0.57 120.40 122.38 3gtj s VAL 97 Ca 0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 3gtj s VAL 97 Cb -0.11 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3gtj s VAL 97 CO 0.05 0.54 1.12 -0.89 0.00 0.00 0.00 175.10 175.92 3gtj s THR 98 N 0.91 2.80 0.37 3.92 2.01 -0.79 -4.93 115.64 119.93 3gtj s THR 98 Ca -0.04 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 3gtj s THR 98 Cb -0.15 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3gtj s THR 98 CO -0.03 -0.34 0.97 -0.54 -0.69 0.00 0.00 174.62 173.99 3gtj s LYS 99 N -5.31 4.39 0.13 4.92 -0.14 -1.26 -4.35 119.74 118.12 3gtj s LYS 99 Ca 0.61 1.30 -0.34 0.00 -1.36 0.00 0.00 55.97 56.18 3gtj s LYS 99 Cb -0.13 -2.56 -0.16 0.00 -1.68 0.00 0.00 37.83 33.30 3gtj s LYS 99 CO 0.52 0.10 1.21 -2.30 -0.76 0.00 0.00 175.35 174.12 3gtj n PRO 100 N 0.06 1.07 -4.15 -1.68 -0.02 -1.26 -4.71 135.00 124.31 3gtj n PRO 100 Ca 0.04 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3gtj n PRO 100 Cb 0.51 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3gtj n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtj s MET 101 N -0.06 1.43 -0.28 -0.52 -1.94 -1.04 -3.19 119.30 113.70 3gtj s MET 101 Ca 0.78 -1.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 3gtj s MET 101 Cb -0.91 0.34 0.17 0.00 2.01 0.00 0.00 34.83 36.44 3gtj s MET 101 CO 0.51 -0.53 0.50 0.54 -0.01 0.00 0.00 175.02 176.03 3gtj s VAL 102 N -3.91 -0.82 -0.32 -6.03 0.11 -0.79 -4.60 120.40 104.04 3gtj s VAL 102 Ca 0.34 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 3gtj s VAL 102 Cb 0.04 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 3gtj s VAL 102 CO 0.14 -0.11 1.59 0.21 -3.33 0.00 0.00 175.10 173.60 3gtj s ASN 103 N 2.70 6.24 -0.07 3.54 2.47 -1.26 -3.66 114.94 124.90 3gtj s ASN 103 Ca 0.13 1.25 -0.22 0.00 0.42 0.00 0.00 52.86 54.43 3gtj s ASN 103 Cb -0.13 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 3gtj s ASN 103 CO -0.24 -1.44 0.66 -0.70 -3.72 0.00 0.00 177.10 171.66 3gtj s GLU 104 N 5.01 4.42 0.05 0.43 2.12 -1.21 -4.99 118.70 124.52 3gtj s GLU 104 Ca 0.70 0.80 -0.37 0.00 0.36 0.00 0.00 54.97 56.46 3gtj s GLU 104 Cb -0.20 -3.44 -0.19 0.00 0.26 0.00 0.00 34.13 30.56 3gtj s GLU 104 CO 0.31 0.10 0.99 -1.13 -0.54 0.00 0.00 175.26 174.99 3gtj n SER 105 N 3.69 -0.08 -3.91 -1.70 3.41 -1.18 -0.73 113.62 113.12 3gtj n SER 105 Ca -0.03 1.15 -0.30 0.00 -0.26 0.00 0.00 58.87 59.44 3gtj n SER 105 Cb 0.51 -0.95 0.03 0.00 -0.26 0.00 0.00 64.21 63.54 3gtj n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtj n ASP 106 N 1.66 -4.73 -1.73 4.04 2.03 -1.26 -4.92 116.55 111.64 3gtj n ASP 106 Ca 0.19 -0.78 -0.05 0.00 0.52 0.00 0.00 54.79 54.68 3gtj n ASP 106 Cb 0.12 -3.90 -0.00 0.00 -0.72 0.00 0.00 41.12 36.62 3gtj n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtj n GLY 107 N -1.70 2.25 3.90 0.27 0.00 0.09 -5.18 105.19 104.83 3gtj n GLY 107 Ca 0.03 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3gtj n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 108 N -2.61 3.83 0.04 1.61 1.01 -1.26 -4.65 120.40 118.37 3gtj s VAL 108 Ca 0.09 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 3gtj s VAL 108 Cb -0.01 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3gtj s VAL 108 CO 0.07 -0.60 1.29 0.28 0.00 0.00 0.00 175.10 176.14 3gtj s THR 109 N -3.07 3.82 -0.06 3.92 -1.32 -1.26 -3.34 115.64 114.32 3gtj s THR 109 Ca 0.54 1.27 0.04 0.00 -1.21 0.00 0.00 61.69 62.33 3gtj s THR 109 Cb -0.11 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 3gtj s THR 109 CO 0.47 0.06 -0.18 -2.28 -2.21 0.00 0.00 174.62 170.48 3gtj s HIS 110 N 1.56 1.88 -0.86 9.09 5.04 -1.24 -4.98 115.29 125.77 3gtj s HIS 110 Ca 0.61 -0.63 -0.25 0.00 -1.54 0.00 0.00 55.06 53.25 3gtj s HIS 110 Cb -0.31 -1.28 0.00 0.00 0.04 0.00 0.00 32.58 31.03 3gtj s HIS 110 CO 0.28 -0.24 1.65 0.00 -2.34 0.00 0.00 174.74 174.08 3gtj s ALA 111 N 0.22 2.30 -0.48 1.58 0.00 -1.26 -1.89 121.76 122.23 3gtj s ALA 111 Ca -0.09 -1.57 -0.28 0.00 0.00 0.00 0.00 51.96 50.01 3gtj s ALA 111 Cb -0.14 -4.45 0.03 0.00 0.00 0.00 0.00 23.12 18.56 3gtj s ALA 111 CO 0.04 -3.98 1.10 -1.17 0.00 0.00 0.00 175.76 171.75 3gtj s LEU 112 N 7.43 3.69 0.61 0.00 2.96 -1.19 -5.02 118.68 127.16 3gtj s LEU 112 Ca 0.55 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.76 3gtj s LEU 112 Cb -0.06 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.19 3gtj s LEU 112 CO 0.03 -1.23 0.93 -0.31 -1.32 0.00 0.00 176.35 174.44 3gtj s TYR 113 N 4.36 3.26 0.11 5.38 1.51 -1.26 -4.69 117.35 126.01 3gtj s TYR 113 Ca 0.45 0.69 -0.14 0.00 -1.01 0.00 0.00 57.07 57.06 3gtj s TYR 113 Cb -0.08 -2.79 -0.07 0.00 -0.11 0.00 0.00 41.96 38.91 3gtj s TYR 113 CO 0.30 -0.88 1.44 -1.35 -1.11 0.00 0.00 175.55 173.96 3gtj h PRO 114 N -0.24 0.75 0.00 -1.71 0.11 -1.96 -2.81 132.00 126.14 3gtj h PRO 114 Ca -0.45 -0.39 0.00 0.00 0.11 0.00 0.00 66.00 65.27 3gtj h PRO 114 Cb 1.26 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gtj h PRO 114 CO 0.61 1.01 0.11 0.37 -0.21 0.00 0.00 178.00 179.89 3gtj h GLN 115 N 0.52 0.00 0.10 1.05 5.75 -1.92 0.22 115.11 120.83 3gtj h GLN 115 Ca 0.05 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.35 3gtj h GLN 115 Cb 0.86 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.42 3gtj h GLN 115 CO 0.07 0.00 -0.96 1.49 -2.65 0.00 0.00 178.83 176.78 3gtj h GLU 116 N 0.00 0.21 -0.71 1.69 4.81 -1.89 -3.32 114.58 115.37 3gtj h GLU 116 Ca 0.00 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3gtj h GLU 116 Cb 0.21 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3gtj h GLU 116 CO 0.00 1.18 0.20 0.00 -0.73 0.00 0.00 179.01 179.65 3gtj h ALA 117 N -0.02 1.01 -0.60 2.92 0.00 -0.41 -0.54 119.26 121.61 3gtj h ALA 117 Ca -0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3gtj h ALA 117 Cb 1.57 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3gtj h ALA 117 CO 0.07 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.27 3gtj h ARG 118 N 1.06 0.86 0.08 0.00 3.08 -1.17 -1.16 114.38 117.13 3gtj h ARG 118 Ca 0.23 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 3gtj h ARG 118 Cb 0.33 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3gtj h ARG 118 CO -0.00 0.69 -1.12 -0.07 -1.07 0.00 0.00 179.97 178.39 3gtj h LEU 119 N 0.82 0.37 -3.44 3.04 3.38 -1.38 -3.27 115.31 114.82 3gtj h LEU 119 Ca 0.21 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3gtj h LEU 119 Cb 0.10 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3gtj h LEU 119 CO -0.03 1.25 0.07 -2.11 0.09 0.00 0.00 178.44 177.71 3gtj n ARG 120 N -3.56 2.95 -3.27 1.13 1.85 -0.31 -4.96 116.66 110.49 3gtj n ARG 120 Ca -0.06 -3.01 -0.23 0.00 -1.00 0.00 0.00 57.85 53.54 3gtj n ARG 120 Cb 0.96 -1.97 0.05 0.00 -1.05 0.00 0.00 32.46 30.45 3gtj n ARG 120 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gtj n ASN 121 N -0.53 -6.27 -4.56 2.89 5.03 -1.12 -4.76 115.26 105.94 3gtj n ASN 121 Ca 0.31 -0.40 -0.20 0.00 0.87 0.00 0.00 54.58 55.16 3gtj n ASN 121 Cb 1.09 -5.01 0.09 0.00 -1.02 0.00 0.00 39.78 34.94 3gtj n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3gtj n LEU 122 N -4.46 0.00 -3.86 3.41 4.77 -0.45 -4.24 117.00 112.17 3gtj n LEU 122 Ca -0.06 -2.15 -0.28 0.00 -0.03 0.00 0.00 56.01 53.49 3gtj n LEU 122 Cb 0.60 -0.52 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 3gtj n LEU 122 CO 0.55 -0.85 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.46 3gtj s THR 123 N -2.68 1.03 -0.36 -5.08 2.01 -1.26 -1.41 115.64 107.88 3gtj s THR 123 Ca 0.60 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 3gtj s THR 123 Cb -0.04 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3gtj s THR 123 CO 0.39 0.01 1.75 -0.47 -0.69 0.00 0.00 174.62 175.61 3gtj s TYR 124 N 1.65 1.88 -0.20 4.92 5.04 -1.17 -4.93 117.35 124.53 3gtj s TYR 124 Ca -0.01 0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 55.14 3gtj s TYR 124 Cb -0.16 -4.15 0.06 0.00 0.35 0.00 0.00 41.96 38.06 3gtj s TYR 124 CO -0.07 -2.77 0.50 -1.54 -1.34 0.00 0.00 175.55 170.33 3gtj s SER 125 N 5.93 -0.64 0.88 4.32 1.04 -1.26 -2.53 113.70 121.44 3gtj s SER 125 Ca 0.76 1.09 -0.10 0.00 0.48 0.00 0.00 55.95 58.18 3gtj s SER 125 Cb -0.20 0.98 0.18 0.00 0.10 0.00 0.00 66.02 67.08 3gtj s SER 125 CO 0.33 -0.20 1.21 -0.44 0.98 0.00 0.00 173.24 175.11 3gtj s SER 126 N 1.34 3.47 -0.06 7.02 0.01 0.04 -2.51 113.70 123.02 3gtj s SER 126 Ca -0.09 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.16 3gtj s SER 126 Cb -0.07 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 3gtj s SER 126 CO -0.13 -2.47 -0.22 -0.83 0.41 0.00 0.00 173.24 170.00 3gtj s GLY 127 N -4.87 1.16 0.07 3.44 0.00 -1.26 -2.29 107.32 103.57 3gtj s GLY 127 Ca 0.72 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 3gtj s GLY 127 CO 0.50 -0.44 0.52 1.08 0.00 0.00 0.00 173.10 174.76 3gtj s LEU 128 N 0.07 4.47 -0.04 0.66 2.01 -0.89 -1.89 118.68 123.07 3gtj s LEU 128 Ca -0.08 1.14 -0.01 0.00 0.01 0.00 0.00 54.13 55.19 3gtj s LEU 128 Cb -0.14 -2.90 0.03 0.00 0.01 0.00 0.00 46.19 43.19 3gtj s LEU 128 CO 0.04 0.25 0.07 -0.36 1.01 0.00 0.00 176.35 177.36 3gtj s PHE 129 N -1.18 -0.02 0.13 0.29 0.40 0.26 -1.82 117.98 116.04 3gtj s PHE 129 Ca 0.30 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3gtj s PHE 129 Cb -0.18 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 3gtj s PHE 129 CO 0.18 -0.13 -0.07 0.08 0.70 0.00 0.00 175.22 175.98 3gtj s VAL 130 N 1.35 0.87 -0.27 -0.44 1.01 -0.88 0.44 120.40 122.48 3gtj s VAL 130 Ca -0.06 -1.99 -0.15 0.00 0.00 0.00 0.00 61.98 59.77 3gtj s VAL 130 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3gtj s VAL 130 CO -0.04 -0.75 0.40 -1.81 0.00 0.00 0.00 175.10 172.91 3gtj s ASP 131 N -3.12 6.28 -0.20 3.32 -0.00 -1.23 -3.64 116.67 118.08 3gtj s ASP 131 Ca 0.16 0.30 -0.20 0.00 -0.00 0.00 0.00 52.55 52.82 3gtj s ASP 131 Cb 0.04 -2.22 -0.03 0.00 -0.00 0.00 0.00 42.92 40.72 3gtj s ASP 131 CO -0.01 -0.21 0.59 -0.69 -0.00 0.00 0.00 175.17 174.85 3gtj s VAL 132 N 2.12 5.05 0.63 -1.27 1.01 -1.26 -1.92 120.40 124.75 3gtj s VAL 132 Ca 0.16 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 3gtj s VAL 132 Cb -0.16 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3gtj s VAL 132 CO 0.10 0.12 0.99 -0.54 0.00 0.00 0.00 175.10 175.78 3gtj s LYS 133 N 1.88 3.13 0.00 2.72 -0.14 -0.91 -5.04 119.74 121.38 3gtj s LYS 133 Ca 0.27 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.25 3gtj s LYS 133 Cb -0.16 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 3gtj s LYS 133 CO 0.10 -0.74 0.00 1.17 -0.76 0.00 0.00 175.35 175.12 3gtj n LYS 134 N -2.74 0.00 -2.04 1.68 4.81 -1.26 -4.75 118.16 113.86 3gtj n LYS 134 Ca 0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.10 3gtj n LYS 134 Cb 0.56 -1.07 -0.00 0.00 0.02 0.00 0.00 35.03 34.54 3gtj n LYS 134 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3gtj s LYS 164 N -0.31 3.97 -0.11 1.64 0.00 -1.26 -5.20 119.74 118.46 3gtj s LYS 164 Ca 0.00 2.18 -0.01 0.00 0.00 0.00 0.00 55.97 58.15 3gtj s LYS 164 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 37.83 35.09 3gtj s LYS 164 CO 0.00 -0.50 -0.05 0.08 0.00 0.00 0.00 175.35 174.88 3gtj s VAL 165 N -1.25 0.89 -0.19 1.79 1.01 -1.24 -5.05 120.40 116.35 3gtj s VAL 165 Ca 0.57 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 3gtj s VAL 165 Cb -0.39 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3gtj s VAL 165 CO 0.50 0.30 0.72 0.12 0.00 0.00 0.00 175.10 176.74 3gtj s PHE 166 N 1.76 3.39 -0.64 5.22 5.36 -1.26 -2.07 117.98 129.74 3gtj s PHE 166 Ca 0.04 1.07 0.05 0.00 -0.96 0.00 0.00 56.93 57.13 3gtj s PHE 166 Cb -0.13 -2.90 0.16 0.00 -0.34 0.00 0.00 43.02 39.80 3gtj s PHE 166 CO -0.08 -0.21 0.41 0.42 -1.46 0.00 0.00 175.22 174.30 3gtj s ILE 167 N 2.06 2.75 0.09 3.12 -1.09 -0.76 -4.75 121.20 122.62 3gtj s ILE 167 Ca 0.33 -3.94 0.00 0.00 -2.23 0.00 0.00 60.65 54.81 3gtj s ILE 167 Cb -0.16 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3gtj s ILE 167 CO 0.11 -0.94 0.00 0.61 -1.23 0.00 0.00 174.94 173.49 3gtj n GLY 168 N 2.36 -0.76 3.07 6.18 0.00 -1.25 -4.19 105.19 110.60 3gtj n GLY 168 Ca 0.15 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3gtj n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtj s ARG 169 N -0.87 2.56 -0.23 1.61 0.52 -1.26 -2.10 118.95 119.19 3gtj s ARG 169 Ca 0.00 -0.89 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 3gtj s ARG 169 Cb 0.00 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 3gtj s ARG 169 CO 0.00 -0.32 0.70 -1.17 0.02 0.00 0.00 175.30 174.53 3gtj s LEU 170 N 1.31 4.10 0.55 2.53 2.96 -0.97 -4.64 118.68 124.52 3gtj s LEU 170 Ca 0.01 0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 54.58 3gtj s LEU 170 Cb -0.15 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 3gtj s LEU 170 CO -0.10 -0.39 1.33 -2.84 -1.32 0.00 0.00 176.35 173.03 3gtj s PRO 171 N 2.42 3.11 -0.08 0.98 0.02 -1.26 -0.78 135.00 139.40 3gtj s PRO 171 Ca 0.30 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.54 3gtj s PRO 171 Cb -0.16 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.15 3gtj s PRO 171 CO 0.09 -1.19 -0.24 0.42 -0.33 0.00 0.00 177.00 175.75 3gtj s ILE 172 N -1.34 2.01 0.26 2.83 -1.09 -1.05 -4.84 121.20 117.99 3gtj s ILE 172 Ca 0.73 -1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 3gtj s ILE 172 Cb -0.39 -1.73 -0.10 0.00 -1.58 0.00 0.00 42.46 38.67 3gtj s ILE 172 CO 0.45 0.55 1.34 -0.32 -1.23 0.00 0.00 174.94 175.74 3gtj s MET 173 N 0.16 4.35 0.37 2.79 -2.45 -1.26 -4.56 119.30 118.70 3gtj s MET 173 Ca -0.13 2.17 -0.25 0.00 -1.25 0.00 0.00 55.69 56.23 3gtj s MET 173 Cb -0.16 -3.13 -0.09 0.00 1.25 0.00 0.00 34.83 32.70 3gtj s MET 173 CO 0.07 -0.26 1.08 -0.51 1.05 0.00 0.00 175.02 176.45 3gtj s LEU 174 N -0.79 4.24 -0.31 4.11 1.02 -0.48 -2.97 118.68 123.49 3gtj s LEU 174 Ca 0.54 2.15 0.00 0.00 0.02 0.00 0.00 54.13 56.84 3gtj s LEU 174 Cb -0.39 -4.04 0.00 0.00 0.02 0.00 0.00 46.19 41.78 3gtj s LEU 174 CO 0.45 -0.46 0.00 -1.14 0.02 0.00 0.00 176.35 175.22 3gtj n ARG 175 N 0.22 -1.60 0.00 1.70 0.63 -1.26 -2.40 116.66 113.96 3gtj n ARG 175 Ca 0.04 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3gtj n ARG 175 Cb 0.48 -4.79 0.00 0.00 0.45 0.00 0.00 32.46 28.60 3gtj n ARG 175 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3gtj n SER 176 N -0.84 -0.47 0.06 6.15 3.41 -1.16 -4.75 113.62 116.02 3gtj n SER 176 Ca -0.03 -0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.15 3gtj n SER 176 Cb 0.44 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 3gtj n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3gtj h LYS 177 N 0.00 0.02 -0.00 4.33 1.57 -1.95 -3.34 116.57 117.19 3gtj h LYS 177 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gtj h LYS 177 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3gtj h LYS 177 CO 0.00 0.98 -0.08 0.09 -0.57 0.00 0.00 179.45 179.86 3gtj n ASN 178 N -3.34 0.09 -4.77 0.86 4.13 -1.26 -4.81 115.26 106.17 3gtj n ASN 178 Ca -0.02 0.31 -0.37 0.00 1.68 0.00 0.00 54.58 56.19 3gtj n ASN 178 Cb 0.95 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 38.77 3gtj n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gtj h TYR 180 N 6.14 0.00 0.00 0.00 -1.99 -1.90 -1.17 116.97 118.04 3gtj h TYR 180 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 3gtj h TYR 180 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 3gtj h TYR 180 CO 0.64 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.08 3gtj n LEU 181 N -4.09 0.00 0.09 3.88 4.77 -1.26 -3.31 117.00 117.07 3gtj n LEU 181 Ca 0.22 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 3gtj n LEU 181 Cb 1.13 -0.21 0.12 0.00 -2.33 0.00 0.00 43.42 42.13 3gtj n LEU 181 CO 0.38 -0.05 0.46 0.77 -1.33 0.00 0.00 177.39 177.61 3gtj h SER 182 N 0.00 0.23 -0.03 -1.43 4.64 -1.41 -3.09 113.55 112.46 3gtj h SER 182 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3gtj h SER 182 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3gtj h SER 182 CO 0.00 0.80 0.00 -0.62 -0.87 0.00 0.00 176.83 176.14 3gtj n GLU 183 N -3.84 2.11 -2.25 4.77 4.71 -1.21 -5.02 120.64 119.90 3gtj n GLU 183 Ca -0.02 -1.61 -0.38 0.00 -0.01 0.00 0.00 57.16 55.14 3gtj n GLU 183 Cb 0.63 -1.47 -0.01 0.00 -1.01 0.00 0.00 31.44 29.58 3gtj n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gtj s ALA 184 N -2.00 3.09 0.48 0.62 0.00 -1.17 -5.08 121.76 117.71 3gtj s ALA 184 Ca 0.31 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.33 3gtj s ALA 184 Cb 0.20 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.97 3gtj s ALA 184 CO 0.31 -0.62 0.66 0.95 0.00 0.00 0.00 175.76 177.06 3gtj s THR 185 N -1.45 2.73 0.00 0.00 -4.23 -1.26 -4.99 115.64 106.44 3gtj s THR 185 Ca 0.60 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3gtj s THR 185 Cb -0.31 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.75 3gtj s THR 185 CO 0.38 0.00 0.87 1.21 -0.54 0.00 0.00 174.62 176.54 3gtj n GLU 186 N -2.03 0.00 -0.32 3.99 2.13 -1.26 -2.25 120.64 120.90 3gtj n GLU 186 Ca 0.10 0.41 0.29 0.00 0.66 0.00 0.00 57.16 58.62 3gtj n GLU 186 Cb 0.60 -1.37 0.63 0.00 0.27 0.00 0.00 31.44 31.57 3gtj n GLU 186 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3gtj h SER 187 N 0.00 0.23 -0.50 4.31 4.64 -2.00 0.93 113.55 121.16 3gtj h SER 187 Ca 0.00 0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.45 3gtj h SER 187 Cb 0.00 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 3gtj h SER 187 CO 0.00 0.03 0.12 0.44 -0.87 0.00 0.00 176.83 176.55 3gtj h ASP 188 N 0.20 0.04 0.38 4.97 3.45 -1.93 -2.56 116.42 120.96 3gtj h ASP 188 Ca 0.59 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 58.11 3gtj h ASP 188 Cb 1.89 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.77 3gtj h ASP 188 CO -0.17 0.05 -0.18 -0.07 -1.57 0.00 0.00 179.24 177.29 3gtj h LEU 189 N 0.26 -0.43 -0.64 1.55 3.38 0.14 -2.55 115.31 117.02 3gtj h LEU 189 Ca 0.25 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.35 3gtj h LEU 189 Cb 0.33 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 3gtj h LEU 189 CO -0.31 -0.29 -0.11 1.88 0.09 0.00 0.00 178.44 179.70 3gtj h TYR 190 N -0.53 -0.25 -1.00 1.13 -1.99 -1.35 1.41 116.97 114.38 3gtj h TYR 190 Ca -0.05 0.05 0.24 0.00 2.00 0.00 0.00 58.73 60.97 3gtj h TYR 190 Cb 0.41 0.21 -0.09 0.00 2.00 0.00 0.00 36.73 39.26 3gtj h TYR 190 CO -0.04 -0.25 0.65 0.87 -0.00 0.00 0.00 178.16 179.38 3gtj h LYS 191 N 0.03 0.43 -0.00 4.88 1.57 -1.17 1.00 116.57 123.31 3gtj h LYS 191 Ca 0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3gtj h LYS 191 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gtj h LYS 191 CO -0.63 0.28 -0.14 1.28 -0.57 0.00 0.00 179.45 179.68 3gtj n LEU 192 N -4.61 0.48 -1.75 2.94 4.77 0.46 -4.92 117.00 114.37 3gtj n LEU 192 Ca 0.24 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3gtj n LEU 192 Cb 0.80 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 3gtj n LEU 192 CO 0.26 0.09 -0.03 0.29 -1.33 0.00 0.00 177.39 176.68 3gtj n LYS 193 N -1.01 -2.50 -4.49 3.23 5.02 0.35 -4.68 118.16 114.09 3gtj n LYS 193 Ca 0.13 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 3gtj n LYS 193 Cb 0.29 -4.61 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 3gtj n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtj s GLU 194 N -5.09 2.50 -0.09 1.97 0.41 -1.09 -4.95 118.70 112.36 3gtj s GLU 194 Ca 0.14 -0.75 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 3gtj s GLU 194 Cb -0.06 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 3gtj s GLU 194 CO 0.18 0.60 0.81 0.00 -0.49 0.00 0.00 175.26 176.36 3gtj n PRO 196 N 4.40 0.02 0.04 0.00 -0.02 -1.26 -0.04 135.00 138.14 3gtj n PRO 196 Ca 0.03 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3gtj n PRO 196 Cb 0.50 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.63 3gtj n PRO 196 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gtj n PHE 197 N -1.47 0.38 -1.76 6.00 3.01 -1.26 -4.92 117.46 117.44 3gtj n PHE 197 Ca 0.02 0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 3gtj n PHE 197 Cb 0.09 -0.53 -0.00 0.00 -0.01 0.00 0.00 39.48 39.02 3gtj n PHE 197 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gtj n ASP 198 N -1.96 3.73 0.00 4.37 2.03 0.94 -4.93 116.55 120.73 3gtj n ASP 198 Ca 0.03 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.55 3gtj n ASP 198 Cb 0.42 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.21 3gtj n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3gtj n MET 199 N 0.82 0.64 0.00 -0.67 0.00 -1.26 -4.99 117.12 111.65 3gtj n MET 199 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 3gtj n MET 199 Cb 0.38 -0.95 0.00 0.00 0.00 0.00 0.00 33.22 32.65 3gtj n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gtj n GLY 200 N 2.31 -0.82 2.07 3.17 0.00 -1.26 -4.88 105.19 105.78 3gtj n GLY 200 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 3gtj n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtj n GLY 201 N 0.00 0.52 0.92 -0.02 0.00 -1.01 -4.95 105.19 100.65 3gtj n GLY 201 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 3gtj n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gtj n TYR 202 N -3.15 0.21 -4.52 1.61 0.18 -1.26 -4.74 117.16 105.48 3gtj n TYR 202 Ca -0.03 -0.66 -0.25 0.00 1.88 0.00 0.00 57.90 58.85 3gtj n TYR 202 Cb 0.18 -0.06 -0.10 0.00 -0.38 0.00 0.00 39.34 38.99 3gtj n TYR 202 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3gtj s PHE 203 N -1.64 2.01 -0.11 -3.48 0.40 -0.76 -1.39 117.98 113.02 3gtj s PHE 203 Ca 0.02 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.40 3gtj s PHE 203 Cb 0.00 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.16 3gtj s PHE 203 CO 0.01 0.04 -0.20 0.42 0.70 0.00 0.00 175.22 176.20 3gtj s ILE 204 N -3.14 1.80 -0.39 0.64 1.09 -1.26 -2.99 121.20 116.94 3gtj s ILE 204 Ca 0.31 -0.85 0.01 0.00 -1.10 0.00 0.00 60.65 59.02 3gtj s ILE 204 Cb 0.07 -1.59 0.13 0.00 -1.06 0.00 0.00 42.46 40.01 3gtj s ILE 204 CO 0.14 0.50 0.21 -0.63 -0.10 0.00 0.00 174.94 175.07 3gtj s ILE 205 N 0.66 0.90 -1.15 2.92 -1.09 0.00 -3.07 121.20 120.38 3gtj s ILE 205 Ca -0.12 -2.12 -0.10 0.00 -2.23 0.00 0.00 60.65 56.08 3gtj s ILE 205 Cb -0.16 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3gtj s ILE 205 CO 0.03 -0.90 0.83 0.59 -1.23 0.00 0.00 174.94 174.26 3gtj n ASN 206 N 3.88 -4.67 0.00 3.58 3.02 -0.50 -3.74 115.26 116.82 3gtj n ASN 206 Ca 0.08 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3gtj n ASN 206 Cb 0.36 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 3gtj n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtj n GLY 207 N -1.47 1.53 3.66 7.41 0.00 -1.06 -4.74 105.19 110.52 3gtj n GLY 207 Ca -0.14 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3gtj n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtj n SER 208 N 4.08 2.21 -4.41 1.61 3.41 -1.25 -4.74 113.62 114.54 3gtj n SER 208 Ca 0.00 1.18 -0.44 0.00 -0.26 0.00 0.00 58.87 59.35 3gtj n SER 208 Cb 0.00 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 62.50 3gtj n SER 208 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gtj s GLU 209 N -1.81 3.22 0.50 4.33 2.02 -1.26 -0.82 118.70 124.88 3gtj s GLU 209 Ca 0.57 -1.33 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 3gtj s GLU 209 Cb -0.60 -4.40 -0.08 0.00 0.10 0.00 0.00 34.13 29.14 3gtj s GLU 209 CO 0.61 -1.66 0.96 0.15 0.02 0.00 0.00 175.26 175.34 3gtj s LYS 210 N 2.97 3.97 -0.01 1.61 -0.14 -1.16 -0.58 119.74 126.39 3gtj s LYS 210 Ca 0.20 0.93 0.08 0.00 -1.36 0.00 0.00 55.97 55.82 3gtj s LYS 210 Cb -0.17 -2.16 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 3gtj s LYS 210 CO 0.03 -0.22 -0.24 0.08 -0.76 0.00 0.00 175.35 174.24 3gtj s VAL 211 N -2.55 2.22 -0.11 3.17 1.01 0.18 -1.84 120.40 122.48 3gtj s VAL 211 Ca 0.59 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3gtj s VAL 211 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3gtj s VAL 211 CO 0.29 0.55 0.82 -0.76 0.00 0.00 0.00 175.10 175.99 3gtj s LEU 212 N -0.73 4.25 -0.31 3.92 1.43 -1.26 -1.57 118.68 124.41 3gtj s LEU 212 Ca 0.11 1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 54.34 3gtj s LEU 212 Cb -0.10 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3gtj s LEU 212 CO -0.00 -0.29 0.25 -0.63 0.23 0.00 0.00 176.35 175.90 3gtj s ILE 213 N 1.55 5.27 -0.43 -0.59 1.01 -1.26 -4.86 121.20 121.89 3gtj s ILE 213 Ca 0.40 0.07 -0.43 0.00 0.00 0.00 0.00 60.65 60.70 3gtj s ILE 213 Cb -0.18 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 3gtj s ILE 213 CO 0.17 0.12 1.91 0.00 0.00 0.00 0.00 174.94 177.13 3gtj n ALA 214 N 5.14 -0.20 -2.26 9.38 0.00 -1.01 -4.69 120.51 126.87 3gtj n ALA 214 Ca -0.12 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 3gtj n ALA 214 Cb 0.51 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 3gtj n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gtj s GLN 215 N 4.64 4.03 0.02 0.00 -1.52 -0.92 -0.44 119.66 125.47 3gtj s GLN 215 Ca 1.10 0.59 0.02 0.00 -1.95 0.00 0.00 55.36 55.11 3gtj s GLN 215 Cb -1.31 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 28.66 3gtj s GLN 215 CO 0.68 0.37 0.02 -2.00 -0.25 0.00 0.00 175.29 174.11 3gtj s GLU 216 N -2.29 2.80 0.07 2.91 2.12 -1.13 0.15 118.70 123.33 3gtj s GLU 216 Ca 0.44 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.91 3gtj s GLU 216 Cb -0.14 -2.68 0.06 0.00 0.26 0.00 0.00 34.13 31.62 3gtj s GLU 216 CO 0.20 0.61 0.54 -0.98 -0.54 0.00 0.00 175.26 175.09 3gtj s ARG 217 N -1.76 1.10 0.14 4.30 1.70 -0.97 -4.53 118.95 118.92 3gtj s ARG 217 Ca 0.22 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 3gtj s ARG 217 Cb -0.12 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.69 3gtj s ARG 217 CO 0.13 -0.42 1.16 0.45 -1.08 0.00 0.00 175.30 175.54 3gtj s SER 218 N -2.17 7.16 0.99 -2.89 0.15 -1.26 -1.60 113.70 114.08 3gtj s SER 218 Ca -0.03 2.10 -0.11 0.00 0.70 0.00 0.00 55.95 58.61 3gtj s SER 218 Cb -0.00 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 3gtj s SER 218 CO -0.04 -0.34 1.11 0.00 1.20 0.00 0.00 173.24 175.17 3gtj s ALA 219 N 0.21 0.87 0.28 5.45 0.00 -1.11 -4.77 121.76 122.68 3gtj s ALA 219 Ca 0.53 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3gtj s ALA 219 Cb -0.30 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3gtj s ALA 219 CO 0.34 -3.10 0.37 0.20 0.00 0.00 0.00 175.76 173.57 3gtj s GLY 220 N -2.63 1.40 -1.16 0.00 0.00 -1.26 -4.79 107.32 98.88 3gtj s GLY 220 Ca 0.67 -1.36 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 3gtj s GLY 220 CO 0.60 -1.34 0.83 0.70 0.00 0.00 0.00 173.10 173.89 3gtj n ASN 221 N -1.45 -4.24 -3.83 1.64 4.13 0.38 -4.97 115.26 106.92 3gtj n ASN 221 Ca -0.06 -0.82 -0.12 0.00 1.68 0.00 0.00 54.58 55.26 3gtj n ASN 221 Cb 0.58 -4.35 -0.12 0.00 -1.54 0.00 0.00 39.78 34.35 3gtj n ASN 221 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3gtj s ILE 222 N -3.49 0.03 -0.19 2.41 -4.36 -1.26 -4.35 121.20 109.99 3gtj s ILE 222 Ca 0.29 -0.21 -0.29 0.00 -0.26 0.00 0.00 60.65 60.18 3gtj s ILE 222 Cb -0.07 -0.30 -0.01 0.00 1.25 0.00 0.00 42.46 43.34 3gtj s ILE 222 CO 0.79 -0.11 1.19 0.54 0.24 0.00 0.00 174.94 177.59 3gtj s VAL 223 N -0.36 4.41 -0.07 8.37 0.11 -1.26 -4.43 120.40 127.17 3gtj s VAL 223 Ca -0.04 1.69 0.00 0.00 -2.93 0.00 0.00 61.98 60.70 3gtj s VAL 223 Cb -0.03 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.74 3gtj s VAL 223 CO 0.01 -0.16 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.47 3gtj s GLN 224 N 3.43 0.99 -0.19 1.54 -0.21 -1.09 -5.04 119.66 119.09 3gtj s GLN 224 Ca 0.51 -0.10 -0.10 0.00 0.02 0.00 0.00 55.36 55.70 3gtj s GLN 224 Cb -0.19 -1.09 -0.05 0.00 1.00 0.00 0.00 33.01 32.68 3gtj s GLN 224 CO 0.12 -0.18 0.13 0.08 -2.12 0.00 0.00 175.29 173.33 3gtj s VAL 225 N 1.38 5.43 -0.05 1.09 1.01 -1.26 -1.44 120.40 126.56 3gtj s VAL 225 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3gtj s VAL 225 Cb -0.13 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3gtj s VAL 225 CO -0.03 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.09 3gtj s PHE 226 N 0.13 1.09 0.29 5.22 2.99 0.10 -1.54 117.98 126.25 3gtj s PHE 226 Ca 0.09 -0.35 -0.27 0.00 0.00 0.00 0.00 56.93 56.41 3gtj s PHE 226 Cb -0.11 -0.83 -0.09 0.00 0.00 0.00 0.00 43.02 41.98 3gtj s PHE 226 CO -0.01 -0.20 0.92 0.15 -0.00 0.00 0.00 175.22 176.08 3gtj s LYS 227 N 0.62 4.64 0.28 0.44 1.02 -1.26 -1.84 119.74 123.63 3gtj s LYS 227 Ca -0.11 1.34 0.08 0.00 0.02 0.00 0.00 55.97 57.30 3gtj s LYS 227 Cb -0.14 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3gtj s LYS 227 CO 0.02 0.36 0.15 0.15 -0.92 0.00 0.00 175.35 175.11 3gtj s LYS 228 N -1.78 2.65 1.22 1.68 1.02 -1.15 -4.97 119.74 118.40 3gtj s LYS 228 Ca 0.47 -1.25 -0.20 0.00 0.02 0.00 0.00 55.97 55.00 3gtj s LYS 228 Cb -0.21 -2.39 0.31 0.00 -0.52 0.00 0.00 37.83 35.03 3gtj s LYS 228 CO 0.26 0.31 0.86 0.00 -0.92 0.00 0.00 175.35 175.86 3gtj n ALA 229 N -1.12 -3.98 0.03 5.17 0.00 -1.26 -4.88 120.51 114.46 3gtj n ALA 229 Ca -0.06 -1.41 -0.07 0.00 0.00 0.00 0.00 53.44 51.90 3gtj n ALA 229 Cb 0.59 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3gtj n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj h ALA 230 N -3.12 -0.17 0.00 0.00 0.00 -2.00 -3.34 119.26 110.61 3gtj h ALA 230 Ca -0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gtj h ALA 230 Cb 1.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gtj h ALA 230 CO 0.22 -0.19 0.00 -2.30 0.00 0.00 0.00 179.25 176.98 3gtj n PRO 231 N -4.87 0.74 -4.53 0.00 -0.02 -1.26 -4.76 135.00 120.30 3gtj n PRO 231 Ca -0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 3gtj n PRO 231 Cb 0.19 -1.17 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 3gtj n PRO 231 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gtj s SER 232 N 0.80 4.66 0.55 2.55 1.04 -1.26 -5.02 113.70 117.02 3gtj s SER 232 Ca 0.00 -0.08 0.33 0.00 0.48 0.00 0.00 55.95 56.67 3gtj s SER 232 Cb 0.00 -1.13 1.51 0.00 0.10 0.00 0.00 66.02 66.50 3gtj s SER 232 CO 0.00 0.32 2.05 -0.65 0.98 0.00 0.00 173.24 175.94 3gtj h PRO 233 N 4.84 0.00 -5.42 4.02 0.11 -1.92 -3.43 132.00 130.20 3gtj h PRO 233 Ca -0.49 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 3gtj h PRO 233 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 3gtj h PRO 233 CO 0.53 0.07 -0.51 0.42 -0.21 0.00 0.00 178.00 178.29 3gtj s ILE 234 N -3.88 5.22 -0.17 4.15 -1.09 -1.26 -1.24 121.20 122.92 3gtj s ILE 234 Ca -0.01 0.11 0.10 0.00 -2.23 0.00 0.00 60.65 58.62 3gtj s ILE 234 Cb 0.11 -3.33 -0.14 0.00 -1.58 0.00 0.00 42.46 37.52 3gtj s ILE 234 CO 0.54 0.51 0.29 -1.54 -1.23 0.00 0.00 174.94 173.51 3gtj n SER 235 N 3.00 1.93 -3.68 3.58 3.41 -1.13 -4.63 113.62 116.10 3gtj n SER 235 Ca -0.17 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 3gtj n SER 235 Cb 0.53 1.30 -0.09 0.00 -0.26 0.00 0.00 64.21 65.69 3gtj n SER 235 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3gtj s HIS 236 N -2.43 -0.75 0.02 7.33 3.76 -1.26 -2.96 115.29 119.01 3gtj s HIS 236 Ca -0.01 1.60 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 3gtj s HIS 236 Cb 0.07 0.37 -0.02 0.00 1.11 0.00 0.00 32.58 34.11 3gtj s HIS 236 CO 0.41 -0.39 -0.11 0.08 -0.85 0.00 0.00 174.74 173.89 3gtj s VAL 237 N 1.18 0.84 -0.20 -0.90 1.01 -0.76 -0.83 120.40 120.73 3gtj s VAL 237 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3gtj s VAL 237 Cb -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.60 3gtj s VAL 237 CO -0.11 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 174.89 3gtj s ALA 238 N -0.63 2.23 0.32 5.51 0.00 -0.52 -0.72 121.76 127.94 3gtj s ALA 238 Ca 0.01 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 50.71 3gtj s ALA 238 Cb -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3gtj s ALA 238 CO 0.00 -0.74 0.26 -1.21 0.00 0.00 0.00 175.76 174.08 3gtj s GLU 239 N 1.30 2.75 -0.24 0.00 2.02 -0.52 -2.18 118.70 121.83 3gtj s GLU 239 Ca -0.01 -1.25 -0.09 0.00 0.02 0.00 0.00 54.97 53.64 3gtj s GLU 239 Cb -0.16 -2.48 0.10 0.00 0.10 0.00 0.00 34.13 31.69 3gtj s GLU 239 CO -0.09 0.17 0.53 -1.50 0.02 0.00 0.00 175.26 174.38 3gtj s ILE 240 N -2.27 -0.64 -1.08 -1.63 2.07 -1.06 -2.68 121.20 113.91 3gtj s ILE 240 Ca 0.39 0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 59.55 3gtj s ILE 240 Cb -0.06 -0.81 0.15 0.00 0.13 0.00 0.00 42.46 41.86 3gtj s ILE 240 CO 0.26 0.04 1.30 -0.13 -1.91 0.00 0.00 174.94 174.50 3gtj s ARG 241 N 2.49 3.84 -0.34 3.50 0.52 -1.26 -3.27 118.95 124.43 3gtj s ARG 241 Ca -0.05 -2.14 -0.23 0.00 -0.52 0.00 0.00 55.73 52.79 3gtj s ARG 241 Cb -0.11 -5.02 0.01 0.00 0.52 0.00 0.00 34.95 30.34 3gtj s ARG 241 CO -0.16 -1.80 0.78 -1.54 0.02 0.00 0.00 175.30 172.61 3gtj s SER 242 N 3.32 6.60 -0.09 0.23 1.04 -1.25 -0.47 113.70 123.07 3gtj s SER 242 Ca 0.39 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.15 3gtj s SER 242 Cb -0.03 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.72 3gtj s SER 242 CO -0.04 -0.68 0.40 0.00 0.98 0.00 0.00 173.24 173.90 3gtj s ALA 243 N 3.03 -0.99 0.06 5.32 0.00 -1.26 -2.92 121.76 124.99 3gtj s ALA 243 Ca 0.32 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 3gtj s ALA 243 Cb -0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3gtj s ALA 243 CO 0.15 -0.24 0.72 -0.51 0.00 0.00 0.00 175.76 175.88 3gtj s LEU 244 N -0.52 4.47 0.00 0.00 1.02 -1.26 -4.84 118.68 117.56 3gtj s LEU 244 Ca -0.06 1.41 0.30 0.00 0.02 0.00 0.00 54.13 55.80 3gtj s LEU 244 Cb -0.04 -3.16 1.58 0.00 0.02 0.00 0.00 46.19 44.60 3gtj s LEU 244 CO 0.03 0.08 2.06 -1.84 0.02 0.00 0.00 176.35 176.70 3gtj n GLU 245 N 2.52 0.73 -2.00 1.70 0.28 -1.26 -3.43 120.64 119.18 3gtj n GLU 245 Ca -0.04 -0.09 0.02 0.00 -0.16 0.00 0.00 57.16 56.89 3gtj n GLU 245 Cb 0.50 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.90 3gtj n GLU 245 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3gtj n LYS 246 N -1.06 0.67 -2.64 3.44 2.85 -1.26 -4.91 118.16 115.25 3gtj n LYS 246 Ca 0.18 -2.47 -0.11 0.00 -1.05 0.00 0.00 58.31 54.86 3gtj n LYS 246 Cb 0.21 -0.54 0.03 0.00 -0.65 0.00 0.00 35.03 34.07 3gtj n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtj n GLY 247 N 0.01 1.98 7.00 2.58 0.00 -1.22 -5.12 105.19 110.42 3gtj n GLY 247 Ca 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3gtj n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gtj n SER 248 N -0.10 0.00 -3.17 1.61 7.64 -1.26 -4.20 113.62 114.13 3gtj n SER 248 Ca 0.12 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.78 3gtj n SER 248 Cb 0.80 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.96 3gtj n SER 248 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gtj n ARG 249 N 13.27 1.46 -2.40 1.43 3.00 -1.26 -4.80 116.66 127.36 3gtj n ARG 249 Ca 0.00 -3.73 -0.43 0.00 -0.00 0.00 0.00 57.85 53.69 3gtj n ARG 249 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.73 3gtj n ARG 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3gtj n PHE 250 N 0.54 4.27 -2.29 -0.14 3.72 -1.26 -4.94 117.46 117.36 3gtj n PHE 250 Ca 0.26 -2.96 -0.34 0.00 -0.05 0.00 0.00 57.45 54.36 3gtj n PHE 250 Cb 0.55 -2.48 -0.04 0.00 -0.94 0.00 0.00 39.48 36.57 3gtj n PHE 250 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3gtj s ILE 251 N 3.18 3.75 -0.57 4.37 -1.09 -1.26 -4.39 121.20 125.18 3gtj s ILE 251 Ca 0.49 -1.04 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 3gtj s ILE 251 Cb 0.06 -4.71 0.14 0.00 -1.58 0.00 0.00 42.46 36.38 3gtj s ILE 251 CO 0.02 -1.43 0.49 -0.55 -1.23 0.00 0.00 174.94 172.24 3gtj s SER 252 N 5.94 6.09 -0.19 3.58 0.15 -1.15 -5.02 113.70 123.11 3gtj s SER 252 Ca 0.61 -2.02 -0.19 0.00 0.70 0.00 0.00 55.95 55.04 3gtj s SER 252 Cb -0.01 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 3gtj s SER 252 CO 0.04 -0.74 0.55 0.42 1.20 0.00 0.00 173.24 174.71 3gtj s THR 253 N 1.22 5.09 -0.12 6.45 -4.23 -1.26 -3.90 115.64 118.89 3gtj s THR 253 Ca 0.07 1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 3gtj s THR 253 Cb -0.25 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 3gtj s THR 253 CO -0.00 0.17 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.01 3gtj s LEU 254 N 1.61 3.39 -0.05 4.79 2.96 -1.20 -4.74 118.68 125.43 3gtj s LEU 254 Ca 0.26 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3gtj s LEU 254 Cb -0.16 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3gtj s LEU 254 CO 0.10 0.28 -0.14 -1.10 -1.32 0.00 0.00 176.35 174.17 3gtj s GLN 255 N -0.30 1.64 -0.36 1.98 -0.21 -1.25 -2.57 119.66 118.59 3gtj s GLN 255 Ca 0.06 -0.50 -0.09 0.00 0.02 0.00 0.00 55.36 54.85 3gtj s GLN 255 Cb -0.12 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.52 3gtj s GLN 255 CO 0.02 0.15 0.17 0.08 -2.12 0.00 0.00 175.29 173.58 3gtj s VAL 256 N 0.28 4.16 0.35 1.09 1.01 -0.93 -0.78 120.40 125.58 3gtj s VAL 256 Ca -0.08 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.86 3gtj s VAL 256 Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3gtj s VAL 256 CO 0.03 -0.25 0.54 -0.54 0.00 0.00 0.00 175.10 174.88 3gtj s LYS 257 N 1.47 3.39 -0.38 2.72 1.02 -0.95 -1.44 119.74 125.56 3gtj s LYS 257 Ca 0.00 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.57 3gtj s LYS 257 Cb -0.20 -2.68 0.11 0.00 -0.52 0.00 0.00 37.83 34.55 3gtj s LYS 257 CO 0.04 0.10 0.15 -1.17 -0.92 0.00 0.00 175.35 173.55 3gtj s LEU 258 N -4.31 3.25 0.72 3.17 2.96 -0.01 -3.24 118.68 121.22 3gtj s LEU 258 Ca 0.41 -2.22 -0.15 0.00 -0.22 0.00 0.00 54.13 51.95 3gtj s LEU 258 Cb -0.10 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.43 3gtj s LEU 258 CO 0.35 -0.34 1.20 -0.31 -1.32 0.00 0.00 176.35 175.93 3gtj s TYR 259 N 0.84 2.12 0.19 5.38 1.51 -0.70 -2.82 117.35 123.86 3gtj s TYR 259 Ca 0.13 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.78 3gtj s TYR 259 Cb -0.21 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.20 3gtj s TYR 259 CO -0.10 -2.51 0.00 0.41 -1.11 0.00 0.00 175.55 172.24 3gtj n GLY 260 N 0.31 -3.38 4.02 0.71 0.00 -0.37 -3.78 105.19 102.70 3gtj n GLY 260 Ca 0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 3gtj n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtj s ARG 261 N -4.84 1.93 0.05 1.61 0.52 -1.26 -4.47 118.95 112.49 3gtj s ARG 261 Ca 0.00 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.38 3gtj s ARG 261 Cb 0.00 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.87 3gtj s ARG 261 CO 0.00 -1.21 1.93 -1.91 0.02 0.00 0.00 175.30 174.12 3gtj n GLU 262 N -2.55 2.78 -0.79 3.54 0.00 -1.26 -1.84 120.64 120.52 3gtj n GLU 262 Ca 0.17 1.02 0.00 0.00 0.00 0.00 0.00 57.16 58.35 3gtj n GLU 262 Cb 0.62 -2.95 0.00 0.00 0.00 0.00 0.00 31.44 29.11 3gtj n GLU 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gtj n GLY 263 N 4.44 0.57 3.86 8.31 0.00 -1.26 -5.07 105.19 116.05 3gtj n GLY 263 Ca 0.20 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3gtj n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gtj s SER 264 N -2.29 4.60 0.00 1.61 0.15 -0.76 -5.01 113.70 111.99 3gtj s SER 264 Ca 0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3gtj s SER 264 Cb 0.00 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 3gtj s SER 264 CO 0.00 -1.87 0.95 -1.20 1.20 0.00 0.00 173.24 172.32 3gtj n SER 265 N -3.32 0.00 -3.50 5.45 7.64 -1.26 -4.66 113.62 113.97 3gtj n SER 265 Ca 0.07 0.95 -0.14 0.00 1.01 0.00 0.00 58.87 60.76 3gtj n SER 265 Cb 0.59 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 3gtj n SER 265 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtj s ALA 266 N -3.57 -0.64 -0.52 -0.43 0.00 -1.26 -5.12 121.76 110.22 3gtj s ALA 266 Ca 0.00 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 3gtj s ALA 266 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.79 3gtj s ALA 266 CO 0.00 -1.07 1.06 1.03 0.00 0.00 0.00 175.76 176.79 3gtj s ARG 267 N 2.43 3.54 -0.05 0.00 0.52 -1.26 -4.87 118.95 119.25 3gtj s ARG 267 Ca 0.07 0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 55.44 3gtj s ARG 267 Cb -0.15 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 3gtj s ARG 267 CO -0.12 -1.45 0.18 -0.08 0.02 0.00 0.00 175.30 173.84 3gtj s THR 268 N 4.32 5.45 -0.19 0.02 -1.32 -1.25 -4.76 115.64 117.91 3gtj s THR 268 Ca 0.40 0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.81 3gtj s THR 268 Cb -0.09 -3.49 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 3gtj s THR 268 CO 0.26 0.44 0.09 -0.63 -2.21 0.00 0.00 174.62 172.57 3gtj s ILE 269 N -1.22 5.01 0.40 5.08 1.01 -1.26 -1.72 121.20 128.50 3gtj s ILE 269 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3gtj s ILE 269 Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 3gtj s ILE 269 CO 0.13 0.44 0.20 -0.54 0.00 0.00 0.00 174.94 175.17 3gtj s LYS 270 N 0.47 1.94 0.02 2.79 1.02 -1.20 -2.70 119.74 122.08 3gtj s LYS 270 Ca 0.05 -2.18 -0.15 0.00 0.02 0.00 0.00 55.97 53.71 3gtj s LYS 270 Cb -0.12 -0.24 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 3gtj s LYS 270 CO 0.00 -0.59 0.33 0.00 -0.92 0.00 0.00 175.35 174.17 3gtj s ALA 271 N -3.24 -0.80 -0.29 5.17 0.00 -0.93 -2.25 121.76 119.42 3gtj s ALA 271 Ca 0.28 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 3gtj s ALA 271 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3gtj s ALA 271 CO 0.20 -0.36 0.23 0.99 0.00 0.00 0.00 175.76 176.82 3gtj s THR 272 N -2.04 5.28 -0.08 0.00 2.01 0.04 -1.81 115.64 119.05 3gtj s THR 272 Ca -0.08 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3gtj s THR 272 Cb -0.02 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 3gtj s THR 272 CO 0.00 0.20 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.22 3gtj s LEU 273 N 1.82 2.63 0.18 4.42 1.43 -1.26 -3.83 118.68 124.07 3gtj s LEU 273 Ca 0.09 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 52.58 3gtj s LEU 273 Cb -0.16 -1.55 -0.11 0.00 0.03 0.00 0.00 46.19 44.40 3gtj s LEU 273 CO 0.11 0.27 1.78 -2.65 0.23 0.00 0.00 176.35 176.09 3gtj n PRO 274 N 2.82 2.81 -0.80 1.29 -0.02 -1.26 -2.29 135.00 137.54 3gtj n PRO 274 Ca -0.18 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3gtj n PRO 274 Cb 0.52 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3gtj n PRO 274 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gtj n TYR 275 N 4.71 0.00 -4.72 6.00 4.01 -1.26 -4.95 117.16 120.95 3gtj n TYR 275 Ca 0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.66 3gtj n TYR 275 Cb 0.36 -0.24 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 3gtj n TYR 275 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gtj s ILE 276 N -2.00 1.28 0.00 -0.72 1.01 -0.97 -4.88 121.20 114.91 3gtj s ILE 276 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3gtj s ILE 276 Cb 0.00 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.36 3gtj s ILE 276 CO 0.00 0.38 0.79 1.17 0.00 0.00 0.00 174.94 177.28 3gtj n LYS 277 N 3.30 0.00 -1.79 2.79 4.81 -1.26 -4.77 118.16 121.23 3gtj n LYS 277 Ca -0.19 0.39 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 3gtj n LYS 277 Cb 0.53 -1.29 0.07 0.00 0.02 0.00 0.00 35.03 34.35 3gtj n LYS 277 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3gtj n GLN 278 N -1.54 0.26 -2.93 1.64 6.02 -1.26 -5.06 117.38 114.51 3gtj n GLN 278 Ca 0.00 -1.60 -0.27 0.00 -0.01 0.00 0.00 57.00 55.11 3gtj n GLN 278 Cb 0.00 -0.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.89 3gtj n GLN 278 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gtj s ASP 279 N -3.33 6.34 -0.09 1.08 1.01 -1.26 -4.68 116.67 115.74 3gtj s ASP 279 Ca 0.38 0.83 -0.00 0.00 0.71 0.00 0.00 52.55 54.47 3gtj s ASP 279 Cb -0.02 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.73 3gtj s ASP 279 CO 0.25 -0.43 -0.06 -0.63 0.21 0.00 0.00 175.17 174.51 3gtj s ILE 280 N -2.49 0.81 0.31 0.77 -1.09 -0.75 -4.86 121.20 113.89 3gtj s ILE 280 Ca 0.46 -0.18 -0.28 0.00 -2.23 0.00 0.00 60.65 58.42 3gtj s ILE 280 Cb -0.10 -0.85 -0.13 0.00 -1.58 0.00 0.00 42.46 39.79 3gtj s ILE 280 CO 0.39 0.32 1.14 -2.65 -1.23 0.00 0.00 174.94 172.91 3gtj n PRO 281 N 4.78 1.69 -0.25 2.79 -0.02 -1.26 -2.18 135.00 140.54 3gtj n PRO 281 Ca -0.13 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 3gtj n PRO 281 Cb 0.50 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 3gtj n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gtj h ILE 282 N 2.27 1.21 -0.69 4.25 -0.00 -1.84 -2.21 117.51 120.51 3gtj h ILE 282 Ca -0.42 -0.54 0.15 0.00 -0.00 0.00 0.00 64.86 64.05 3gtj h ILE 282 Cb 1.31 0.30 -0.04 0.00 -0.00 0.00 0.00 36.82 38.40 3gtj h ILE 282 CO 0.62 0.24 0.47 -0.37 -0.00 0.00 0.00 178.15 179.11 3gtj h VAL 283 N 0.95 0.78 -0.35 0.16 -1.51 -1.89 0.24 116.25 114.64 3gtj h VAL 283 Ca 0.24 -0.10 -0.16 0.00 -1.23 0.00 0.00 66.70 65.45 3gtj h VAL 283 Cb 0.04 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.65 3gtj h VAL 283 CO -0.04 0.05 -0.42 0.40 -1.23 0.00 0.00 177.57 176.33 3gtj h ILE 284 N 0.29 1.28 0.03 7.19 1.08 -1.76 -2.93 117.51 122.70 3gtj h ILE 284 Ca 0.33 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3gtj h ILE 284 Cb 0.89 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 3gtj h ILE 284 CO -0.08 0.53 -0.02 0.40 -0.69 0.00 0.00 178.15 178.29 3gtj h ILE 285 N 0.70 1.05 -0.85 -0.67 1.08 -0.38 0.83 117.51 119.28 3gtj h ILE 285 Ca 0.05 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3gtj h ILE 285 Cb 1.01 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.94 3gtj h ILE 285 CO 0.10 0.07 0.55 -0.26 -0.69 0.00 0.00 178.15 177.92 3gtj h PHE 286 N -0.16 1.03 -0.49 1.37 -1.00 -1.34 -0.85 116.94 115.50 3gtj h PHE 286 Ca -0.00 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 3gtj h PHE 286 Cb 0.15 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3gtj h PHE 286 CO -0.04 0.60 -0.13 0.00 -1.61 0.00 0.00 178.31 177.13 3gtj h ARG 287 N 1.07 0.93 0.00 1.51 3.08 -1.32 -1.12 114.38 118.53 3gtj h ARG 287 Ca 0.34 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gtj h ARG 287 Cb -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3gtj h ARG 287 CO -0.11 1.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.79 3gtj n ALA 288 N -2.50 1.35 -0.01 0.04 0.00 0.27 -3.65 120.51 116.01 3gtj n ALA 288 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gtj n ALA 288 Cb 0.40 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 3gtj n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gtj h LEU 289 N 0.00 0.00 0.00 0.00 3.38 0.08 -3.47 115.31 115.30 3gtj h LEU 289 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gtj h LEU 289 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gtj h LEU 289 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3gtj n GLY 290 N 1.78 0.00 3.58 0.83 0.00 -0.92 -5.00 105.19 105.45 3gtj n GLY 290 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3gtj n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtj s ILE 291 N 0.00 4.74 -0.15 -0.61 1.09 -0.99 -5.01 121.20 120.27 3gtj s ILE 291 Ca 0.00 -0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.40 3gtj s ILE 291 Cb 0.00 -3.18 -0.07 0.00 -1.06 0.00 0.00 42.46 38.16 3gtj s ILE 291 CO 0.00 0.39 -0.25 -0.38 -0.10 0.00 0.00 174.94 174.60 3gtj n ILE 292 N 4.15 1.23 -2.78 2.92 2.08 -1.26 -2.74 119.36 122.96 3gtj n ILE 292 Ca -0.16 -0.05 -0.40 0.00 0.56 0.00 0.00 62.75 62.70 3gtj n ILE 292 Cb 0.52 -1.93 -0.06 0.00 -0.75 0.00 0.00 39.64 37.42 3gtj n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3gtj s PRO 293 N -2.48 4.82 0.99 0.38 0.05 -1.26 -4.88 135.00 132.61 3gtj s PRO 293 Ca -0.24 1.44 -0.17 0.00 0.05 0.00 0.00 61.00 62.08 3gtj s PRO 293 Cb 0.07 -3.28 -0.07 0.00 0.05 0.00 0.00 34.50 31.27 3gtj s PRO 293 CO 0.33 0.52 -0.39 -0.25 0.05 0.00 0.00 177.00 177.26 3gtj n ASP 294 N 1.55 -4.13 0.00 6.66 10.43 -1.26 -2.06 116.55 127.74 3gtj n ASP 294 Ca -0.02 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.53 3gtj n ASP 294 Cb 0.47 -0.91 0.00 0.00 1.84 0.00 0.00 41.12 42.52 3gtj n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gtj n GLY 295 N 2.68 2.02 0.12 0.44 0.00 -1.26 -4.19 105.19 105.01 3gtj n GLY 295 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3gtj n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gtj h GLU 296 N 0.00 0.23 -0.20 1.61 4.81 -1.92 -3.30 114.58 115.81 3gtj h GLU 296 Ca 0.00 -0.38 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 3gtj h GLU 296 Cb 0.00 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3gtj h GLU 296 CO 0.00 1.05 -0.02 0.82 -0.73 0.00 0.00 179.01 180.14 3gtj h ILE 297 N 0.06 0.84 0.00 2.32 1.08 -1.58 -2.42 117.51 117.81 3gtj h ILE 297 Ca -0.32 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3gtj h ILE 297 Cb 2.03 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 3gtj h ILE 297 CO 0.13 0.01 0.00 0.18 -0.69 0.00 0.00 178.15 177.77 3gtj n LEU 298 N -5.16 0.64 0.18 1.44 4.77 -1.26 -1.62 117.00 115.99 3gtj n LEU 298 Ca -0.02 0.72 0.10 0.00 -0.03 0.00 0.00 56.01 56.77 3gtj n LEU 298 Cb 0.11 -0.70 0.10 0.00 -2.33 0.00 0.00 43.42 40.60 3gtj n LEU 298 CO 0.26 -0.76 0.55 -0.33 -1.33 0.00 0.00 177.39 175.78 3gtj h GLU 299 N 0.00 0.00 0.01 3.23 4.39 -1.50 -1.58 114.58 119.13 3gtj h GLU 299 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 3gtj h GLU 299 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3gtj h GLU 299 CO 0.00 0.10 -0.95 0.45 -1.16 0.00 0.00 179.01 177.45 3gtj h HIS 300 N 0.00 0.08 0.00 4.33 3.86 -1.32 -3.42 115.15 118.68 3gtj h HIS 300 Ca -0.01 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3gtj h HIS 300 Cb 1.09 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3gtj h HIS 300 CO 0.00 0.96 0.00 -0.89 0.86 0.00 0.00 177.93 178.86 3gtj n ILE 301 N -3.47 0.00 -2.67 2.45 5.41 -1.18 -4.34 119.36 115.56 3gtj n ILE 301 Ca -0.01 0.29 -0.38 0.00 1.00 0.00 0.00 62.75 63.64 3gtj n ILE 301 Cb 0.88 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.72 3gtj n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtj n TYR 303 N 0.69 0.00 -3.80 0.00 0.53 -1.26 -4.34 117.16 108.98 3gtj n TYR 303 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.53 3gtj n TYR 303 Cb 0.49 -0.37 -0.12 0.00 -1.03 0.00 0.00 39.34 38.31 3gtj n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3gtj s ASP 304 N -3.72 5.18 0.00 7.72 2.15 -1.26 -4.54 116.67 122.19 3gtj s ASP 304 Ca -0.05 -1.66 0.09 0.00 0.43 0.00 0.00 52.55 51.36 3gtj s ASP 304 Cb 0.06 -1.81 0.54 0.00 -0.30 0.00 0.00 42.92 41.42 3gtj s ASP 304 CO 0.49 -0.43 0.98 0.52 -0.17 0.00 0.00 175.17 176.56 3gtj n VAL 305 N 4.65 0.00 -0.04 1.11 0.31 -1.26 -2.80 118.33 120.30 3gtj n VAL 305 Ca -0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3gtj n VAL 305 Cb 0.42 -0.56 -0.00 0.00 -0.91 0.00 0.00 33.84 32.79 3gtj n VAL 305 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3gtj h ASN 306 N 0.00 -0.02 -1.20 4.52 2.35 -2.02 -3.45 115.58 115.76 3gtj h ASN 306 Ca 0.00 -0.01 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 3gtj h ASN 306 Cb 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3gtj h ASN 306 CO 0.00 0.48 1.01 -1.81 -1.65 0.00 0.00 177.43 175.45 3gtj s ASP 307 N -5.52 5.38 0.13 5.81 1.01 -1.12 -4.89 116.67 117.46 3gtj s ASP 307 Ca -0.01 -0.47 -0.19 0.00 0.71 0.00 0.00 52.55 52.60 3gtj s ASP 307 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3gtj s ASP 307 CO 0.02 -2.46 1.78 4.11 0.21 0.00 0.00 175.17 178.83 3gtj h TRP 308 N 12.07 0.30 -0.89 4.23 5.08 -1.87 -3.24 115.95 131.64 3gtj h TRP 308 Ca -0.01 0.01 0.24 0.00 1.08 0.00 0.00 58.89 60.21 3gtj h TRP 308 Cb 1.05 -0.10 -0.14 0.00 -3.00 0.00 0.00 29.16 26.97 3gtj h TRP 308 CO 1.17 0.20 0.26 1.96 -1.28 0.00 0.00 178.44 180.75 3gtj h GLN 309 N 0.32 0.21 -0.26 0.12 4.20 -1.97 2.03 115.11 119.76 3gtj h GLN 309 Ca 0.09 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3gtj h GLN 309 Cb -0.03 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 3gtj h GLN 309 CO -0.02 0.14 -0.26 1.98 -0.67 0.00 0.00 178.83 180.00 3gtj h MET 310 N 0.21 -0.13 -0.44 1.46 4.05 -1.99 -1.13 114.93 116.96 3gtj h MET 310 Ca 0.57 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 60.07 3gtj h MET 310 Cb 1.16 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.93 3gtj h MET 310 CO -0.66 -0.08 0.06 -0.07 0.23 0.00 0.00 176.91 176.38 3gtj h LEU 311 N -0.13 -0.06 -0.69 3.39 3.38 0.28 -0.33 115.31 121.15 3gtj h LEU 311 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gtj h LEU 311 Cb 0.25 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gtj h LEU 311 CO -0.32 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.42 3gtj n GLU 312 N -5.14 0.09 0.20 1.13 4.07 0.16 -0.19 120.64 120.96 3gtj n GLU 312 Ca 0.04 0.52 0.09 0.00 -0.06 0.00 0.00 57.16 57.74 3gtj n GLU 312 Cb 0.22 -1.74 0.22 0.00 -0.06 0.00 0.00 31.44 30.08 3gtj n GLU 312 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3gtj h MET 313 N 0.00 0.00 0.00 5.31 2.86 0.24 -3.35 114.93 119.99 3gtj h MET 313 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gtj h MET 313 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3gtj h MET 313 CO 0.00 0.23 -1.19 1.28 1.06 0.00 0.00 176.91 178.28 3gtj n LEU 314 N -3.20 0.66 -0.32 1.22 4.77 0.74 -4.35 117.00 116.51 3gtj n LEU 314 Ca 0.02 -0.24 0.20 0.00 -0.03 0.00 0.00 56.01 55.96 3gtj n LEU 314 Cb 0.56 -0.04 0.41 0.00 -2.33 0.00 0.00 43.42 42.02 3gtj n LEU 314 CO 0.36 0.14 1.04 0.11 -1.33 0.00 0.00 177.39 177.70 3gtj h LYS 315 N 0.00 0.24 -0.29 3.23 1.57 -1.69 -1.35 116.57 118.28 3gtj h LYS 315 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3gtj h LYS 315 Cb 0.67 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3gtj h LYS 315 CO 0.00 0.16 0.13 -1.35 -0.57 0.00 0.00 179.45 177.83 3gtj h PRO 316 N 0.25 0.40 0.10 3.15 0.11 -1.86 -2.24 132.00 131.91 3gtj h PRO 316 Ca 0.67 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.74 3gtj h PRO 316 Cb 1.50 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3gtj h PRO 316 CO -0.65 0.32 -0.05 0.00 -0.21 0.00 0.00 178.00 177.42 3gtj h VAL 318 N -0.89 0.16 0.00 0.00 2.07 -1.52 0.12 116.25 116.18 3gtj h VAL 318 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3gtj h VAL 318 Cb 0.56 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3gtj h VAL 318 CO 0.02 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 3gtj n GLU 319 N -5.43 0.09 -0.00 1.57 1.02 -0.85 0.62 120.64 117.66 3gtj n GLU 319 Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 3gtj n GLU 319 Cb 0.36 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3gtj n GLU 319 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gtj n ASP 320 N -0.94 0.69 -0.31 1.62 -0.08 0.39 -4.62 116.55 113.30 3gtj n ASP 320 Ca 0.02 -0.79 0.03 0.00 -1.51 0.00 0.00 54.79 52.54 3gtj n ASP 320 Cb 0.01 1.03 0.07 0.00 2.34 0.00 0.00 41.12 44.57 3gtj n ASP 320 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtj n GLY 321 N 1.34 2.52 0.00 0.27 0.00 0.20 -4.58 105.19 104.94 3gtj n GLY 321 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3gtj n GLY 321 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gtj n PHE 322 N 0.04 0.00 0.10 1.61 1.16 -1.18 -1.64 117.46 117.54 3gtj n PHE 322 Ca 0.06 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.74 3gtj n PHE 322 Cb 0.32 -0.14 -0.01 0.00 -1.61 0.00 0.00 39.48 38.04 3gtj n PHE 322 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3gtj h VAL 323 N 0.00 0.05 -3.43 1.97 2.07 -1.91 -3.43 116.25 111.56 3gtj h VAL 323 Ca 0.00 -1.10 -0.57 0.00 0.82 0.00 0.00 66.70 65.85 3gtj h VAL 323 Cb 0.06 1.56 -0.38 0.00 -1.52 0.00 0.00 31.29 31.01 3gtj h VAL 323 CO 0.00 0.03 -0.78 -0.63 0.02 0.00 0.00 177.57 176.21 3gtj s ILE 324 N -3.32 1.12 -0.10 4.57 1.01 -0.65 -4.98 121.20 118.84 3gtj s ILE 324 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3gtj s ILE 324 Cb 0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3gtj s ILE 324 CO 0.79 -0.05 0.10 1.67 0.00 0.00 0.00 174.94 177.45 3gtj n GLN 325 N 4.84 4.99 -4.35 2.79 -0.06 -1.26 -4.95 117.38 119.38 3gtj n GLN 325 Ca -0.11 -0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.58 3gtj n GLN 325 Cb 0.46 -0.71 -0.10 0.00 -4.06 0.00 0.00 30.24 25.83 3gtj n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3gtj s ASP 326 N -1.45 4.47 0.11 1.69 1.47 -1.26 -4.90 116.67 116.80 3gtj s ASP 326 Ca 0.01 -0.28 -0.27 0.00 1.18 0.00 0.00 52.55 53.18 3gtj s ASP 326 Cb 0.02 -0.93 -0.09 0.00 -0.34 0.00 0.00 42.92 41.57 3gtj s ASP 326 CO 0.11 0.22 1.46 0.03 0.68 0.00 0.00 175.17 177.67 3gtj h ARG 327 N 4.04 -0.31 0.00 2.11 2.47 -1.97 -2.49 114.38 118.23 3gtj h ARG 327 Ca -0.48 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3gtj h ARG 327 Cb 1.17 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.55 3gtj h ARG 327 CO 0.53 -0.21 -0.01 0.93 0.56 0.00 0.00 179.97 181.77 3gtj h GLU 328 N -0.32 -0.02 -0.32 0.04 5.08 -1.96 -2.16 114.58 114.92 3gtj h GLU 328 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gtj h GLU 328 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3gtj h GLU 328 CO -0.51 -0.01 0.00 0.25 -1.00 0.00 0.00 179.01 177.74 3gtj n THR 329 N -2.54 0.07 0.32 1.13 -2.24 -1.25 -2.94 114.28 106.83 3gtj n THR 329 Ca -0.00 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 3gtj n THR 329 Cb 0.01 -0.13 0.64 0.00 -2.10 0.00 0.00 70.33 68.75 3gtj n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtj h ALA 330 N 2.78 1.00 -0.00 6.98 0.00 -0.90 -2.51 119.26 126.61 3gtj h ALA 330 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gtj h ALA 330 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gtj h ALA 330 CO 0.01 0.00 -0.42 1.28 0.00 0.00 0.00 179.25 180.12 3gtj n LEU 331 N -2.55 0.74 -0.30 0.00 4.32 -1.15 -4.23 117.00 113.83 3gtj n LEU 331 Ca 0.01 -0.58 -0.01 0.00 -0.02 0.00 0.00 56.01 55.41 3gtj n LEU 331 Cb 0.20 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.17 3gtj n LEU 331 CO 0.20 0.16 1.27 -0.78 -1.22 0.00 0.00 177.39 177.02 3gtj h ASP 332 N 0.38 1.01 0.62 -1.43 1.82 -1.61 -2.42 116.42 114.78 3gtj h ASP 332 Ca 0.00 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 3gtj h ASP 332 Cb 0.29 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 3gtj h ASP 332 CO 0.00 0.74 -0.48 0.15 -1.61 0.00 0.00 179.24 178.04 3gtj h PHE 333 N 1.19 0.00 -1.52 0.28 3.57 -1.78 -3.22 116.94 115.47 3gtj h PHE 333 Ca 0.32 0.00 -0.76 0.00 3.53 0.00 0.00 57.97 61.06 3gtj h PHE 333 Cb -0.13 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.44 3gtj h PHE 333 CO 0.00 0.48 1.99 -0.89 -2.23 0.00 0.00 178.31 177.66 3gtj n ILE 334 N -3.78 5.05 -2.58 1.41 -0.00 -0.91 -4.36 119.36 114.19 3gtj n ILE 334 Ca -0.01 -4.68 -0.02 0.00 -0.00 0.00 0.00 62.75 58.03 3gtj n ILE 334 Cb 0.53 -2.11 0.09 0.00 -0.00 0.00 0.00 39.64 38.14 3gtj n ILE 334 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3gtj n GLY 335 N 1.85 1.78 1.45 7.39 0.00 -1.22 -4.70 105.19 111.74 3gtj n GLY 335 Ca 0.50 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3gtj n GLY 335 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gtj n ARG 336 N -1.19 3.15 -0.08 1.61 3.00 -1.26 -4.60 116.66 117.29 3gtj n ARG 336 Ca -0.16 -2.70 -0.09 0.00 -0.00 0.00 0.00 57.85 54.89 3gtj n ARG 336 Cb 0.85 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.57 3gtj n ARG 336 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3gtj h ARG 337 N 4.14 -0.31 -6.10 -0.14 -0.00 -1.90 -3.44 114.38 106.64 3gtj h ARG 337 Ca 0.00 0.02 -0.53 0.00 -0.00 0.00 0.00 59.98 59.47 3gtj h ARG 337 Cb 1.18 0.07 -0.06 0.00 -0.00 0.00 0.00 29.97 31.16 3gtj h ARG 337 CO 0.11 -0.21 -0.49 0.20 -0.00 0.00 0.00 179.97 179.58 3gtj s GLY 338 N -2.77 2.01 -1.34 0.08 0.00 -1.26 -5.02 107.32 99.02 3gtj s GLY 338 Ca -0.15 -1.85 -0.16 0.00 0.00 0.00 0.00 44.72 42.57 3gtj s GLY 338 CO 0.67 -1.74 1.87 -1.30 0.00 0.00 0.00 173.10 172.60 3gtj n THR 339 N -1.27 3.86 -2.25 0.90 -2.24 -1.26 -4.04 114.28 107.98 3gtj n THR 339 Ca -0.01 -3.86 -0.03 0.00 -2.27 0.00 0.00 64.05 57.87 3gtj n THR 339 Cb 0.62 -2.45 0.02 0.00 -2.10 0.00 0.00 70.33 66.42 3gtj n THR 339 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtj n ALA 340 N 7.01 -0.35 -0.84 6.98 0.00 -1.26 -4.89 120.51 127.15 3gtj n ALA 340 Ca 0.48 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 3gtj n ALA 340 Cb 0.43 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 3gtj n ALA 340 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtj n LEU 341 N -1.54 3.05 0.21 0.00 7.99 -1.26 -4.43 117.00 121.02 3gtj n LEU 341 Ca -0.05 -2.38 0.09 0.00 -0.01 0.00 0.00 56.01 53.66 3gtj n LEU 341 Cb 0.53 -0.90 0.41 0.00 -0.11 0.00 0.00 43.42 43.36 3gtj n LEU 341 CO 0.10 -0.77 0.76 1.23 -1.51 0.00 0.00 177.39 177.21 3gtj h GLY 342 N 14.11 0.00 2.00 -0.72 0.00 -1.95 -2.24 103.07 114.26 3gtj h GLY 342 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3gtj h GLY 342 CO 1.87 0.00 0.00 0.29 0.00 0.00 0.00 176.54 178.70 3gtj n ILE 343 N -3.42 1.51 -1.53 2.60 -5.35 -1.26 -2.66 119.36 109.26 3gtj n ILE 343 Ca 0.00 0.56 0.04 0.00 -0.27 0.00 0.00 62.75 63.09 3gtj n ILE 343 Cb 0.46 -1.55 0.20 0.00 -1.74 0.00 0.00 39.64 37.01 3gtj n ILE 343 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3gtj n LYS 344 N -1.83 1.63 -0.34 6.28 2.85 -0.84 -4.82 118.16 121.09 3gtj n LYS 344 Ca -0.00 -3.23 0.21 0.00 -1.05 0.00 0.00 58.31 54.23 3gtj n LYS 344 Cb 0.03 -1.65 0.44 0.00 -0.65 0.00 0.00 35.03 33.21 3gtj n LYS 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3gtj h LYS 345 N 0.94 0.47 -0.02 -1.58 3.11 -1.66 1.52 116.57 119.34 3gtj h LYS 345 Ca 0.04 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3gtj h LYS 345 Cb 1.13 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 3gtj h LYS 345 CO 0.08 0.31 -0.06 0.39 -2.81 0.00 0.00 179.45 177.36 3gtj n GLU 346 N -4.81 2.03 -0.06 1.90 4.71 -1.26 -4.45 120.64 118.69 3gtj n GLU 346 Ca 0.27 -1.59 -0.03 0.00 -0.01 0.00 0.00 57.16 55.80 3gtj n GLU 346 Cb 0.84 -1.47 -0.13 0.00 -1.01 0.00 0.00 31.44 29.67 3gtj n GLU 346 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3gtj n LYS 347 N 0.90 1.09 0.01 3.49 5.02 0.42 -4.04 118.16 125.05 3gtj n LYS 347 Ca 0.14 -0.05 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 3gtj n LYS 347 Cb 0.53 -1.42 0.15 0.00 -0.02 0.00 0.00 35.03 34.26 3gtj n LYS 347 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 3gtj h ARG 348 N 0.00 0.50 -0.17 1.97 0.11 0.12 0.37 114.38 117.28 3gtj h ARG 348 Ca -0.32 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.53 3gtj h ARG 348 Cb 1.68 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.75 3gtj h ARG 348 CO 0.02 0.78 0.11 0.82 0.10 0.00 0.00 179.97 181.80 3gtj h ILE 349 N 0.42 1.03 0.00 0.08 5.03 -1.77 0.40 117.51 122.71 3gtj h ILE 349 Ca 0.05 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 3gtj h ILE 349 Cb 0.81 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3gtj h ILE 349 CO 0.07 0.04 0.00 0.00 -0.68 0.00 0.00 178.15 177.58 3gtj n GLN 350 N -4.98 0.37 0.05 2.37 1.13 -0.96 0.18 117.38 115.53 3gtj n GLN 350 Ca -0.04 0.07 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 3gtj n GLN 350 Cb 0.03 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.74 3gtj n GLN 350 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3gtj h TYR 351 N 0.00 0.61 -0.10 1.08 5.03 0.70 -3.38 116.97 120.91 3gtj h TYR 351 Ca 0.00 -0.44 -0.21 0.00 2.58 0.00 0.00 58.73 60.66 3gtj h TYR 351 Cb 0.19 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.44 3gtj h TYR 351 CO 0.00 1.61 -0.79 0.00 -1.32 0.00 0.00 178.16 177.66 3gtj h ALA 352 N 0.05 0.44 -0.88 1.82 0.00 0.16 -3.18 119.26 117.66 3gtj h ALA 352 Ca -0.32 -0.62 0.11 0.00 0.00 0.00 0.00 54.91 54.08 3gtj h ALA 352 Cb 1.94 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 3gtj h ALA 352 CO 0.13 0.73 0.51 -0.22 0.00 0.00 0.00 179.25 180.41 3gtj h LYS 353 N 0.38 0.80 0.00 0.00 3.11 0.17 -1.48 116.57 119.55 3gtj h LYS 353 Ca -0.05 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3gtj h LYS 353 Cb 1.39 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3gtj h LYS 353 CO 0.15 0.53 -0.71 0.38 -2.81 0.00 0.00 179.45 176.99 3gtj h ASP 354 N 0.83 0.00 0.19 4.20 2.03 -1.74 -3.31 116.42 118.61 3gtj h ASP 354 Ca 0.44 -0.22 -0.08 0.00 -0.73 0.00 0.00 57.03 56.44 3gtj h ASP 354 Cb 0.44 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 3gtj h ASP 354 CO -0.27 0.11 -0.30 0.40 -1.03 0.00 0.00 179.24 178.15 3gtj h ILE 355 N 0.00 1.25 -0.30 4.15 2.04 -1.25 0.15 117.51 123.54 3gtj h ILE 355 Ca 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3gtj h ILE 355 Cb 0.76 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3gtj h ILE 355 CO 0.00 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.69 3gtj n LEU 356 N -4.13 3.17 -0.07 1.44 4.77 -1.06 -2.01 117.00 119.11 3gtj n LEU 356 Ca -0.01 -1.60 -0.09 0.00 -0.03 0.00 0.00 56.01 54.28 3gtj n LEU 356 Cb 0.38 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3gtj n LEU 356 CO 0.40 0.45 -0.95 0.00 -1.33 0.00 0.00 177.39 175.96 3gtj n GLN 357 N 0.36 0.95 -0.01 3.23 6.02 0.37 -4.85 117.38 123.45 3gtj n GLN 357 Ca 0.14 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 3gtj n GLN 357 Cb 0.66 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.62 3gtj n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtj n LYS 358 N -2.76 0.18 0.20 -1.09 5.02 -0.30 -4.40 118.16 115.00 3gtj n LYS 358 Ca -0.24 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.20 3gtj n LYS 358 Cb 0.81 -0.74 0.35 0.00 -0.02 0.00 0.00 35.03 35.42 3gtj n LYS 358 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gtj h GLU 359 N -0.33 0.00 -5.19 1.97 4.39 -1.61 -3.26 114.58 110.54 3gtj h GLU 359 Ca 0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 3gtj h GLU 359 Cb 0.33 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.82 3gtj h GLU 359 CO 0.00 0.32 0.06 0.12 -1.16 0.00 0.00 179.01 178.34 3gtj s PHE 360 N -3.54 3.07 -0.82 4.33 5.36 -0.92 -4.58 117.98 120.88 3gtj s PHE 360 Ca 0.01 -0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 55.70 3gtj s PHE 360 Cb 0.10 -3.35 -0.00 0.00 -0.34 0.00 0.00 43.02 39.43 3gtj s PHE 360 CO 0.67 -0.91 0.65 1.28 -1.46 0.00 0.00 175.22 175.46 3gtj n LEU 361 N 6.16 -3.78 0.30 6.12 4.32 -1.26 -4.75 117.00 124.11 3gtj n LEU 361 Ca -0.04 -0.64 0.17 0.00 -0.02 0.00 0.00 56.01 55.48 3gtj n LEU 361 Cb 0.47 -2.32 0.95 0.00 -1.62 0.00 0.00 43.42 40.90 3gtj n LEU 361 CO 0.53 -0.17 1.10 -0.65 -1.22 0.00 0.00 177.39 176.98 3gtj h PRO 362 N -0.16 0.00 0.00 3.23 0.11 -1.79 -3.40 132.00 129.99 3gtj h PRO 362 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gtj h PRO 362 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gtj h PRO 362 CO 0.35 0.03 0.00 -2.39 -0.21 0.00 0.00 178.00 175.78 3gtj n HIS 363 N -3.55 -2.39 0.00 0.65 1.44 -1.26 -4.15 115.22 105.97 3gtj n HIS 363 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3gtj n HIS 363 Cb 0.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.24 3gtj n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3gtj n ILE 364 N -1.16 0.00 0.00 0.61 2.08 -1.26 -4.61 119.36 115.02 3gtj n ILE 364 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3gtj n ILE 364 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3gtj n ILE 364 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3gtj n THR 365 N 0.00 0.00 -2.02 1.39 5.66 -1.26 -5.06 114.28 113.00 3gtj n THR 365 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3gtj n THR 365 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3gtj n THR 365 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 3gtj n GLN 366 N -0.20 0.00 -0.32 1.09 7.27 -1.26 -4.52 117.38 119.44 3gtj n GLN 366 Ca 0.00 -0.91 0.00 0.00 0.07 0.00 0.00 57.00 56.16 3gtj n GLN 366 Cb 0.00 -0.42 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3gtj n GLN 366 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3gtj n LEU 367 N 0.02 0.00 -0.05 1.69 4.77 -1.26 -4.72 117.00 117.45 3gtj n LEU 367 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3gtj n LEU 367 Cb 0.69 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.77 3gtj n LEU 367 CO -0.00 -0.26 -0.18 -0.08 -1.33 0.00 0.00 177.39 175.55 3gtj h GLU 368 N 0.00 0.00 -2.46 3.23 4.81 -1.99 -3.43 114.58 114.75 3gtj h GLU 368 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 3gtj h GLU 368 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3gtj h GLU 368 CO 0.00 0.00 0.43 0.41 -0.73 0.00 0.00 179.01 179.12 3gtj n GLY 369 N 1.71 2.64 2.69 1.92 0.00 -1.26 -4.70 105.19 108.19 3gtj n GLY 369 Ca -0.04 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 3gtj n GLY 369 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtj s PHE 370 N 1.81 -0.10 0.00 1.61 0.40 -1.26 -4.98 117.98 115.45 3gtj s PHE 370 Ca 0.49 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 3gtj s PHE 370 Cb 0.21 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 43.23 3gtj s PHE 370 CO -0.01 -0.62 0.00 0.39 0.70 0.00 0.00 175.22 175.69 3gtj n GLU 371 N 5.30 0.00 0.03 0.44 4.71 -1.26 -4.72 120.64 125.13 3gtj n GLU 371 Ca -0.06 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.18 3gtj n GLU 371 Cb 0.49 -0.75 0.37 0.00 -1.01 0.00 0.00 31.44 30.54 3gtj n GLU 371 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3gtj n SER 372 N -2.03 0.16 -0.00 1.62 3.41 -1.26 -1.75 113.62 113.77 3gtj n SER 372 Ca 0.00 0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 58.97 3gtj n SER 372 Cb 0.26 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 3gtj n SER 372 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gtj h ARG 373 N 0.00 0.64 0.00 4.33 2.47 -1.94 -3.23 114.38 116.65 3gtj h ARG 373 Ca 0.00 -0.59 -0.10 0.00 -1.26 0.00 0.00 59.98 58.03 3gtj h ARG 373 Cb 0.30 0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3gtj h ARG 373 CO 0.00 1.20 -0.98 0.87 0.56 0.00 0.00 179.97 181.62 3gtj h LYS 374 N 0.29 0.00 0.13 0.04 1.57 -1.76 -3.32 116.57 113.51 3gtj h LYS 374 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gtj h LYS 374 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 3gtj h LYS 374 CO 0.15 0.24 -0.06 0.00 -0.57 0.00 0.00 179.45 179.21 3gtj h ALA 375 N 1.63 -0.17 -0.41 3.86 0.00 -1.47 0.80 119.26 123.50 3gtj h ALA 375 Ca -0.07 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.72 3gtj h ALA 375 Cb 1.35 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3gtj h ALA 375 CO 0.04 -0.36 0.29 0.74 0.00 0.00 0.00 179.25 179.96 3gtj h PHE 376 N -0.64 0.11 0.06 0.00 -1.00 -1.70 0.36 116.94 114.12 3gtj h PHE 376 Ca -0.02 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 3gtj h PHE 376 Cb 0.49 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.02 3gtj h PHE 376 CO 0.07 0.05 -0.03 0.35 -1.61 0.00 0.00 178.31 177.14 3gtj h PHE 377 N 0.10 -0.08 -1.24 -0.55 3.57 -1.64 -1.98 116.94 115.12 3gtj h PHE 377 Ca 0.19 -0.00 0.37 0.00 3.53 0.00 0.00 57.97 62.06 3gtj h PHE 377 Cb 0.64 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.30 3gtj h PHE 377 CO -0.00 -0.05 0.83 1.25 -2.23 0.00 0.00 178.31 178.11 3gtj h LEU 378 N -0.90 0.25 -0.77 0.59 5.85 -0.60 2.40 115.31 122.13 3gtj h LEU 378 Ca -0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gtj h LEU 378 Cb 0.06 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3gtj h LEU 378 CO 0.01 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.68 3gtj n GLY 379 N -1.58 -0.04 0.05 3.75 0.00 0.12 -2.88 105.19 104.61 3gtj n GLY 379 Ca 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3gtj n GLY 379 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gtj n TYR 380 N 0.07 0.00 -0.25 1.61 9.36 0.79 -3.58 117.16 125.16 3gtj n TYR 380 Ca 0.10 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.29 3gtj n TYR 380 Cb 0.20 -0.46 0.09 0.00 -0.63 0.00 0.00 39.34 38.53 3gtj n TYR 380 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3gtj h MET 381 N 0.00 0.80 -0.40 2.98 2.86 -1.03 -2.68 114.93 117.46 3gtj h MET 381 Ca -0.25 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 3gtj h MET 381 Cb 1.57 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 3gtj h MET 381 CO 0.01 0.53 -0.04 0.82 1.06 0.00 0.00 176.91 179.29 3gtj h ILE 382 N 0.82 1.23 0.00 -1.22 1.08 -1.74 0.12 117.51 117.80 3gtj h ILE 382 Ca 0.29 -0.98 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3gtj h ILE 382 Cb 0.08 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3gtj h ILE 382 CO -0.13 0.34 -0.17 -1.13 -0.69 0.00 0.00 178.15 176.36 3gtj h ASN 383 N 0.62 0.00 0.00 1.72 -1.24 -1.65 -2.67 115.58 112.37 3gtj h ASN 383 Ca 0.12 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 3gtj h ASN 383 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 3gtj h ASN 383 CO 0.02 0.17 -0.30 0.03 -1.29 0.00 0.00 177.43 176.06 3gtj h ARG 384 N 0.00 0.00 -1.17 6.67 2.47 -1.04 -2.28 114.38 119.03 3gtj h ARG 384 Ca -0.00 0.00 0.34 0.00 -1.26 0.00 0.00 59.98 59.06 3gtj h ARG 384 Cb 0.45 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 3gtj h ARG 384 CO 0.02 0.47 0.98 1.25 0.56 0.00 0.00 179.97 183.26 3gtj h LEU 385 N -1.00 0.00 0.00 3.04 5.85 -0.78 -1.49 115.31 120.92 3gtj h LEU 385 Ca -0.06 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.28 3gtj h LEU 385 Cb 0.61 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 3gtj h LEU 385 CO -0.04 0.00 -2.43 0.18 -0.34 0.00 0.00 178.44 175.81 3gtj n LEU 386 N -3.81 1.72 0.00 2.25 4.77 -1.01 -3.48 117.00 117.44 3gtj n LEU 386 Ca 0.25 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3gtj n LEU 386 Cb 1.36 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3gtj n LEU 386 CO 0.35 0.75 0.41 -0.11 -1.33 0.00 0.00 177.39 177.46 3gtj n LEU 387 N -3.05 0.00 -0.07 2.23 7.94 -0.59 -1.27 117.00 122.19 3gtj n LEU 387 Ca -0.40 0.30 -0.09 0.00 -1.11 0.00 0.00 56.01 54.71 3gtj n LEU 387 Cb 1.06 -0.30 -0.07 0.00 0.53 0.00 0.00 43.42 44.65 3gtj n LEU 387 CO 0.33 -0.30 -0.93 0.00 -1.11 0.00 0.00 177.39 175.38 3gtj h ALA 389 N 0.08 1.07 -0.01 0.00 0.00 -1.22 0.76 119.26 119.95 3gtj h ALA 389 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gtj h ALA 389 Cb 1.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3gtj h ALA 389 CO -0.04 0.04 -0.35 1.28 0.00 0.00 0.00 179.25 180.18 3gtj n LEU 390 N -3.23 0.86 -2.63 0.00 4.77 -1.01 -4.97 117.00 110.79 3gtj n LEU 390 Ca -0.01 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 3gtj n LEU 390 Cb 0.21 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3gtj n LEU 390 CO 0.25 0.17 0.06 0.47 -1.33 0.00 0.00 177.39 177.01 3gtj n ASP 391 N -0.94 -3.00 -0.03 -1.43 9.92 0.26 -4.97 116.55 116.36 3gtj n ASP 391 Ca 0.10 -0.43 0.04 0.00 -0.53 0.00 0.00 54.79 53.96 3gtj n ASP 391 Cb 0.34 -3.59 -0.13 0.00 -0.64 0.00 0.00 41.12 37.10 3gtj n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gtj n ARG 392 N -2.94 0.79 -4.10 -1.24 1.74 -1.19 -5.00 116.66 104.71 3gtj n ARG 392 Ca -0.15 -0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 3gtj n ARG 392 Cb 0.60 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 3gtj n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gtj s LYS 393 N -2.92 0.65 0.97 5.56 -0.14 -1.08 -5.06 119.74 117.72 3gtj s LYS 393 Ca -0.07 -1.00 -0.12 0.00 -1.36 0.00 0.00 55.97 53.43 3gtj s LYS 393 Cb 0.09 -0.24 0.13 0.00 -1.68 0.00 0.00 37.83 36.13 3gtj s LYS 393 CO 0.67 0.02 0.83 -0.25 -0.76 0.00 0.00 175.35 175.86 3gtj n ASP 394 N 0.83 -0.84 -4.75 2.83 8.00 -1.26 -4.62 116.55 116.74 3gtj n ASP 394 Ca -0.18 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 3gtj n ASP 394 Cb 0.57 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.45 3gtj n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3gtj s GLN 395 N -4.23 1.87 -0.04 -1.24 0.74 -1.26 -4.96 119.66 110.55 3gtj s GLN 395 Ca 0.63 1.00 -0.28 0.00 0.05 0.00 0.00 55.36 56.76 3gtj s GLN 395 Cb -0.22 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.00 3gtj s GLN 395 CO 0.62 -1.86 0.92 -0.51 -0.55 0.00 0.00 175.29 173.91 3gtj s ASP 396 N -3.45 7.24 0.23 6.67 1.01 -0.59 -5.02 116.67 122.76 3gtj s ASP 396 Ca 0.62 1.51 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 3gtj s ASP 396 Cb -0.17 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 3gtj s ASP 396 CO 0.56 -0.27 1.16 -0.62 0.21 0.00 0.00 175.17 176.22 3gtj s ASP 397 N 0.99 7.14 0.04 0.27 -1.08 -1.26 -4.90 116.67 117.87 3gtj s ASP 397 Ca 0.48 2.26 0.22 0.00 -0.52 0.00 0.00 52.55 54.99 3gtj s ASP 397 Cb -0.20 -2.62 -0.19 0.00 -1.46 0.00 0.00 42.92 38.46 3gtj s ASP 397 CO 0.23 -0.29 0.73 0.54 0.52 0.00 0.00 175.17 176.90 3gtj n ARG 398 N 1.94 0.56 -1.09 4.34 1.74 -1.26 -4.31 116.66 118.58 3gtj n ARG 398 Ca 0.02 -0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.86 3gtj n ARG 398 Cb 0.45 -1.61 0.18 0.00 -1.02 0.00 0.00 32.46 30.45 3gtj n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gtj n ASP 399 N -2.29 3.53 -4.73 0.55 8.00 -1.26 -4.96 116.55 115.38 3gtj n ASP 399 Ca -0.02 -3.71 -0.39 0.00 0.71 0.00 0.00 54.79 51.38 3gtj n ASP 399 Cb 0.53 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 3gtj n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gtj s HIS 400 N -3.33 3.63 -0.72 1.24 2.46 -1.26 -4.89 115.29 112.42 3gtj s HIS 400 Ca 0.52 1.26 0.26 0.00 0.47 0.00 0.00 55.06 57.57 3gtj s HIS 400 Cb 0.45 -2.74 0.84 0.00 -0.13 0.00 0.00 32.58 31.00 3gtj s HIS 400 CO 0.05 0.20 1.78 0.34 -2.47 0.00 0.00 174.74 174.64 3gtj n PHE 401 N 3.29 0.89 1.43 3.88 7.35 -1.26 -2.64 117.46 130.40 3gtj n PHE 401 Ca -0.03 0.27 0.15 0.00 -0.76 0.00 0.00 57.45 57.07 3gtj n PHE 401 Cb 0.51 -0.93 0.69 0.00 0.35 0.00 0.00 39.48 40.10 3gtj n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gtj n GLY 402 N 1.20 -1.13 1.59 7.13 0.00 -1.26 -3.71 105.19 109.01 3gtj n GLY 402 Ca 0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3gtj n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gtj n LYS 403 N -1.14 2.82 -3.67 1.61 5.02 -1.08 -4.62 118.16 117.10 3gtj n LYS 403 Ca 0.14 -3.77 -0.15 0.00 -2.02 0.00 0.00 58.31 52.52 3gtj n LYS 403 Cb 0.25 -2.06 -0.08 0.00 -0.02 0.00 0.00 35.03 33.12 3gtj n LYS 403 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3gtj s LYS 404 N -3.49 0.76 0.38 1.97 -2.85 -1.24 -2.76 119.74 112.51 3gtj s LYS 404 Ca 0.48 0.23 0.08 0.00 -1.00 0.00 0.00 55.97 55.76 3gtj s LYS 404 Cb 0.41 0.35 -0.07 0.00 -2.06 0.00 0.00 37.83 36.47 3gtj s LYS 404 CO 0.00 -0.19 0.03 1.03 0.10 0.00 0.00 175.35 176.32 3gtj s ARG 405 N -0.77 2.02 -0.21 1.78 1.81 -0.63 -4.72 118.95 118.24 3gtj s ARG 405 Ca -0.08 -1.94 0.02 0.00 -1.72 0.00 0.00 55.73 52.01 3gtj s ARG 405 Cb -0.03 -1.80 0.04 0.00 -0.45 0.00 0.00 34.95 32.72 3gtj s ARG 405 CO 0.05 0.01 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.04 3gtj s LEU 406 N -3.74 2.62 -0.98 2.53 1.43 -1.04 -2.29 118.68 117.21 3gtj s LEU 406 Ca 0.36 -1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.22 3gtj s LEU 406 Cb 0.05 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3gtj s LEU 406 CO 0.19 -0.13 1.44 -1.81 0.23 0.00 0.00 176.35 176.28 3gtj s ASP 407 N 1.28 6.40 1.11 2.29 1.01 0.40 -4.70 116.67 124.46 3gtj s ASP 407 Ca -0.02 -1.28 -0.19 0.00 0.71 0.00 0.00 52.55 51.77 3gtj s ASP 407 Cb -0.17 -2.57 0.26 0.00 1.01 0.00 0.00 42.92 41.46 3gtj s ASP 407 CO -0.08 -1.60 1.24 0.18 0.21 0.00 0.00 175.17 175.12 3gtj n LEU 408 N 9.14 0.00 -0.30 1.23 7.99 -1.26 -2.16 117.00 131.64 3gtj n LEU 408 Ca 0.29 -1.35 0.10 0.00 -0.01 0.00 0.00 56.01 55.04 3gtj n LEU 408 Cb 0.51 -1.02 0.26 0.00 -0.11 0.00 0.00 43.42 43.06 3gtj n LEU 408 CO 0.67 -1.76 1.08 0.00 -1.51 0.00 0.00 177.39 175.86 3gtj h ALA 409 N -2.20 1.36 -2.95 -1.18 0.00 -1.90 -0.77 119.26 111.63 3gtj h ALA 409 Ca -0.43 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gtj h ALA 409 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gtj h ALA 409 CO 0.29 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3gtj n GLY 410 N -1.33 -3.11 0.37 0.00 0.00 -1.26 -1.56 105.19 98.30 3gtj n GLY 410 Ca 0.19 0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.56 3gtj n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gtj h PRO 411 N 0.00 0.00 0.67 1.61 0.11 -1.84 0.13 132.00 132.68 3gtj h PRO 411 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3gtj h PRO 411 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3gtj h PRO 411 CO 0.00 0.00 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.40 3gtj h LEU 412 N 0.00 -0.76 -0.55 2.35 3.38 -1.11 -1.84 115.31 116.77 3gtj h LEU 412 Ca 0.10 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3gtj h LEU 412 Cb 1.04 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3gtj h LEU 412 CO -0.00 -0.44 0.09 -0.07 0.09 0.00 0.00 178.44 178.11 3gtj h LEU 413 N -1.09 -0.06 -0.37 1.67 3.38 0.20 -2.75 115.31 116.29 3gtj h LEU 413 Ca -0.09 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3gtj h LEU 413 Cb 0.73 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 3gtj h LEU 413 CO 0.15 -0.01 -0.52 0.00 0.09 0.00 0.00 178.44 178.15 3gtj h ALA 414 N 1.45 -0.76 0.00 1.53 0.00 -0.85 0.81 119.26 121.44 3gtj h ALA 414 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gtj h ALA 414 Cb 0.42 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gtj h ALA 414 CO -0.39 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 177.85 3gtj n GLN 415 N -5.20 0.43 -0.11 0.00 10.64 -0.70 -0.87 117.38 121.56 3gtj n GLN 415 Ca -0.03 0.05 -0.19 0.00 -1.83 0.00 0.00 57.00 54.99 3gtj n GLN 415 Cb 0.32 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.13 3gtj n GLN 415 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3gtj n LEU 416 N -1.10 1.95 -0.19 2.61 7.94 -0.02 -4.24 117.00 123.95 3gtj n LEU 416 Ca 0.11 0.34 -0.07 0.00 -1.11 0.00 0.00 56.01 55.28 3gtj n LEU 416 Cb 0.08 -0.79 0.02 0.00 0.53 0.00 0.00 43.42 43.27 3gtj n LEU 416 CO 0.11 0.15 1.07 0.15 -1.11 0.00 0.00 177.39 177.76 3gtj h PHE 417 N -1.00 0.70 -0.68 1.96 3.57 0.15 0.11 116.94 121.75 3gtj h PHE 417 Ca -0.35 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.28 3gtj h PHE 417 Cb 1.30 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 39.71 3gtj h PHE 417 CO -0.25 0.47 0.18 -0.22 -2.23 0.00 0.00 178.31 176.26 3gtj h LYS 418 N 0.73 0.29 -0.15 1.11 3.64 -1.22 0.52 116.57 121.49 3gtj h LYS 418 Ca 0.19 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 3gtj h LYS 418 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gtj h LYS 418 CO -0.04 0.19 -0.59 1.15 -2.27 0.00 0.00 179.45 177.89 3gtj h THR 419 N 0.30 1.34 0.73 1.00 2.02 -1.37 -2.60 112.91 114.32 3gtj h THR 419 Ca 0.37 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 3gtj h THR 419 Cb 0.58 1.86 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3gtj h THR 419 CO -0.44 0.58 -0.35 -0.07 0.37 0.00 0.00 175.52 175.60 3gtj h LEU 420 N 0.37 -0.83 -0.67 2.58 3.38 0.41 -2.73 115.31 117.82 3gtj h LEU 420 Ca -0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3gtj h LEU 420 Cb 1.14 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 3gtj h LEU 420 CO 0.11 -0.46 -0.13 0.15 0.09 0.00 0.00 178.44 178.20 3gtj h PHE 421 N -1.24 -0.29 0.00 1.13 3.57 -0.03 0.24 116.94 120.32 3gtj h PHE 421 Ca -0.10 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3gtj h PHE 421 Cb 0.76 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3gtj h PHE 421 CO 0.00 -0.27 -0.12 0.87 -2.23 0.00 0.00 178.31 176.56 3gtj h LYS 422 N 0.02 0.00 -0.15 1.11 1.57 -1.54 0.30 116.57 117.88 3gtj h LYS 422 Ca 0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3gtj h LYS 422 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3gtj h LYS 422 CO -0.67 0.12 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.07 3gtj h LYS 423 N 0.00 0.29 -0.23 3.15 3.64 -0.22 -2.89 116.57 120.32 3gtj h LYS 423 Ca -0.00 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3gtj h LYS 423 Cb 0.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gtj h LYS 423 CO 0.02 0.57 -0.25 1.25 -2.27 0.00 0.00 179.45 178.77 3gtj h LEU 424 N -0.01 0.43 -0.74 5.20 6.46 -0.57 -2.74 115.31 123.33 3gtj h LEU 424 Ca 0.04 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3gtj h LEU 424 Cb 0.47 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 3gtj h LEU 424 CO 0.01 0.69 0.48 0.00 -0.62 0.00 0.00 178.44 179.01 3gtj h THR 425 N 0.39 1.16 -0.16 1.05 1.03 -0.43 -1.54 112.91 114.41 3gtj h THR 425 Ca 0.06 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3gtj h THR 425 Cb 0.65 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 3gtj h THR 425 CO 0.05 0.18 0.00 2.29 -0.01 0.00 0.00 175.52 178.02 3gtj n LYS 426 N -4.59 1.50 0.09 0.00 2.85 -1.09 -2.46 118.16 114.46 3gtj n LYS 426 Ca 0.08 -0.77 0.12 0.00 -1.05 0.00 0.00 58.31 56.68 3gtj n LYS 426 Cb 0.04 -1.28 0.11 0.00 -0.65 0.00 0.00 35.03 33.25 3gtj n LYS 426 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gtj h ASP 427 N 1.41 0.00 0.00 -5.58 3.32 -0.98 -3.28 116.42 111.31 3gtj h ASP 427 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3gtj h ASP 427 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3gtj h ASP 427 CO 0.00 0.06 -0.08 0.40 -1.72 0.00 0.00 179.24 177.90 3gtj h ILE 428 N 0.00 0.86 -0.56 0.35 1.08 -1.33 -3.16 117.51 114.75 3gtj h ILE 428 Ca 0.00 -1.67 0.09 0.00 -0.39 0.00 0.00 64.86 62.89 3gtj h ILE 428 Cb 0.86 1.66 -0.10 0.00 -3.07 0.00 0.00 36.82 36.16 3gtj h ILE 428 CO 0.00 0.29 -0.43 0.15 -0.69 0.00 0.00 178.15 177.47 3gtj h PHE 429 N -1.00 -1.26 0.00 1.37 3.57 -1.74 0.27 116.94 118.16 3gtj h PHE 429 Ca -0.02 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3gtj h PHE 429 Cb 0.54 0.63 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3gtj h PHE 429 CO 0.12 -0.42 0.00 0.54 -2.23 0.00 0.00 178.31 176.32 3gtj n ARG 430 N -5.41 0.14 -0.07 1.11 1.74 -1.24 -0.96 116.66 111.97 3gtj n ARG 430 Ca 0.02 0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 57.64 3gtj n ARG 430 Cb 0.35 -1.97 -0.15 0.00 -1.02 0.00 0.00 32.46 29.66 3gtj n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3gtj n TYR 431 N -2.28 0.33 -0.10 -1.55 9.36 0.56 -4.45 117.16 119.04 3gtj n TYR 431 Ca -0.01 0.12 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 3gtj n TYR 431 Cb 0.04 -1.06 -0.04 0.00 -0.63 0.00 0.00 39.34 37.64 3gtj n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3gtj h MET 432 N 0.00 0.68 0.00 2.98 2.86 0.12 -2.76 114.93 118.81 3gtj h MET 432 Ca -0.46 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 3gtj h MET 432 Cb 2.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.83 3gtj h MET 432 CO 0.05 0.94 0.06 0.00 1.06 0.00 0.00 176.91 179.02 3gtj n GLN 433 N -4.31 0.09 -0.24 1.72 10.64 -0.76 -0.35 117.38 124.16 3gtj n GLN 433 Ca -0.04 0.57 0.09 0.00 -1.83 0.00 0.00 57.00 55.80 3gtj n GLN 433 Cb 0.44 -1.86 0.22 0.00 -0.86 0.00 0.00 30.24 28.18 3gtj n GLN 433 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3gtj n ARG 434 N -1.99 2.60 -4.42 2.61 1.74 -1.05 -4.63 116.66 111.53 3gtj n ARG 434 Ca -0.01 -2.28 -0.31 0.00 -0.77 0.00 0.00 57.85 54.48 3gtj n ARG 434 Cb 0.08 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 3gtj n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gtj s THR 435 N -1.08 3.45 -1.24 0.55 2.01 0.53 -4.09 115.64 115.77 3gtj s THR 435 Ca 0.35 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 3gtj s THR 435 Cb 0.19 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 70.18 3gtj s THR 435 CO 0.25 0.29 0.64 0.55 -0.69 0.00 0.00 174.62 175.67 3gtj n VAL 436 N 1.28 -4.14 0.00 3.82 3.14 -1.25 -4.54 118.33 116.64 3gtj n VAL 436 Ca -0.15 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 3gtj n VAL 436 Cb 0.52 -3.24 0.00 0.00 -1.06 0.00 0.00 33.84 30.07 3gtj n VAL 436 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3gtj n GLU 437 N -4.50 0.00 -1.76 1.45 -0.58 -1.26 -5.07 120.64 108.92 3gtj n GLU 437 Ca -0.16 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.27 3gtj n GLU 437 Cb 0.61 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.51 3gtj n GLU 437 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3gtj s GLU 438 N 0.00 3.29 0.00 3.49 8.01 -1.26 -4.94 118.70 127.29 3gtj s GLU 438 Ca 0.00 0.88 0.00 0.00 0.01 0.00 0.00 54.97 55.86 3gtj s GLU 438 Cb 0.00 -2.04 0.00 0.00 -4.31 0.00 0.00 34.13 27.78 3gtj s GLU 438 CO 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 175.26 174.45 3gtj n ALA 439 N -2.84 0.00 -3.07 5.21 0.00 -1.26 -4.66 120.51 113.89 3gtj n ALA 439 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 3gtj n ALA 439 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 3gtj n ALA 439 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gtj s HIS 440 N -0.16 0.99 0.00 0.00 2.46 -1.26 -3.78 115.29 113.53 3gtj s HIS 440 Ca 0.00 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.27 3gtj s HIS 440 Cb 0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 32.58 31.74 3gtj s HIS 440 CO 0.00 -0.11 0.00 -0.25 -2.47 0.00 0.00 174.74 171.91 3gtj n ASP 441 N 3.34 0.00 0.00 9.88 8.00 -1.26 -3.64 116.55 132.86 3gtj n ASP 441 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3gtj n ASP 441 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3gtj n ASP 441 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gtj n PHE 442 N -1.59 0.00 -3.35 1.24 3.72 -1.26 -4.62 117.46 111.61 3gtj n PHE 442 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3gtj n PHE 442 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 3gtj n PHE 442 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3gtj s ASN 443 N 0.00 0.64 -0.30 4.37 0.01 -1.24 -5.15 114.94 113.28 3gtj s ASN 443 Ca 0.00 -0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 51.75 3gtj s ASN 443 Cb 0.00 0.95 0.16 0.00 0.41 0.00 0.00 41.25 42.78 3gtj s ASN 443 CO 0.00 -0.34 1.00 -0.32 -1.51 0.00 0.00 177.10 175.93 3gtj s MET 444 N 2.50 0.30 -0.30 -0.60 -2.45 -1.26 -5.16 119.30 112.33 3gtj s MET 444 Ca 0.10 0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 55.19 3gtj s MET 444 Cb -0.14 0.33 0.18 0.00 1.25 0.00 0.00 34.83 36.44 3gtj s MET 444 CO -0.25 -0.09 0.62 0.15 1.05 0.00 0.00 175.02 176.50 3gtj s LYS 445 N 2.11 0.57 0.00 4.11 3.01 -1.26 -4.40 119.74 123.88 3gtj s LYS 445 Ca -0.04 1.10 0.00 0.00 -1.01 0.00 0.00 55.97 56.02 3gtj s LYS 445 Cb -0.05 0.63 0.00 0.00 -1.01 0.00 0.00 37.83 37.40 3gtj s LYS 445 CO -0.17 -0.52 0.00 -0.11 0.51 0.00 0.00 175.35 175.07 3gtj n LEU 446 N 5.43 0.00 0.19 3.17 7.94 -1.26 -4.46 117.00 128.02 3gtj n LEU 446 Ca -0.04 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.97 3gtj n LEU 446 Cb 0.51 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.59 3gtj n LEU 446 CO 0.01 0.00 0.65 0.00 -1.11 0.00 0.00 177.39 176.95 3gtj h ALA 447 N 0.00 0.90 -1.92 1.96 0.00 -2.02 -3.44 119.26 114.73 3gtj h ALA 447 Ca 0.00 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 3gtj h ALA 447 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3gtj h ALA 447 CO 0.00 0.07 0.98 0.42 0.00 0.00 0.00 179.25 180.72 3gtj s ILE 448 N -3.20 4.12 -1.19 0.00 -1.09 -1.26 -4.88 121.20 113.69 3gtj s ILE 448 Ca 0.06 1.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.64 3gtj s ILE 448 Cb 0.06 -4.19 0.23 0.00 -1.58 0.00 0.00 42.46 36.98 3gtj s ILE 448 CO 0.70 -0.54 1.64 -3.20 -1.23 0.00 0.00 174.94 172.31 3gtj n ASN 449 N 7.80 5.62 -0.37 3.58 2.85 -1.26 -4.85 115.26 128.63 3gtj n ASN 449 Ca 0.15 -3.21 0.30 0.00 -0.11 0.00 0.00 54.58 51.71 3gtj n ASN 449 Cb 0.47 -1.40 0.60 0.00 1.24 0.00 0.00 39.78 40.69 3gtj n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtj h ALA 450 N 5.82 2.58 -1.27 5.20 0.00 -1.92 0.17 119.26 129.84 3gtj h ALA 450 Ca 0.30 0.06 0.39 0.00 0.00 0.00 0.00 54.91 55.66 3gtj h ALA 450 Cb 0.66 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 3gtj h ALA 450 CO 1.45 -1.05 0.83 -0.22 0.00 0.00 0.00 179.25 180.26 3gtj h LYS 451 N 0.22 0.15 0.04 0.00 3.11 -1.97 -2.34 116.57 115.79 3gtj h LYS 451 Ca 0.67 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.51 3gtj h LYS 451 Cb 2.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 33.17 3gtj h LYS 451 CO -0.27 0.10 -0.47 1.15 -2.81 0.00 0.00 179.45 177.14 3gtj h THR 452 N 0.16 0.00 0.00 1.00 2.02 -1.07 0.82 112.91 115.84 3gtj h THR 452 Ca 0.75 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.92 3gtj h THR 452 Cb 2.32 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3gtj h THR 452 CO -0.34 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 175.91 3gtj h ILE 453 N -0.63 0.13 0.30 3.11 2.04 -1.65 -2.68 117.51 118.14 3gtj h ILE 453 Ca 0.00 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3gtj h ILE 453 Cb 0.65 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3gtj h ILE 453 CO -0.29 0.04 -0.15 0.74 0.00 0.00 0.00 178.15 178.49 3gtj h THR 454 N 0.00 0.14 0.00 -0.27 2.02 -1.00 -3.22 112.91 110.59 3gtj h THR 454 Ca -0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3gtj h THR 454 Cb 0.47 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3gtj h THR 454 CO 0.01 0.04 0.00 -1.54 0.37 0.00 0.00 175.52 174.39 3gtj n SER 455 N -5.05 0.68 0.09 4.18 3.41 0.21 -2.72 113.62 114.42 3gtj n SER 455 Ca -0.06 0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3gtj n SER 455 Cb 0.19 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 3gtj n SER 455 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gtj h GLY 456 N 3.73 0.17 1.96 5.00 0.00 -1.60 -1.51 103.07 110.82 3gtj h GLY 456 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.79 3gtj h GLY 456 CO 0.00 0.29 -0.95 1.41 0.00 0.00 0.00 176.54 177.30 3gtj h LEU 457 N 0.08 0.05 -0.01 3.11 3.38 -1.53 -3.10 115.31 117.28 3gtj h LEU 457 Ca -0.04 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3gtj h LEU 457 Cb 1.58 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.32 3gtj h LEU 457 CO 0.14 0.96 -0.34 0.11 0.09 0.00 0.00 178.44 179.40 3gtj h LYS 458 N 0.01 0.25 0.39 1.13 1.57 -1.56 -2.36 116.57 116.00 3gtj h LYS 458 Ca -0.02 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3gtj h LYS 458 Cb 1.66 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 3gtj h LYS 458 CO 0.13 0.96 -0.30 -0.92 -0.57 0.00 0.00 179.45 178.75 3gtj h TYR 459 N -0.35 -0.80 -0.14 -1.35 -0.00 -1.39 0.49 116.97 113.42 3gtj h TYR 459 Ca -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.68 3gtj h TYR 459 Cb 1.07 0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 38.09 3gtj h TYR 459 CO 0.16 -0.45 0.04 0.00 -0.00 0.00 0.00 178.16 177.92 3gtj h ALA 460 N -0.17 1.82 0.00 1.82 0.00 -1.65 -1.32 119.26 119.76 3gtj h ALA 460 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gtj h ALA 460 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gtj h ALA 460 CO -0.01 0.14 -0.37 -0.11 0.00 0.00 0.00 179.25 178.91 3gtj n LEU 461 N -4.47 0.65 -0.09 0.00 7.94 -0.68 -2.22 117.00 118.14 3gtj n LEU 461 Ca -0.01 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 55.00 3gtj n LEU 461 Cb 0.12 -0.26 -0.12 0.00 0.53 0.00 0.00 43.42 43.69 3gtj n LEU 461 CO 0.35 -0.07 -1.03 0.00 -1.11 0.00 0.00 177.39 175.53 3gtj n ALA 462 N -1.75 1.08 0.08 1.96 0.00 0.16 -4.51 120.51 117.53 3gtj n ALA 462 Ca 0.05 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 3gtj n ALA 462 Cb 0.42 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 3gtj n ALA 462 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gtj h THR 463 N -0.40 1.60 0.00 0.00 2.02 -1.39 -3.48 112.91 111.26 3gtj h THR 463 Ca -0.51 -3.26 0.00 0.00 0.77 0.00 0.00 66.41 63.41 3gtj h THR 463 Cb 1.76 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 71.04 3gtj h THR 463 CO -0.13 0.93 0.00 0.61 0.37 0.00 0.00 175.52 177.30 3gtj n GLY 464 N 1.43 0.82 3.41 2.16 0.00 -0.94 -4.92 105.19 107.14 3gtj n GLY 464 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 3gtj n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtj s ASN 465 N -2.80 6.92 -0.23 1.61 0.01 -1.26 -0.14 114.94 119.04 3gtj s ASN 465 Ca 0.00 -2.75 -0.36 0.00 -0.71 0.00 0.00 52.86 49.03 3gtj s ASN 465 Cb 0.00 -2.32 -0.13 0.00 0.41 0.00 0.00 41.25 39.21 3gtj s ASN 465 CO 0.00 -0.72 1.93 1.87 -1.51 0.00 0.00 177.10 178.67 3gtj n TRP 466 N 5.01 2.04 0.00 2.20 -0.00 -1.26 -4.37 117.44 121.05 3gtj n TRP 466 Ca 0.25 0.25 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 3gtj n TRP 466 Cb 0.45 -2.56 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 3gtj n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtj n GLY 467 N 4.94 0.16 4.30 5.87 0.00 -1.26 -4.44 105.19 114.76 3gtj n GLY 467 Ca 0.29 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gtj n GLY 467 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gtj n GLU 468 N 0.00 0.00 -1.70 1.61 0.28 -1.26 -4.65 120.64 114.92 3gtj n GLU 468 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 3gtj n GLU 468 Cb 0.00 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.96 3gtj n GLU 468 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gtj n GLN 469 N 8.59 -0.11 -1.84 3.44 -0.00 -1.26 -4.76 117.38 121.44 3gtj n GLN 469 Ca 0.00 -1.64 -0.02 0.00 -0.00 0.00 0.00 57.00 55.35 3gtj n GLN 469 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 30.24 29.70 3gtj n GLN 469 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3gtj n LYS 470 N -2.35 -0.57 -2.78 2.61 4.76 -1.26 -4.94 118.16 113.62 3gtj n LYS 470 Ca 0.11 0.89 -0.37 0.00 -2.87 0.00 0.00 58.31 56.07 3gtj n LYS 470 Cb 0.38 -2.54 -0.06 0.00 -1.84 0.00 0.00 35.03 30.96 3gtj n LYS 470 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3gtj s LYS 471 N -1.52 4.54 0.00 1.97 -2.85 -1.26 -2.83 119.74 117.79 3gtj s LYS 471 Ca 0.06 1.31 0.13 0.00 -1.00 0.00 0.00 55.97 56.47 3gtj s LYS 471 Cb -0.02 -2.73 0.37 0.00 -2.06 0.00 0.00 37.83 33.39 3gtj s LYS 471 CO 0.19 0.24 1.30 0.00 0.10 0.00 0.00 175.35 177.18 3gtj n ALA 472 N 0.42 2.22 -1.79 0.59 0.00 -1.26 -5.09 120.51 115.60 3gtj n ALA 472 Ca 0.03 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 3gtj n ALA 472 Cb 0.50 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 3gtj n ALA 472 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gtj s MET 473 N -1.00 4.15 0.08 0.00 -1.94 -1.13 -3.68 119.30 115.77 3gtj s MET 473 Ca 0.28 2.53 0.04 0.00 -1.71 0.00 0.00 55.69 56.84 3gtj s MET 473 Cb 0.15 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 3gtj s MET 473 CO 0.19 -0.71 -0.01 0.45 -0.01 0.00 0.00 175.02 174.93 3gtj s SER 474 N 1.19 4.99 -0.02 3.03 0.15 -1.26 -4.83 113.70 116.95 3gtj s SER 474 Ca 0.73 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 3gtj s SER 474 Cb -0.48 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 3gtj s SER 474 CO 0.32 0.19 0.02 -1.54 1.20 0.00 0.00 173.24 173.43 3gtj n SER 475 N 0.72 -6.77 -4.03 5.45 3.41 -1.24 -4.51 113.62 106.65 3gtj n SER 475 Ca -0.12 1.00 -0.33 0.00 -0.26 0.00 0.00 58.87 59.16 3gtj n SER 475 Cb 0.52 -1.87 -0.09 0.00 -0.26 0.00 0.00 64.21 62.50 3gtj n SER 475 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtj n ARG 476 N 2.45 0.67 0.01 4.33 1.74 -1.24 -4.59 116.66 120.02 3gtj n ARG 476 Ca -0.04 -1.66 0.09 0.00 -0.77 0.00 0.00 57.85 55.47 3gtj n ARG 476 Cb 0.06 -3.22 0.38 0.00 -1.02 0.00 0.00 32.46 28.66 3gtj n ARG 476 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtj n ALA 477 N 12.67 1.81 -4.17 7.54 0.00 -1.26 -4.88 120.51 132.22 3gtj n ALA 477 Ca 0.46 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 3gtj n ALA 477 Cb 0.44 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 3gtj n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtj n GLY 478 N 0.33 -0.41 0.70 0.00 0.00 -1.14 -4.95 105.19 99.71 3gtj n GLY 478 Ca 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3gtj n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtj n VAL 479 N -3.75 0.00 -2.94 1.61 0.31 0.79 -4.79 118.33 109.57 3gtj n VAL 479 Ca 0.10 -0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 3gtj n VAL 479 Cb 0.45 -1.13 0.01 0.00 -0.91 0.00 0.00 33.84 32.26 3gtj n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gtj n SER 480 N -3.35 -7.57 -4.90 4.52 2.88 -1.20 -3.82 113.62 100.18 3gtj n SER 480 Ca 0.03 0.57 -0.26 0.00 -1.33 0.00 0.00 58.87 57.88 3gtj n SER 480 Cb 0.12 -4.72 -0.04 0.00 -0.75 0.00 0.00 64.21 58.82 3gtj n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3gtj s GLN 481 N -2.39 3.27 -1.33 -1.46 -0.21 -0.61 -4.30 119.66 112.64 3gtj s GLN 481 Ca 0.22 -0.70 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 3gtj s GLN 481 Cb -0.05 -2.86 0.14 0.00 1.00 0.00 0.00 33.01 31.24 3gtj s GLN 481 CO 0.76 0.50 1.96 0.28 -2.12 0.00 0.00 175.29 176.68 3gtj n VAL 482 N -0.57 4.12 0.00 1.09 0.31 -1.26 0.49 118.33 122.51 3gtj n VAL 482 Ca -0.08 -4.05 0.00 0.00 -0.01 0.00 0.00 64.34 60.20 3gtj n VAL 482 Cb 0.55 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 3gtj n VAL 482 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3gtj n LEU 483 N 4.43 0.00 0.00 7.52 0.00 0.26 -4.79 117.00 124.42 3gtj n LEU 483 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.44 3gtj n LEU 483 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.79 3gtj n LEU 483 CO 0.84 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 175.03 3gtj n ASN 484 N -0.15 0.00 -3.53 1.96 2.85 -1.26 -4.96 115.26 110.17 3gtj n ASN 484 Ca 0.00 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 3gtj n ASN 484 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 3gtj n ASN 484 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3gtj n ARG 485 N 0.00 0.98 -0.04 1.20 1.74 -1.26 -3.58 116.66 115.70 3gtj n ARG 485 Ca 0.00 -3.73 -0.10 0.00 -0.77 0.00 0.00 57.85 53.25 3gtj n ARG 485 Cb 0.00 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.55 3gtj n ARG 485 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3gtj n TYR 486 N 2.19 0.00 -4.30 -1.55 9.36 -1.26 -4.89 117.16 116.72 3gtj n TYR 486 Ca 0.26 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.31 3gtj n TYR 486 Cb 0.44 -0.35 -0.10 0.00 -0.63 0.00 0.00 39.34 38.70 3gtj n TYR 486 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3gtj s THR 487 N -2.26 1.47 0.08 2.97 2.01 -1.26 -4.44 115.64 114.21 3gtj s THR 487 Ca -0.15 -2.12 -0.32 0.00 0.31 0.00 0.00 61.69 59.41 3gtj s THR 487 Cb 0.05 -1.93 -0.17 0.00 0.01 0.00 0.00 72.50 70.45 3gtj s THR 487 CO 0.19 -0.65 1.63 0.22 -0.69 0.00 0.00 174.62 175.32 3gtj h TYR 488 N 2.71 -0.84 0.00 4.92 3.20 -1.81 -0.82 116.97 124.32 3gtj h TYR 488 Ca -0.38 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3gtj h TYR 488 Cb 1.21 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.77 3gtj h TYR 488 CO 0.68 -0.50 0.00 -1.13 -1.64 0.00 0.00 178.16 175.57 3gtj n SER 489 N -5.46 0.07 -0.04 -2.11 3.41 -1.26 -0.36 113.62 107.87 3gtj n SER 489 Ca -0.12 -0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 57.89 3gtj n SER 489 Cb 0.36 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 3gtj n SER 489 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3gtj n SER 490 N -0.28 3.39 -0.25 4.04 2.88 -0.56 -3.78 113.62 119.05 3gtj n SER 490 Ca 0.00 -0.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.55 3gtj n SER 490 Cb 0.02 -0.07 0.18 0.00 -0.75 0.00 0.00 64.21 63.58 3gtj n SER 490 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3gtj h THR 491 N 0.00 0.65 -0.57 2.46 2.02 0.65 -2.72 112.91 115.40 3gtj h THR 491 Ca -0.18 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3gtj h THR 491 Cb 1.28 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3gtj h THR 491 CO -0.03 0.08 -0.07 -0.07 0.37 0.00 0.00 175.52 175.80 3gtj h LEU 492 N 0.41 1.05 0.00 2.58 3.38 -1.55 -3.16 115.31 118.03 3gtj h LEU 492 Ca 0.40 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gtj h LEU 492 Cb 0.62 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gtj h LEU 492 CO -0.41 1.14 0.00 -0.24 0.09 0.00 0.00 178.44 179.02 3gtj n SER 493 N -4.16 0.00 -0.06 -0.43 2.88 -1.05 -3.19 113.62 107.61 3gtj n SER 493 Ca 0.02 0.36 -0.10 0.00 -1.33 0.00 0.00 58.87 57.82 3gtj n SER 493 Cb 0.39 -0.45 -0.15 0.00 -0.75 0.00 0.00 64.21 63.25 3gtj n SER 493 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3gtj n HIS 494 N -1.45 0.51 0.63 0.66 -0.00 -1.07 -4.03 115.22 110.48 3gtj n HIS 494 Ca 0.07 0.18 0.10 0.00 -0.00 0.00 0.00 57.72 58.07 3gtj n HIS 494 Cb 0.26 -1.09 0.43 0.00 -0.00 0.00 0.00 29.99 29.60 3gtj n HIS 494 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3gtj n LEU 495 N -2.95 0.19 -1.90 0.27 4.77 -1.19 -3.35 117.00 112.84 3gtj n LEU 495 Ca -0.26 0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 3gtj n LEU 495 Cb 1.10 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3gtj n LEU 495 CO 0.43 -0.23 0.60 0.54 -1.33 0.00 0.00 177.39 177.41 3gtj n ARG 496 N -1.69 2.99 -3.75 3.23 1.74 -1.25 -4.92 116.66 113.01 3gtj n ARG 496 Ca 0.04 -3.74 -0.37 0.00 -0.77 0.00 0.00 57.85 53.02 3gtj n ARG 496 Cb 0.25 -2.18 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 3gtj n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gtj s ARG 497 N -3.58 3.73 -0.16 5.56 3.52 -1.21 -2.54 118.95 124.26 3gtj s ARG 497 Ca 0.53 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3gtj s ARG 497 Cb 0.43 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 3gtj s ARG 497 CO 0.02 0.63 -0.15 0.99 -0.81 0.00 0.00 175.30 175.97 3gtj s THR 498 N -0.66 2.60 0.64 4.11 2.01 0.14 -2.42 115.64 122.06 3gtj s THR 498 Ca 0.16 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.42 3gtj s THR 498 Cb -0.13 -2.10 0.11 0.00 0.01 0.00 0.00 72.50 70.39 3gtj s THR 498 CO 0.05 0.51 0.89 0.21 -0.69 0.00 0.00 174.62 175.58 3gtj s ASN 499 N 0.95 4.74 -0.29 3.53 2.47 0.41 -1.62 114.94 125.14 3gtj s ASN 499 Ca -0.03 -0.63 -0.15 0.00 0.42 0.00 0.00 52.86 52.47 3gtj s ASN 499 Cb -0.15 0.17 0.12 0.00 -1.45 0.00 0.00 41.25 39.94 3gtj s ASN 499 CO -0.02 -1.59 0.80 -0.89 -3.72 0.00 0.00 177.10 171.67 3gtj s THR 500 N -2.89 -0.29 1.00 -5.21 2.01 -1.22 -2.84 115.64 106.21 3gtj s THR 500 Ca 0.64 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 3gtj s THR 500 Cb -0.05 -1.00 0.19 0.00 0.01 0.00 0.00 72.50 71.65 3gtj s THR 500 CO 0.41 0.00 1.08 -2.84 -0.69 0.00 0.00 174.62 172.58 3gtj s PRO 501 N 1.95 0.40 1.32 4.92 0.02 -1.26 -4.95 135.00 137.40 3gtj s PRO 501 Ca -0.08 0.83 0.00 0.00 0.02 0.00 0.00 61.00 61.77 3gtj s PRO 501 Cb -0.06 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.75 3gtj s PRO 501 CO -0.18 -2.83 0.00 -0.89 -0.33 0.00 0.00 177.00 172.77 3gtj n ILE 502 N -4.29 0.00 0.00 2.83 5.41 -1.26 -5.13 119.36 116.92 3gtj n ILE 502 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3gtj n ILE 502 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 3gtj n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtj n ALA 509 N 7.98 0.00 -3.36 -1.39 0.00 -1.26 -5.11 120.51 117.36 3gtj n ALA 509 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3gtj n ALA 509 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 3gtj n ALA 509 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtj n LYS 510 N -0.19 1.13 -0.70 0.00 5.02 -1.26 -5.01 118.16 117.14 3gtj n LYS 510 Ca 0.00 -3.68 -0.13 0.00 -2.02 0.00 0.00 58.31 52.48 3gtj n LYS 510 Cb 0.00 -1.66 0.06 0.00 -0.02 0.00 0.00 35.03 33.41 3gtj n LYS 510 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gtj n PRO 511 N 1.66 1.67 -0.02 1.97 -0.04 -1.26 -3.57 135.00 135.40 3gtj n PRO 511 Ca 0.25 -1.45 -0.03 0.00 -0.04 0.00 0.00 63.50 62.23 3gtj n PRO 511 Cb 0.47 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3gtj n PRO 511 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gtj n ARG 512 N 0.01 1.93 -1.67 0.54 1.74 -1.26 -4.63 116.66 113.31 3gtj n ARG 512 Ca 0.28 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.98 3gtj n ARG 512 Cb 0.85 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 31.20 3gtj n ARG 512 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gtj n GLN 513 N -2.38 1.58 -2.07 5.56 3.00 -1.23 -4.79 117.38 117.05 3gtj n GLN 513 Ca -0.08 0.57 -0.43 0.00 -0.01 0.00 0.00 57.00 57.05 3gtj n GLN 513 Cb 0.63 -2.31 -0.03 0.00 0.00 0.00 0.00 30.24 28.54 3gtj n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3gtj s LEU 514 N -1.81 3.69 -0.12 1.08 2.96 -1.26 -5.00 118.68 118.22 3gtj s LEU 514 Ca 0.66 1.43 -0.15 0.00 -0.22 0.00 0.00 54.13 55.85 3gtj s LEU 514 Cb -0.49 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.63 3gtj s LEU 514 CO 0.54 -1.48 0.35 -2.28 -1.32 0.00 0.00 176.35 172.16 3gtj s HIS 515 N 6.01 3.53 0.16 5.38 5.65 -1.26 -4.99 115.29 129.76 3gtj s HIS 515 Ca 0.75 0.73 0.01 0.00 0.25 0.00 0.00 55.06 56.81 3gtj s HIS 515 Cb -0.23 -2.36 0.41 0.00 -1.18 0.00 0.00 32.58 29.21 3gtj s HIS 515 CO 0.32 0.32 0.83 0.09 -0.65 0.00 0.00 174.74 175.64 3gtj n ASN 516 N 3.22 -0.06 0.23 9.88 3.02 -1.26 0.11 115.26 130.41 3gtj n ASN 516 Ca -0.11 0.89 0.16 0.00 -0.03 0.00 0.00 54.58 55.49 3gtj n ASN 516 Cb 0.52 -0.33 0.81 0.00 -0.61 0.00 0.00 39.78 40.17 3gtj n ASN 516 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gtj h THR 517 N 0.00 0.00 0.00 3.41 1.35 -1.94 -2.39 112.91 113.34 3gtj h THR 517 Ca 0.32 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 3gtj h THR 517 Cb 0.67 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3gtj h THR 517 CO -0.49 0.00 0.00 0.45 -0.25 0.00 0.00 175.52 175.23 3gtj h HIS 518 N 0.00 0.00 -1.45 4.73 3.86 0.44 -3.45 115.15 119.27 3gtj h HIS 518 Ca 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.49 3gtj h HIS 518 Cb 0.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.59 3gtj h HIS 518 CO 0.00 0.00 1.01 1.87 0.86 0.00 0.00 177.93 181.67 3gtj n TRP 519 N -2.79 1.98 -0.89 2.45 -0.00 -0.90 -1.45 117.44 115.85 3gtj n TRP 519 Ca -0.01 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 57.96 3gtj n TRP 519 Cb 0.16 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 28.99 3gtj n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtj n GLY 520 N 4.70 0.74 0.69 5.87 0.00 -1.26 -4.83 105.19 111.10 3gtj n GLY 520 Ca 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 3gtj n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 521 N 0.00 1.06 -4.78 0.99 4.77 -0.53 -4.63 117.00 113.89 3gtj n LEU 521 Ca 0.00 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 3gtj n LEU 521 Cb 0.01 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 3gtj n LEU 521 CO 0.00 -0.17 -0.26 -0.69 -1.33 0.00 0.00 177.39 174.94 3gtj s VAL 522 N -2.26 4.60 0.04 4.08 1.01 -0.96 -0.87 120.40 126.05 3gtj s VAL 522 Ca -0.13 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3gtj s VAL 522 Cb 0.04 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3gtj s VAL 522 CO 0.17 0.22 0.78 0.00 0.00 0.00 0.00 175.10 176.27 3gtj h PRO 524 N 5.76 -0.22 0.19 0.00 0.11 -1.91 -3.33 132.00 132.59 3gtj h PRO 524 Ca -0.44 0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.38 3gtj h PRO 524 Cb 1.21 0.05 0.03 0.00 0.11 0.00 0.00 31.00 32.39 3gtj h PRO 524 CO 0.71 -0.04 -1.36 0.00 -0.21 0.00 0.00 178.00 177.11 3gtj h ALA 525 N 0.43 -0.04 -2.12 -0.75 0.00 -1.94 -3.45 119.26 111.39 3gtj h ALA 525 Ca -0.02 -0.85 -0.56 0.00 0.00 0.00 0.00 54.91 53.48 3gtj h ALA 525 Cb 0.29 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3gtj h ALA 525 CO 0.04 0.78 1.24 -2.00 0.00 0.00 0.00 179.25 179.32 3gtj s GLU 526 N -2.70 3.74 -0.25 0.00 2.12 -1.25 -4.36 118.70 116.00 3gtj s GLU 526 Ca -0.07 2.04 -0.32 0.00 0.36 0.00 0.00 54.97 56.97 3gtj s GLU 526 Cb 0.05 -4.15 0.17 0.00 0.26 0.00 0.00 34.13 30.46 3gtj s GLU 526 CO 0.92 -1.38 1.29 -0.08 -0.54 0.00 0.00 175.26 175.47 3gtj s THR 527 N 5.71 0.00 0.47 -1.70 -1.32 -1.26 -4.25 115.64 113.28 3gtj s THR 527 Ca 0.83 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 61.10 3gtj s THR 527 Cb -0.32 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.59 3gtj s THR 527 CO 0.34 0.00 1.07 -2.84 -2.21 0.00 0.00 174.62 170.98 3gtj s PRO 528 N -1.51 3.81 -0.08 7.08 0.02 -1.26 -4.75 135.00 138.31 3gtj s PRO 528 Ca 0.08 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.32 3gtj s PRO 528 Cb -0.01 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.26 3gtj s PRO 528 CO -0.05 -0.45 0.91 -1.21 -0.33 0.00 0.00 177.00 175.87 3gtj s GLU 529 N -2.98 4.44 2.74 5.54 2.02 -1.26 -4.43 118.70 124.77 3gtj s GLU 529 Ca 0.65 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.88 3gtj s GLU 529 Cb -0.21 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.52 3gtj s GLU 529 CO 0.25 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.77 3gtj n GLY 530 N 3.11 0.47 5.38 -1.39 0.00 -1.26 -4.73 105.19 106.77 3gtj n GLY 530 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3gtj n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtj n GLN 531 N -0.49 0.00 -2.61 1.61 6.02 -1.26 -1.47 117.38 119.18 3gtj n GLN 531 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3gtj n GLN 531 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 3gtj n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtj n ALA 532 N 0.78 4.59 -2.55 -1.58 0.00 -1.26 -5.07 120.51 115.41 3gtj n ALA 532 Ca 0.00 -4.12 -0.43 0.00 0.00 0.00 0.00 53.44 48.89 3gtj n ALA 532 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3gtj n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj n GLY 534 N 4.49 2.57 0.23 0.00 0.00 -1.26 -4.84 105.19 106.38 3gtj n GLY 534 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3gtj n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gtj h LEU 535 N 0.00 0.00 -9.15 0.99 3.38 -1.81 -3.44 115.31 105.28 3gtj h LEU 535 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3gtj h LEU 535 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3gtj h LEU 535 CO 0.00 0.01 -0.61 -0.69 0.09 0.00 0.00 178.44 177.24 3gtj s VAL 536 N -3.27 4.37 0.04 1.22 1.01 -1.24 -3.38 120.40 119.15 3gtj s VAL 536 Ca 0.06 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3gtj s VAL 536 Cb 0.06 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3gtj s VAL 536 CO 0.66 0.55 -0.13 -0.54 0.00 0.00 0.00 175.10 175.63 3gtj s LYS 537 N -0.30 0.89 -0.08 2.72 -0.14 -0.64 -4.60 119.74 117.59 3gtj s LYS 537 Ca 0.07 -0.74 0.02 0.00 -1.36 0.00 0.00 55.97 53.96 3gtj s LYS 537 Cb -0.12 -0.88 -0.02 0.00 -1.68 0.00 0.00 37.83 35.13 3gtj s LYS 537 CO 0.02 0.22 -0.14 -0.80 -0.76 0.00 0.00 175.35 173.89 3gtj s ASN 538 N -1.15 4.04 0.30 2.83 0.02 -1.26 0.24 114.94 119.97 3gtj s ASN 538 Ca 0.01 -0.23 -0.29 0.00 -1.02 0.00 0.00 52.86 51.32 3gtj s ASN 538 Cb -0.08 -1.12 -0.10 0.00 0.02 0.00 0.00 41.25 39.97 3gtj s ASN 538 CO 0.01 0.28 1.12 -0.76 0.02 0.00 0.00 177.10 177.78 3gtj s LEU 539 N -0.36 4.50 1.18 0.60 1.43 -1.05 -1.54 118.68 123.44 3gtj s LEU 539 Ca 0.04 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 3gtj s LEU 539 Cb -0.12 -3.68 0.26 0.00 0.03 0.00 0.00 46.19 42.67 3gtj s LEU 539 CO 0.02 -0.23 0.77 -1.20 0.23 0.00 0.00 176.35 175.95 3gtj n SER 540 N 1.03 -1.99 -0.08 2.29 7.64 -0.05 -4.53 113.62 117.93 3gtj n SER 540 Ca -0.00 -0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.60 3gtj n SER 540 Cb 0.45 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 3gtj n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gtj h LEU 541 N -2.60 0.32 -1.83 -3.43 3.38 -1.58 -3.29 115.31 106.28 3gtj h LEU 541 Ca -0.61 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3gtj h LEU 541 Cb 1.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3gtj h LEU 541 CO 0.47 0.24 0.00 0.80 0.09 0.00 0.00 178.44 180.04 3gtj n MET 542 N -4.89 2.23 -3.15 1.13 1.56 -1.26 -4.93 117.12 107.81 3gtj n MET 542 Ca -0.02 -1.82 -0.37 0.00 -0.27 0.00 0.00 57.70 55.22 3gtj n MET 542 Cb 0.03 -1.47 -0.06 0.00 2.15 0.00 0.00 33.22 33.87 3gtj n MET 542 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3gtj s SER 543 N -1.81 7.09 0.46 6.12 1.04 -1.24 -4.42 113.70 120.95 3gtj s SER 543 Ca 0.33 1.38 0.02 0.00 0.48 0.00 0.00 55.95 58.16 3gtj s SER 543 Cb 0.21 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 3gtj s SER 543 CO 0.31 0.13 0.07 0.00 0.98 0.00 0.00 173.24 174.72 3gtj s ILE 545 N -2.94 3.23 0.13 0.00 1.09 -1.26 -2.62 121.20 118.83 3gtj s ILE 545 Ca 0.09 -0.63 -0.31 0.00 -1.10 0.00 0.00 60.65 58.70 3gtj s ILE 545 Cb 0.00 -2.32 -0.10 0.00 -1.06 0.00 0.00 42.46 38.98 3gtj s ILE 545 CO 0.07 0.56 1.76 -0.94 -0.10 0.00 0.00 174.94 176.28 3gtj s SER 546 N -0.23 6.47 0.01 3.58 1.04 -0.53 -4.91 113.70 119.13 3gtj s SER 546 Ca 0.02 2.70 0.11 0.00 0.48 0.00 0.00 55.95 59.26 3gtj s SER 546 Cb -0.13 -2.57 -0.22 0.00 0.10 0.00 0.00 66.02 63.20 3gtj s SER 546 CO 0.03 -0.96 0.85 1.62 0.98 0.00 0.00 173.24 175.76 3gtj h VAL 547 N 4.54 1.07 0.00 5.02 3.04 -1.92 -2.71 116.25 125.29 3gtj h VAL 547 Ca -0.45 -2.86 0.00 0.00 -1.01 0.00 0.00 66.70 62.38 3gtj h VAL 547 Cb 1.21 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 3gtj h VAL 547 CO 0.94 0.61 0.00 0.61 -1.01 0.00 0.00 177.57 178.72 3gtj n GLY 548 N 1.49 3.07 0.00 3.17 0.00 -1.26 -4.77 105.19 106.89 3gtj n GLY 548 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3gtj n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gtj n THR 549 N -0.43 0.00 -4.48 2.61 -1.04 -1.25 -5.06 114.28 104.63 3gtj n THR 549 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3gtj n THR 549 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 3gtj n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtj s ASP 550 N 0.29 4.67 -0.00 8.00 2.15 -1.26 -4.99 116.67 125.52 3gtj s ASP 550 Ca 0.00 -0.15 -0.25 0.00 0.43 0.00 0.00 52.55 52.58 3gtj s ASP 550 Cb 0.00 -1.70 -0.19 0.00 -0.30 0.00 0.00 42.92 40.73 3gtj s ASP 550 CO 0.00 0.19 1.32 -0.65 -0.17 0.00 0.00 175.17 175.86 3gtj h PRO 551 N 6.56 0.05 -0.03 4.34 0.11 -2.02 -3.37 132.00 137.64 3gtj h PRO 551 Ca -0.32 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3gtj h PRO 551 Cb 1.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gtj h PRO 551 CO 0.61 0.48 -0.03 0.00 -0.21 0.00 0.00 178.00 178.85 3gtj h MET 552 N -0.37 0.04 0.00 1.05 -0.00 -1.99 -0.66 114.93 113.00 3gtj h MET 552 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gtj h MET 552 Cb 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 3gtj h MET 552 CO 0.00 0.08 0.00 -2.30 -0.00 0.00 0.00 176.91 174.69 3gtj n PRO 553 N -4.48 0.23 -0.08 -0.10 -0.02 -1.26 -0.86 135.00 128.43 3gtj n PRO 553 Ca -0.02 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3gtj n PRO 553 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 3gtj n PRO 553 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gtj n ILE 554 N -1.21 1.45 -0.27 4.25 2.08 -0.26 -4.16 119.36 121.24 3gtj n ILE 554 Ca 0.07 0.14 -0.07 0.00 0.56 0.00 0.00 62.75 63.44 3gtj n ILE 554 Cb 0.08 -2.28 -0.06 0.00 -0.75 0.00 0.00 39.64 36.63 3gtj n ILE 554 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3gtj n ILE 555 N -4.55 -0.43 -0.31 1.39 2.08 -1.09 0.17 119.36 116.62 3gtj n ILE 555 Ca -0.15 1.78 0.16 0.00 0.56 0.00 0.00 62.75 65.10 3gtj n ILE 555 Cb 0.40 -2.23 0.34 0.00 -0.75 0.00 0.00 39.64 37.41 3gtj n ILE 555 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3gtj h THR 556 N 0.00 0.41 -0.33 1.39 2.02 -1.23 -1.19 112.91 113.98 3gtj h THR 556 Ca 0.10 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3gtj h THR 556 Cb 0.26 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3gtj h THR 556 CO -0.60 0.06 0.11 0.15 0.37 0.00 0.00 175.52 175.61 3gtj h PHE 557 N 0.36 0.52 -0.04 3.16 3.57 -0.43 -3.18 116.94 120.89 3gtj h PHE 557 Ca 0.60 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 3gtj h PHE 557 Cb 1.21 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 3gtj h PHE 557 CO -0.13 0.52 0.02 -0.07 -2.23 0.00 0.00 178.31 176.42 3gtj h LEU 558 N 0.37 0.06 -0.42 0.59 3.38 -0.37 -2.89 115.31 116.03 3gtj h LEU 558 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gtj h LEU 558 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gtj h LEU 558 CO -0.00 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 3gtj n SER 559 N -4.97 0.17 -2.27 -0.43 3.41 -0.74 -0.43 113.62 108.37 3gtj n SER 559 Ca -0.07 -0.82 -0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3gtj n SER 559 Cb 0.11 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3gtj n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtj n GLU 560 N -0.17 1.32 -2.74 4.33 1.02 -1.09 -4.90 120.64 118.42 3gtj n GLU 560 Ca 0.00 -3.08 -0.03 0.00 -0.02 0.00 0.00 57.16 54.04 3gtj n GLU 560 Cb 0.04 -1.16 0.08 0.00 -0.02 0.00 0.00 31.44 30.39 3gtj n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3gtj n TRP 561 N -0.29 -0.36 -0.01 -0.32 7.02 0.43 -4.99 117.44 118.93 3gtj n TRP 561 Ca 0.10 -2.05 0.00 0.00 -1.02 0.00 0.00 57.50 54.53 3gtj n TRP 561 Cb 0.92 0.60 0.00 0.00 -2.42 0.00 0.00 31.31 30.41 3gtj n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gtj n GLY 562 N -0.88 1.71 3.75 6.99 0.00 -1.26 -5.03 105.19 110.47 3gtj n GLY 562 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3gtj n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtj s MET 563 N -0.43 4.25 -0.17 1.61 0.00 -1.25 -4.64 119.30 118.67 3gtj s MET 563 Ca 0.00 2.33 -0.16 0.00 0.00 0.00 0.00 55.69 57.87 3gtj s MET 563 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 34.83 31.69 3gtj s MET 563 CO 0.00 -0.44 0.38 -1.21 0.00 0.00 0.00 175.02 173.75 3gtj s GLU 564 N -0.46 4.24 0.89 4.11 2.02 -0.88 -4.84 118.70 123.79 3gtj s GLU 564 Ca 0.59 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.69 3gtj s GLU 564 Cb -0.42 -3.48 0.13 0.00 0.10 0.00 0.00 34.13 30.46 3gtj s GLU 564 CO 0.44 0.10 1.10 -2.14 0.02 0.00 0.00 175.26 174.78 3gtj s PRO 565 N 0.88 1.27 0.17 0.39 0.02 -1.26 -2.32 135.00 134.15 3gtj s PRO 565 Ca 0.19 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.25 3gtj s PRO 565 Cb -0.14 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.66 3gtj s PRO 565 CO 0.07 -2.32 1.67 1.25 -0.33 0.00 0.00 177.00 177.34 3gtj h LEU 566 N -1.62 0.95 0.00 -5.54 5.85 -1.90 -3.05 115.31 109.99 3gtj h LEU 566 Ca -0.47 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3gtj h LEU 566 Cb 1.27 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3gtj h LEU 566 CO 0.49 0.96 0.00 -1.84 -0.34 0.00 0.00 178.44 177.72 3gtj n GLU 567 N -4.31 0.42 -2.09 1.25 0.00 -1.26 -2.94 120.64 111.72 3gtj n GLU 567 Ca 0.03 0.06 -0.26 0.00 0.00 0.00 0.00 57.16 56.98 3gtj n GLU 567 Cb 0.27 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.23 3gtj n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gtj n ASP 568 N -1.13 5.19 -4.40 -1.84 8.00 -1.15 -5.05 116.55 116.17 3gtj n ASP 568 Ca 0.11 -3.75 -0.33 0.00 0.71 0.00 0.00 54.79 51.53 3gtj n ASP 568 Cb 0.10 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.61 3gtj n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3gtj s TYR 569 N -3.62 2.90 -0.55 1.24 5.04 -1.15 -4.88 117.35 116.33 3gtj s TYR 569 Ca 0.51 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 3gtj s TYR 569 Cb 0.42 -1.91 0.14 0.00 0.35 0.00 0.00 41.96 40.95 3gtj s TYR 569 CO -0.04 -0.20 0.30 0.14 -1.34 0.00 0.00 175.55 174.41 3gtj s VAL 570 N 0.49 2.81 0.32 3.14 -7.23 -1.26 -4.99 120.40 113.67 3gtj s VAL 570 Ca -0.07 -3.31 0.03 0.00 -1.81 0.00 0.00 61.98 56.82 3gtj s VAL 570 Cb -0.15 -2.92 0.29 0.00 0.56 0.00 0.00 36.38 34.16 3gtj s VAL 570 CO 0.04 -0.82 1.89 -0.65 -0.31 0.00 0.00 175.10 175.25 3gtj h PRO 571 N 6.53 0.90 0.00 4.82 0.11 -1.87 0.10 132.00 142.59 3gtj h PRO 571 Ca -0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3gtj h PRO 571 Cb 0.89 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 3gtj h PRO 571 CO 0.70 0.59 -0.02 1.12 -0.21 0.00 0.00 178.00 180.18 3gtj h HIS 572 N 0.92 0.00 0.00 0.65 2.07 -1.93 -3.19 115.15 113.68 3gtj h HIS 572 Ca 0.42 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.86 3gtj h HIS 572 Cb 0.37 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.34 3gtj h HIS 572 CO -0.00 0.02 -1.99 0.94 -3.07 0.00 0.00 177.93 173.83 3gtj n GLN 573 N -3.12 0.69 -3.76 5.12 7.27 -0.19 -4.79 117.38 118.60 3gtj n GLN 573 Ca 0.01 -0.14 -0.36 0.00 0.07 0.00 0.00 57.00 56.57 3gtj n GLN 573 Cb 0.33 -1.47 -0.11 0.00 2.41 0.00 0.00 30.24 31.40 3gtj n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gtj s SER 574 N -4.51 5.19 -0.04 1.69 0.01 0.19 -5.00 113.70 111.24 3gtj s SER 574 Ca -0.08 -2.51 -0.02 0.00 1.31 0.00 0.00 55.95 54.65 3gtj s SER 574 Cb 0.11 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.51 3gtj s SER 574 CO 0.81 -0.43 -0.04 1.55 0.41 0.00 0.00 173.24 175.54 3gtj h PRO 575 N 7.43 0.00 -3.59 12.44 0.14 -1.87 -3.41 132.00 143.14 3gtj h PRO 575 Ca -0.07 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.48 3gtj h PRO 575 Cb 0.99 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.14 3gtj h PRO 575 CO 0.70 0.00 3.08 -0.25 0.14 0.00 0.00 178.00 181.67 3gtj n ASP 576 N -2.92 5.55 -3.88 1.44 8.00 -1.26 -4.85 116.55 118.61 3gtj n ASP 576 Ca -0.01 -2.57 -0.28 0.00 0.71 0.00 0.00 54.79 52.63 3gtj n ASP 576 Cb 0.05 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 39.62 3gtj n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtj s ALA 577 N 3.23 1.48 -0.12 2.24 0.00 -1.26 -4.61 121.76 122.71 3gtj s ALA 577 Ca 0.54 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3gtj s ALA 577 Cb 0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3gtj s ALA 577 CO -0.03 -0.82 1.19 0.99 0.00 0.00 0.00 175.76 177.10 3gtj s THR 578 N 1.63 4.35 0.30 0.00 2.01 -0.21 -4.84 115.64 118.88 3gtj s THR 578 Ca 0.00 1.65 -0.19 0.00 0.31 0.00 0.00 61.69 63.47 3gtj s THR 578 Cb -0.15 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 3gtj s THR 578 CO -0.08 -0.07 0.79 0.00 -0.69 0.00 0.00 174.62 174.57 3gtj s ARG 579 N 2.79 4.20 -0.08 4.92 1.70 -1.18 0.85 118.95 132.14 3gtj s ARG 579 Ca 0.54 0.89 0.04 0.00 -0.47 0.00 0.00 55.73 56.72 3gtj s ARG 579 Cb -0.22 -2.59 -0.01 0.00 -0.57 0.00 0.00 34.95 31.55 3gtj s ARG 579 CO 0.17 0.23 -0.19 0.08 -1.08 0.00 0.00 175.30 174.50 3gtj s VAL 580 N -1.81 2.55 0.18 4.99 1.01 -0.77 -1.61 120.40 124.95 3gtj s VAL 580 Ca 0.51 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3gtj s VAL 580 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3gtj s VAL 580 CO 0.19 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.29 3gtj s PHE 581 N -0.12 2.00 -0.16 5.22 0.40 -0.34 -1.53 117.98 123.46 3gtj s PHE 581 Ca -0.03 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 3gtj s PHE 581 Cb -0.14 -0.98 0.07 0.00 0.51 0.00 0.00 43.02 42.48 3gtj s PHE 581 CO 0.04 0.42 0.36 0.08 0.70 0.00 0.00 175.22 176.81 3gtj s VAL 582 N -2.00 -0.32 -0.38 -0.44 1.01 -0.87 -1.51 120.40 115.89 3gtj s VAL 582 Ca 0.19 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3gtj s VAL 582 Cb -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3gtj s VAL 582 CO 0.08 0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.84 3gtj n ASN 583 N 4.87 -3.33 -0.09 3.32 4.13 -0.89 -1.29 115.26 121.98 3gtj n ASN 583 Ca -0.15 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.20 3gtj n ASN 583 Cb 0.52 -2.44 0.00 0.00 -1.54 0.00 0.00 39.78 36.32 3gtj n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gtj n GLY 584 N 0.33 1.02 3.00 7.41 0.00 -1.26 -4.85 105.19 110.84 3gtj n GLY 584 Ca -0.04 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3gtj n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 585 N -2.18 1.17 -0.37 1.61 1.01 -0.41 -4.75 120.40 116.47 3gtj s VAL 585 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3gtj s VAL 585 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.30 3gtj s VAL 585 CO 0.00 0.37 1.25 0.86 0.00 0.00 0.00 175.10 177.58 3gtj s TRP 586 N 0.96 2.73 -0.68 5.22 -0.11 -1.26 -2.06 118.94 123.74 3gtj s TRP 586 Ca -0.09 0.84 0.00 0.00 1.22 0.00 0.00 56.10 58.08 3gtj s TRP 586 Cb -0.15 -4.10 0.39 0.00 -1.50 0.00 0.00 33.47 28.11 3gtj s TRP 586 CO 0.00 -1.51 1.74 0.72 -4.62 0.00 0.00 176.95 173.28 3gtj n HIS 587 N 7.82 3.12 -4.10 5.86 8.25 -0.58 -4.91 115.22 130.68 3gtj n HIS 587 Ca 0.14 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.98 3gtj n HIS 587 Cb 0.48 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3gtj n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtj n GLY 588 N -0.58 -1.97 3.64 -1.41 0.00 -1.26 -4.60 105.19 99.01 3gtj n GLY 588 Ca 0.51 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 3gtj n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 589 N 0.00 2.83 0.02 1.61 1.01 -0.98 -1.84 120.40 123.06 3gtj s VAL 589 Ca 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 60.08 3gtj s VAL 589 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3gtj s VAL 589 CO 0.00 -0.24 -0.10 -2.28 0.00 0.00 0.00 175.10 172.48 3gtj s HIS 590 N -2.47 0.87 -0.22 5.22 5.04 0.25 -2.06 115.29 121.92 3gtj s HIS 590 Ca 0.34 -0.31 -0.06 0.00 -1.54 0.00 0.00 55.06 53.50 3gtj s HIS 590 Cb -0.02 -0.53 -0.02 0.00 0.04 0.00 0.00 32.58 32.05 3gtj s HIS 590 CO 0.20 -0.01 0.01 1.03 -2.34 0.00 0.00 174.74 173.63 3gtj s ARG 591 N -0.91 3.58 -0.14 2.88 0.52 -1.26 -1.05 118.95 122.57 3gtj s ARG 591 Ca -0.01 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3gtj s ARG 591 Cb -0.07 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.26 3gtj s ARG 591 CO 0.00 -0.10 0.14 -1.71 0.02 0.00 0.00 175.30 173.66 3gtj n ASN 592 N 4.59 -3.27 -0.35 0.23 5.15 -1.26 -4.96 115.26 115.38 3gtj n ASN 592 Ca -0.17 0.03 0.02 0.00 -0.60 0.00 0.00 54.58 53.87 3gtj n ASN 592 Cb 0.51 -1.94 0.07 0.00 -0.53 0.00 0.00 39.78 37.89 3gtj n ASN 592 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3gtj n PRO 593 N -0.91 1.42 0.03 1.20 -0.05 -1.26 -4.16 135.00 131.27 3gtj n PRO 593 Ca 0.01 -0.59 -0.14 0.00 -0.05 0.00 0.00 63.50 62.73 3gtj n PRO 593 Cb 0.36 -1.18 -0.08 0.00 -0.05 0.00 0.00 33.50 32.54 3gtj n PRO 593 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gtj h ALA 594 N 3.20 -0.76 0.01 0.55 0.00 -2.00 -2.53 119.26 117.73 3gtj h ALA 594 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 3gtj h ALA 594 Cb 0.28 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3gtj h ALA 594 CO 0.01 -1.01 -1.48 0.00 0.00 0.00 0.00 179.25 176.76 3gtj h ARG 595 N -0.58 0.02 -0.45 0.00 3.08 -1.99 -3.33 114.38 111.13 3gtj h ARG 595 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3gtj h ARG 595 Cb 0.67 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3gtj h ARG 595 CO -0.37 0.70 0.10 1.25 -1.07 0.00 0.00 179.97 180.57 3gtj h LEU 596 N 0.01 0.64 0.50 3.04 5.85 -1.71 -0.68 115.31 122.94 3gtj h LEU 596 Ca -0.20 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3gtj h LEU 596 Cb 1.94 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.81 3gtj h LEU 596 CO 0.10 0.64 -0.24 -0.03 -0.34 0.00 0.00 178.44 178.58 3gtj h MET 597 N 0.67 -0.64 -0.87 1.25 4.05 -1.61 -2.80 114.93 114.97 3gtj h MET 597 Ca 0.15 0.04 0.21 0.00 -0.28 0.00 0.00 59.70 59.83 3gtj h MET 597 Cb 0.27 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 3gtj h MET 597 CO -0.00 -0.37 0.59 1.49 0.23 0.00 0.00 176.91 178.85 3gtj h GLU 598 N -1.11 0.26 -0.34 0.39 4.57 -1.61 0.29 114.58 117.04 3gtj h GLU 598 Ca -0.07 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 3gtj h GLU 598 Cb 0.57 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3gtj h GLU 598 CO 0.11 0.17 -0.44 1.15 -1.18 0.00 0.00 179.01 178.83 3gtj h THR 599 N 0.27 1.28 -0.25 0.32 2.02 -1.15 -1.76 112.91 113.63 3gtj h THR 599 Ca 0.44 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3gtj h THR 599 Cb 1.30 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 3gtj h THR 599 CO -0.12 0.53 0.16 -0.07 0.37 0.00 0.00 175.52 176.40 3gtj h LEU 600 N 0.70 0.28 -1.30 2.58 -0.00 -0.17 -2.89 115.31 114.52 3gtj h LEU 600 Ca 0.05 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 3gtj h LEU 600 Cb 1.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 3gtj h LEU 600 CO 0.10 0.21 -0.27 0.03 -0.00 0.00 0.00 178.44 178.51 3gtj h ARG 601 N 0.33 0.00 -0.19 1.13 3.08 -1.34 -2.92 114.38 114.47 3gtj h ARG 601 Ca 0.09 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3gtj h ARG 601 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3gtj h ARG 601 CO -0.02 0.27 -0.46 1.15 -1.07 0.00 0.00 179.97 179.84 3gtj h THR 602 N 0.00 1.31 0.01 2.04 2.02 -1.11 -2.93 112.91 114.25 3gtj h THR 602 Ca -0.00 -1.67 -0.22 0.00 0.77 0.00 0.00 66.41 65.29 3gtj h THR 602 Cb 0.67 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3gtj h THR 602 CO 0.04 0.52 -1.09 -0.07 0.37 0.00 0.00 175.52 175.29 3gtj h LEU 603 N 0.40 0.03 -0.24 2.58 3.38 -1.37 -2.94 115.31 117.15 3gtj h LEU 603 Ca 0.02 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3gtj h LEU 603 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gtj h LEU 603 CO 0.09 1.03 -0.61 -0.09 0.09 0.00 0.00 178.44 178.95 3gtj h ARG 604 N 0.01 0.84 0.00 1.13 2.43 -1.59 0.54 114.38 117.74 3gtj h ARG 604 Ca -0.05 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 3gtj h ARG 604 Cb 1.81 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3gtj h ARG 604 CO 0.13 1.21 0.00 0.54 -1.51 0.00 0.00 179.97 180.34 3gtj n ARG 605 N -4.01 0.12 0.03 0.20 1.74 -1.11 -0.63 116.66 113.01 3gtj n ARG 605 Ca -0.05 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3gtj n ARG 605 Cb 0.66 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 3gtj n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3gtj n LYS 606 N -2.02 0.64 -0.07 5.56 4.81 -1.11 -2.81 118.16 123.15 3gtj n LYS 606 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3gtj n LYS 606 Cb 0.15 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3gtj n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtj n GLY 607 N 1.27 0.53 0.16 3.14 0.00 0.20 -4.75 105.19 105.73 3gtj n GLY 607 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3gtj n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtj h ASP 608 N 0.00 0.42 -3.46 1.61 3.32 -0.13 -3.40 116.42 114.78 3gtj h ASP 608 Ca 0.00 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 56.25 3gtj h ASP 608 Cb 0.00 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 39.32 3gtj h ASP 608 CO 0.00 0.51 -0.29 -0.63 -1.72 0.00 0.00 179.24 177.10 3gtj s ILE 609 N -5.42 5.26 -0.39 0.35 -1.09 -0.92 -4.93 121.20 114.05 3gtj s ILE 609 Ca -0.13 0.56 -0.44 0.00 -2.23 0.00 0.00 60.65 58.40 3gtj s ILE 609 Cb 0.08 -3.66 -0.19 0.00 -1.58 0.00 0.00 42.46 37.12 3gtj s ILE 609 CO 0.73 0.30 1.58 -3.20 -1.23 0.00 0.00 174.94 173.13 3gtj n ASN 610 N 4.25 1.41 0.17 3.58 2.85 -1.26 -4.32 115.26 121.94 3gtj n ASN 610 Ca -0.11 1.16 0.11 0.00 -0.11 0.00 0.00 54.58 55.63 3gtj n ASN 610 Cb 0.51 -0.96 0.60 0.00 1.24 0.00 0.00 39.78 41.17 3gtj n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gtj h PRO 611 N 5.37 0.00 0.47 1.20 0.11 -1.86 -2.33 132.00 134.96 3gtj h PRO 611 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3gtj h PRO 611 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3gtj h PRO 611 CO 0.94 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.44 3gtj h GLU 612 N 0.00 -0.61 -6.08 1.05 5.08 -1.88 -3.36 114.58 108.78 3gtj h GLU 612 Ca 0.00 0.04 -0.78 0.00 -1.00 0.00 0.00 59.36 57.62 3gtj h GLU 612 Cb 0.08 0.14 0.04 0.00 0.50 0.00 0.00 28.75 29.51 3gtj h GLU 612 CO 0.00 -0.40 0.42 0.28 -1.00 0.00 0.00 179.01 178.31 3gtj n VAL 613 N -3.69 0.04 -4.26 3.13 0.31 -0.88 -4.92 118.33 108.06 3gtj n VAL 613 Ca -0.08 -0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 3gtj n VAL 613 Cb 0.25 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 3gtj n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gtj s SER 614 N 1.33 4.61 -0.22 4.52 1.04 -0.81 -4.96 113.70 119.22 3gtj s SER 614 Ca 0.94 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 3gtj s SER 614 Cb -1.22 -0.90 0.10 0.00 0.10 0.00 0.00 66.02 64.10 3gtj s SER 614 CO 0.62 0.04 0.25 -0.04 0.98 0.00 0.00 173.24 175.09 3gtj s MET 615 N -3.35 0.23 -0.47 4.02 -1.94 -1.26 -0.93 119.30 115.59 3gtj s MET 615 Ca 0.29 0.23 -0.02 0.00 -1.71 0.00 0.00 55.69 54.48 3gtj s MET 615 Cb -0.08 -1.06 0.13 0.00 2.01 0.00 0.00 34.83 35.83 3gtj s MET 615 CO 0.19 -0.68 0.27 0.42 -0.01 0.00 0.00 175.02 175.21 3gtj s ILE 616 N 2.36 3.32 0.07 2.53 1.09 -0.39 -4.95 121.20 125.22 3gtj s ILE 616 Ca 0.08 -2.41 -0.29 0.00 -1.10 0.00 0.00 60.65 56.94 3gtj s ILE 616 Cb -0.16 -3.25 -0.05 0.00 -1.06 0.00 0.00 42.46 37.95 3gtj s ILE 616 CO -0.14 -0.75 0.91 -0.60 -0.10 0.00 0.00 174.94 174.26 3gtj s ARG 617 N 0.69 4.61 -0.33 2.79 6.06 -1.26 -2.84 118.95 128.68 3gtj s ARG 617 Ca 0.11 1.33 0.03 0.00 -2.50 0.00 0.00 55.73 54.70 3gtj s ARG 617 Cb -0.22 -3.39 0.09 0.00 0.06 0.00 0.00 34.95 31.49 3gtj s ARG 617 CO -0.04 0.17 0.04 0.34 -2.50 0.00 0.00 175.30 173.31 3gtj s ASP 618 N 0.23 4.78 -0.02 -2.12 -1.08 0.65 -4.93 116.67 114.18 3gtj s ASP 618 Ca 0.46 -1.95 -0.22 0.00 -0.52 0.00 0.00 52.55 50.31 3gtj s ASP 618 Cb -0.22 -1.65 -0.15 0.00 -1.46 0.00 0.00 42.92 39.45 3gtj s ASP 618 CO 0.27 -0.36 0.98 0.40 0.52 0.00 0.00 175.17 176.98 3gtj h ILE 619 N 6.60 0.61 0.00 4.11 1.08 -1.96 -1.60 117.51 126.35 3gtj h ILE 619 Ca -0.09 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3gtj h ILE 619 Cb 1.03 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 3gtj h ILE 619 CO 0.53 0.13 0.00 0.54 -0.69 0.00 0.00 178.15 178.67 3gtj n ARG 620 N -5.06 0.87 0.00 2.37 1.74 -1.26 -2.27 116.66 113.05 3gtj n ARG 620 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3gtj n ARG 620 Cb 0.26 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3gtj n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtj n GLU 621 N -0.70 2.48 -3.39 5.56 4.07 -1.23 -5.04 120.64 122.39 3gtj n GLU 621 Ca 0.09 -0.05 -0.19 0.00 -0.06 0.00 0.00 57.16 56.95 3gtj n GLU 621 Cb 0.04 -0.35 0.05 0.00 -0.06 0.00 0.00 31.44 31.12 3gtj n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtj n LYS 622 N -0.37 -1.75 -3.93 5.31 5.02 -0.66 -4.97 118.16 116.81 3gtj n LYS 622 Ca 0.00 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.01 3gtj n LYS 622 Cb 0.03 -5.14 -0.10 0.00 -0.02 0.00 0.00 35.03 29.81 3gtj n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtj s GLU 623 N -4.75 0.52 -0.21 1.97 2.02 -0.87 -3.10 118.70 114.29 3gtj s GLU 623 Ca 0.39 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 3gtj s GLU 623 Cb -0.09 0.21 0.07 0.00 0.10 0.00 0.00 34.13 34.42 3gtj s GLU 623 CO 0.79 -0.12 0.10 -1.17 0.02 0.00 0.00 175.26 174.87 3gtj s LEU 624 N -1.88 0.42 -0.24 1.80 2.96 -0.63 -0.25 118.68 120.86 3gtj s LEU 624 Ca -0.08 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 3gtj s LEU 624 Cb -0.04 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 3gtj s LEU 624 CO -0.03 -0.38 0.12 -0.54 -1.32 0.00 0.00 176.35 174.20 3gtj s LYS 625 N 2.12 3.90 -0.15 1.98 1.02 -1.13 -1.20 119.74 126.28 3gtj s LYS 625 Ca 0.04 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 3gtj s LYS 625 Cb -0.16 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 3gtj s LYS 625 CO -0.18 -0.02 -0.03 0.42 -0.92 0.00 0.00 175.35 174.61 3gtj s ILE 626 N 1.24 3.92 -0.06 2.17 1.09 -0.57 -1.26 121.20 127.73 3gtj s ILE 626 Ca 0.06 -0.35 0.06 0.00 -1.10 0.00 0.00 60.65 59.32 3gtj s ILE 626 Cb -0.14 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.53 3gtj s ILE 626 CO 0.05 0.50 -0.25 -0.36 -0.10 0.00 0.00 174.94 174.78 3gtj s PHE 627 N 0.31 2.44 0.00 3.97 2.99 -0.10 -2.09 117.98 125.50 3gtj s PHE 627 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 56.93 56.12 3gtj s PHE 627 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 43.02 41.27 3gtj s PHE 627 CO 0.03 -0.25 0.22 2.41 -0.00 0.00 0.00 175.22 177.63 3gtj n THR 628 N 3.04 0.01 -1.48 0.64 -1.04 -1.26 -1.92 114.28 112.27 3gtj n THR 628 Ca -0.18 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 3gtj n THR 628 Cb 0.52 1.56 0.07 0.00 -1.82 0.00 0.00 70.33 70.66 3gtj n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gtj n ASP 629 N -0.01 0.43 -4.66 8.00 4.64 -1.26 -3.76 116.55 119.94 3gtj n ASP 629 Ca 0.00 0.72 -0.38 0.00 -1.38 0.00 0.00 54.79 53.76 3gtj n ASP 629 Cb 0.15 -1.38 -0.08 0.00 -1.04 0.00 0.00 41.12 38.77 3gtj n ASP 629 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gtj s ALA 630 N -1.67 3.57 0.00 -1.67 0.00 -1.26 -4.43 121.76 116.30 3gtj s ALA 630 Ca 0.74 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3gtj s ALA 630 Cb -0.38 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3gtj s ALA 630 CO 0.49 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3gtj n GLY 631 N 4.13 0.92 3.76 0.00 0.00 -1.02 -4.70 105.19 108.28 3gtj n GLY 631 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3gtj n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtj s ARG 632 N 0.00 4.10 -0.07 1.61 0.52 -1.26 -2.50 118.95 121.35 3gtj s ARG 632 Ca 0.00 2.60 -0.05 0.00 -0.52 0.00 0.00 55.73 57.77 3gtj s ARG 632 Cb 0.00 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3gtj s ARG 632 CO 0.00 -0.63 0.15 0.08 0.02 0.00 0.00 175.30 174.92 3gtj s VAL 633 N -0.33 5.38 0.26 3.52 1.01 -1.26 -1.46 120.40 127.52 3gtj s VAL 633 Ca 0.60 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3gtj s VAL 633 Cb -0.48 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 3gtj s VAL 633 CO 0.53 0.49 0.32 0.00 0.00 0.00 0.00 175.10 176.43 3gtj n TYR 634 N 1.53 -0.99 -3.53 5.22 0.18 -1.08 -3.58 117.16 114.91 3gtj n TYR 634 Ca -0.16 -1.91 -0.09 0.00 1.88 0.00 0.00 57.90 57.62 3gtj n TYR 634 Cb 0.54 0.35 -0.03 0.00 -0.38 0.00 0.00 39.34 39.82 3gtj n TYR 634 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 3gtj s ARG 635 N -2.75 0.72 0.00 -3.48 1.70 -1.03 -2.79 118.95 111.31 3gtj s ARG 635 Ca 0.25 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 3gtj s ARG 635 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3gtj s ARG 635 CO 0.18 -0.28 0.00 -2.30 -1.08 0.00 0.00 175.30 171.81 3gtj n PRO 636 N 0.11 0.00 -1.05 3.89 -0.02 -1.26 -2.81 135.00 133.86 3gtj n PRO 636 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3gtj n PRO 636 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3gtj n PRO 636 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3gtj n LEU 637 N 0.00 0.00 -4.79 2.45 -0.00 -0.84 -3.00 117.00 110.82 3gtj n LEU 637 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 3gtj n LEU 637 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.49 3gtj n LEU 637 CO 0.00 0.00 0.70 -0.36 -0.00 0.00 0.00 177.39 177.73 3gtj s PHE 638 N -0.76 2.85 0.01 1.47 0.40 -0.99 -2.36 117.98 118.60 3gtj s PHE 638 Ca 0.00 1.47 0.07 0.00 -0.60 0.00 0.00 56.93 57.86 3gtj s PHE 638 Cb 0.00 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 3gtj s PHE 638 CO 0.00 -1.52 -0.20 0.42 0.70 0.00 0.00 175.22 174.61 3gtj s ILE 639 N -2.99 2.57 0.14 0.64 1.01 -0.89 -2.88 121.20 118.80 3gtj s ILE 639 Ca 0.60 -1.09 0.10 0.00 0.00 0.00 0.00 60.65 60.26 3gtj s ILE 639 Cb -0.15 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3gtj s ILE 639 CO 0.55 0.46 -0.24 -0.69 0.00 0.00 0.00 174.94 175.03 3gtj s VAL 640 N -0.78 2.10 -0.30 2.92 1.01 -0.03 -1.74 120.40 123.58 3gtj s VAL 640 Ca 0.12 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 3gtj s VAL 640 Cb -0.10 -1.91 0.16 0.00 0.00 0.00 0.00 36.38 34.53 3gtj s VAL 640 CO 0.02 -0.04 0.95 -0.70 0.00 0.00 0.00 175.10 175.33 3gtj s GLU 641 N -2.24 0.34 0.00 2.72 2.56 -0.55 -4.62 118.70 116.92 3gtj s GLU 641 Ca 0.14 0.79 0.10 0.00 0.00 0.00 0.00 54.97 56.00 3gtj s GLU 641 Cb -0.09 0.39 0.59 0.00 2.00 0.00 0.00 34.13 37.02 3gtj s GLU 641 CO 0.07 -0.11 1.03 -0.40 -0.56 0.00 0.00 175.26 175.29 3gtj n ASP 642 N 4.71 0.00 0.00 -1.70 5.75 -1.26 -3.23 116.55 120.82 3gtj n ASP 642 Ca -0.12 -0.63 0.02 0.00 -0.01 0.00 0.00 54.79 54.05 3gtj n ASP 642 Cb 0.53 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.72 3gtj n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gtj n ASP 643 N -0.83 0.00 -4.76 -1.12 9.92 -1.26 -4.70 116.55 113.80 3gtj n ASP 643 Ca 0.07 -0.15 -0.40 0.00 -0.53 0.00 0.00 54.79 53.79 3gtj n ASP 643 Cb 0.03 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.46 3gtj n ASP 643 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3gtj s GLU 644 N -2.00 4.70 0.00 -1.24 -6.30 -1.20 -5.04 118.70 107.63 3gtj s GLU 644 Ca 0.05 1.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.85 3gtj s GLU 644 Cb 0.02 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.86 3gtj s GLU 644 CO 0.04 0.49 0.15 0.45 0.02 0.00 0.00 175.26 176.41 3gtj n SER 645 N 1.77 0.00 -3.86 -1.70 2.88 -1.26 -4.40 113.62 107.04 3gtj n SER 645 Ca -0.03 0.32 -0.37 0.00 -1.33 0.00 0.00 58.87 57.46 3gtj n SER 645 Cb 0.48 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 3gtj n SER 645 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gtj n LEU 646 N -1.15 5.23 0.00 2.46 4.77 -1.26 -4.57 117.00 122.48 3gtj n LEU 646 Ca 0.00 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 3gtj n LEU 646 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3gtj n LEU 646 CO 0.00 1.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.43 3gtj n GLY 647 N 1.41 0.00 7.00 -0.72 0.00 -1.26 -5.16 105.19 106.45 3gtj n GLY 647 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3gtj n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gtj n HIS 648 N 0.00 0.00 -3.70 1.61 1.44 -1.26 -4.41 115.22 108.90 3gtj n HIS 648 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 3gtj n HIS 648 Cb 0.00 0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.00 3gtj n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3gtj s LYS 649 N 0.00 3.77 0.21 -1.40 2.20 -1.26 -4.30 119.74 118.96 3gtj s LYS 649 Ca 0.00 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3gtj s LYS 649 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3gtj s LYS 649 CO 0.00 -0.17 0.17 -2.00 -0.36 0.00 0.00 175.35 172.99 3gtj s GLU 650 N 1.63 1.24 0.64 4.03 2.56 -1.25 -4.97 118.70 122.59 3gtj s GLU 650 Ca 0.07 -1.59 -0.15 0.00 0.00 0.00 0.00 54.97 53.30 3gtj s GLU 650 Cb -0.15 0.29 -0.01 0.00 2.00 0.00 0.00 34.13 36.26 3gtj s GLU 650 CO 0.06 -0.42 1.09 -0.51 -0.56 0.00 0.00 175.26 174.92 3gtj s LEU 651 N -3.15 3.40 -0.09 2.70 1.43 -1.26 -1.47 118.68 120.23 3gtj s LEU 651 Ca 0.37 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 3gtj s LEU 651 Cb 0.06 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.74 3gtj s LEU 651 CO 0.12 -1.48 -0.02 0.11 0.23 0.00 0.00 176.35 175.31 3gtj h LYS 652 N 0.08 0.00 -6.01 1.70 1.57 -1.71 -3.45 116.57 108.75 3gtj h LYS 652 Ca -0.46 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.61 3gtj h LYS 652 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3gtj h LYS 652 CO 0.55 0.00 1.33 0.28 -0.57 0.00 0.00 179.45 181.04 3gtj n VAL 653 N -4.49 0.15 -2.86 0.50 0.31 -1.26 -4.96 118.33 105.71 3gtj n VAL 653 Ca -0.01 -0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 63.94 3gtj n VAL 653 Cb 0.03 -1.29 0.08 0.00 -0.91 0.00 0.00 33.84 31.75 3gtj n VAL 653 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtj s ARG 654 N 5.84 2.04 0.39 5.55 1.81 -1.26 -3.38 118.95 129.93 3gtj s ARG 654 Ca 1.11 -1.45 0.09 0.00 -1.72 0.00 0.00 55.73 53.77 3gtj s ARG 654 Cb -1.05 -2.52 0.81 0.00 -0.45 0.00 0.00 34.95 31.73 3gtj s ARG 654 CO 0.56 -1.11 1.94 -0.22 -0.68 0.00 0.00 175.30 175.78 3gtj h LYS 655 N -0.11 0.27 -0.68 3.54 3.64 -0.97 -1.67 116.57 120.58 3gtj h LYS 655 Ca -0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3gtj h LYS 655 Cb 1.28 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3gtj h LYS 655 CO 0.40 0.37 0.44 0.78 -2.27 0.00 0.00 179.45 179.16 3gtj h GLY 656 N 0.69 0.97 1.11 5.01 0.00 -1.81 -2.16 103.07 106.87 3gtj h GLY 656 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3gtj h GLY 656 CO 0.02 0.37 0.08 0.45 0.00 0.00 0.00 176.54 177.45 3gtj h HIS 657 N 0.93 1.16 -0.29 5.60 3.86 -1.59 -2.81 115.15 122.01 3gtj h HIS 657 Ca 0.25 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3gtj h HIS 657 Cb -0.08 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.06 3gtj h HIS 657 CO 0.00 0.98 -0.03 0.97 0.86 0.00 0.00 177.93 180.71 3gtj h ILE 658 N 1.01 1.19 -0.02 2.45 6.09 -1.20 -2.77 117.51 124.26 3gtj h ILE 658 Ca 0.19 -0.79 -0.01 0.00 -1.37 0.00 0.00 64.86 62.89 3gtj h ILE 658 Cb 0.47 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3gtj h ILE 658 CO 0.02 0.26 -0.01 0.00 -3.07 0.00 0.00 178.15 175.35 3gtj h ALA 659 N 1.53 0.02 0.00 0.18 0.00 -1.18 -2.35 119.26 117.46 3gtj h ALA 659 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gtj h ALA 659 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gtj h ALA 659 CO 0.01 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.65 3gtj n LYS 660 N -4.84 0.09 0.01 0.00 5.02 -1.12 -0.34 118.16 116.97 3gtj n LYS 660 Ca -0.08 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 56.64 3gtj n LYS 660 Cb 0.24 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.35 3gtj n LYS 660 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gtj h LEU 661 N 0.00 0.15 0.00 -0.35 3.38 -1.15 -3.35 115.31 113.99 3gtj h LEU 661 Ca 0.00 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 3gtj h LEU 661 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gtj h LEU 661 CO 0.00 1.25 -1.46 0.23 0.09 0.00 0.00 178.44 178.55 3gtj n MET 662 N -3.23 0.62 0.00 1.13 2.81 -0.73 -3.61 117.12 114.11 3gtj n MET 662 Ca -0.18 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3gtj n MET 662 Cb 1.04 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3gtj n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtj n ALA 663 N -2.42 1.89 0.00 3.04 0.00 0.54 -1.54 120.51 122.03 3gtj n ALA 663 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gtj n ALA 663 Cb 0.87 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3gtj n ALA 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gtj n THR 664 N -0.14 0.00 0.49 0.00 -1.04 -1.25 -4.25 114.28 108.08 3gtj n THR 664 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3gtj n THR 664 Cb 0.06 -0.82 0.39 0.00 -1.82 0.00 0.00 70.33 68.14 3gtj n THR 664 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3gtj h GLU 665 N 0.00 0.00 0.00 -2.82 5.08 -1.54 -3.00 114.58 112.30 3gtj h GLU 665 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3gtj h GLU 665 Cb 0.90 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3gtj h GLU 665 CO 0.00 0.00 -2.40 0.98 -1.00 0.00 0.00 179.01 176.59 3gtj n TYR 666 N -2.48 0.01 -0.15 4.33 9.36 -0.59 -4.52 117.16 123.11 3gtj n TYR 666 Ca 0.04 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.24 3gtj n TYR 666 Cb 0.41 -1.00 0.06 0.00 -0.63 0.00 0.00 39.34 38.18 3gtj n TYR 666 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3gtj h GLN 667 N 0.00 0.14 -1.96 2.98 -0.00 -1.70 -1.75 115.11 112.81 3gtj h GLN 667 Ca -0.55 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.65 57.79 3gtj h GLN 667 Cb 2.19 -0.03 -0.11 0.00 0.00 0.00 0.00 27.48 29.53 3gtj h GLN 667 CO 0.01 0.09 -0.00 -0.40 0.00 0.00 0.00 178.83 178.53 3gtj n ASP 668 N -5.20 5.80 0.06 -0.69 5.68 -1.16 -4.12 116.55 116.91 3gtj n ASP 668 Ca 0.05 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 3gtj n ASP 668 Cb 0.26 -1.30 0.00 0.00 -1.14 0.00 0.00 41.12 38.94 3gtj n ASP 668 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gtj n ILE 669 N 1.64 1.09 0.00 2.12 5.41 -0.66 -5.02 119.36 123.94 3gtj n ILE 669 Ca 0.40 0.36 0.00 0.00 1.00 0.00 0.00 62.75 64.51 3gtj n ILE 669 Cb 0.72 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3gtj n ILE 669 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3gtj n GLU 670 N -3.48 0.00 -2.36 0.38 4.07 -1.26 -4.82 120.64 113.18 3gtj n GLU 670 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 3gtj n GLU 670 Cb 0.00 -0.18 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 3gtj n GLU 670 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gtj n GLY 671 N 2.16 4.60 2.24 8.31 0.00 -1.26 -4.82 105.19 116.41 3gtj n GLY 671 Ca 0.00 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 3gtj n GLY 671 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtj n GLY 672 N 3.01 4.90 2.60 -0.02 0.00 -1.26 -4.70 105.19 109.72 3gtj n GLY 672 Ca 0.40 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 3gtj n GLY 672 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gtj n PHE 673 N -0.10 2.13 -3.32 1.61 -0.00 -1.26 -4.87 117.46 111.65 3gtj n PHE 673 Ca 0.47 -2.12 -0.10 0.00 -0.00 0.00 0.00 57.45 55.70 3gtj n PHE 673 Cb 0.57 -1.30 0.01 0.00 -0.00 0.00 0.00 39.48 38.76 3gtj n PHE 673 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3gtj n GLU 674 N 0.29 -1.42 -2.27 -4.13 1.02 -1.26 -4.97 120.64 107.91 3gtj n GLU 674 Ca 0.50 1.19 -0.37 0.00 -0.02 0.00 0.00 57.16 58.47 3gtj n GLU 674 Cb 0.45 -4.69 0.02 0.00 -0.02 0.00 0.00 31.44 27.20 3gtj n GLU 674 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtj n ASP 675 N -2.14 6.72 -2.82 1.62 8.00 -1.26 -4.92 116.55 121.76 3gtj n ASP 675 Ca -0.10 -3.77 -0.00 0.00 0.71 0.00 0.00 54.79 51.63 3gtj n ASP 675 Cb 0.57 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3gtj n ASP 675 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3gtj n VAL 676 N -0.40-10.07 -4.41 2.53 0.31 -1.26 -5.02 118.33 100.01 3gtj n VAL 676 Ca 0.48 1.58 -0.34 0.00 -0.01 0.00 0.00 64.34 66.05 3gtj n VAL 676 Cb 0.33 -6.16 -0.12 0.00 -0.91 0.00 0.00 33.84 26.98 3gtj n VAL 676 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3gtj s GLU 677 N -1.52 3.53 -0.00 5.55 2.02 -1.26 -5.07 118.70 121.94 3gtj s GLU 677 Ca 0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 3gtj s GLU 677 Cb -0.00 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.37 3gtj s GLU 677 CO 0.63 0.33 0.21 -0.85 0.02 0.00 0.00 175.26 175.60 3gtj n GLU 678 N 3.27 0.04 -2.33 1.61 0.00 -1.26 -5.11 120.64 116.85 3gtj n GLU 678 Ca -0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 57.16 56.81 3gtj n GLU 678 Cb 0.53 0.23 0.00 0.00 0.00 0.00 0.00 31.44 32.20 3gtj n GLU 678 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3gtj n TYR 679 N -0.15 -2.01 -2.14 -1.84 9.36 -1.26 -4.81 117.16 114.30 3gtj n TYR 679 Ca 0.01 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.03 3gtj n TYR 679 Cb 0.10 -3.05 0.00 0.00 -0.63 0.00 0.00 39.34 35.76 3gtj n TYR 679 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3gtj n THR 680 N -0.64 0.00 0.06 2.97 -2.24 -1.26 -4.78 114.28 108.40 3gtj n THR 680 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 3gtj n THR 680 Cb 0.33 -0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 67.63 3gtj n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3gtj h TRP 681 N 0.00 -0.15 -0.04 4.78 2.91 -1.96 -3.28 115.95 118.21 3gtj h TRP 681 Ca 0.00 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.03 3gtj h TRP 681 Cb 0.00 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3gtj h TRP 681 CO 0.00 0.20 0.14 0.77 -1.03 0.00 0.00 178.44 178.52 3gtj h SER 682 N -0.53 0.00 -0.71 2.65 0.02 -1.97 0.26 113.55 113.27 3gtj h SER 682 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3gtj h SER 682 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3gtj h SER 682 CO 0.03 0.00 0.39 0.77 -1.14 0.00 0.00 176.83 176.88 3gtj h SER 683 N 0.00 0.90 0.12 3.07 4.64 -1.95 -2.75 113.55 117.57 3gtj h SER 683 Ca 0.02 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3gtj h SER 683 Cb 0.30 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3gtj h SER 683 CO -0.00 0.72 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.56 3gtj h LEU 684 N 1.01 -0.14 -1.30 5.97 3.38 -0.64 -2.04 115.31 121.55 3gtj h LEU 684 Ca 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gtj h LEU 684 Cb 0.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gtj h LEU 684 CO -0.04 0.22 0.27 0.25 0.09 0.00 0.00 178.44 179.23 3gtj h LEU 685 N -0.51 0.00 0.00 1.67 5.85 -1.43 -1.71 115.31 119.18 3gtj h LEU 685 Ca -0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 3gtj h LEU 685 Cb 0.41 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3gtj h LEU 685 CO 0.03 0.00 -2.10 0.59 -0.34 0.00 0.00 178.44 176.61 3gtj n ASN 686 N -2.34 2.03 0.00 1.25 3.02 -1.05 -4.33 115.26 113.85 3gtj n ASN 686 Ca -0.01 -0.07 0.07 0.00 -0.03 0.00 0.00 54.58 54.53 3gtj n ASN 686 Cb 0.30 0.09 0.35 0.00 -0.61 0.00 0.00 39.78 39.92 3gtj n ASN 686 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gtj n GLU 687 N -2.91 0.22 -2.02 3.52 1.02 -0.78 -4.26 120.64 115.44 3gtj n GLU 687 Ca -0.32 0.14 -0.03 0.00 -0.02 0.00 0.00 57.16 56.93 3gtj n GLU 687 Cb 0.92 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3gtj n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtj n GLY 688 N -0.13 -1.21 0.00 0.62 0.00 -0.70 -4.99 105.19 98.78 3gtj n GLY 688 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3gtj n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 689 N -0.34 0.00 -3.98 0.99 4.77 -1.18 -4.97 117.00 112.29 3gtj n LEU 689 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3gtj n LEU 689 Cb 0.16 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 3gtj n LEU 689 CO 0.19 0.00 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.16 3gtj s VAL 690 N 0.00 0.36 -0.04 4.08 1.01 -1.26 -2.10 120.40 122.45 3gtj s VAL 690 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3gtj s VAL 690 Cb 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.03 3gtj s VAL 690 CO 0.00 -0.12 -0.00 -1.61 0.00 0.00 0.00 175.10 173.37 3gtj s GLU 691 N -0.70 0.42 -0.68 2.72 2.02 -1.00 -4.68 118.70 116.80 3gtj s GLU 691 Ca -0.04 0.07 -0.27 0.00 0.02 0.00 0.00 54.97 54.75 3gtj s GLU 691 Cb -0.05 -0.64 0.02 0.00 0.10 0.00 0.00 34.13 33.56 3gtj s GLU 691 CO -0.00 -0.17 1.39 0.71 0.02 0.00 0.00 175.26 177.21 3gtj s TYR 692 N 1.26 2.20 -0.21 1.61 4.12 -1.16 -1.98 117.35 123.19 3gtj s TYR 692 Ca -0.06 0.20 -0.16 0.00 0.02 0.00 0.00 57.07 57.06 3gtj s TYR 692 Cb -0.13 -4.50 -0.04 0.00 -1.52 0.00 0.00 41.96 35.77 3gtj s TYR 692 CO -0.02 -2.07 0.43 0.42 0.02 0.00 0.00 175.55 174.33 3gtj s ILE 693 N 6.29 5.17 0.42 2.71 -1.09 -1.12 -4.84 121.20 128.74 3gtj s ILE 693 Ca 0.43 0.76 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 3gtj s ILE 693 Cb -0.09 -3.76 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 3gtj s ILE 693 CO 0.18 0.22 0.58 -0.90 -1.23 0.00 0.00 174.94 173.79 3gtj n ASP 694 N 4.65 1.14 -0.07 3.58 5.75 -1.26 -2.46 116.55 127.88 3gtj n ASP 694 Ca -0.07 -1.88 -0.15 0.00 -0.01 0.00 0.00 54.79 52.68 3gtj n ASP 694 Cb 0.51 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3gtj n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gtj h ALA 695 N -0.12 0.41 0.01 2.12 0.00 -1.89 -2.58 119.26 117.21 3gtj h ALA 695 Ca -0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3gtj h ALA 695 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gtj h ALA 695 CO 0.24 0.62 -0.01 1.49 0.00 0.00 0.00 179.25 181.60 3gtj h GLU 696 N 0.58 -0.02 0.00 0.00 4.57 -1.91 -2.34 114.58 115.46 3gtj h GLU 696 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3gtj h GLU 696 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3gtj h GLU 696 CO 0.12 0.07 0.00 -1.91 -1.18 0.00 0.00 179.01 176.11 3gtj n GLU 697 N -5.06 0.15 0.00 1.92 2.13 -1.23 -2.32 120.64 116.24 3gtj n GLU 697 Ca -0.07 0.49 0.08 0.00 0.66 0.00 0.00 57.16 58.31 3gtj n GLU 697 Cb 0.08 -1.84 0.40 0.00 0.27 0.00 0.00 31.44 30.35 3gtj n GLU 697 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3gtj n GLU 698 N -2.13 0.19 0.15 5.31 2.13 -0.88 -2.89 120.64 122.52 3gtj n GLU 698 Ca 0.01 0.15 0.12 0.00 0.66 0.00 0.00 57.16 58.10 3gtj n GLU 698 Cb 0.14 -1.50 0.19 0.00 0.27 0.00 0.00 31.44 30.54 3gtj n GLU 698 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3gtj h GLU 699 N 0.00 0.00 -0.12 5.31 4.39 -1.57 -3.35 114.58 119.25 3gtj h GLU 699 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gtj h GLU 699 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3gtj h GLU 699 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3gtj n SER 700 N -2.71 2.48 -4.48 1.42 3.41 -1.14 -5.02 113.62 107.59 3gtj n SER 700 Ca 0.03 -1.71 -0.25 0.00 -0.26 0.00 0.00 58.87 56.69 3gtj n SER 700 Cb 0.50 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 3gtj n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gtj s ILE 701 N -1.21 2.55 -0.62 -1.33 -0.00 -1.26 -5.10 121.20 114.24 3gtj s ILE 701 Ca 0.21 -2.26 0.04 0.00 -0.00 0.00 0.00 60.65 58.64 3gtj s ILE 701 Cb 0.13 -2.31 0.15 0.00 -0.00 0.00 0.00 42.46 40.44 3gtj s ILE 701 CO 0.20 -0.32 0.38 -0.22 -0.00 0.00 0.00 174.94 174.98 3gtj s LEU 702 N -3.30 4.54 0.15 0.37 2.96 -1.26 -5.06 118.68 117.08 3gtj s LEU 702 Ca 0.28 -3.46 -0.31 0.00 -0.22 0.00 0.00 54.13 50.42 3gtj s LEU 702 Cb -0.06 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 44.93 3gtj s LEU 702 CO 0.14 -0.15 1.32 -0.63 -1.32 0.00 0.00 176.35 175.71 3gtj s ILE 703 N -0.90 3.37 0.80 6.68 1.01 -1.26 -3.08 121.20 127.81 3gtj s ILE 703 Ca 0.21 1.05 -0.09 0.00 0.00 0.00 0.00 60.65 61.82 3gtj s ILE 703 Cb -0.14 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.77 3gtj s ILE 703 CO -0.09 0.12 1.13 0.00 0.00 0.00 0.00 174.94 176.10 3gtj s ALA 704 N 0.59 2.91 -0.08 9.38 0.00 -1.24 -4.94 121.76 128.38 3gtj s ALA 704 Ca 0.60 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3gtj s ALA 704 Cb -0.35 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 3gtj s ALA 704 CO 0.34 -1.72 -0.12 -0.12 0.00 0.00 0.00 175.76 174.14 3gtj n MET 705 N -3.21 0.19 -3.75 0.00 1.56 -1.26 -2.64 117.12 108.00 3gtj n MET 705 Ca 0.11 0.08 -0.37 0.00 -0.27 0.00 0.00 57.70 57.26 3gtj n MET 705 Cb 0.60 -0.82 -0.12 0.00 2.15 0.00 0.00 33.22 35.04 3gtj n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3gtj s GLN 706 N -2.18 2.30 0.18 2.12 -0.21 -1.26 -4.56 119.66 116.05 3gtj s GLN 706 Ca -0.12 -1.56 -0.18 0.00 0.02 0.00 0.00 55.36 53.51 3gtj s GLN 706 Cb 0.05 -3.54 0.12 0.00 1.00 0.00 0.00 33.01 30.63 3gtj s GLN 706 CO 0.16 -0.92 1.30 -2.30 -2.12 0.00 0.00 175.29 171.41 3gtj n PRO 707 N 4.70 -0.25 0.19 2.91 -0.02 -1.26 -0.56 135.00 140.72 3gtj n PRO 707 Ca -0.07 1.29 -0.08 0.00 -2.02 0.00 0.00 63.50 62.62 3gtj n PRO 707 Cb 0.42 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 3gtj n PRO 707 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gtj h GLU 708 N 0.00 -0.50 0.00 -0.52 4.11 -1.90 -3.31 114.58 112.46 3gtj h GLU 708 Ca 0.24 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3gtj h GLU 708 Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3gtj h GLU 708 CO -0.82 -0.33 0.00 -0.25 0.07 0.00 0.00 179.01 177.68 3gtj n ASP 709 N -4.08 0.00 -0.41 3.06 10.43 -1.17 -3.10 116.55 121.28 3gtj n ASP 709 Ca -0.06 -0.76 0.09 0.00 2.57 0.00 0.00 54.79 56.63 3gtj n ASP 709 Cb 0.20 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.16 3gtj n ASP 709 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3gtj n LEU 710 N -0.94 1.77 -2.78 0.64 7.99 0.28 -4.73 117.00 119.23 3gtj n LEU 710 Ca 0.14 -0.75 -0.10 0.00 -0.01 0.00 0.00 56.01 55.29 3gtj n LEU 710 Cb 0.07 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.45 3gtj n LEU 710 CO 0.11 0.34 0.28 -1.84 -1.51 0.00 0.00 177.39 174.76 3gtj n GLU 711 N -0.14 1.06 -0.13 3.23 0.28 -1.18 -4.92 120.64 118.84 3gtj n GLU 711 Ca 0.08 -2.16 -0.24 0.00 -0.16 0.00 0.00 57.16 54.67 3gtj n GLU 711 Cb 0.39 -0.92 -0.11 0.00 1.43 0.00 0.00 31.44 32.23 3gtj n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3gtj n PRO 712 N 0.13 0.62 -3.50 3.44 -0.04 -1.25 -5.00 135.00 129.40 3gtj n PRO 712 Ca 0.07 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3gtj n PRO 712 Cb 0.73 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 3gtj n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtj n ALA 713 N -3.72 0.00 -2.66 0.55 0.00 -1.26 -5.16 120.51 108.26 3gtj n ALA 713 Ca -0.49 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 3gtj n ALA 713 Cb 0.93 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 3gtj n ALA 713 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gtj s GLU 714 N -2.00 2.99 0.30 0.00 0.41 -1.26 -5.05 118.70 114.09 3gtj s GLU 714 Ca 0.00 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.48 3gtj s GLU 714 Cb 0.00 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 3gtj s GLU 714 CO 0.00 0.22 0.00 0.00 -0.49 0.00 0.00 175.26 174.99 3gtj n ALA 715 N -1.39 2.71 -0.12 5.21 0.00 -1.26 -5.04 120.51 120.62 3gtj n ALA 715 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 3gtj n ALA 715 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3gtj n ALA 715 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gtj n ASN 716 N -3.45 2.10 0.00 0.00 4.13 -1.26 -5.12 115.26 111.66 3gtj n ASN 716 Ca 0.00 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.23 3gtj n ASN 716 Cb 0.00 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 3gtj n ASN 716 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gtj n GLU 717 N -3.38 0.00 0.00 3.52 1.02 -1.26 -5.04 120.64 115.50 3gtj n GLU 717 Ca -0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 3gtj n GLU 717 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.34 3gtj n GLU 717 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3gtj n GLU 718 N 0.00 0.00 0.00 3.49 4.07 -1.26 0.21 120.64 127.15 3gtj n GLU 718 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 3gtj n GLU 718 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 3gtj n GLU 718 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3gtj n ASN 719 N 0.00 1.16 -4.72 4.31 5.15 -1.26 -4.98 115.26 114.92 3gtj n ASN 719 Ca 0.00 -1.08 -0.42 0.00 -0.60 0.00 0.00 54.58 52.48 3gtj n ASN 719 Cb 0.00 0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 40.11 3gtj n ASN 719 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3gtj s ASP 720 N -2.77 6.88 0.27 1.20 1.01 0.57 -5.02 116.67 118.81 3gtj s ASP 720 Ca 0.10 2.31 -0.29 0.00 0.71 0.00 0.00 52.55 55.37 3gtj s ASP 720 Cb 0.15 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3gtj s ASP 720 CO 0.76 -0.59 1.23 -0.76 0.21 0.00 0.00 175.17 176.02 3gtj s LEU 721 N 0.74 4.47 0.22 1.23 1.43 -1.26 -4.60 118.68 120.90 3gtj s LEU 721 Ca 0.61 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 56.19 3gtj s LEU 721 Cb -0.36 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 3gtj s LEU 721 CO 0.32 -0.39 -0.01 1.51 0.23 0.00 0.00 176.35 178.02 3gtj s ASP 722 N -0.37 1.74 0.11 2.29 -4.77 -1.26 -5.01 116.67 109.39 3gtj s ASP 722 Ca 0.50 -1.20 0.02 0.00 -3.30 0.00 0.00 52.55 48.57 3gtj s ASP 722 Cb -0.36 0.03 -0.01 0.00 -1.09 0.00 0.00 42.92 41.49 3gtj s ASP 722 CO 0.44 -0.51 0.09 1.33 0.70 0.00 0.00 175.17 177.22 3gtj n VAL 723 N -0.38 0.00 -3.25 2.11 0.24 -1.26 -5.08 118.33 110.70 3gtj n VAL 723 Ca -0.05 -0.77 -0.43 0.00 -2.04 0.00 0.00 64.34 61.05 3gtj n VAL 723 Cb 0.64 0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 33.31 3gtj n VAL 723 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gtj s ASP 724 N -1.74 6.25 0.42 -1.34 -1.08 -1.26 -4.97 116.67 112.95 3gtj s ASP 724 Ca 0.13 -0.44 0.13 0.00 -0.52 0.00 0.00 52.55 51.85 3gtj s ASP 724 Cb 0.01 -2.26 1.00 0.00 -1.46 0.00 0.00 42.92 40.21 3gtj s ASP 724 CO 0.09 -0.60 1.96 -0.65 0.52 0.00 0.00 175.17 176.49 3gtj h PRO 725 N 8.70 0.44 0.00 4.34 0.11 -2.01 -2.71 132.00 140.87 3gtj h PRO 725 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gtj h PRO 725 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gtj h PRO 725 CO 0.81 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.89 3gtj n ALA 726 N -2.51 2.28 -1.82 -0.75 0.00 -1.26 -4.86 120.51 111.60 3gtj n ALA 726 Ca 0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3gtj n ALA 726 Cb 0.41 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.44 3gtj n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gtj s LYS 727 N -3.07 2.79 0.74 0.00 1.02 -1.02 -4.92 119.74 115.27 3gtj s LYS 727 Ca 0.12 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.52 3gtj s LYS 727 Cb 0.14 -2.01 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 3gtj s LYS 727 CO 0.57 -1.10 1.12 -0.98 -0.92 0.00 0.00 175.35 174.04 3gtj s ARG 728 N -5.30 2.58 -0.28 1.68 1.70 -1.26 -5.04 118.95 113.02 3gtj s ARG 728 Ca 0.58 0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 56.11 3gtj s ARG 728 Cb -0.12 -2.00 -0.05 0.00 -0.57 0.00 0.00 34.95 32.22 3gtj s ARG 728 CO 0.52 -1.22 0.20 0.42 -1.08 0.00 0.00 175.30 174.14 3gtj s ILE 729 N -3.41 5.30 -0.07 4.99 -1.09 -1.26 -5.08 121.20 120.58 3gtj s ILE 729 Ca 0.59 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 59.15 3gtj s ILE 729 Cb -0.11 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3gtj s ILE 729 CO 0.51 0.23 0.05 -0.60 -1.23 0.00 0.00 174.94 173.90 3gtj s ARG 730 N 1.77 3.08 0.11 2.79 3.52 -1.26 -5.01 118.95 123.94 3gtj s ARG 730 Ca 0.07 -0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 55.13 3gtj s ARG 730 Cb -0.16 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 3gtj s ARG 730 CO 0.11 0.70 0.93 0.28 -0.81 0.00 0.00 175.30 176.51 3gtj n VAL 731 N 1.84 -0.39 0.00 7.11 0.31 -1.26 -4.96 118.33 120.98 3gtj n VAL 731 Ca -0.17 1.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.60 3gtj n VAL 731 Cb 0.54 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3gtj n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3gtj n SER 732 N -4.78 -0.09 -4.69 4.52 7.64 -1.26 -4.99 113.62 109.97 3gtj n SER 732 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 3gtj n SER 732 Cb 0.18 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3gtj n SER 732 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3gtj s HIS 733 N -1.64 3.18 0.00 1.43 -3.43 -1.26 -4.89 115.29 108.68 3gtj s HIS 733 Ca 0.00 1.18 0.00 0.00 -0.80 0.00 0.00 55.06 55.44 3gtj s HIS 733 Cb 0.00 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.70 3gtj s HIS 733 CO 0.00 -1.45 0.00 0.72 -2.00 0.00 0.00 174.74 172.01 3gtj n HIS 734 N 5.03 0.00 -3.93 0.38 8.25 -1.26 -5.00 115.22 118.68 3gtj n HIS 734 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 3gtj n HIS 734 Cb 0.46 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 3gtj n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtj s ALA 735 N -1.63 3.54 -0.42 -1.41 0.00 -1.26 -5.06 121.76 115.51 3gtj s ALA 735 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3gtj s ALA 735 Cb 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 23.12 21.29 3gtj s ALA 735 CO 0.00 0.25 0.25 0.99 0.00 0.00 0.00 175.76 177.25 3gtj s THR 736 N 0.13 1.00 -0.45 0.00 2.01 -1.26 -4.79 115.64 112.27 3gtj s THR 736 Ca 0.06 -2.38 0.05 0.00 0.31 0.00 0.00 61.69 59.73 3gtj s THR 736 Cb -0.12 -1.71 0.27 0.00 0.01 0.00 0.00 72.50 70.96 3gtj s THR 736 CO 0.00 -0.96 1.03 0.35 -0.69 0.00 0.00 174.62 174.35 3gtj n THR 737 N 3.57 0.00 -1.89 -0.82 -2.24 -1.26 -5.16 114.28 106.48 3gtj n THR 737 Ca 0.12 -1.36 -0.29 0.00 -2.27 0.00 0.00 64.05 60.25 3gtj n THR 737 Cb 0.36 1.43 0.09 0.00 -2.10 0.00 0.00 70.33 70.11 3gtj n THR 737 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gtj s PHE 738 N 0.47 2.96 0.00 4.78 0.40 -1.26 -4.81 117.98 120.52 3gtj s PHE 738 Ca 0.28 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 3gtj s PHE 738 Cb 0.25 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 40.32 3gtj s PHE 738 CO -0.17 -1.75 0.00 0.25 0.70 0.00 0.00 175.22 174.25 3gtj n THR 739 N -3.31 0.00 -3.24 0.64 -2.24 -1.18 -4.82 114.28 100.13 3gtj n THR 739 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3gtj n THR 739 Cb 0.61 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3gtj n THR 739 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gtj n HIS 740 N -1.99 -0.16 -3.64 4.78 8.25 -1.26 -0.85 115.22 120.35 3gtj n HIS 740 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3gtj n HIS 740 Cb 0.08 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 3gtj n HIS 740 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtj s GLU 742 N 0.09 3.67 -0.01 0.00 2.56 -1.08 -2.34 118.70 121.58 3gtj s GLU 742 Ca 0.04 1.21 -0.24 0.00 0.00 0.00 0.00 54.97 55.98 3gtj s GLU 742 Cb -0.05 -2.08 -0.17 0.00 2.00 0.00 0.00 34.13 33.83 3gtj s GLU 742 CO -0.09 -0.52 1.17 0.82 -0.56 0.00 0.00 175.26 176.08 3gtj h ILE 743 N 1.02 0.85 -1.04 -3.70 1.08 -1.93 -3.45 117.51 110.35 3gtj h ILE 743 Ca -0.48 -0.79 0.19 0.00 -0.39 0.00 0.00 64.86 63.39 3gtj h ILE 743 Cb 1.21 1.28 -0.30 0.00 -3.07 0.00 0.00 36.82 35.94 3gtj h ILE 743 CO 0.59 0.16 0.60 -2.28 -0.69 0.00 0.00 178.15 176.53 3gtj s HIS 744 N -4.36 -0.23 0.49 1.37 2.46 -1.26 -4.84 115.29 108.92 3gtj s HIS 744 Ca -0.14 0.44 0.18 0.00 0.47 0.00 0.00 55.06 56.02 3gtj s HIS 744 Cb 0.02 0.14 1.22 0.00 -0.13 0.00 0.00 32.58 33.82 3gtj s HIS 744 CO 0.55 -0.11 2.03 -1.35 -2.47 0.00 0.00 174.74 173.39 3gtj h PRO 745 N 5.78 0.16 0.00 2.88 0.11 -1.90 0.65 132.00 139.68 3gtj h PRO 745 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gtj h PRO 745 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gtj h PRO 745 CO 0.19 0.11 0.26 0.66 -0.21 0.00 0.00 178.00 179.00 3gtj h SER 746 N 0.16 0.00 0.37 -2.05 4.64 -1.97 0.14 113.55 114.84 3gtj h SER 746 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3gtj h SER 746 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3gtj h SER 746 CO -0.03 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.16 3gtj n MET 747 N -2.39 0.45 0.10 4.77 2.81 0.22 -2.70 117.12 120.38 3gtj n MET 747 Ca -0.01 0.04 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3gtj n MET 747 Cb 0.29 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.74 3gtj n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3gtj n ILE 748 N -1.22 0.88 -2.24 2.02 -5.35 0.49 -4.20 119.36 109.74 3gtj n ILE 748 Ca 0.13 0.25 -0.26 0.00 -0.27 0.00 0.00 62.75 62.60 3gtj n ILE 748 Cb 0.17 -1.14 0.06 0.00 -1.74 0.00 0.00 39.64 37.00 3gtj n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gtj s LEU 749 N -4.10 2.91 0.53 7.28 1.43 -1.10 -4.24 118.68 121.40 3gtj s LEU 749 Ca 0.05 0.53 0.09 0.00 -1.03 0.00 0.00 54.13 53.76 3gtj s LEU 749 Cb 0.09 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 43.14 3gtj s LEU 749 CO 0.35 -1.47 0.67 -0.83 0.23 0.00 0.00 176.35 175.30 3gtj s GLY 750 N -4.46 1.89 0.24 -3.19 0.00 -1.26 -2.06 107.32 98.48 3gtj s GLY 750 Ca 0.59 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 3gtj s GLY 750 CO 0.45 -1.68 1.75 -0.24 0.00 0.00 0.00 173.10 173.38 3gtj h VAL 751 N 0.41 0.73 0.00 1.40 3.04 -1.91 -1.83 116.25 118.09 3gtj h VAL 751 Ca -0.34 -0.19 -0.17 0.00 -1.01 0.00 0.00 66.70 65.00 3gtj h VAL 751 Cb 1.29 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 3gtj h VAL 751 CO 0.45 0.10 -0.90 0.00 -1.01 0.00 0.00 177.57 176.21 3gtj h ALA 752 N 1.52 0.56 0.04 3.17 0.00 -1.93 -3.33 119.26 119.28 3gtj h ALA 752 Ca 0.41 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 3gtj h ALA 752 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gtj h ALA 752 CO -0.35 0.96 -1.08 0.00 0.00 0.00 0.00 179.25 178.78 3gtj h ALA 753 N 1.27 0.28 0.00 0.00 0.00 -1.84 -3.17 119.26 115.80 3gtj h ALA 753 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3gtj h ALA 753 Cb 1.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3gtj h ALA 753 CO 0.09 1.17 0.00 0.43 0.00 0.00 0.00 179.25 180.94 3gtj n SER 754 N -3.40 0.00 0.15 0.00 7.64 -0.72 -1.75 113.62 115.53 3gtj n SER 754 Ca -0.03 -1.22 0.03 0.00 1.01 0.00 0.00 58.87 58.66 3gtj n SER 754 Cb 0.97 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.24 3gtj n SER 754 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gtj h ILE 755 N 0.00 0.87 -3.26 0.44 1.08 -1.74 -3.40 117.51 111.50 3gtj h ILE 755 Ca 0.00 -2.12 -0.54 0.00 -0.39 0.00 0.00 64.86 61.81 3gtj h ILE 755 Cb 0.00 2.35 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 3gtj h ILE 755 CO 0.00 0.47 0.52 -0.63 -0.69 0.00 0.00 178.15 177.82 3gtj s ILE 756 N -3.06 4.44 -0.05 -0.67 1.01 -0.72 -4.85 121.20 117.31 3gtj s ILE 756 Ca 0.03 1.75 -0.27 0.00 0.00 0.00 0.00 60.65 62.17 3gtj s ILE 756 Cb 0.08 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3gtj s ILE 756 CO 0.73 0.10 0.84 -2.16 0.00 0.00 0.00 174.94 174.45 3gtj s PRO 757 N 1.34 4.48 -1.08 2.79 0.05 -1.26 -4.28 135.00 137.03 3gtj s PRO 757 Ca 0.55 1.14 -0.18 0.00 0.05 0.00 0.00 61.00 62.56 3gtj s PRO 757 Cb -0.25 -3.47 -0.01 0.00 0.05 0.00 0.00 34.50 30.83 3gtj s PRO 757 CO 0.26 -0.03 0.79 1.19 0.05 0.00 0.00 177.00 179.26 3gtj n PHE 758 N 3.99 -2.02 0.35 0.56 3.01 -0.25 -4.85 117.46 118.24 3gtj n PHE 758 Ca 0.03 0.54 0.14 0.00 1.01 0.00 0.00 57.45 59.17 3gtj n PHE 758 Cb 0.51 -3.47 0.56 0.00 -0.01 0.00 0.00 39.48 37.06 3gtj n PHE 758 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3gtj h PRO 759 N -1.59 0.00 -0.08 -1.08 0.11 -1.85 -2.11 132.00 125.40 3gtj h PRO 759 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3gtj h PRO 759 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gtj h PRO 759 CO 0.46 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 3gtj n ASP 760 N -2.67 0.49 -0.35 -2.05 5.75 -1.26 -2.48 116.55 113.98 3gtj n ASP 760 Ca 0.02 -1.86 0.04 0.00 -0.01 0.00 0.00 54.79 52.97 3gtj n ASP 760 Cb 0.29 -0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.39 3gtj n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3gtj n HIS 761 N -0.30 0.13 -4.09 2.11 8.25 -0.79 -5.05 115.22 115.49 3gtj n HIS 761 Ca 0.06 -0.22 -0.31 0.00 -0.26 0.00 0.00 57.72 57.00 3gtj n HIS 761 Cb 0.10 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 3gtj n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3gtj s ASN 762 N -0.78 5.48 0.19 0.41 0.02 -1.04 -3.61 114.94 115.62 3gtj s ASN 762 Ca 0.12 0.01 -0.30 0.00 -1.02 0.00 0.00 52.86 51.66 3gtj s ASN 762 Cb 0.07 -1.47 -0.09 0.00 0.02 0.00 0.00 41.25 39.78 3gtj s ASN 762 CO 0.10 0.20 1.37 -1.58 0.02 0.00 0.00 177.10 177.21 3gtj s GLN 763 N -2.19 4.34 0.15 -0.60 0.74 -1.26 -4.94 119.66 115.90 3gtj s GLN 763 Ca 0.27 2.14 -0.17 0.00 0.05 0.00 0.00 55.36 57.65 3gtj s GLN 763 Cb -0.12 -3.18 0.05 0.00 1.10 0.00 0.00 33.01 30.85 3gtj s GLN 763 CO 0.19 -0.35 1.74 1.03 -0.55 0.00 0.00 175.29 177.35 3gtj h SER 764 N 5.65 0.05 -0.09 6.67 0.87 -1.97 0.15 113.55 124.88 3gtj h SER 764 Ca -0.44 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.19 3gtj h SER 764 Cb 1.21 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3gtj h SER 764 CO 0.80 0.06 0.18 -0.65 -0.53 0.00 0.00 176.83 176.69 3gtj h PRO 765 N 0.20 0.00 -0.29 2.24 0.11 -1.99 -1.92 132.00 130.36 3gtj h PRO 765 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 3gtj h PRO 765 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3gtj h PRO 765 CO -0.18 0.00 0.06 0.00 -0.21 0.00 0.00 178.00 177.66 3gtj h ARG 766 N 0.00 0.47 0.00 1.05 2.47 -1.33 -2.68 114.38 114.35 3gtj h ARG 766 Ca 0.04 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3gtj h ARG 766 Cb 0.40 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3gtj h ARG 766 CO -0.00 0.56 -0.03 -0.91 0.56 0.00 0.00 179.97 180.15 3gtj h ASN 767 N 0.29 0.00 -0.19 7.04 4.21 -1.44 -1.47 115.58 124.02 3gtj h ASN 767 Ca 0.09 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.39 3gtj h ASN 767 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3gtj h ASN 767 CO 0.00 0.03 -0.67 0.74 -1.29 0.00 0.00 177.43 176.25 3gtj h THR 768 N 0.00 1.28 0.67 2.81 2.02 -1.48 -3.03 112.91 115.18 3gtj h THR 768 Ca -0.00 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 3gtj h THR 768 Cb 0.08 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3gtj h THR 768 CO 0.00 0.60 -0.49 1.88 0.37 0.00 0.00 175.52 177.88 3gtj h TYR 769 N 0.59 -1.33 -0.89 3.16 -1.99 -1.05 -2.61 116.97 112.86 3gtj h TYR 769 Ca -0.02 -0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.96 3gtj h TYR 769 Cb 1.28 0.49 -0.04 0.00 2.00 0.00 0.00 36.73 40.47 3gtj h TYR 769 CO 0.08 -0.70 0.66 0.37 -0.00 0.00 0.00 178.16 178.57 3gtj h GLN 770 N -1.11 0.00 -0.47 4.88 5.75 -1.47 0.36 115.11 123.05 3gtj h GLN 770 Ca -0.09 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 3gtj h GLN 770 Cb 0.92 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3gtj h GLN 770 CO 0.04 0.00 -0.03 0.77 -2.65 0.00 0.00 178.83 176.95 3gtj h SER 771 N 0.00 0.83 0.52 -0.69 0.02 -1.34 -0.38 113.55 112.52 3gtj h SER 771 Ca 0.42 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3gtj h SER 771 Cb 1.74 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 3gtj h SER 771 CO -0.00 0.96 -0.57 0.00 -1.14 0.00 0.00 176.83 176.07 3gtj h ALA 772 N 0.90 1.03 0.22 3.77 0.00 -0.04 -3.34 119.26 121.81 3gtj h ALA 772 Ca 0.13 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.18 3gtj h ALA 772 Cb 0.55 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gtj h ALA 772 CO 0.03 0.71 -1.61 0.52 0.00 0.00 0.00 179.25 178.90 3gtj h MET 773 N 0.04 0.47 -1.53 0.00 2.07 -1.09 -3.29 114.93 111.59 3gtj h MET 773 Ca -0.00 -0.80 0.45 0.00 -2.07 0.00 0.00 59.70 57.27 3gtj h MET 773 Cb 1.02 0.30 -0.07 0.00 -1.87 0.00 0.00 31.60 30.97 3gtj h MET 773 CO 0.08 1.38 1.09 0.78 1.07 0.00 0.00 176.91 181.31 3gtj h GLY 774 N 0.39 0.15 0.75 8.32 0.00 -1.19 1.54 103.07 113.04 3gtj h GLY 774 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3gtj h GLY 774 CO 0.22 -0.04 0.00 0.28 0.00 0.00 0.00 176.54 177.01 3gtj n LYS 775 N -4.13 1.11 0.00 4.80 5.02 -1.24 -3.60 118.16 120.12 3gtj n LYS 775 Ca 0.35 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3gtj n LYS 775 Cb 1.58 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3gtj n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gtj n GLN 776 N -0.80 1.15 0.00 1.97 6.02 0.52 -4.67 117.38 121.56 3gtj n GLN 776 Ca 0.23 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 3gtj n GLN 776 Cb 0.15 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 30.70 3gtj n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtj n ALA 777 N -0.20 0.00 -3.45 -1.58 0.00 -0.74 -1.24 120.51 113.30 3gtj n ALA 777 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3gtj n ALA 777 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 3gtj n ALA 777 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3gtj s MET 778 N -1.91 0.33 0.00 0.00 1.75 -1.22 -4.66 119.30 113.59 3gtj s MET 778 Ca 0.00 0.54 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 3gtj s MET 778 Cb 0.00 0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.72 3gtj s MET 778 CO 0.00 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.68 3gtj n GLY 779 N 3.57 0.83 3.64 2.11 0.00 -1.26 -4.04 105.19 110.05 3gtj n GLY 779 Ca -0.19 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gtj n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 780 N 1.37 4.79 -0.51 1.61 1.01 -1.24 -3.87 120.40 123.56 3gtj s VAL 780 Ca 0.00 1.57 0.14 0.00 0.00 0.00 0.00 61.98 63.69 3gtj s VAL 780 Cb 0.00 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 3gtj s VAL 780 CO 0.00 -0.14 0.53 2.22 0.00 0.00 0.00 175.10 177.71 3gtj n PHE 781 N 6.13 0.00 -3.65 5.22 1.16 -1.26 -4.03 117.46 121.02 3gtj n PHE 781 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.62 3gtj n PHE 781 Cb 0.47 -0.08 -0.06 0.00 -1.61 0.00 0.00 39.48 38.20 3gtj n PHE 781 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtj s LEU 782 N -2.99 -0.04 0.49 5.98 1.43 -1.26 -4.58 118.68 117.71 3gtj s LEU 782 Ca 0.03 0.06 0.33 0.00 -1.03 0.00 0.00 54.13 53.52 3gtj s LEU 782 Cb 0.10 1.07 1.49 0.00 0.03 0.00 0.00 46.19 48.89 3gtj s LEU 782 CO 0.59 -0.02 1.98 0.74 0.23 0.00 0.00 176.35 179.87 3gtj h THR 783 N 2.76 0.00 -0.67 5.49 2.02 -1.94 -2.77 112.91 117.80 3gtj h THR 783 Ca -0.22 -0.30 -0.28 0.00 0.77 0.00 0.00 66.41 66.38 3gtj h THR 783 Cb 1.20 1.20 -0.17 0.00 -1.74 0.00 0.00 68.15 68.64 3gtj h THR 783 CO 0.19 0.00 0.36 -0.46 0.37 0.00 0.00 175.52 175.98 3gtj n ASN 784 N -2.83 3.90 0.28 4.18 6.94 -1.26 -4.54 115.26 121.92 3gtj n ASN 784 Ca 0.00 -3.08 0.12 0.00 -0.02 0.00 0.00 54.58 51.60 3gtj n ASN 784 Cb 0.22 -0.73 0.80 0.00 -2.36 0.00 0.00 39.78 37.71 3gtj n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3gtj h TYR 785 N 1.45 0.00 0.00 -2.53 -0.00 -1.89 -1.45 116.97 112.55 3gtj h TYR 785 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 3gtj h TYR 785 Cb 2.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.94 3gtj h TYR 785 CO 1.11 0.02 0.00 -1.71 -0.00 0.00 0.00 178.16 177.59 3gtj n ASN 786 N -4.06 0.00 0.00 0.10 5.15 -1.26 -3.56 115.26 111.64 3gtj n ASN 786 Ca -0.03 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 3gtj n ASN 786 Cb 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 3gtj n ASN 786 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3gtj n VAL 787 N -0.99 0.00 -2.24 3.44 0.31 -0.56 -5.05 118.33 113.24 3gtj n VAL 787 Ca 0.18 -0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 64.20 3gtj n VAL 787 Cb 0.08 0.46 0.07 0.00 -0.91 0.00 0.00 33.84 33.53 3gtj n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtj s ARG 788 N -1.31 2.23 -0.41 5.55 0.52 -1.13 -5.05 118.95 119.34 3gtj s ARG 788 Ca 0.00 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 54.99 3gtj s ARG 788 Cb 0.00 -2.20 0.26 0.00 0.52 0.00 0.00 34.95 33.53 3gtj s ARG 788 CO 0.00 -1.19 0.56 -1.33 0.02 0.00 0.00 175.30 173.37 3gtj n MET 789 N -2.87 0.92 -4.46 3.54 2.81 -1.26 -5.04 117.12 110.76 3gtj n MET 789 Ca 0.08 -3.38 -0.32 0.00 -1.81 0.00 0.00 57.70 52.27 3gtj n MET 789 Cb 0.60 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.65 3gtj n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gtj s ASP 790 N -1.44 4.57 -0.70 7.83 3.84 -1.26 -4.99 116.67 124.53 3gtj s ASP 790 Ca 0.36 -0.17 -0.26 0.00 -0.00 0.00 0.00 52.55 52.48 3gtj s ASP 790 Cb 0.19 -1.04 -0.05 0.00 -1.38 0.00 0.00 42.92 40.64 3gtj s ASP 790 CO -0.10 0.28 2.01 -0.89 -0.00 0.00 0.00 175.17 176.47 3gtj s THR 791 N -1.00 3.30 0.00 2.11 2.01 -1.26 -4.17 115.64 116.63 3gtj s THR 791 Ca 0.17 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3gtj s THR 791 Cb -0.11 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3gtj s THR 791 CO 0.08 -0.72 0.00 0.80 -0.69 0.00 0.00 174.62 174.09 3gtj n MET 792 N 9.03 0.00 -3.64 4.92 0.00 -1.26 -4.83 117.12 121.34 3gtj n MET 792 Ca 0.31 0.33 -0.08 0.00 -0.00 0.00 0.00 57.70 58.26 3gtj n MET 792 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.65 3gtj n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gtj s ALA 793 N -0.09 -1.98 -0.07 -5.12 0.00 -1.16 -4.98 121.76 108.36 3gtj s ALA 793 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3gtj s ALA 793 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 3gtj s ALA 793 CO 0.00 -0.32 -0.05 -0.80 0.00 0.00 0.00 175.76 174.59 3gtj s ASN 794 N 0.82 4.78 0.01 0.00 0.02 -1.26 -2.54 114.94 116.76 3gtj s ASN 794 Ca -0.03 0.01 0.01 0.00 -1.02 0.00 0.00 52.86 51.83 3gtj s ASN 794 Cb -0.05 -1.25 -0.01 0.00 0.02 0.00 0.00 41.25 39.97 3gtj s ASN 794 CO -0.10 0.36 -0.04 -0.63 0.02 0.00 0.00 177.10 176.72 3gtj s ILE 795 N -0.80 0.27 -0.25 0.60 1.09 -1.17 -4.38 121.20 116.56 3gtj s ILE 795 Ca 0.12 -0.38 -0.21 0.00 -1.10 0.00 0.00 60.65 59.09 3gtj s ILE 795 Cb -0.11 -0.28 -0.02 0.00 -1.06 0.00 0.00 42.46 40.99 3gtj s ILE 795 CO 0.02 -0.07 0.64 -0.22 -0.10 0.00 0.00 174.94 175.20 3gtj s LEU 796 N -0.48 4.07 0.29 2.97 2.96 -1.25 0.20 118.68 127.44 3gtj s LEU 796 Ca -0.03 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.66 3gtj s LEU 796 Cb -0.04 -2.87 0.72 0.00 0.50 0.00 0.00 46.19 44.50 3gtj s LEU 796 CO -0.00 -0.37 1.70 1.88 -1.32 0.00 0.00 176.35 178.24 3gtj h TYR 797 N 7.83 0.65 -1.91 5.38 -1.99 -1.62 -3.33 116.97 121.98 3gtj h TYR 797 Ca -0.27 0.04 -0.48 0.00 2.00 0.00 0.00 58.73 60.02 3gtj h TYR 797 Cb 1.12 -0.14 -0.33 0.00 2.00 0.00 0.00 36.73 39.38 3gtj h TYR 797 CO 0.75 -0.05 -0.89 0.66 -0.00 0.00 0.00 178.16 178.64 3gtj n TYR 798 N -5.05 -1.52 -2.20 4.88 4.02 -1.26 -5.08 117.16 110.96 3gtj n TYR 798 Ca 0.22 -2.90 -0.36 0.00 -0.01 0.00 0.00 57.90 54.85 3gtj n TYR 798 Cb 0.65 0.46 0.01 0.00 -0.02 0.00 0.00 39.34 40.43 3gtj n TYR 798 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3gtj s PRO 799 N 0.02 3.36 0.01 -0.72 0.02 -1.25 -4.85 135.00 131.58 3gtj s PRO 799 Ca 0.33 1.71 0.01 0.00 0.02 0.00 0.00 61.00 63.07 3gtj s PRO 799 Cb 0.07 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3gtj s PRO 799 CO -0.16 -0.87 -0.04 -0.65 -0.33 0.00 0.00 177.00 174.95 3gtj s GLN 800 N -3.16 0.34 0.05 5.54 -0.21 -0.95 -5.01 119.66 116.27 3gtj s GLN 800 Ca 0.72 -0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.53 3gtj s GLN 800 Cb -0.27 -0.27 -0.07 0.00 1.00 0.00 0.00 33.01 33.40 3gtj s GLN 800 CO 0.30 0.07 1.47 -1.59 -2.12 0.00 0.00 175.29 173.42 3gtj s LYS 801 N -0.40 4.27 0.69 2.91 -2.85 -1.26 -4.53 119.74 118.56 3gtj s LYS 801 Ca -0.01 2.09 -0.17 0.00 -1.00 0.00 0.00 55.97 56.89 3gtj s LYS 801 Cb -0.03 -3.50 -0.04 0.00 -2.06 0.00 0.00 37.83 32.20 3gtj s LYS 801 CO -0.00 -0.59 0.60 -0.35 0.10 0.00 0.00 175.35 175.11 3gtj n PRO 802 N 5.09 0.39 0.05 1.78 -0.04 -1.26 -4.86 135.00 136.14 3gtj n PRO 802 Ca 0.13 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3gtj n PRO 802 Cb 0.42 -1.87 0.36 0.00 -0.04 0.00 0.00 33.50 32.36 3gtj n PRO 802 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gtj n LEU 803 N -0.37 0.57 -3.98 1.53 4.77 -1.26 -4.68 117.00 113.59 3gtj n LEU 803 Ca 0.11 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.18 3gtj n LEU 803 Cb 0.49 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 3gtj n LEU 803 CO 0.50 -0.06 -0.47 -0.83 -1.33 0.00 0.00 177.39 175.20 3gtj s GLY 804 N -3.40 0.99 0.19 -0.72 0.00 -1.26 -0.63 107.32 102.49 3gtj s GLY 804 Ca 0.10 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3gtj s GLY 804 CO 0.64 0.60 -0.02 -0.51 0.00 0.00 0.00 173.10 173.81 3gtj s THR 805 N 1.51 0.90 0.15 0.90 -4.23 0.84 -4.79 115.64 110.92 3gtj s THR 805 Ca 0.03 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3gtj s THR 805 Cb -0.13 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 3gtj s THR 805 CO -0.09 -0.45 0.38 -0.89 -0.54 0.00 0.00 174.62 173.04 3gtj s THR 806 N -3.51 5.16 -0.26 3.99 2.01 -1.26 -0.80 115.64 120.97 3gtj s THR 806 Ca 0.25 0.01 0.26 0.00 0.31 0.00 0.00 61.69 62.51 3gtj s THR 806 Cb 0.05 -3.63 0.28 0.00 0.01 0.00 0.00 72.50 69.21 3gtj s THR 806 CO 0.05 0.01 1.78 0.03 -0.69 0.00 0.00 174.62 175.81 3gtj h ARG 807 N 2.72 0.00 0.00 4.92 2.47 -1.95 -2.45 114.38 120.09 3gtj h ARG 807 Ca -0.46 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 3gtj h ARG 807 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3gtj h ARG 807 CO 0.72 0.00 -1.16 0.00 0.56 0.00 0.00 179.97 180.09 3gtj n ALA 808 N -1.84 2.54 -0.31 0.04 0.00 -1.26 -3.70 120.51 115.98 3gtj n ALA 808 Ca 0.01 -0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.26 3gtj n ALA 808 Cb 0.19 -1.05 0.32 0.00 0.00 0.00 0.00 19.45 18.90 3gtj n ALA 808 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3gtj h MET 809 N 0.00 0.81 -0.89 0.00 2.86 -1.65 -2.92 114.93 113.14 3gtj h MET 809 Ca -0.01 -0.05 0.24 0.00 -2.06 0.00 0.00 59.70 57.83 3gtj h MET 809 Cb 1.02 -0.18 -0.15 0.00 0.06 0.00 0.00 31.60 32.35 3gtj h MET 809 CO 0.00 0.53 0.21 1.49 1.06 0.00 0.00 176.91 180.21 3gtj h GLU 810 N 0.83 0.17 0.00 1.72 4.57 -1.69 -0.19 114.58 119.99 3gtj h GLU 810 Ca 0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3gtj h GLU 810 Cb 0.62 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3gtj h GLU 810 CO -0.24 0.11 -0.36 0.66 -1.18 0.00 0.00 179.01 178.01 3gtj n TYR 811 N -5.26 0.13 0.81 0.92 0.53 -1.11 -3.49 117.16 109.70 3gtj n TYR 811 Ca 0.22 0.04 0.12 0.00 -1.02 0.00 0.00 57.90 57.25 3gtj n TYR 811 Cb 0.70 -0.41 0.12 0.00 -1.03 0.00 0.00 39.34 38.72 3gtj n TYR 811 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3gtj n LEU 812 N -1.63 3.07 -3.91 7.72 4.77 -0.18 -4.98 117.00 121.86 3gtj n LEU 812 Ca 0.06 -1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 54.62 3gtj n LEU 812 Cb 0.36 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3gtj n LEU 812 CO 0.33 0.55 -0.20 0.29 -1.33 0.00 0.00 177.39 177.03 3gtj n LYS 813 N 1.36 -2.24 0.01 3.23 4.76 -0.60 -4.88 118.16 119.80 3gtj n LYS 813 Ca 0.15 0.36 -0.08 0.00 -2.87 0.00 0.00 58.31 55.88 3gtj n LYS 813 Cb 0.59 -4.14 -0.13 0.00 -1.84 0.00 0.00 35.03 29.51 3gtj n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3gtj h PHE 814 N -1.93 0.00 0.00 2.13 3.57 -1.86 -3.25 116.94 115.60 3gtj h PHE 814 Ca -0.65 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.85 3gtj h PHE 814 Cb 1.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.12 3gtj h PHE 814 CO 0.44 0.98 0.00 0.00 -2.23 0.00 0.00 178.31 177.50 3gtj h ARG 815 N 0.00 0.00 0.00 1.11 3.08 -1.90 -1.90 114.38 114.77 3gtj h ARG 815 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3gtj h ARG 815 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 3gtj h ARG 815 CO 0.09 0.00 -1.70 0.39 -1.07 0.00 0.00 179.97 177.68 3gtj n GLU 816 N -2.64 0.61 -3.17 0.04 4.71 -1.25 -4.59 120.64 114.35 3gtj n GLU 816 Ca 0.02 -0.14 -0.19 0.00 -0.01 0.00 0.00 57.16 56.83 3gtj n GLU 816 Cb 0.27 -1.46 -0.03 0.00 -1.01 0.00 0.00 31.44 29.21 3gtj n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gtj n LEU 817 N -2.04 1.12 -4.63 -4.62 4.32 -1.13 -5.08 117.00 104.94 3gtj n LEU 817 Ca -0.02 -5.06 -0.29 0.00 -0.02 0.00 0.00 56.01 50.61 3gtj n LEU 817 Cb 0.47 0.61 0.18 0.00 -1.62 0.00 0.00 43.42 43.07 3gtj n LEU 817 CO 0.41 2.29 0.62 -2.84 -1.22 0.00 0.00 177.39 176.66 3gtj s PRO 818 N -2.50 0.43 -0.04 3.23 0.02 -0.73 -4.70 135.00 130.71 3gtj s PRO 818 Ca 0.41 0.96 0.25 0.00 0.02 0.00 0.00 61.00 62.63 3gtj s PRO 818 Cb 0.34 -1.70 0.44 0.00 0.02 0.00 0.00 34.50 33.60 3gtj s PRO 818 CO -0.09 -2.85 1.17 0.00 -0.33 0.00 0.00 177.00 174.91 3gtj n ALA 819 N -4.32 2.45 -3.82 -1.55 0.00 -1.26 -3.71 120.51 108.31 3gtj n ALA 819 Ca 0.07 -2.44 -0.06 0.00 0.00 0.00 0.00 53.44 51.01 3gtj n ALA 819 Cb 0.54 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 3gtj n ALA 819 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gtj s GLY 820 N -2.26 -0.07 -0.07 0.00 0.00 -1.26 -3.39 107.32 100.28 3gtj s GLY 820 Ca 0.34 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.87 3gtj s GLY 820 CO -0.15 0.10 -0.14 1.20 0.00 0.00 0.00 173.10 174.11 3gtj s GLN 821 N -3.36 1.83 -0.86 2.90 -0.21 -0.91 -2.23 119.66 116.82 3gtj s GLN 821 Ca 0.13 -0.48 -0.25 0.00 0.02 0.00 0.00 55.36 54.78 3gtj s GLN 821 Cb -0.04 -1.50 -0.06 0.00 1.00 0.00 0.00 33.01 32.41 3gtj s GLN 821 CO 0.06 0.07 2.02 -0.80 -2.12 0.00 0.00 175.29 174.51 3gtj s ASN 822 N 0.55 4.94 0.26 5.90 0.01 -1.26 -2.77 114.94 122.57 3gtj s ASN 822 Ca -0.14 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.43 3gtj s ASN 822 Cb -0.15 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.88 3gtj s ASN 822 CO 0.04 -2.90 0.60 0.00 -1.51 0.00 0.00 177.10 173.33 3gtj s ALA 823 N 10.79 3.50 -0.07 0.60 0.00 -1.25 -4.85 121.76 130.48 3gtj s ALA 823 Ca 0.74 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 3gtj s ALA 823 Cb -0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 3gtj s ALA 823 CO 0.02 0.45 0.92 0.42 0.00 0.00 0.00 175.76 177.57 3gtj s ILE 824 N -1.88 4.87 -0.03 0.00 -1.09 -1.26 -1.87 121.20 119.94 3gtj s ILE 824 Ca 0.49 1.90 0.05 0.00 -2.23 0.00 0.00 60.65 60.86 3gtj s ILE 824 Cb -0.11 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 3gtj s ILE 824 CO 0.21 0.11 -0.19 0.54 -1.23 0.00 0.00 174.94 174.37 3gtj s VAL 825 N 1.46 1.56 -0.07 2.92 0.11 0.92 -1.50 120.40 125.80 3gtj s VAL 825 Ca 0.47 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3gtj s VAL 825 Cb -0.19 -1.32 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 3gtj s VAL 825 CO 0.21 0.44 -0.16 0.00 -3.33 0.00 0.00 175.10 172.27 3gtj s ALA 826 N -0.20 2.58 -0.80 1.54 0.00 0.77 -1.12 121.76 124.53 3gtj s ALA 826 Ca 0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 3gtj s ALA 826 Cb -0.10 -0.98 0.21 0.00 0.00 0.00 0.00 23.12 22.24 3gtj s ALA 826 CO 0.01 0.46 0.71 0.42 0.00 0.00 0.00 175.76 177.36 3gtj s ILE 827 N -0.37 5.17 0.27 0.00 1.01 -0.88 -0.89 121.20 125.52 3gtj s ILE 827 Ca 0.04 -2.67 -0.06 0.00 0.00 0.00 0.00 60.65 57.96 3gtj s ILE 827 Cb -0.12 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3gtj s ILE 827 CO 0.02 -1.00 0.39 0.00 0.00 0.00 0.00 174.94 174.34 3gtj s ALA 828 N -0.01 0.52 -0.10 9.38 0.00 -1.00 -4.33 121.76 126.22 3gtj s ALA 828 Ca 0.19 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 3gtj s ALA 828 Cb -0.12 1.19 -0.08 0.00 0.00 0.00 0.00 23.12 24.11 3gtj s ALA 828 CO -0.08 -0.76 0.29 0.00 0.00 0.00 0.00 175.76 175.21 3gtj n TYR 830 N -4.78 -1.04 -2.02 0.00 9.36 -1.26 -4.39 117.16 113.03 3gtj n TYR 830 Ca -0.03 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.62 3gtj n TYR 830 Cb 0.15 -1.21 0.00 0.00 -0.63 0.00 0.00 39.34 37.65 3gtj n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gtj n SER 831 N 0.72 0.00 -0.26 2.98 3.41 -1.26 -4.58 113.62 114.63 3gtj n SER 831 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3gtj n SER 831 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3gtj n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtj n GLY 832 N 0.00 0.82 0.09 5.00 0.00 -1.26 -4.97 105.19 104.87 3gtj n GLY 832 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3gtj n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gtj h TYR 833 N 0.00 0.00 0.00 1.61 -1.99 -1.86 -3.28 116.97 111.45 3gtj h TYR 833 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gtj h TYR 833 Cb 1.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.75 3gtj h TYR 833 CO -0.14 0.84 0.00 0.27 -0.00 0.00 0.00 178.16 179.14 3gtj n ASN 834 N -3.46 0.22 -4.84 3.88 6.94 -1.26 -4.56 115.26 112.19 3gtj n ASN 834 Ca -0.00 -1.55 -0.35 0.00 -0.02 0.00 0.00 54.58 52.65 3gtj n ASN 834 Cb 0.83 -0.11 -0.06 0.00 -2.36 0.00 0.00 39.78 38.08 3gtj n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3gtj s GLN 835 N -1.72 4.07 -0.77 -3.83 0.74 -1.24 -3.83 119.66 113.08 3gtj s GLN 835 Ca 0.00 0.63 -0.04 0.00 0.05 0.00 0.00 55.36 56.00 3gtj s GLN 835 Cb 0.00 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 3gtj s GLN 835 CO 0.00 0.42 0.68 0.39 -0.55 0.00 0.00 175.29 176.23 3gtj n GLU 836 N 0.66 -1.61 -3.78 1.67 -0.58 -1.26 -3.84 120.64 111.90 3gtj n GLU 836 Ca -0.03 0.79 -0.27 0.00 -0.42 0.00 0.00 57.16 57.22 3gtj n GLU 836 Cb 0.52 -4.85 0.05 0.00 -0.57 0.00 0.00 31.44 26.58 3gtj n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3gtj n ASP 837 N -2.61 -5.37 -4.35 1.62 8.00 -1.26 -5.00 116.55 107.57 3gtj n ASP 837 Ca -0.04 -0.68 -0.25 0.00 0.71 0.00 0.00 54.79 54.52 3gtj n ASP 837 Cb 0.58 -4.37 -0.09 0.00 -0.02 0.00 0.00 41.12 37.22 3gtj n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gtj s SER 838 N -3.34 2.85 0.16 -2.24 1.04 -1.25 -3.02 113.70 107.89 3gtj s SER 838 Ca 0.62 -1.54 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 3gtj s SER 838 Cb -0.29 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3gtj s SER 838 CO 0.79 -0.77 0.32 0.00 0.98 0.00 0.00 173.24 174.56 3gtj s MET 839 N -3.80 1.15 -0.11 4.02 0.23 0.10 -4.23 119.30 116.65 3gtj s MET 839 Ca 0.27 -1.05 -0.05 0.00 -1.03 0.00 0.00 55.69 53.83 3gtj s MET 839 Cb 0.05 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 3gtj s MET 839 CO 0.14 -0.43 0.08 0.42 -2.03 0.00 0.00 175.02 173.19 3gtj s ILE 840 N -3.92 4.95 -0.04 3.16 1.01 -0.74 0.13 121.20 125.74 3gtj s ILE 840 Ca 0.13 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.83 3gtj s ILE 840 Cb 0.03 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3gtj s ILE 840 CO -0.03 0.60 -0.21 -0.32 0.00 0.00 0.00 174.94 174.98 3gtj s MET 841 N -0.84 2.09 -0.87 2.79 1.75 -0.32 -1.76 119.30 122.15 3gtj s MET 841 Ca 0.13 -0.76 -0.25 0.00 -1.25 0.00 0.00 55.69 53.57 3gtj s MET 841 Cb -0.12 -1.83 -0.04 0.00 2.84 0.00 0.00 34.83 35.68 3gtj s MET 841 CO 0.03 0.34 1.92 1.21 -0.65 0.00 0.00 175.02 177.86 3gtj s ASN 842 N -0.14 5.21 0.29 1.11 2.47 0.00 -2.13 114.94 121.75 3gtj s ASN 842 Ca -0.02 -0.58 0.03 0.00 0.42 0.00 0.00 52.86 52.72 3gtj s ASN 842 Cb -0.12 -2.56 0.71 0.00 -1.45 0.00 0.00 41.25 37.84 3gtj s ASN 842 CO 0.02 -2.66 1.67 1.56 -3.72 0.00 0.00 177.10 173.98 3gtj h GLN 843 N 11.69 0.29 -0.69 0.43 1.08 -1.22 1.17 115.11 127.86 3gtj h GLN 843 Ca 0.06 -0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.39 3gtj h GLN 843 Cb 1.02 -0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 28.27 3gtj h GLN 843 CO 1.22 0.19 -0.00 1.03 -0.95 0.00 0.00 178.83 180.32 3gtj h SER 844 N 0.30 -0.32 0.99 1.46 0.87 -1.90 -0.98 113.55 113.97 3gtj h SER 844 Ca 0.55 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 61.20 3gtj h SER 844 Cb 1.08 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 3gtj h SER 844 CO -0.58 -0.15 -0.43 0.77 -0.53 0.00 0.00 176.83 175.91 3gtj h SER 845 N 0.11 0.00 0.54 6.23 4.64 0.10 -2.70 113.55 122.47 3gtj h SER 845 Ca 0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 3gtj h SER 845 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3gtj h SER 845 CO -0.60 0.43 -0.41 0.40 -0.87 0.00 0.00 176.83 175.77 3gtj h ILE 846 N 0.00 1.17 0.00 0.95 2.04 -0.67 -2.10 117.51 118.90 3gtj h ILE 846 Ca -0.00 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3gtj h ILE 846 Cb 1.04 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3gtj h ILE 846 CO 0.06 0.41 -0.00 0.44 0.00 0.00 0.00 178.15 179.05 3gtj h ASP 847 N 0.00 0.00 0.45 1.72 3.32 -1.12 -2.13 116.42 118.66 3gtj h ASP 847 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtj h ASP 847 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3gtj h ASP 847 CO 0.05 0.00 -0.12 0.54 -1.72 0.00 0.00 179.24 178.00 3gtj n ARG 848 N -2.48 0.55 0.00 3.56 1.74 -0.82 -4.93 116.66 114.27 3gtj n ARG 848 Ca 0.05 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3gtj n ARG 848 Cb 0.46 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3gtj n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gtj n GLY 849 N 1.32 1.12 3.67 -0.13 0.00 -0.80 -5.07 105.19 105.29 3gtj n GLY 849 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 3gtj n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gtj n LEU 850 N 0.00 3.10 -2.41 0.99 7.94 -1.01 -2.31 117.00 123.29 3gtj n LEU 850 Ca 0.00 1.03 -0.16 0.00 -1.11 0.00 0.00 56.01 55.78 3gtj n LEU 850 Cb 0.00 -1.36 -0.01 0.00 0.53 0.00 0.00 43.42 42.58 3gtj n LEU 850 CO 0.00 -0.25 -0.20 0.49 -1.11 0.00 0.00 177.39 176.33 3gtj n PHE 851 N 5.04 -1.24 -2.00 1.96 0.99 -1.26 -4.72 117.46 116.23 3gtj n PHE 851 Ca 0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.35 3gtj n PHE 851 Cb 0.27 -3.21 0.00 0.00 -1.00 0.00 0.00 39.48 35.55 3gtj n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3gtj s ARG 852 N -5.00 3.64 0.13 -1.08 0.52 -0.98 -4.27 118.95 111.90 3gtj s ARG 852 Ca 0.00 0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 55.76 3gtj s ARG 852 Cb 0.00 -2.11 0.05 0.00 0.52 0.00 0.00 34.95 33.41 3gtj s ARG 852 CO 0.00 -0.50 0.47 -1.54 0.02 0.00 0.00 175.30 173.74 3gtj s SER 853 N -4.03 -0.35 0.39 0.23 1.04 -1.23 -1.55 113.70 108.20 3gtj s SER 853 Ca 0.55 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.80 3gtj s SER 853 Cb -0.11 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3gtj s SER 853 CO 0.50 -0.88 0.58 -0.76 0.98 0.00 0.00 173.24 173.67 3gtj s LEU 854 N -2.74 3.84 -0.23 2.42 1.43 0.13 -2.63 118.68 120.90 3gtj s LEU 854 Ca 0.02 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3gtj s LEU 854 Cb 0.01 -3.09 0.12 0.00 0.03 0.00 0.00 46.19 43.26 3gtj s LEU 854 CO -0.12 -0.51 0.32 0.12 0.23 0.00 0.00 176.35 176.39 3gtj s PHE 855 N -2.38 -0.61 0.25 0.29 5.36 -1.00 -3.06 117.98 116.82 3gtj s PHE 855 Ca 0.45 0.57 0.06 0.00 -0.96 0.00 0.00 56.93 57.04 3gtj s PHE 855 Cb -0.10 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 3gtj s PHE 855 CO 0.35 -0.68 0.31 -0.06 -1.46 0.00 0.00 175.22 173.68 3gtj s PHE 856 N 2.46 3.33 -0.30 10.12 0.40 -1.05 -1.41 117.98 131.53 3gtj s PHE 856 Ca 0.10 -0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.35 3gtj s PHE 856 Cb -0.15 -1.53 0.19 0.00 0.51 0.00 0.00 43.02 42.03 3gtj s PHE 856 CO -0.15 0.45 0.72 0.50 0.70 0.00 0.00 175.22 177.44 3gtj s ARG 857 N -3.94 0.46 0.38 0.44 3.52 -0.90 -2.97 118.95 115.94 3gtj s ARG 857 Ca 0.34 0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 56.47 3gtj s ARG 857 Cb -0.09 0.40 -0.10 0.00 -1.56 0.00 0.00 34.95 33.60 3gtj s ARG 857 CO 0.28 -0.58 0.91 -1.12 -0.81 0.00 0.00 175.30 173.98 3gtj s SER 858 N 2.88 7.03 0.39 -2.12 0.01 -1.26 -2.11 113.70 118.52 3gtj s SER 858 Ca 0.15 1.67 0.08 0.00 1.31 0.00 0.00 55.95 59.15 3gtj s SER 858 Cb -0.12 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3gtj s SER 858 CO -0.20 -0.24 0.10 -0.31 0.41 0.00 0.00 173.24 172.99 3gtj s TYR 859 N -1.97 2.58 -0.02 2.43 1.51 0.45 -4.74 117.35 117.58 3gtj s TYR 859 Ca 0.57 -0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 55.94 3gtj s TYR 859 Cb -0.12 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3gtj s TYR 859 CO 0.17 0.33 0.32 1.41 -1.11 0.00 0.00 175.55 176.67 3gtj s MET 860 N -3.81 0.66 -0.22 -0.62 1.75 -1.26 -2.31 119.30 113.49 3gtj s MET 860 Ca 0.38 -0.14 -0.27 0.00 -1.25 0.00 0.00 55.69 54.40 3gtj s MET 860 Cb 0.03 0.30 0.12 0.00 2.84 0.00 0.00 34.83 38.12 3gtj s MET 860 CO 0.21 -0.18 0.98 0.34 -0.65 0.00 0.00 175.02 175.72 3gtj s ASP 861 N -1.24 -0.45 0.00 1.11 -1.08 -1.07 -5.02 116.67 108.92 3gtj s ASP 861 Ca -0.13 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 52.62 3gtj s ASP 861 Cb -0.05 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 3gtj s ASP 861 CO 0.04 -0.25 0.00 0.00 0.52 0.00 0.00 175.17 175.48 3gtj n GLN 862 N 1.62 2.44 -3.32 4.34 6.02 -1.26 -1.12 117.38 126.10 3gtj n GLN 862 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.89 3gtj n GLN 862 Cb 0.57 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.80 3gtj n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gtj s GLU 863 N -1.01 0.41 0.00 -1.09 2.02 -1.18 -4.91 118.70 112.93 3gtj s GLU 863 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 54.97 55.87 3gtj s GLU 863 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.74 3gtj s GLU 863 CO 0.00 -0.30 0.00 1.17 0.02 0.00 0.00 175.26 176.15 3gtj n LYS 864 N 5.32 0.00 -2.98 1.61 0.00 -1.26 -4.09 118.16 116.75 3gtj n LYS 864 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.93 3gtj n LYS 864 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 3gtj n LYS 864 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3gtj s LYS 865 N 0.00 3.91 -0.51 1.64 2.20 -0.66 -4.37 119.74 121.94 3gtj s LYS 865 Ca 0.00 0.60 0.07 0.00 -0.36 0.00 0.00 55.97 56.28 3gtj s LYS 865 Cb 0.00 -2.40 0.19 0.00 -1.51 0.00 0.00 37.83 34.11 3gtj s LYS 865 CO 0.00 0.05 0.71 0.66 -0.36 0.00 0.00 175.35 176.41 3gtj n TYR 866 N -0.81 -3.55 -0.54 4.03 4.01 -1.23 -4.86 117.16 114.20 3gtj n TYR 866 Ca 0.03 -1.57 0.00 0.00 -0.16 0.00 0.00 57.90 56.20 3gtj n TYR 866 Cb 0.54 1.38 0.00 0.00 -0.31 0.00 0.00 39.34 40.94 3gtj n TYR 866 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gtj n GLY 867 N 2.84 -0.16 2.70 2.72 0.00 -1.26 -4.74 105.19 107.28 3gtj n GLY 867 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3gtj n GLY 867 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gtj n MET 868 N -0.03 1.27 0.00 1.61 1.56 -1.26 -4.90 117.12 115.38 3gtj n MET 868 Ca 0.00 -2.18 0.00 0.00 -0.27 0.00 0.00 57.70 55.25 3gtj n MET 868 Cb 0.16 -0.36 0.00 0.00 2.15 0.00 0.00 33.22 35.17 3gtj n MET 868 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3gtj n SER 869 N -0.68 0.00 -4.24 6.12 7.64 -1.26 -5.12 113.62 116.08 3gtj n SER 869 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 3gtj n SER 869 Cb 0.84 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.91 3gtj n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gtj s ILE 870 N 0.00 3.24 -0.33 0.44 1.01 -1.26 -4.93 121.20 119.37 3gtj s ILE 870 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3gtj s ILE 870 Cb 0.00 -2.69 0.14 0.00 0.01 0.00 0.00 42.46 39.92 3gtj s ILE 870 CO 0.00 0.11 0.27 -0.89 0.00 0.00 0.00 174.94 174.43 3gtj s THR 871 N 1.37 -0.18 -1.13 2.92 2.01 -1.26 -1.66 115.64 117.70 3gtj s THR 871 Ca 0.00 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 60.81 3gtj s THR 871 Cb -0.17 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 3gtj s THR 871 CO -0.02 -0.69 2.13 -0.62 -0.69 0.00 0.00 174.62 174.73 3gtj n GLU 872 N 4.62 2.26 -1.61 4.92 1.02 -1.26 -4.79 120.64 125.80 3gtj n GLU 872 Ca 0.05 -2.18 -0.44 0.00 -0.02 0.00 0.00 57.16 54.57 3gtj n GLU 872 Cb 0.43 -3.05 -0.02 0.00 -0.02 0.00 0.00 31.44 28.78 3gtj n GLU 872 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtj n THR 873 N 5.35 1.86 -2.04 2.62 -1.04 -1.23 -4.16 114.28 115.63 3gtj n THR 873 Ca 0.52 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 3gtj n THR 873 Cb 0.37 -1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 3gtj n THR 873 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3gtj s PHE 874 N -0.95 3.07 0.09 -1.42 2.99 -1.26 -2.17 117.98 118.33 3gtj s PHE 874 Ca 0.60 0.74 -0.07 0.00 0.00 0.00 0.00 56.93 58.19 3gtj s PHE 874 Cb -0.69 -3.82 0.03 0.00 0.00 0.00 0.00 43.02 38.54 3gtj s PHE 874 CO 0.59 -3.00 0.34 -0.85 -0.00 0.00 0.00 175.22 172.30 3gtj n GLU 875 N 4.18 0.29 -3.62 0.44 0.28 -1.07 -4.50 120.64 116.64 3gtj n GLU 875 Ca 0.13 -0.62 -0.40 0.00 -0.16 0.00 0.00 57.16 56.11 3gtj n GLU 875 Cb 0.40 0.81 -0.10 0.00 1.43 0.00 0.00 31.44 33.98 3gtj n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3gtj s LYS 876 N -2.02 2.57 0.53 3.44 2.20 -1.26 -4.18 119.74 121.01 3gtj s LYS 876 Ca 0.07 -1.48 -0.22 0.00 -0.36 0.00 0.00 55.97 53.99 3gtj s LYS 876 Cb -0.01 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3gtj s LYS 876 CO 0.03 -0.96 1.33 -2.14 -0.36 0.00 0.00 175.35 173.25 3gtj s PRO 877 N 1.41 3.27 0.00 4.03 0.02 -1.26 -5.03 135.00 137.44 3gtj s PRO 877 Ca 0.03 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3gtj s PRO 877 Cb -0.23 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.99 3gtj s PRO 877 CO 0.02 -1.06 0.00 0.00 -0.33 0.00 0.00 177.00 175.63 3gtj n GLN 878 N -0.89 0.00 0.00 5.54 0.00 -1.26 -5.08 117.38 115.69 3gtj n GLN 878 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 3gtj n GLN 878 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.69 3gtj n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3gtj n ARG 879 N -0.32 0.00 -2.23 2.61 5.12 -1.26 -4.99 116.66 115.59 3gtj n ARG 879 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3gtj n ARG 879 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3gtj n ARG 879 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3gtj n THR 880 N -0.25 0.00 0.00 0.55 -2.24 -1.26 -3.64 114.28 107.43 3gtj n THR 880 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gtj n THR 880 Cb 0.00 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 3gtj n THR 880 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gtj n ASN 881 N 0.88 0.00 -0.03 3.42 4.13 -1.26 -2.16 115.26 120.23 3gtj n ASN 881 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 3gtj n ASN 881 Cb 0.47 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 38.95 3gtj n ASN 881 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3gtj h THR 882 N 0.00 1.22 -4.01 3.41 2.02 -1.81 -3.47 112.91 110.28 3gtj h THR 882 Ca 0.00 -0.90 -0.19 0.00 0.77 0.00 0.00 66.41 66.09 3gtj h THR 882 Cb 0.00 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3gtj h THR 882 CO 0.00 0.31 -0.24 0.00 0.37 0.00 0.00 175.52 175.96 3gtj n LEU 883 N -4.24 -0.88 -3.66 2.58 -0.00 -1.24 -4.88 117.00 104.69 3gtj n LEU 883 Ca 0.02 0.26 -0.41 0.00 -0.00 0.00 0.00 56.01 55.88 3gtj n LEU 883 Cb 0.28 -1.87 -0.00 0.00 -0.00 0.00 0.00 43.42 41.82 3gtj n LEU 883 CO 0.40 -0.11 2.45 -1.14 -0.00 0.00 0.00 177.39 178.98 3gtj n ARG 884 N -2.70 3.70 -0.05 1.47 3.00 -1.26 -4.95 116.66 115.87 3gtj n ARG 884 Ca -0.11 -3.10 0.00 0.00 -0.00 0.00 0.00 57.85 54.63 3gtj n ARG 884 Cb 0.58 -2.92 0.00 0.00 0.00 0.00 0.00 32.46 30.12 3gtj n ARG 884 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3gtj n MET 885 N 3.80 0.91 -0.22 -0.14 2.81 -1.26 -3.79 117.12 119.22 3gtj n MET 885 Ca 0.54 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3gtj n MET 885 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 3gtj n MET 885 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3gtj n LYS 886 N -0.34 2.67 -3.73 0.03 4.01 -1.26 -4.97 118.16 114.57 3gtj n LYS 886 Ca 0.00 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 3gtj n LYS 886 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 3gtj n LYS 886 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3gtj s HIS 887 N 1.70 1.93 0.00 2.13 5.65 -1.26 -5.09 115.29 120.34 3gtj s HIS 887 Ca 0.00 -2.18 0.00 0.00 0.25 0.00 0.00 55.06 53.13 3gtj s HIS 887 Cb 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 32.58 29.55 3gtj s HIS 887 CO 0.00 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 173.67 3gtj n GLY 888 N 4.07 0.33 3.70 1.59 0.00 -1.26 -4.83 105.19 108.79 3gtj n GLY 888 Ca 0.05 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3gtj n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtj s THR 889 N -2.00 4.52 -0.73 2.61 2.01 -1.26 -4.89 115.64 115.89 3gtj s THR 889 Ca 0.00 1.81 0.16 0.00 0.31 0.00 0.00 61.69 63.97 3gtj s THR 889 Cb 0.00 -4.16 -0.18 0.00 0.01 0.00 0.00 72.50 68.17 3gtj s THR 889 CO 0.00 0.09 0.68 -1.22 -0.69 0.00 0.00 174.62 173.48 3gtj n TYR 890 N 4.35 0.00 0.24 4.92 4.02 -1.26 -2.98 117.16 126.45 3gtj n TYR 890 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.99 3gtj n TYR 890 Cb 0.48 -0.02 0.12 0.00 -0.02 0.00 0.00 39.34 39.91 3gtj n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3gtj n ASP 891 N -1.42 0.00 -1.21 7.72 8.00 -1.26 -0.72 116.55 127.66 3gtj n ASP 891 Ca 0.03 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.69 3gtj n ASP 891 Cb 0.27 -0.15 0.24 0.00 -0.02 0.00 0.00 41.12 41.46 3gtj n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtj n LYS 892 N -1.15 2.57 -3.91 -1.24 5.02 -1.26 -4.91 118.16 113.28 3gtj n LYS 892 Ca 0.03 -2.40 -0.35 0.00 -2.02 0.00 0.00 58.31 53.57 3gtj n LYS 892 Cb 0.03 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3gtj n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtj s LEU 893 N -1.36 3.80 1.10 -0.35 1.43 0.11 -4.39 118.68 119.03 3gtj s LEU 893 Ca 0.42 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 3gtj s LEU 893 Cb 0.24 -1.98 0.24 0.00 0.03 0.00 0.00 46.19 44.72 3gtj s LEU 893 CO 0.32 0.12 1.17 -1.81 0.23 0.00 0.00 176.35 176.39 3gtj s ASP 894 N 0.69 1.85 0.59 2.29 1.11 -0.65 -4.90 116.67 117.66 3gtj s ASP 894 Ca 0.04 0.57 0.36 0.00 0.18 0.00 0.00 52.55 53.70 3gtj s ASP 894 Cb -0.13 -0.80 1.86 0.00 1.07 0.00 0.00 42.92 44.92 3gtj s ASP 894 CO 0.02 -3.55 2.19 0.44 1.18 0.00 0.00 175.17 175.45 3gtj h ASP 895 N -2.19 0.00 0.42 0.27 3.45 -1.98 -1.69 116.42 114.70 3gtj h ASP 895 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 3gtj h ASP 895 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3gtj h ASP 895 CO 0.39 0.04 -0.00 -0.90 -1.57 0.00 0.00 179.24 177.19 3gtj n ASP 896 N -3.34 0.01 0.00 6.45 5.68 -1.26 -4.28 116.55 119.80 3gtj n ASP 896 Ca -0.02 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 3gtj n ASP 896 Cb 0.17 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3gtj n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gtj n GLY 897 N 1.21 0.71 2.77 6.12 0.00 -0.64 -4.04 105.19 111.32 3gtj n GLY 897 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3gtj n GLY 897 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 898 N 0.00 0.00 -4.97 0.99 4.77 -1.26 -1.87 117.00 114.65 3gtj n LEU 898 Ca 0.00 -2.23 -0.21 0.00 -0.03 0.00 0.00 56.01 53.54 3gtj n LEU 898 Cb 0.00 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3gtj n LEU 898 CO 0.00 -0.43 0.02 -0.63 -1.33 0.00 0.00 177.39 175.02 3gtj s ILE 899 N -2.16 4.94 -0.03 -0.08 1.09 -1.24 -1.63 121.20 122.10 3gtj s ILE 899 Ca 0.13 -0.91 -0.15 0.00 -1.10 0.00 0.00 60.65 58.62 3gtj s ILE 899 Cb -0.01 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 3gtj s ILE 899 CO 0.08 -0.32 0.41 0.00 -0.10 0.00 0.00 174.94 175.01 3gtj s ALA 900 N -2.08 3.66 -0.41 9.38 0.00 -1.26 -4.96 121.76 126.09 3gtj s ALA 900 Ca 0.38 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 3gtj s ALA 900 Cb -0.09 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 3gtj s ALA 900 CO 0.31 0.39 2.34 -2.14 0.00 0.00 0.00 175.76 176.66 3gtj s PRO 901 N -0.75 2.41 0.00 0.00 0.02 -1.26 -2.77 135.00 132.65 3gtj s PRO 901 Ca 0.23 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3gtj s PRO 901 Cb -0.16 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 29.84 3gtj s PRO 901 CO 0.12 -2.93 0.00 0.41 -0.33 0.00 0.00 177.00 174.28 3gtj n GLY 902 N 5.93 2.38 3.75 0.52 0.00 -1.02 -4.97 105.19 111.79 3gtj n GLY 902 Ca 0.34 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3gtj n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 903 N 0.00 2.14 0.11 1.61 1.01 -1.11 -4.62 120.40 119.53 3gtj s VAL 903 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 3gtj s VAL 903 Cb 0.00 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3gtj s VAL 903 CO 0.00 0.00 0.79 -0.13 0.00 0.00 0.00 175.10 175.77 3gtj s ARG 904 N -2.79 4.55 0.14 2.72 0.52 -1.26 -2.52 118.95 120.32 3gtj s ARG 904 Ca 0.69 1.15 0.11 0.00 -0.52 0.00 0.00 55.73 57.16 3gtj s ARG 904 Cb -0.40 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 3gtj s ARG 904 CO 0.49 0.40 -0.26 0.08 0.02 0.00 0.00 175.30 176.03 3gtj s VAL 905 N -0.53 2.24 0.09 3.52 1.01 0.64 -4.98 120.40 122.40 3gtj s VAL 905 Ca 0.38 -1.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.30 3gtj s VAL 905 Cb -0.22 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.23 3gtj s VAL 905 CO 0.25 0.03 0.66 -0.94 0.00 0.00 0.00 175.10 175.10 3gtj s SER 906 N -2.20 -0.56 0.68 3.32 1.04 -1.26 0.15 113.70 114.87 3gtj s SER 906 Ca 0.15 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3gtj s SER 906 Cb -0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3gtj s SER 906 CO 0.07 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3gtj n GLY 907 N -0.08 0.90 2.34 7.32 0.00 -1.26 -3.62 105.19 110.79 3gtj n GLY 907 Ca -0.16 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 3gtj n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtj n GLU 908 N 0.00 2.37 -2.89 1.61 1.02 -1.26 -4.48 120.64 117.01 3gtj n GLU 908 Ca 0.00 -1.43 -0.30 0.00 -0.02 0.00 0.00 57.16 55.41 3gtj n GLU 908 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 3gtj n GLU 908 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gtj s ASP 909 N 2.60 6.53 0.42 1.62 1.11 -1.24 -4.19 116.67 123.52 3gtj s ASP 909 Ca 0.53 1.12 -0.04 0.00 0.18 0.00 0.00 52.55 54.35 3gtj s ASP 909 Cb 0.18 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 3gtj s ASP 909 CO -0.03 -0.38 0.70 -0.69 1.18 0.00 0.00 175.17 175.95 3gtj s VAL 910 N -2.34 4.96 0.00 -1.27 1.01 -1.16 -0.03 120.40 121.58 3gtj s VAL 910 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3gtj s VAL 910 Cb -0.10 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3gtj s VAL 910 CO 0.30 -0.70 0.00 -0.38 0.00 0.00 0.00 175.10 174.32 3gtj n ILE 911 N -1.95 0.00 -3.84 2.22 5.41 -1.25 -4.82 119.36 115.13 3gtj n ILE 911 Ca -0.01 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.52 3gtj n ILE 911 Cb 0.55 -0.03 -0.17 0.00 -0.71 0.00 0.00 39.64 39.28 3gtj n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gtj s ILE 912 N -1.05 0.41 0.14 1.39 1.01 -1.26 -3.61 121.20 118.22 3gtj s ILE 912 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.78 3gtj s ILE 912 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3gtj s ILE 912 CO 0.00 0.25 0.03 -0.83 0.00 0.00 0.00 174.94 174.39 3gtj s GLY 913 N 1.75 1.81 -0.24 6.18 0.00 -0.78 -1.37 107.32 114.66 3gtj s GLY 913 Ca 0.02 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.25 3gtj s GLY 913 CO -0.04 -1.22 0.98 -1.59 0.00 0.00 0.00 173.10 171.22 3gtj s LYS 914 N -2.70 0.59 -0.05 2.90 -2.85 -1.26 -2.59 119.74 113.79 3gtj s LYS 914 Ca 0.27 0.53 0.03 0.00 -1.00 0.00 0.00 55.97 55.80 3gtj s LYS 914 Cb -0.10 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 3gtj s LYS 914 CO 0.19 -0.10 -0.12 0.95 0.10 0.00 0.00 175.35 176.37 3gtj s THR 915 N -0.11 3.23 -0.37 3.79 -4.23 -0.92 -1.68 115.64 115.36 3gtj s THR 915 Ca 0.01 -0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.70 3gtj s THR 915 Cb -0.04 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3gtj s THR 915 CO -0.03 0.57 0.24 0.28 -0.54 0.00 0.00 174.62 175.14 3gtj s THR 916 N -0.78 5.02 -0.15 3.99 -1.32 0.12 -3.54 115.64 118.99 3gtj s THR 916 Ca 0.12 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.77 3gtj s THR 916 Cb -0.11 -3.70 -0.07 0.00 -1.51 0.00 0.00 72.50 67.11 3gtj s THR 916 CO 0.01 -0.15 2.12 -2.65 -2.21 0.00 0.00 174.62 171.75 3gtj n PRO 917 N 5.08 2.15 -4.80 7.08 -0.02 -1.26 -1.41 135.00 141.82 3gtj n PRO 917 Ca -0.12 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.77 3gtj n PRO 917 Cb 0.48 -3.05 -0.15 0.00 -0.02 0.00 0.00 33.50 30.76 3gtj n PRO 917 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtj s ILE 918 N 6.79 1.74 0.00 4.25 -1.09 -1.26 -4.91 121.20 126.72 3gtj s ILE 918 Ca 0.98 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 3gtj s ILE 918 Cb -0.44 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 3gtj s ILE 918 CO 0.40 0.31 0.31 -1.20 -1.23 0.00 0.00 174.94 173.53 3gtj n SER 919 N 2.04 0.00 -0.08 3.58 7.64 -1.26 -4.67 113.62 120.88 3gtj n SER 919 Ca -0.17 -0.95 -0.09 0.00 1.01 0.00 0.00 58.87 58.67 3gtj n SER 919 Cb 0.53 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 3gtj n SER 919 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3gtj h SER 933 N 4.88 0.00 -4.95 6.43 0.87 -1.82 -3.55 113.55 115.40 3gtj h SER 933 Ca 0.00 -0.16 -0.19 0.00 -1.23 0.00 0.00 61.79 60.21 3gtj h SER 933 Cb 0.00 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 61.75 3gtj h SER 933 CO 0.31 0.93 -0.71 -0.54 -0.53 0.00 0.00 176.83 176.29 3gtj s LYS 934 N -2.21 0.38 0.13 2.24 1.02 -0.92 -4.41 119.74 115.97 3gtj s LYS 934 Ca -0.17 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.21 3gtj s LYS 934 Cb 0.03 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 3gtj s LYS 934 CO 0.31 -0.03 -0.07 1.03 -0.92 0.00 0.00 175.35 175.66 3gtj s ARG 935 N -1.66 2.21 0.22 1.68 0.52 -0.50 -4.34 118.95 117.07 3gtj s ARG 935 Ca -0.13 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 3gtj s ARG 935 Cb -0.09 -2.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.99 3gtj s ARG 935 CO -0.01 0.48 1.05 0.34 0.02 0.00 0.00 175.30 177.18 3gtj s ASP 936 N -2.50 7.38 -0.08 0.23 3.68 -1.25 0.13 116.67 124.26 3gtj s ASP 936 Ca 0.24 2.10 0.24 0.00 2.13 0.00 0.00 52.55 57.26 3gtj s ASP 936 Cb -0.10 -2.61 0.45 0.00 -1.45 0.00 0.00 42.92 39.21 3gtj s ASP 936 CO 0.15 -0.09 1.16 0.00 0.13 0.00 0.00 175.17 176.52 3gtj n ALA 937 N 1.78 2.49 -1.01 3.66 0.00 -0.68 -4.89 120.51 121.87 3gtj n ALA 937 Ca 0.00 -2.50 -0.31 0.00 0.00 0.00 0.00 53.44 50.63 3gtj n ALA 937 Cb 0.46 -0.76 0.13 0.00 0.00 0.00 0.00 19.45 19.29 3gtj n ALA 937 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gtj s SER 938 N -2.52 3.62 -0.55 0.00 0.15 -1.26 -4.51 113.70 108.63 3gtj s SER 938 Ca 0.33 1.90 0.04 0.00 0.70 0.00 0.00 55.95 58.91 3gtj s SER 938 Cb 0.37 -2.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.35 3gtj s SER 938 CO -0.13 -2.61 0.36 -0.89 1.20 0.00 0.00 173.24 171.17 3gtj s THR 939 N -2.79 1.96 0.98 6.45 2.01 -0.47 -4.99 115.64 118.78 3gtj s THR 939 Ca 0.64 -3.35 -0.13 0.00 0.31 0.00 0.00 61.69 59.16 3gtj s THR 939 Cb -0.20 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.06 3gtj s THR 939 CO 0.57 -0.98 0.51 -2.65 -0.69 0.00 0.00 174.62 171.38 3gtj n PRO 940 N 2.75 -0.58 -1.57 4.92 -0.02 -1.26 -3.84 135.00 135.40 3gtj n PRO 940 Ca 0.16 -0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 3gtj n PRO 940 Cb 0.37 -1.94 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3gtj n PRO 940 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtj s LEU 941 N -2.36 2.63 -0.56 2.45 1.98 0.96 -4.88 118.68 118.89 3gtj s LEU 941 Ca 0.59 1.30 -0.27 0.00 -2.89 0.00 0.00 54.13 52.87 3gtj s LEU 941 Cb -0.20 -3.93 -0.03 0.00 0.66 0.00 0.00 46.19 42.69 3gtj s LEU 941 CO 0.66 -1.93 1.93 -0.13 -1.89 0.00 0.00 176.35 174.99 3gtj s ARG 942 N -5.17 2.64 0.63 1.98 1.81 -1.26 -4.73 118.95 114.85 3gtj s ARG 942 Ca 0.61 0.83 0.18 0.00 -1.72 0.00 0.00 55.73 55.63 3gtj s ARG 942 Cb -0.14 -4.39 0.65 0.00 -0.45 0.00 0.00 34.95 30.62 3gtj s ARG 942 CO 0.54 -2.70 1.24 0.66 -0.68 0.00 0.00 175.30 174.36 3gtj h SER 943 N 15.37 0.00 0.00 0.23 4.64 -1.93 0.49 113.55 132.35 3gtj h SER 943 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3gtj h SER 943 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gtj h SER 943 CO 1.19 0.00 -0.00 0.74 -0.87 0.00 0.00 176.83 177.88 3gtj h THR 944 N 0.00 1.66 -0.49 2.95 2.02 -1.94 -3.46 112.91 113.65 3gtj h THR 944 Ca 0.31 -1.98 -0.57 0.00 0.77 0.00 0.00 66.41 64.94 3gtj h THR 944 Cb 2.52 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 71.90 3gtj h THR 944 CO -0.00 0.51 -0.23 -1.61 0.37 0.00 0.00 175.52 174.56 3gtj s GLU 945 N -2.81 2.23 0.00 6.66 2.02 0.17 -5.00 118.70 121.98 3gtj s GLU 945 Ca -0.18 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 52.83 3gtj s GLU 945 Cb -0.02 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.99 3gtj s GLU 945 CO 0.68 -0.76 0.00 0.27 0.02 0.00 0.00 175.26 175.47 3gtj n ASN 946 N -1.95 0.00 0.00 -0.19 0.23 -1.26 -4.05 115.26 108.04 3gtj n ASN 946 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 3gtj n ASN 946 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3gtj n ASN 946 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gtj n GLY 947 N -0.23 -0.71 3.31 4.83 0.00 0.12 -4.84 105.19 107.67 3gtj n GLY 947 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3gtj n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtj s ILE 948 N -2.04 3.82 0.04 -0.61 1.01 0.07 0.23 121.20 123.72 3gtj s ILE 948 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 60.65 59.45 3gtj s ILE 948 Cb 0.00 -3.01 -0.16 0.00 0.01 0.00 0.00 42.46 39.30 3gtj s ILE 948 CO 0.00 0.03 1.45 0.52 0.00 0.00 0.00 174.94 176.94 3gtj n VAL 949 N 4.83 0.06 0.00 2.92 0.31 -1.05 -1.42 118.33 123.99 3gtj n VAL 949 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3gtj n VAL 949 Cb 0.47 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 3gtj n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gtj n ASP 950 N 3.18 0.00 -4.05 4.52 4.64 -0.06 -2.44 116.55 122.35 3gtj n ASP 950 Ca 0.19 0.15 -0.12 0.00 -1.38 0.00 0.00 54.79 53.64 3gtj n ASP 950 Cb 0.20 -0.40 -0.11 0.00 -1.04 0.00 0.00 41.12 39.77 3gtj n ASP 950 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3gtj s GLN 951 N -0.80 0.49 -0.27 -0.67 -0.21 -1.25 -4.64 119.66 112.30 3gtj s GLN 951 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.62 3gtj s GLN 951 Cb 0.00 -0.16 0.08 0.00 1.00 0.00 0.00 33.01 33.93 3gtj s GLN 951 CO 0.00 0.01 0.02 0.08 -2.12 0.00 0.00 175.29 173.29 3gtj s VAL 952 N -1.60 1.37 -0.43 1.09 1.01 -1.26 -2.67 120.40 117.91 3gtj s VAL 952 Ca -0.10 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 3gtj s VAL 952 Cb -0.09 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3gtj s VAL 952 CO -0.01 -0.39 0.75 -0.22 0.00 0.00 0.00 175.10 175.24 3gtj s LEU 953 N 1.41 4.27 -0.17 3.92 2.96 -0.50 -4.95 118.68 125.62 3gtj s LEU 953 Ca 0.03 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3gtj s LEU 953 Cb -0.18 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 3gtj s LEU 953 CO -0.13 -0.84 0.09 -0.69 -1.32 0.00 0.00 176.35 173.46 3gtj s VAL 954 N 3.14 5.04 0.00 1.68 1.01 -1.26 -1.64 120.40 128.36 3gtj s VAL 954 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3gtj s VAL 954 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3gtj s VAL 954 CO 0.21 0.48 0.00 0.41 0.00 0.00 0.00 175.10 176.20 3gtj n THR 955 N 3.26 0.00 -3.71 3.92 -1.04 -0.91 -5.05 114.28 110.75 3gtj n THR 955 Ca -0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3gtj n THR 955 Cb 0.53 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 3gtj n THR 955 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3gtj s THR 956 N -0.90 0.07 0.39 12.58 -1.32 -1.24 -3.06 115.64 122.15 3gtj s THR 956 Ca 0.00 -0.59 0.08 0.00 -1.21 0.00 0.00 61.69 59.97 3gtj s THR 956 Cb 0.00 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 3gtj s THR 956 CO 0.00 -0.32 0.39 0.21 -2.21 0.00 0.00 174.62 172.69 3gtj s ASN 957 N -2.11 5.28 0.61 8.08 2.47 -1.09 -4.82 114.94 123.36 3gtj s ASN 957 Ca -0.04 -0.58 0.27 0.00 0.42 0.00 0.00 52.86 52.93 3gtj s ASN 957 Cb -0.00 -0.75 1.35 0.00 -1.45 0.00 0.00 41.25 40.40 3gtj s ASN 957 CO -0.04 -0.57 1.77 1.56 -3.72 0.00 0.00 177.10 176.10 3gtj h GLN 958 N 1.02 0.00 -0.04 0.43 4.20 -1.93 0.40 115.11 119.19 3gtj h GLN 958 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3gtj h GLN 958 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3gtj h GLN 958 CO 0.55 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.46 3gtj n ASP 959 N -3.40 2.31 -1.27 1.46 9.92 -1.26 -3.09 116.55 121.22 3gtj n ASP 959 Ca 0.08 -1.77 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 3gtj n ASP 959 Cb 0.75 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 3gtj n ASP 959 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gtj n GLY 960 N 1.27 0.21 3.14 0.44 0.00 0.14 -4.99 105.19 105.41 3gtj n GLY 960 Ca 0.16 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3gtj n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtj s LEU 961 N -1.98 1.96 -0.52 0.99 1.43 -1.24 -4.86 118.68 114.46 3gtj s LEU 961 Ca 0.00 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 3gtj s LEU 961 Cb 0.00 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3gtj s LEU 961 CO 0.00 0.09 1.92 -0.75 0.23 0.00 0.00 176.35 177.84 3gtj s LYS 962 N 0.66 2.73 -0.02 1.70 2.20 -1.26 -2.67 119.74 123.07 3gtj s LYS 962 Ca -0.12 0.92 0.02 0.00 -0.36 0.00 0.00 55.97 56.43 3gtj s LYS 962 Cb -0.16 -4.37 0.01 0.00 -1.51 0.00 0.00 37.83 31.80 3gtj s LYS 962 CO 0.03 -2.59 -0.05 0.12 -0.36 0.00 0.00 175.35 172.50 3gtj s PHE 963 N 8.97 0.63 0.21 4.03 5.36 -1.17 -3.13 117.98 132.87 3gtj s PHE 963 Ca 0.75 -0.14 0.10 0.00 -0.96 0.00 0.00 56.93 56.67 3gtj s PHE 963 Cb -0.16 -0.49 -0.05 0.00 -0.34 0.00 0.00 43.02 41.98 3gtj s PHE 963 CO 0.25 -0.09 -0.19 0.08 -1.46 0.00 0.00 175.22 173.81 3gtj s VAL 964 N 0.36 2.05 -0.10 3.12 1.01 -0.27 -2.14 120.40 124.41 3gtj s VAL 964 Ca -0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 59.76 3gtj s VAL 964 Cb -0.08 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.29 3gtj s VAL 964 CO -0.00 -0.38 0.16 -0.54 0.00 0.00 0.00 175.10 174.33 3gtj s LYS 965 N -3.19 0.05 -0.21 2.72 1.02 -0.65 -2.59 119.74 116.88 3gtj s LYS 965 Ca 0.22 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 3gtj s LYS 965 Cb -0.05 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.77 3gtj s LYS 965 CO 0.09 -0.38 -0.11 0.08 -0.92 0.00 0.00 175.35 174.12 3gtj s VAL 966 N 2.28 2.73 -0.19 3.17 1.01 -0.98 -1.40 120.40 127.02 3gtj s VAL 966 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3gtj s VAL 966 Cb -0.13 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3gtj s VAL 966 CO -0.07 0.39 0.22 -0.60 0.00 0.00 0.00 175.10 175.04 3gtj s ARG 967 N 1.36 4.21 -0.11 2.72 3.52 -1.09 -0.41 118.95 129.14 3gtj s ARG 967 Ca 0.04 -0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3gtj s ARG 967 Cb -0.15 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3gtj s ARG 967 CO -0.07 0.23 -0.09 0.08 -0.81 0.00 0.00 175.30 174.63 3gtj s VAL 968 N 0.54 3.41 -0.01 7.11 1.01 -0.90 -0.88 120.40 130.69 3gtj s VAL 968 Ca 0.12 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3gtj s VAL 968 Cb -0.12 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3gtj s VAL 968 CO 0.02 0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 175.04 3gtj s ARG 969 N -0.03 2.73 -0.25 2.72 3.52 -0.51 -2.11 118.95 125.02 3gtj s ARG 969 Ca -0.01 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 3gtj s ARG 969 Cb -0.14 -2.63 0.10 0.00 -1.56 0.00 0.00 34.95 30.73 3gtj s ARG 969 CO 0.03 0.62 0.56 0.99 -0.81 0.00 0.00 175.30 176.70 3gtj s THR 970 N -1.04 -0.62 0.47 4.11 2.01 -0.50 -0.75 115.64 119.32 3gtj s THR 970 Ca 0.18 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 3gtj s THR 970 Cb -0.11 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 3gtj s THR 970 CO 0.09 0.03 1.03 -0.89 -0.69 0.00 0.00 174.62 174.18 3gtj s THR 971 N 2.44 3.87 -0.18 -0.82 2.01 -1.26 -2.37 115.64 119.32 3gtj s THR 971 Ca -0.06 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 3gtj s THR 971 Cb -0.10 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 68.98 3gtj s THR 971 CO -0.17 -0.24 0.03 -0.54 -0.69 0.00 0.00 174.62 173.01 3gtj s LYS 972 N -3.18 0.70 0.14 4.92 1.02 -1.08 -4.96 119.74 117.29 3gtj s LYS 972 Ca 0.66 -0.38 -0.22 0.00 0.02 0.00 0.00 55.97 56.04 3gtj s LYS 972 Cb -0.16 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 3gtj s LYS 972 CO 0.19 -0.60 0.69 0.42 -0.92 0.00 0.00 175.35 175.13 3gtj s ILE 973 N 1.85 4.53 -0.84 2.17 1.01 -1.26 -3.57 121.20 125.10 3gtj s ILE 973 Ca -0.00 1.47 -0.21 0.00 0.00 0.00 0.00 60.65 61.90 3gtj s ILE 973 Cb -0.17 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 3gtj s ILE 973 CO -0.08 0.50 2.24 -0.81 0.00 0.00 0.00 174.94 176.79 3gtj n PRO 974 N 1.54 0.34 0.00 2.79 -0.04 -1.26 -4.87 135.00 133.50 3gtj n PRO 974 Ca -0.07 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 3gtj n PRO 974 Cb 0.50 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 3gtj n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3gtj n GLN 975 N 7.79 2.12 0.00 0.54 7.27 -1.26 -5.06 117.38 128.79 3gtj n GLN 975 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3gtj n GLN 975 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 3gtj n GLN 975 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3gtj n ILE 976 N 0.00 0.00 -3.00 1.69 0.13 -1.26 -3.93 119.36 112.99 3gtj n ILE 976 Ca 0.00 1.38 -0.38 0.00 -1.10 0.00 0.00 62.75 62.65 3gtj n ILE 976 Cb 0.00 -2.30 -0.01 0.00 -0.84 0.00 0.00 39.64 36.49 3gtj n ILE 976 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gtj n GLY 977 N -0.90 5.37 3.77 4.50 0.00 -1.24 -3.59 105.19 113.09 3gtj n GLY 977 Ca 0.00 -2.68 -0.36 0.00 0.00 0.00 0.00 46.02 42.98 3gtj n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtj s ASP 978 N -1.98 6.36 0.28 1.61 1.01 -1.25 -3.47 116.67 119.23 3gtj s ASP 978 Ca 0.36 0.42 -0.30 0.00 0.71 0.00 0.00 52.55 53.74 3gtj s ASP 978 Cb 0.12 -2.13 -0.11 0.00 1.01 0.00 0.00 42.92 41.81 3gtj s ASP 978 CO 0.01 0.21 1.56 -0.75 0.21 0.00 0.00 175.17 176.42 3gtj s LYS 979 N -0.01 4.15 0.00 8.23 2.47 -1.04 -3.31 119.74 130.23 3gtj s LYS 979 Ca 0.13 2.53 0.00 0.00 -1.56 0.00 0.00 55.97 57.07 3gtj s LYS 979 Cb -0.12 -3.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 3gtj s LYS 979 CO 0.02 -0.59 0.00 1.19 0.16 0.00 0.00 175.35 176.13 3gtj n PHE 980 N 2.20 0.00 -0.51 4.03 3.01 0.35 -3.56 117.46 122.97 3gtj n PHE 980 Ca 0.08 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.61 3gtj n PHE 980 Cb 0.38 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 3gtj n PHE 980 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gtj n ALA 981 N -2.78 -1.33 -2.00 4.37 0.00 -1.25 -4.22 120.51 113.31 3gtj n ALA 981 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3gtj n ALA 981 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3gtj n ALA 981 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gtj n SER 982 N -2.77 0.00 -1.05 0.00 3.41 -1.25 -3.17 113.62 108.78 3gtj n SER 982 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.57 3gtj n SER 982 Cb 0.24 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3gtj n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtj n ARG 983 N 0.00 0.00 -2.70 4.33 1.74 -1.26 -3.49 116.66 115.28 3gtj n ARG 983 Ca 0.00 -1.14 -0.07 0.00 -0.77 0.00 0.00 57.85 55.86 3gtj n ARG 983 Cb 0.00 0.27 0.10 0.00 -1.02 0.00 0.00 32.46 31.82 3gtj n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gtj n HIS 984 N 0.13 -1.79 -1.00 -1.55 8.25 -1.26 -4.73 115.22 113.27 3gtj n HIS 984 Ca -0.15 -2.10 0.00 0.00 -0.26 0.00 0.00 57.72 55.21 3gtj n HIS 984 Cb 0.79 1.23 0.00 0.00 1.12 0.00 0.00 29.99 33.13 3gtj n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtj n GLY 985 N -0.47 0.03 1.94 -1.41 0.00 -1.26 -4.85 105.19 99.17 3gtj n GLY 985 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3gtj n GLY 985 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtj n GLN 986 N 0.72 1.84 -1.44 1.61 1.13 -1.26 -4.97 117.38 115.01 3gtj n GLN 986 Ca 0.00 -0.94 -0.32 0.00 -1.94 0.00 0.00 57.00 53.80 3gtj n GLN 986 Cb 0.46 -1.82 0.08 0.00 0.11 0.00 0.00 30.24 29.08 3gtj n GLN 986 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3gtj s LYS 987 N 0.54 2.32 -0.21 -1.09 -2.85 -1.26 -3.86 119.74 113.33 3gtj s LYS 987 Ca 0.53 1.42 -0.36 0.00 -1.00 0.00 0.00 55.97 56.56 3gtj s LYS 987 Cb 0.26 -1.89 0.15 0.00 -2.06 0.00 0.00 37.83 34.30 3gtj s LYS 987 CO -0.02 -1.63 1.37 0.20 0.10 0.00 0.00 175.35 175.37 3gtj s GLY 988 N -2.70 -0.30 0.36 0.59 0.00 -1.26 -4.79 107.32 99.22 3gtj s GLY 988 Ca 0.67 1.56 0.07 0.00 0.00 0.00 0.00 44.72 47.02 3gtj s GLY 988 CO 0.48 0.48 0.49 -0.51 0.00 0.00 0.00 173.10 174.04 3gtj s THR 989 N -2.11 3.78 -0.15 0.90 -4.23 -1.17 -0.50 115.64 112.16 3gtj s THR 989 Ca 0.12 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.34 3gtj s THR 989 Cb 0.02 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 3gtj s THR 989 CO -0.04 -0.12 0.97 -0.63 -0.54 0.00 0.00 174.62 174.27 3gtj s ILE 990 N -2.22 4.78 -0.11 2.99 1.01 -1.21 -0.72 121.20 125.72 3gtj s ILE 990 Ca 0.47 1.94 -0.00 0.00 0.00 0.00 0.00 60.65 63.07 3gtj s ILE 990 Cb -0.10 -4.27 -0.25 0.00 0.01 0.00 0.00 42.46 37.86 3gtj s ILE 990 CO 0.31 -0.03 0.39 0.61 0.00 0.00 0.00 174.94 176.22 3gtj n GLY 991 N 3.23 -0.67 3.59 6.18 0.00 0.12 -3.70 105.19 113.93 3gtj n GLY 991 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3gtj n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gtj s ILE 992 N -2.56 0.00 -0.05 -0.61 1.10 -1.21 -4.99 121.20 112.87 3gtj s ILE 992 Ca -0.18 -1.42 0.03 0.00 -0.51 0.00 0.00 60.65 58.57 3gtj s ILE 992 Cb 0.07 -2.45 0.01 0.00 0.15 0.00 0.00 42.46 40.24 3gtj s ILE 992 CO 0.77 0.00 -0.12 0.42 -2.11 0.00 0.00 174.94 173.90 3gtj s THR 993 N -3.44 1.09 0.03 4.00 -4.23 -1.26 -1.17 115.64 110.67 3gtj s THR 993 Ca 0.24 -0.49 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 3gtj s THR 993 Cb -0.01 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 3gtj s THR 993 CO 0.13 0.34 -0.26 -0.31 -0.54 0.00 0.00 174.62 173.98 3gtj s TYR 994 N 0.44 2.31 0.64 3.99 4.12 -0.90 -4.84 117.35 123.11 3gtj s TYR 994 Ca -0.10 -0.42 -0.13 0.00 0.02 0.00 0.00 57.07 56.45 3gtj s TYR 994 Cb -0.13 -1.40 -0.02 0.00 -1.52 0.00 0.00 41.96 38.88 3gtj s TYR 994 CO 0.03 0.09 1.05 1.03 0.02 0.00 0.00 175.55 177.76 3gtj s ARG 995 N -1.11 3.22 0.60 -0.62 0.52 -1.26 -0.68 118.95 119.63 3gtj s ARG 995 Ca 0.11 0.99 0.28 0.00 -0.52 0.00 0.00 55.73 56.58 3gtj s ARG 995 Cb -0.10 -2.03 1.30 0.00 0.52 0.00 0.00 34.95 34.64 3gtj s ARG 995 CO 0.01 -0.88 1.71 -0.09 0.02 0.00 0.00 175.30 176.08 3gtj h ARG 996 N -0.23 0.00 -0.30 3.54 2.43 -1.94 -2.17 114.38 115.71 3gtj h ARG 996 Ca -0.45 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.55 3gtj h ARG 996 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3gtj h ARG 996 CO 0.58 0.00 -0.49 0.93 -1.51 0.00 0.00 179.97 179.48 3gtj h GLU 997 N 0.00 0.83 -0.55 0.20 3.07 -1.97 -3.27 114.58 112.88 3gtj h GLU 997 Ca 0.27 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3gtj h GLU 997 Cb 1.64 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 3gtj h GLU 997 CO -0.00 1.12 0.00 -0.25 -1.40 0.00 0.00 179.01 178.48 3gtj n ASP 998 N -4.02 3.03 -4.91 1.42 10.43 -0.82 -4.52 116.55 117.15 3gtj n ASP 998 Ca -0.03 -2.07 -0.28 0.00 2.57 0.00 0.00 54.79 54.98 3gtj n ASP 998 Cb 0.59 -0.39 -0.04 0.00 1.84 0.00 0.00 41.12 43.13 3gtj n ASP 998 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3gtj s MET 999 N -1.38 3.35 0.74 -1.24 1.75 -1.21 -4.44 119.30 116.87 3gtj s MET 999 Ca 0.36 -0.58 -0.13 0.00 -1.25 0.00 0.00 55.69 54.09 3gtj s MET 999 Cb 0.20 -2.94 0.04 0.00 2.84 0.00 0.00 34.83 34.97 3gtj s MET 999 CO 0.23 0.55 1.14 -1.25 -0.65 0.00 0.00 175.02 175.04 3gtj s PRO 1000N -2.94 2.25 -0.17 4.11 0.04 -1.26 -3.76 135.00 133.27 3gtj s PRO 1000Ca 0.34 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3gtj s PRO 1000Cb -0.12 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.61 3gtj s PRO 1000CO 0.27 -1.69 0.43 -0.59 0.04 0.00 0.00 177.00 175.46 3gtj s PHE 1001N -2.38 -0.60 0.62 0.56 -0.12 -0.91 -4.34 117.98 110.81 3gtj s PHE 1001Ca 0.68 1.30 -0.15 0.00 -0.05 0.00 0.00 56.93 58.71 3gtj s PHE 1001Cb -0.23 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3gtj s PHE 1001CO 0.48 -0.33 1.07 -0.08 -0.05 0.00 0.00 175.22 176.31 3gtj s THR 1002N 1.16 3.72 -1.13 -4.49 -1.32 -1.03 -1.79 115.64 110.77 3gtj s THR 1002Ca -0.08 0.78 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 3gtj s THR 1002Cb -0.07 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 3gtj s THR 1002CO -0.10 -0.52 0.88 0.00 -2.21 0.00 0.00 174.62 172.67 3gtj n ALA 1003N -2.24 1.04 0.14 11.08 0.00 -1.26 -0.23 120.51 129.04 3gtj n ALA 1003Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.63 3gtj n ALA 1003Cb 0.53 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.09 3gtj n ALA 1003CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gtj h GLU 1004N 0.00 0.00 0.00 0.00 4.81 -1.93 -3.47 114.58 113.98 3gtj h GLU 1004Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gtj h GLU 1004Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3gtj h GLU 1004CO 0.00 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 3gtj n GLY 1005N 1.17 0.81 3.76 1.92 0.00 0.68 -5.09 105.19 108.45 3gtj n GLY 1005Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gtj n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtj s ILE 1006N -2.00 3.14 0.11 -0.61 -1.09 -1.25 -4.82 121.20 114.67 3gtj s ILE 1006Ca 0.00 1.11 0.07 0.00 -2.23 0.00 0.00 60.65 59.61 3gtj s ILE 1006Cb 0.00 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 3gtj s ILE 1006CO 0.00 0.24 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.15 3gtj s VAL 1007N -1.20 3.30 0.03 2.92 1.01 -1.26 -2.48 120.40 122.72 3gtj s VAL 1007Ca 0.48 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 3gtj s VAL 1007Cb -0.35 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3gtj s VAL 1007CO 0.45 0.10 0.74 -2.16 0.00 0.00 0.00 175.10 174.23 3gtj s PRO 1008N -2.22 4.47 0.43 2.72 0.05 -1.26 -4.95 135.00 134.24 3gtj s PRO 1008Ca 0.21 1.01 0.22 0.00 0.05 0.00 0.00 61.00 62.48 3gtj s PRO 1008Cb -0.11 -3.37 0.95 0.00 0.05 0.00 0.00 34.50 32.03 3gtj s PRO 1008CO 0.13 0.28 1.86 -0.44 0.05 0.00 0.00 177.00 178.88 3gtj h ASP 1009N 5.75 0.00 -4.58 6.66 3.32 -1.65 -3.39 116.42 122.53 3gtj h ASP 1009Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3gtj h ASP 1009Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 3gtj h ASP 1009CO 0.71 0.27 0.27 -1.48 -1.72 0.00 0.00 179.24 177.28 3gtj s LEU 1010N -7.16 -0.60 -0.15 1.55 2.34 -0.92 -0.82 118.68 112.92 3gtj s LEU 1010Ca -0.01 0.77 0.01 0.00 0.06 0.00 0.00 54.13 54.97 3gtj s LEU 1010Cb 0.12 2.36 0.02 0.00 -0.56 0.00 0.00 46.19 48.12 3gtj s LEU 1010CO 0.65 -0.48 -0.18 -0.63 -1.06 0.00 0.00 176.35 174.65 3gtj s ILE 1011N -0.87 1.86 0.10 1.48 1.01 -0.72 -0.16 121.20 123.90 3gtj s ILE 1011Ca -0.07 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3gtj s ILE 1011Cb -0.01 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3gtj s ILE 1011CO 0.06 0.51 -0.03 0.27 0.00 0.00 0.00 174.94 175.75 3gtj s ILE 1012N 1.15 3.79 -0.18 2.92 -4.36 -0.07 -1.79 121.20 122.66 3gtj s ILE 1012Ca -0.00 -1.12 -0.27 0.00 -0.26 0.00 0.00 60.65 58.99 3gtj s ILE 1012Cb -0.14 -2.81 -0.00 0.00 1.25 0.00 0.00 42.46 40.76 3gtj s ILE 1012CO -0.07 0.09 0.94 0.21 0.24 0.00 0.00 174.94 176.35 3gtj s ASN 1013N -2.34 7.05 0.00 4.36 3.84 -1.26 -2.38 114.94 124.21 3gtj s ASN 1013Ca 0.25 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.62 3gtj s ASN 1013Cb -0.11 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 3gtj s ASN 1013CO 0.17 -0.52 0.58 -0.81 -2.79 0.00 0.00 177.10 173.74 3gtj n PRO 1014N 5.64 0.00 0.09 0.43 -0.04 -1.26 -1.87 135.00 137.99 3gtj n PRO 1014Ca 0.08 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 3gtj n PRO 1014Cb 0.48 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3gtj n PRO 1014CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gtj h HIS 1015N 0.00 0.00 -1.43 0.54 3.86 -1.96 -3.30 115.15 112.86 3gtj h HIS 1015Ca 0.00 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 3gtj h HIS 1015Cb 0.07 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.36 3gtj h HIS 1015CO 0.00 0.83 1.63 0.00 0.86 0.00 0.00 177.93 181.25 3gtj n ALA 1016N -2.31 6.57 0.07 2.45 0.00 -0.78 -4.29 120.51 122.21 3gtj n ALA 1016Ca 0.01 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3gtj n ALA 1016Cb 0.87 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3gtj n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtj n ILE 1017N 1.01 0.37 0.27 0.00 2.08 -1.24 -4.87 119.36 116.98 3gtj n ILE 1017Ca 0.56 0.12 0.16 0.00 0.56 0.00 0.00 62.75 64.15 3gtj n ILE 1017Cb 0.31 -0.81 0.72 0.00 -0.75 0.00 0.00 39.64 39.11 3gtj n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3gtj h PRO 1018N 0.00 0.00 0.04 0.38 0.11 -1.80 -1.69 132.00 129.05 3gtj h PRO 1018Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 3gtj h PRO 1018Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3gtj h PRO 1018CO 0.00 0.06 -1.28 0.66 -0.21 0.00 0.00 178.00 177.23 3gtj h SER 1019N 0.00 0.14 0.00 -2.05 4.64 -1.91 -3.35 113.55 111.02 3gtj h SER 1019Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3gtj h SER 1019Cb 0.47 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3gtj h SER 1019CO 0.01 1.15 -1.11 -2.11 -0.87 0.00 0.00 176.83 173.89 3gtj n ARG 1020N -3.34 1.54 -2.56 4.77 1.85 -1.23 -5.06 116.66 112.62 3gtj n ARG 1020Ca -0.08 -0.06 -0.08 0.00 -1.00 0.00 0.00 57.85 56.63 3gtj n ARG 1020Cb 0.99 -1.15 0.01 0.00 -1.05 0.00 0.00 32.46 31.27 3gtj n ARG 1020CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3gtj n MET 1021N -1.64 -1.85 -2.89 2.89 2.81 -0.64 -4.82 117.12 110.99 3gtj n MET 1021Ca -0.01 0.32 -0.43 0.00 -1.81 0.00 0.00 57.70 55.77 3gtj n MET 1021Cb 0.23 -3.94 -0.04 0.00 -0.71 0.00 0.00 33.22 28.76 3gtj n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3gtj s THR 1022N -2.79 4.40 -0.01 2.03 -1.32 -1.25 -4.18 115.64 112.52 3gtj s THR 1022Ca 0.12 -0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.22 3gtj s THR 1022Cb -0.05 -4.63 -0.29 0.00 -1.51 0.00 0.00 72.50 66.02 3gtj s THR 1022CO 0.15 -1.34 0.81 0.58 -2.21 0.00 0.00 174.62 172.60 3gtj h VAL 1023N 5.97 1.10 -1.00 5.08 2.07 -1.94 -3.35 116.25 124.19 3gtj h VAL 1023Ca -0.28 -2.70 0.30 0.00 0.82 0.00 0.00 66.70 64.83 3gtj h VAL 1023Cb 1.07 2.79 -0.14 0.00 -1.52 0.00 0.00 31.29 33.49 3gtj h VAL 1023CO 1.15 0.83 0.56 0.00 0.02 0.00 0.00 177.57 180.13 3gtj h ALA 1024N 0.34 1.88 -0.61 1.67 0.00 -1.84 0.54 119.26 121.24 3gtj h ALA 1024Ca -0.28 0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3gtj h ALA 1024Cb 2.06 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.92 3gtj h ALA 1024CO 0.18 -0.48 0.34 1.25 0.00 0.00 0.00 179.25 180.54 3gtj h HIS 1025N 0.40 0.63 -0.48 0.00 6.17 -1.89 0.41 115.15 120.38 3gtj h HIS 1025Ca 0.70 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.75 3gtj h HIS 1025Cb 1.52 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 31.23 3gtj h HIS 1025CO -0.02 0.32 0.10 -0.07 0.71 0.00 0.00 177.93 178.97 3gtj h LEU 1026N 0.65 0.69 0.09 0.26 3.38 -1.09 -3.08 115.31 116.20 3gtj h LEU 1026Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gtj h LEU 1026Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gtj h LEU 1026CO -0.16 0.69 -0.04 0.40 0.09 0.00 0.00 178.44 179.43 3gtj h ILE 1027N 0.71 1.14 -1.08 1.22 2.04 0.13 -2.98 117.51 118.69 3gtj h ILE 1027Ca 0.16 -1.36 0.32 0.00 1.00 0.00 0.00 64.86 64.98 3gtj h ILE 1027Cb 0.30 1.95 -0.12 0.00 -0.74 0.00 0.00 36.82 38.20 3gtj h ILE 1027CO 0.00 0.31 0.66 1.05 0.00 0.00 0.00 178.15 180.17 3gtj h GLU 1028N -0.79 0.32 -0.36 2.37 4.11 -0.36 1.01 114.58 120.89 3gtj h GLU 1028Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 3gtj h GLU 1028Cb 0.59 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3gtj h GLU 1028CO 0.02 0.21 -0.12 0.00 0.07 0.00 0.00 179.01 179.20 3gtj n LEU 1030N -4.36 0.23 -0.11 0.00 7.94 0.34 -3.25 117.00 117.78 3gtj n LEU 1030Ca -0.02 0.54 -0.23 0.00 -1.11 0.00 0.00 56.01 55.19 3gtj n LEU 1030Cb 0.37 -0.48 -0.11 0.00 0.53 0.00 0.00 43.42 43.72 3gtj n LEU 1030CO 0.42 -0.19 -0.63 -0.11 -1.11 0.00 0.00 177.39 175.78 3gtj n LEU 1031N -1.73 1.87 0.18 -1.96 7.94 -0.29 -4.15 117.00 118.86 3gtj n LEU 1031Ca 0.05 0.41 0.06 0.00 -1.11 0.00 0.00 56.01 55.42 3gtj n LEU 1031Cb 0.28 -0.95 0.54 0.00 0.53 0.00 0.00 43.42 43.82 3gtj n LEU 1031CO 0.22 0.30 1.03 0.28 -1.11 0.00 0.00 177.39 178.12 3gtj h SER 1032N -1.00 0.13 0.16 1.96 0.02 -1.28 -0.37 113.55 113.17 3gtj h SER 1032Ca -0.39 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3gtj h SER 1032Cb 1.33 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3gtj h SER 1032CO -0.23 0.16 -0.18 0.50 -1.14 0.00 0.00 176.83 175.93 3gtj h LYS 1033N 0.15 -0.33 -0.94 3.45 3.64 -1.75 0.10 116.57 120.89 3gtj h LYS 1033Ca 0.04 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.68 3gtj h LYS 1033Cb 0.10 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 3gtj h LYS 1033CO 0.00 -0.22 0.64 0.28 -2.27 0.00 0.00 179.45 177.88 3gtj h VAL 1034N -0.35 0.59 -0.03 2.00 2.07 -1.28 0.47 116.25 119.72 3gtj h VAL 1034Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3gtj h VAL 1034Cb 0.31 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3gtj h VAL 1034CO -0.03 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3gtj h ALA 1035N 1.58 0.04 -0.72 1.67 0.00 -0.94 -1.69 119.26 119.20 3gtj h ALA 1035Ca 0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gtj h ALA 1035Cb 1.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3gtj h ALA 1035CO -0.12 -0.29 0.43 0.00 0.00 0.00 0.00 179.25 179.27 3gtj h ALA 1036N 0.71 0.92 0.57 0.00 0.00 0.20 0.17 119.26 121.82 3gtj h ALA 1036Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gtj h ALA 1036Cb 0.32 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gtj h ALA 1036CO 0.00 0.39 -0.27 -0.07 0.00 0.00 0.00 179.25 179.30 3gtj h LEU 1037N 0.98 -0.65 -0.00 0.00 3.38 -1.26 -3.15 115.31 114.61 3gtj h LEU 1037Ca 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gtj h LEU 1037Cb -0.03 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gtj h LEU 1037CO -0.05 -0.37 0.00 -1.54 0.09 0.00 0.00 178.44 176.57 3gtj n SER 1038N -5.37 0.27 -0.32 -0.43 3.41 -0.64 -4.91 113.62 105.64 3gtj n SER 1038Ca -0.12 0.53 -0.03 0.00 -0.26 0.00 0.00 58.87 58.98 3gtj n SER 1038Cb 0.33 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3gtj n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtj n GLY 1039N 1.41 0.44 0.76 5.00 0.00 0.52 -5.03 105.19 108.29 3gtj n GLY 1039Ca 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 3gtj n GLY 1039CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtj n ASN 1040N 1.41 1.01 -4.80 1.61 4.13 -0.82 -5.02 115.26 112.79 3gtj n ASN 1040Ca -0.04 -1.35 -0.27 0.00 1.68 0.00 0.00 54.58 54.60 3gtj n ASN 1040Cb 0.31 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.46 3gtj n ASN 1040CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3gtj s GLU 1041N -2.47 2.91 -0.19 3.52 2.12 -1.26 -4.62 118.70 118.71 3gtj s GLU 1041Ca 0.08 -0.82 -0.15 0.00 0.36 0.00 0.00 54.97 54.45 3gtj s GLU 1041Cb -0.01 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 3gtj s GLU 1041CO 0.05 0.51 0.34 0.20 -0.54 0.00 0.00 175.26 175.81 3gtj s GLY 1042N -2.92 2.13 -1.04 -1.50 0.00 0.20 -4.97 107.32 99.22 3gtj s GLY 1042Ca 0.31 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.47 3gtj s GLY 1042CO 0.23 0.63 1.44 1.34 0.00 0.00 0.00 173.10 176.74 3gtj n ASP 1043N 4.10 6.25 0.00 1.64 2.03 -1.26 -0.11 116.55 129.20 3gtj n ASP 1043Ca -0.10 -3.44 0.11 0.00 0.52 0.00 0.00 54.79 51.88 3gtj n ASP 1043Cb 0.51 -1.21 0.62 0.00 -0.72 0.00 0.00 41.12 40.33 3gtj n ASP 1043CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtj n ALA 1044N 1.18 2.25 -1.42 -1.67 0.00 0.02 -4.92 120.51 115.95 3gtj n ALA 1044Ca 0.27 -0.12 -0.50 0.00 0.00 0.00 0.00 53.44 53.09 3gtj n ALA 1044Cb 0.33 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 3gtj n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gtj n SER 1045N -1.17 -1.00 0.00 0.00 7.64 -1.14 -1.09 113.62 116.86 3gtj n SER 1045Ca 0.14 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.15 3gtj n SER 1045Cb 0.14 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3gtj n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3gtj n PRO 1046N 1.09 0.00 -3.39 1.43 -0.02 -1.26 -4.49 135.00 128.36 3gtj n PRO 1046Ca 0.18 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 3gtj n PRO 1046Cb 0.22 -1.22 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 3gtj n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3gtj s PHE 1047N -1.86 3.29 0.08 6.00 0.40 -1.26 -4.78 117.98 119.84 3gtj s PHE 1047Ca 0.00 0.49 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 3gtj s PHE 1047Cb 0.00 -2.56 0.08 0.00 0.51 0.00 0.00 43.02 41.06 3gtj s PHE 1047CO 0.00 -0.15 0.77 0.95 0.70 0.00 0.00 175.22 177.49 3gtj s THR 1048N 1.80 0.00 -0.53 0.64 -4.23 -1.26 -5.01 115.64 107.04 3gtj s THR 1048Ca 0.17 -0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 3gtj s THR 1048Cb -0.15 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.64 3gtj s THR 1048CO 0.09 0.00 2.81 0.47 -0.54 0.00 0.00 174.62 177.45 3gtj n ASP 1049N -0.32 6.57 -4.58 3.99 8.00 -1.26 -4.88 116.55 124.06 3gtj n ASP 1049Ca -0.12 -3.12 -0.37 0.00 0.71 0.00 0.00 54.79 51.90 3gtj n ASP 1049Cb 0.63 -1.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.35 3gtj n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gtj s ILE 1050N -1.74 4.98 0.05 0.53 1.01 -1.26 -5.10 121.20 119.67 3gtj s ILE 1050Ca 0.59 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.38 3gtj s ILE 1050Cb 0.35 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3gtj s ILE 1050CO -0.18 0.34 -0.24 -0.89 0.00 0.00 0.00 174.94 173.96 3gtj s THR 1051N 1.25 2.31 0.17 2.92 2.01 -1.26 -5.00 115.64 118.05 3gtj s THR 1051Ca 0.06 -1.36 0.32 0.00 0.31 0.00 0.00 61.69 61.02 3gtj s THR 1051Cb -0.14 -1.93 0.36 0.00 0.01 0.00 0.00 72.50 70.80 3gtj s THR 1051CO 0.05 0.35 1.99 0.58 -0.69 0.00 0.00 174.62 176.90 3gtj h VAL 1052N 4.14 0.15 0.39 3.82 2.07 -1.99 0.11 116.25 124.94 3gtj h VAL 1052Ca -0.47 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 3gtj h VAL 1052Cb 1.15 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3gtj h VAL 1052CO 0.44 0.05 -0.19 -0.33 0.02 0.00 0.00 177.57 177.56 3gtj h GLU 1053N 0.00 -0.51 0.00 1.57 4.39 -1.94 -3.07 114.58 115.02 3gtj h GLU 1053Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3gtj h GLU 1053Cb 0.51 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3gtj h GLU 1053CO 0.01 -0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 3gtj n GLY 1054N 0.18 -0.79 0.10 -3.84 0.00 -0.95 -1.34 105.19 98.55 3gtj n GLY 1054Ca -0.08 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 3gtj n GLY 1054CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gtj h ILE 1055N 0.00 0.77 0.00 -0.61 1.08 -0.88 -3.36 117.51 114.51 3gtj h ILE 1055Ca 0.00 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3gtj h ILE 1055Cb 0.00 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 3gtj h ILE 1055CO 0.00 0.24 0.00 -1.20 -0.69 0.00 0.00 178.15 176.50 3gtj n SER 1056N -4.80 0.01 0.16 1.72 7.64 -0.78 0.31 113.62 117.88 3gtj n SER 1056Ca -0.06 0.50 0.13 0.00 1.01 0.00 0.00 58.87 60.46 3gtj n SER 1056Cb 0.23 -0.51 0.51 0.00 -1.01 0.00 0.00 64.21 63.43 3gtj n SER 1056CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3gtj h LYS 1057N 0.00 0.00 0.00 1.43 1.57 -1.36 -3.01 116.57 115.20 3gtj h LYS 1057Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gtj h LYS 1057Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gtj h LYS 1057CO 0.00 0.00 -0.52 1.28 -0.57 0.00 0.00 179.45 179.64 3gtj n LEU 1058N -2.46 1.67 -0.37 2.94 4.77 0.15 -3.69 117.00 120.01 3gtj n LEU 1058Ca 0.02 0.57 0.33 0.00 -0.03 0.00 0.00 56.01 56.90 3gtj n LEU 1058Cb 0.29 -0.83 0.66 0.00 -2.33 0.00 0.00 43.42 41.21 3gtj n LEU 1058CO 0.24 -0.46 1.29 0.25 -1.33 0.00 0.00 177.39 177.38 3gtj h LEU 1059N -0.92 0.19 -0.37 2.23 5.85 -1.62 0.87 115.31 121.54 3gtj h LEU 1059Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3gtj h LEU 1059Cb 0.52 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3gtj h LEU 1059CO 0.00 0.00 0.05 -0.09 -0.34 0.00 0.00 178.44 178.06 3gtj h ARG 1060N 0.15 0.62 0.00 1.25 9.65 -1.65 -2.44 114.38 121.95 3gtj h ARG 1060Ca 0.64 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 3gtj h ARG 1060Cb 2.17 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.68 3gtj h ARG 1060CO -0.17 0.69 0.00 0.39 2.80 0.00 0.00 179.97 183.68 3gtj n GLU 1061N -4.54 0.65 -0.58 0.20 1.02 0.26 -2.57 120.64 115.07 3gtj n GLU 1061Ca -0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 3gtj n GLU 1061Cb 0.24 -1.47 0.24 0.00 -0.02 0.00 0.00 31.44 30.43 3gtj n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gtj n HIS 1062N -0.97 1.08 -3.12 -0.32 8.25 -0.93 -5.00 115.22 114.21 3gtj n HIS 1062Ca 0.15 -1.12 -0.14 0.00 -0.26 0.00 0.00 57.72 56.35 3gtj n HIS 1062Cb 0.07 -0.39 0.07 0.00 1.12 0.00 0.00 29.99 30.85 3gtj n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtj n GLY 1063N -0.70 -0.16 3.26 -1.41 0.00 -1.06 -5.03 105.19 100.08 3gtj n GLY 1063Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3gtj n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gtj s TYR 1064N -3.26 -0.08 -0.13 1.61 1.51 -1.16 -5.06 117.35 110.78 3gtj s TYR 1064Ca 0.11 -0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.72 3gtj s TYR 1064Cb -0.05 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.87 3gtj s TYR 1064CO 0.54 -0.56 1.60 -1.14 -1.11 0.00 0.00 175.55 174.89 3gtj s GLN 1065N -3.12 4.02 0.00 -0.62 2.00 -1.26 -3.99 119.66 116.69 3gtj s GLN 1065Ca -0.01 1.92 0.04 0.00 -2.00 0.00 0.00 55.36 55.31 3gtj s GLN 1065Cb 0.01 -3.99 0.22 0.00 0.80 0.00 0.00 33.01 30.05 3gtj s GLN 1065CO -0.07 -1.03 0.57 -1.13 -0.50 0.00 0.00 175.29 173.13 3gtj n SER 1066N 7.67 0.00 0.00 6.67 3.41 -1.26 -1.16 113.62 128.95 3gtj n SER 1066Ca 0.18 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3gtj n SER 1066Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3gtj n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtj n ARG 1067N -0.72 1.44 0.00 4.33 5.12 -1.26 -4.51 116.66 121.06 3gtj n ARG 1067Ca 0.03 -0.98 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 3gtj n ARG 1067Cb 0.01 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 3gtj n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gtj n GLY 1068N -0.25 0.36 3.79 -0.13 0.00 -0.31 -5.01 105.19 103.63 3gtj n GLY 1068Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gtj n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtj s PHE 1069N -2.00 2.86 -0.16 1.61 0.40 -1.26 -3.16 117.98 116.27 3gtj s PHE 1069Ca 0.00 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 57.82 3gtj s PHE 1069Cb 0.00 -3.13 0.07 0.00 0.51 0.00 0.00 43.02 40.48 3gtj s PHE 1069CO 0.00 -1.22 0.34 -1.21 0.70 0.00 0.00 175.22 173.83 3gtj s GLU 1070N -3.57 0.24 -0.10 0.44 2.02 0.01 -4.37 118.70 113.37 3gtj s GLU 1070Ca 0.68 0.86 -0.36 0.00 0.02 0.00 0.00 54.97 56.17 3gtj s GLU 1070Cb -0.19 0.12 -0.14 0.00 0.10 0.00 0.00 34.13 34.02 3gtj s GLU 1070CO 0.29 -0.25 1.76 0.28 0.02 0.00 0.00 175.26 177.36 3gtj n VAL 1071N 5.21 0.38 -4.38 2.63 0.31 -1.26 -3.11 118.33 118.11 3gtj n VAL 1071Ca -0.10 -0.07 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 3gtj n VAL 1071Cb 0.50 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 31.78 3gtj n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3gtj s MET 1072N 3.25 2.05 -0.03 5.55 1.00 -1.26 -4.17 119.30 125.70 3gtj s MET 1072Ca 0.92 -1.88 0.07 0.00 0.00 0.00 0.00 55.69 54.80 3gtj s MET 1072Cb -0.82 -1.85 -0.02 0.00 0.00 0.00 0.00 34.83 32.14 3gtj s MET 1072CO 0.54 0.03 -0.23 0.71 0.00 0.00 0.00 175.02 176.07 3gtj s TYR 1073N -2.59 2.11 1.05 -0.03 1.51 -0.74 -1.03 117.35 117.63 3gtj s TYR 1073Ca 0.36 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 3gtj s TYR 1073Cb 0.04 -1.37 0.22 0.00 -0.11 0.00 0.00 41.96 40.74 3gtj s TYR 1073CO 0.19 -0.08 1.07 -1.71 -1.11 0.00 0.00 175.55 173.92 3gtj n ASN 1074N 2.65 -0.73 -0.08 2.29 2.85 -1.13 -2.14 115.26 118.97 3gtj n ASN 1074Ca -0.16 0.12 -0.20 0.00 -0.11 0.00 0.00 54.58 54.23 3gtj n ASN 1074Cb 0.52 -1.37 -0.12 0.00 1.24 0.00 0.00 39.78 40.05 3gtj n ASN 1074CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3gtj h GLY 1075N -2.31 0.05 2.00 8.20 0.00 -1.78 -2.71 103.07 106.53 3gtj h GLY 1075Ca -0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 3gtj h GLY 1075CO 0.45 0.11 -0.12 0.45 0.00 0.00 0.00 176.54 177.43 3gtj h HIS 1076N -0.85 0.00 0.00 5.60 3.86 -1.80 -3.36 115.15 118.60 3gtj h HIS 1076Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3gtj h HIS 1076Cb 1.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.82 3gtj h HIS 1076CO 0.13 0.12 -0.72 -2.37 0.86 0.00 0.00 177.93 175.95 3gtj n THR 1077N -3.99 0.00 -1.32 2.45 5.66 -1.26 -5.02 114.28 110.79 3gtj n THR 1077Ca -0.02 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.89 3gtj n THR 1077Cb 0.21 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.32 3gtj n THR 1077CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gtj n GLY 1078N 2.45 0.93 3.62 1.09 0.00 -1.02 -5.00 105.19 107.26 3gtj n GLY 1078Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3gtj n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtj s LYS 1079N -2.86 4.09 -0.19 1.61 2.20 -1.26 -4.75 119.74 118.58 3gtj s LYS 1079Ca 0.00 0.31 -0.34 0.00 -0.36 0.00 0.00 55.97 55.58 3gtj s LYS 1079Cb 0.00 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.53 3gtj s LYS 1079CO 0.00 -0.31 1.05 1.17 -0.36 0.00 0.00 175.35 176.91 3gtj n LYS 1080N 5.38 0.00 -2.41 4.03 4.81 -1.26 -2.82 118.16 125.89 3gtj n LYS 1080Ca -0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.97 3gtj n LYS 1080Cb 0.50 -1.19 -0.02 0.00 0.02 0.00 0.00 35.03 34.33 3gtj n LYS 1080CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3gtj s LEU 1081N 1.15 4.21 0.28 3.14 1.43 -0.19 -4.88 118.68 123.82 3gtj s LEU 1081Ca 0.78 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 3gtj s LEU 1081Cb -1.10 -3.54 0.68 0.00 0.03 0.00 0.00 46.19 42.26 3gtj s LEU 1081CO 0.55 -0.74 1.67 -0.03 0.23 0.00 0.00 176.35 178.03 3gtj h MET 1082N 8.12 0.26 -5.82 1.70 4.05 -1.89 -3.40 114.93 117.96 3gtj h MET 1082Ca -0.28 -0.02 -0.67 0.00 -0.28 0.00 0.00 59.70 58.45 3gtj h MET 1082Cb 1.12 -0.06 -0.17 0.00 -0.80 0.00 0.00 31.60 31.69 3gtj h MET 1082CO 0.95 0.17 -0.64 0.00 0.23 0.00 0.00 176.91 177.63 3gtj s ALA 1083N -5.94 3.19 0.83 0.39 0.00 -1.26 -5.11 121.76 113.86 3gtj s ALA 1083Ca -0.12 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 3gtj s ALA 1083Cb 0.25 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.97 3gtj s ALA 1083CO 0.77 0.48 1.09 -0.65 0.00 0.00 0.00 175.76 177.45 3gtj s GLN 1084N -0.53 1.82 -0.04 0.00 1.11 -1.26 -4.78 119.66 115.98 3gtj s GLN 1084Ca 0.09 0.87 0.01 0.00 0.01 0.00 0.00 55.36 56.34 3gtj s GLN 1084Cb -0.12 -1.87 0.02 0.00 -1.01 0.00 0.00 33.01 30.03 3gtj s GLN 1084CO 0.02 -1.86 -0.05 0.42 0.01 0.00 0.00 175.29 173.82 3gtj s ILE 1085N -2.99 0.57 0.03 1.08 1.01 -1.18 -4.90 121.20 114.82 3gtj s ILE 1085Ca 0.62 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 3gtj s ILE 1085Cb -0.17 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3gtj s ILE 1085CO 0.56 0.22 1.01 0.12 0.00 0.00 0.00 174.94 176.84 3gtj s PHE 1086N 0.65 3.66 -0.29 3.97 5.36 -1.26 -0.81 117.98 129.26 3gtj s PHE 1086Ca -0.09 1.67 -0.14 0.00 -0.96 0.00 0.00 56.93 57.41 3gtj s PHE 1086Cb -0.12 -3.15 0.11 0.00 -0.34 0.00 0.00 43.02 39.52 3gtj s PHE 1086CO 0.00 -0.14 0.73 0.12 -1.46 0.00 0.00 175.22 174.48 3gtj s PHE 1087N 0.79 -1.07 0.01 10.12 5.36 -1.19 -2.06 117.98 129.95 3gtj s PHE 1087Ca 0.52 2.03 -0.11 0.00 -0.96 0.00 0.00 56.93 58.41 3gtj s PHE 1087Cb -0.23 0.64 0.04 0.00 -0.34 0.00 0.00 43.02 43.13 3gtj s PHE 1087CO 0.29 -0.53 0.48 0.41 -1.46 0.00 0.00 175.22 174.41 3gtj n GLY 1088N 4.60 0.62 3.71 13.12 0.00 -0.28 -4.90 105.19 122.06 3gtj n GLY 1088Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 3gtj n GLY 1088CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gtj s PRO 1089N -2.01 4.44 -0.21 1.61 0.02 -1.26 -0.06 135.00 137.53 3gtj s PRO 1089Ca 0.11 1.68 -0.04 0.00 0.02 0.00 0.00 61.00 62.77 3gtj s PRO 1089Cb -0.01 -3.41 0.11 0.00 0.02 0.00 0.00 34.50 31.21 3gtj s PRO 1089CO 0.00 -0.25 0.34 0.99 -0.33 0.00 0.00 177.00 177.76 3gtj s THR 1090N 1.28 -0.54 -0.07 0.99 2.01 -0.78 -4.31 115.64 114.22 3gtj s THR 1090Ca 0.57 0.01 -0.35 0.00 0.31 0.00 0.00 61.69 62.22 3gtj s THR 1090Cb -0.27 -0.72 -0.13 0.00 0.01 0.00 0.00 72.50 71.39 3gtj s THR 1090CO 0.27 -0.07 1.76 0.00 -0.69 0.00 0.00 174.62 175.89 3gtj n TYR 1091N 5.36 2.21 -4.99 4.92 9.36 -1.26 -3.95 117.16 128.80 3gtj n TYR 1091Ca -0.05 0.20 -0.28 0.00 3.32 0.00 0.00 57.90 61.09 3gtj n TYR 1091Cb 0.50 -2.58 -0.16 0.00 -0.63 0.00 0.00 39.34 36.47 3gtj n TYR 1091CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3gtj s TYR 1092N 3.13 1.91 0.32 2.98 1.51 -1.11 -4.27 117.35 121.82 3gtj s TYR 1092Ca 0.91 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 3gtj s TYR 1092Cb -0.78 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3gtj s TYR 1092CO 0.52 -0.13 0.56 -0.65 -1.11 0.00 0.00 175.55 174.73 3gtj s GLN 1093N -0.18 3.56 -0.61 -0.62 -0.21 -1.19 -2.14 119.66 118.27 3gtj s GLN 1093Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.28 3gtj s GLN 1093Cb -0.11 -2.64 0.15 0.00 1.00 0.00 0.00 33.01 31.41 3gtj s GLN 1093CO 0.02 0.16 0.38 0.50 -2.12 0.00 0.00 175.29 174.23 3gtj s ARG 1094N -3.94 2.27 1.12 2.91 3.52 -1.26 -4.45 118.95 119.12 3gtj s ARG 1094Ca 0.42 -2.88 -0.15 0.00 -0.13 0.00 0.00 55.73 53.00 3gtj s ARG 1094Cb -0.10 -3.44 0.19 0.00 -1.56 0.00 0.00 34.95 30.04 3gtj s ARG 1094CO 0.34 -1.18 0.59 1.28 -0.81 0.00 0.00 175.30 175.51 3gtj n LEU 1095N 2.75 -1.35 0.00 -0.88 4.77 -1.23 -3.94 117.00 117.12 3gtj n LEU 1095Ca 0.11 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3gtj n LEU 1095Cb 0.34 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3gtj n LEU 1095CO 0.32 -3.17 0.00 -2.11 -1.33 0.00 0.00 177.39 171.10 3gtj n ARG 1096N -3.54 0.54 -1.75 3.23 1.85 -0.38 -4.77 116.66 111.85 3gtj n ARG 1096Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.87 3gtj n ARG 1096Cb 0.57 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.97 3gtj n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3gtj n HIS 1097N -0.86 -0.91 -4.66 2.89 8.25 -1.26 -4.52 115.22 114.15 3gtj n HIS 1097Ca 0.00 0.47 -0.23 0.00 -0.26 0.00 0.00 57.72 57.70 3gtj n HIS 1097Cb 0.00 -2.03 -0.15 0.00 1.12 0.00 0.00 29.99 28.92 3gtj n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3gtj s MET 1098N -0.62 1.31 0.27 -0.41 -1.94 -1.26 -2.50 119.30 114.15 3gtj s MET 1098Ca -0.03 -0.50 -0.07 0.00 -1.71 0.00 0.00 55.69 53.38 3gtj s MET 1098Cb 0.00 -1.21 0.48 0.00 2.01 0.00 0.00 34.83 36.11 3gtj s MET 1098CO 0.17 0.25 1.58 -0.39 -0.01 0.00 0.00 175.02 176.62 3gtj h VAL 1099N 5.04 0.09 0.00 -6.03 -1.51 -1.96 0.41 116.25 112.30 3gtj h VAL 1099Ca -0.34 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3gtj h VAL 1099Cb 1.17 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3gtj h VAL 1099CO 0.48 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.30 3gtj n ASP 1100N -5.54 0.00 -0.77 4.19 8.00 -1.26 0.41 116.55 121.57 3gtj n ASP 1100Ca 0.16 0.42 0.09 0.00 0.71 0.00 0.00 54.79 56.17 3gtj n ASP 1100Cb 0.52 -0.44 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 3gtj n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gtj n ASP 1101N -1.44 2.66 -0.06 -2.24 8.00 0.14 -4.40 116.55 119.21 3gtj n ASP 1101Ca 0.01 -1.79 -0.09 0.00 0.71 0.00 0.00 54.79 53.64 3gtj n ASP 1101Cb 0.04 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3gtj n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtj n LYS 1102N 1.04 0.62 -1.56 -1.24 4.76 0.17 -4.97 118.16 116.98 3gtj n LYS 1102Ca 0.12 0.06 -0.49 0.00 -2.87 0.00 0.00 58.31 55.13 3gtj n LYS 1102Cb 0.46 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.35 3gtj n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gtj n ILE 1103N -2.81 1.00 -3.63 -0.18 5.41 -0.25 -4.99 119.36 113.90 3gtj n ILE 1103Ca -0.22 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.16 3gtj n ILE 1103Cb 0.76 -0.71 -0.07 0.00 -0.71 0.00 0.00 39.64 38.91 3gtj n ILE 1103CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3gtj s HIS 1104N -0.31 -0.64 0.07 1.39 5.65 -1.26 -5.02 115.29 115.17 3gtj s HIS 1104Ca 0.73 1.56 -0.07 0.00 0.25 0.00 0.00 55.06 57.53 3gtj s HIS 1104Cb -0.88 0.31 -0.01 0.00 -1.18 0.00 0.00 32.58 30.82 3gtj s HIS 1104CO 0.53 -0.31 0.13 0.00 -0.65 0.00 0.00 174.74 174.45 3gtj s ALA 1105N 0.31 -0.06 -0.24 1.58 0.00 -1.26 -5.17 121.76 116.92 3gtj s ALA 1105Ca 0.02 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 3gtj s ALA 1105Cb -0.05 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.55 3gtj s ALA 1105CO -0.03 -0.45 0.62 0.50 0.00 0.00 0.00 175.76 176.40 3gtj s ARG 1106N -3.70 0.67 -0.51 0.00 3.52 -1.26 -4.94 118.95 112.72 3gtj s ARG 1106Ca 0.04 1.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.68 3gtj s ARG 1106Cb 0.05 0.20 0.16 0.00 -1.56 0.00 0.00 34.95 33.80 3gtj s ARG 1106CO -0.10 -0.13 0.35 0.00 -0.81 0.00 0.00 175.30 174.61 3gtj s ALA 1107N 1.06 2.38 0.00 6.12 0.00 -1.26 -5.01 121.76 125.05 3gtj s ALA 1107Ca -0.06 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.00 3gtj s ALA 1107Cb -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3gtj s ALA 1107CO -0.10 -2.05 0.00 -2.13 0.00 0.00 0.00 175.76 171.48 3gtj n ARG 1108N 2.87 0.00 0.00 0.00 0.63 -1.26 -5.11 116.66 113.78 3gtj n ARG 1108Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 3gtj n ARG 1108Cb 0.39 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.30 3gtj n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtj n GLY 1109N -1.17 0.47 3.60 5.14 0.00 -1.26 -5.05 105.19 106.93 3gtj n GLY 1109Ca 0.00 -1.10 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 3gtj n GLY 1109CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gtj n PRO 1110N 0.00 1.93 -3.98 1.61 -0.02 -1.26 -5.02 135.00 128.26 3gtj n PRO 1110Ca 0.00 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 3gtj n PRO 1110Cb 0.00 -2.80 -0.02 0.00 -0.02 0.00 0.00 33.50 30.66 3gtj n PRO 1110CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtj s MET 1111N 5.25 3.41 0.81 -0.52 -1.94 -1.26 -2.30 119.30 122.75 3gtj s MET 1111Ca 0.99 -0.77 -0.12 0.00 -1.71 0.00 0.00 55.69 54.08 3gtj s MET 1111Cb -0.61 -2.88 0.09 0.00 2.01 0.00 0.00 34.83 33.45 3gtj s MET 1111CO 0.46 0.43 1.17 -0.65 -0.01 0.00 0.00 175.02 176.43 3gtj s GLN 1112N -3.93 1.85 -0.15 2.03 -0.21 0.22 -4.67 119.66 114.81 3gtj s GLN 1112Ca 0.34 0.01 -0.28 0.00 0.02 0.00 0.00 55.36 55.45 3gtj s GLN 1112Cb -0.09 -1.97 -0.25 0.00 1.00 0.00 0.00 33.01 31.70 3gtj s GLN 1112CO 0.29 -1.64 0.70 0.28 -2.12 0.00 0.00 175.29 172.80 3gtj h VAL 1113N -1.06 1.67 0.00 1.09 2.07 -1.98 -3.26 116.25 114.77 3gtj h VAL 1113Ca -0.46 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 64.69 3gtj h VAL 1113Cb 1.32 3.24 -0.01 0.00 -1.52 0.00 0.00 31.29 34.32 3gtj h VAL 1113CO 0.62 0.58 -0.67 -0.11 0.02 0.00 0.00 177.57 178.01 3gtj n LEU 1114N -4.57 1.82 0.10 2.57 7.94 -1.26 -4.48 117.00 119.13 3gtj n LEU 1114Ca -0.13 0.59 -0.01 0.00 -1.11 0.00 0.00 56.01 55.35 3gtj n LEU 1114Cb 0.52 -0.88 0.25 0.00 0.53 0.00 0.00 43.42 43.83 3gtj n LEU 1114CO 0.33 -0.33 0.67 0.74 -1.11 0.00 0.00 177.39 177.68 3gtj h THR 1115N -1.00 1.30 -1.48 1.96 2.02 -1.99 -3.47 112.91 110.25 3gtj h THR 1115Ca -0.07 -1.46 -0.38 0.00 0.77 0.00 0.00 66.41 65.27 3gtj h THR 1115Cb 0.67 1.66 -0.11 0.00 -1.74 0.00 0.00 68.15 68.63 3gtj h THR 1115CO -0.04 0.43 -0.39 0.54 0.37 0.00 0.00 175.52 176.43 3gtj n ARG 1116N -4.05 -1.38 -2.71 6.66 1.74 -1.23 -4.24 116.66 111.45 3gtj n ARG 1116Ca -0.01 1.09 -0.24 0.00 -0.77 0.00 0.00 57.85 57.91 3gtj n ARG 1116Cb 0.46 -5.47 0.02 0.00 -1.02 0.00 0.00 32.46 26.45 3gtj n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3gtj s GLN 1117N -4.03 2.95 0.40 5.56 -0.21 -1.26 -4.64 119.66 118.43 3gtj s GLN 1117Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 55.36 54.79 3gtj s GLN 1117Cb 0.00 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.48 3gtj s GLN 1117CO 0.00 -0.49 1.45 -2.14 -2.12 0.00 0.00 175.29 171.99 3gtj s PRO 1118N -4.76 3.98 0.58 2.91 0.02 -1.26 0.70 135.00 137.17 3gtj s PRO 1118Ca 0.51 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.86 3gtj s PRO 1118Cb -0.10 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 3gtj s PRO 1118CO 0.41 -0.61 1.06 0.14 -0.33 0.00 0.00 177.00 177.67 3gtj s VAL 1119N -1.15 3.71 0.62 3.83 -7.23 -0.97 -4.69 120.40 114.52 3gtj s VAL 1119Ca 0.55 0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 61.53 3gtj s VAL 1119Cb -0.45 -3.36 0.02 0.00 0.56 0.00 0.00 36.38 33.15 3gtj s VAL 1119CO 0.60 -0.42 0.94 -0.70 -0.31 0.00 0.00 175.10 175.21 3gtj s GLU 1120N -3.88 2.76 0.00 4.82 2.12 -1.26 -2.79 118.70 120.46 3gtj s GLU 1120Ca 0.65 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.95 3gtj s GLU 1120Cb -0.17 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 31.99 3gtj s GLU 1120CO 0.34 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 3gtj n GLY 1121N -2.69 -2.08 0.33 -1.50 0.00 -1.26 -4.55 105.19 93.44 3gtj n GLY 1121Ca 0.05 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.68 3gtj n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gtj n ARG 1122N -1.50 1.30 -0.54 1.61 1.85 -1.26 -1.62 116.66 116.50 3gtj n ARG 1122Ca 0.00 -0.68 0.08 0.00 -1.00 0.00 0.00 57.85 56.25 3gtj n ARG 1122Cb 0.00 -1.38 0.31 0.00 -1.05 0.00 0.00 32.46 30.34 3gtj n ARG 1122CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3gtj n SER 1123N -0.42 4.20 -0.01 2.89 3.41 -1.26 -2.90 113.62 119.53 3gtj n SER 1123Ca 0.07 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 3gtj n SER 1123Cb 0.38 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3gtj n SER 1123CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtj n ARG 1124N 0.98 0.83 -3.48 4.33 3.00 -1.26 -5.04 116.66 116.03 3gtj n ARG 1124Ca 0.23 -0.80 -0.22 0.00 -0.01 0.00 0.00 57.85 57.05 3gtj n ARG 1124Cb 0.79 -0.64 0.06 0.00 0.00 0.00 0.00 32.46 32.66 3gtj n ARG 1124CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3gtj n ASP 1125N -0.15 -5.23 -2.62 0.55 2.03 -1.14 -4.81 116.55 105.19 3gtj n ASP 1125Ca 0.00 -0.84 -0.04 0.00 0.52 0.00 0.00 54.79 54.43 3gtj n ASP 1125Cb 0.44 -4.36 0.01 0.00 -0.72 0.00 0.00 41.12 36.49 3gtj n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtj n GLY 1126N -1.44 2.20 3.90 0.27 0.00 -0.64 -4.46 105.19 105.02 3gtj n GLY 1126Ca -0.12 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 3gtj n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gtj s GLY 1127N -2.44 1.72 0.28 -0.02 0.00 -1.12 -4.69 107.32 101.05 3gtj s GLY 1127Ca 0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 3gtj s GLY 1127CO 0.07 -1.51 0.51 1.08 0.00 0.00 0.00 173.10 173.25 3gtj s LEU 1128N -4.07 4.09 -0.08 0.66 1.43 -1.26 -4.75 118.68 114.71 3gtj s LEU 1128Ca 0.43 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.83 3gtj s LEU 1128Cb -0.07 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 3gtj s LEU 1128CO 0.28 -0.17 0.93 -0.60 0.23 0.00 0.00 176.35 177.02 3gtj s ARG 1129N -3.63 4.45 -0.97 1.70 3.52 -1.26 -5.00 118.95 117.75 3gtj s ARG 1129Ca 0.42 1.27 -0.01 0.00 -0.13 0.00 0.00 55.73 57.28 3gtj s ARG 1129Cb -0.11 -3.51 0.31 0.00 -1.56 0.00 0.00 34.95 30.08 3gtj s ARG 1129CO 0.31 -0.18 1.48 0.34 -0.81 0.00 0.00 175.30 176.43 3gtj n PHE 1130N 4.53 2.71 -1.37 5.12 7.35 -1.26 -5.06 117.46 129.48 3gtj n PHE 1130Ca 0.06 -2.86 -0.33 0.00 -0.76 0.00 0.00 57.45 53.56 3gtj n PHE 1130Cb 0.50 -1.09 0.10 0.00 0.35 0.00 0.00 39.48 39.33 3gtj n PHE 1130CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3gtj s GLY 1131N -1.87 2.17 0.33 7.13 0.00 -1.26 -4.55 107.32 109.28 3gtj s GLY 1131Ca 0.36 0.74 0.11 0.00 0.00 0.00 0.00 44.72 45.93 3gtj s GLY 1131CO -0.00 1.13 1.62 0.83 0.00 0.00 0.00 173.10 176.68 3gtj h GLU 1132N -0.52 0.15 -0.61 2.90 5.08 -1.99 1.31 114.58 120.91 3gtj h GLU 1132Ca -0.47 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 3gtj h GLU 1132Cb 1.28 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3gtj h GLU 1132CO 0.49 0.10 0.44 1.98 -1.00 0.00 0.00 179.01 181.02 3gtj h MET 1133N 0.15 0.00 0.00 2.33 4.05 -2.01 0.31 114.93 119.77 3gtj h MET 1133Ca 0.70 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.92 3gtj h MET 1133Cb 1.62 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.39 3gtj h MET 1133CO -0.72 0.00 -1.15 0.93 0.23 0.00 0.00 176.91 176.20 3gtj h GLU 1134N 0.00 0.00 -0.53 0.39 3.07 0.14 -3.29 114.58 114.36 3gtj h GLU 1134Ca 0.29 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.16 3gtj h GLU 1134Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 3gtj h GLU 1134CO -0.00 0.65 0.35 -0.09 -1.40 0.00 0.00 179.01 178.51 3gtj h ARG 1135N 0.00 0.68 0.22 2.33 2.43 0.00 -2.91 114.38 117.14 3gtj h ARG 1135Ca -0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3gtj h ARG 1135Cb 1.72 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.10 3gtj h ARG 1135CO 0.09 0.45 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.24 3gtj h ASP 1136N 0.70 -0.91 -1.43 -3.80 3.32 -1.14 -1.38 116.42 111.77 3gtj h ASP 1136Ca 0.20 0.08 0.42 0.00 0.02 0.00 0.00 57.03 57.75 3gtj h ASP 1136Cb -0.06 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3gtj h ASP 1136CO -0.05 -0.39 1.01 0.00 -1.72 0.00 0.00 179.24 178.09 3gtj h MET 1138N 0.05 0.07 -0.63 0.00 2.86 -1.07 -3.17 114.93 113.04 3gtj h MET 1138Ca 0.72 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 58.40 3gtj h MET 1138Cb 2.70 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 34.33 3gtj h MET 1138CO -0.10 0.75 0.42 0.82 1.06 0.00 0.00 176.91 179.87 3gtj h ILE 1139N -0.59 0.90 -0.38 -1.22 2.04 -0.23 -1.22 117.51 116.81 3gtj h ILE 1139Ca -0.01 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.75 3gtj h ILE 1139Cb 0.77 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3gtj h ILE 1139CO 0.02 0.08 0.12 0.00 0.00 0.00 0.00 178.15 178.37 3gtj h ALA 1140N 1.68 0.43 0.00 1.87 0.00 -1.36 -0.49 119.26 121.39 3gtj h ALA 1140Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3gtj h ALA 1140Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gtj h ALA 1140CO -0.09 -0.28 0.00 0.72 0.00 0.00 0.00 179.25 179.61 3gtj n HIS 1141N -5.03 0.80 -1.05 0.00 8.25 -0.50 -4.87 115.22 112.82 3gtj n HIS 1141Ca 0.02 0.34 -0.02 0.00 -0.26 0.00 0.00 57.72 57.80 3gtj n HIS 1141Cb 0.14 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.21 3gtj n HIS 1141CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtj n GLY 1142N -0.31 0.41 3.56 -1.41 0.00 -0.19 -4.94 105.19 102.30 3gtj n GLY 1142Ca 0.01 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3gtj n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtj s ALA 1143N -1.67 2.64 -0.22 4.61 0.00 -1.21 -4.85 121.76 121.07 3gtj s ALA 1143Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 3gtj s ALA 1143Cb 0.00 -4.23 -0.18 0.00 0.00 0.00 0.00 23.12 18.71 3gtj s ALA 1143CO 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 175.76 172.45 3gtj n ALA 1144N 10.13 0.99 0.03 0.00 0.00 -1.26 -4.00 120.51 126.41 3gtj n ALA 1144Ca 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.80 3gtj n ALA 1144Cb 0.50 -0.32 0.37 0.00 0.00 0.00 0.00 19.45 20.00 3gtj n ALA 1144CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gtj h SER 1145N -0.74 0.41 -0.79 0.00 0.87 -2.00 -1.38 113.55 109.92 3gtj h SER 1145Ca -0.50 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 59.97 3gtj h SER 1145Cb 1.57 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 3gtj h SER 1145CO -0.22 0.42 0.32 0.15 -0.53 0.00 0.00 176.83 176.97 3gtj h PHE 1146N 0.45 1.20 0.00 2.24 3.57 -1.98 -2.52 116.94 119.90 3gtj h PHE 1146Ca 0.11 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3gtj h PHE 1146Cb 0.18 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3gtj h PHE 1146CO 0.01 0.91 -0.12 1.25 -2.23 0.00 0.00 178.31 178.12 3gtj h LEU 1147N 1.15 0.00 -0.88 0.59 6.46 -1.53 -2.07 115.31 119.03 3gtj h LEU 1147Ca 0.27 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.91 3gtj h LEU 1147Cb 0.21 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 3gtj h LEU 1147CO -0.02 0.12 -0.55 0.50 -0.62 0.00 0.00 178.44 177.87 3gtj h LYS 1148N 0.00 0.00 -0.05 1.25 3.64 -1.09 -3.28 116.57 117.04 3gtj h LYS 1148Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3gtj h LYS 1148Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3gtj h LYS 1148CO 0.02 0.55 -0.15 1.49 -2.27 0.00 0.00 179.45 179.08 3gtj h GLU 1149N 0.00 0.19 -0.31 1.90 4.81 -1.20 -2.51 114.58 117.46 3gtj h GLU 1149Ca -0.01 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3gtj h GLU 1149Cb 0.99 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gtj h GLU 1149CO 0.07 0.76 0.00 0.54 -0.73 0.00 0.00 179.01 179.65 3gtj n ARG 1150N -4.61 0.42 0.00 1.92 5.12 -0.80 -1.33 116.66 117.38 3gtj n ARG 1150Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3gtj n ARG 1150Cb 0.40 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 3gtj n ARG 1150CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3gtj n LEU 1151N 0.09 0.00 0.00 0.55 4.32 -1.15 -4.92 117.00 115.90 3gtj n LEU 1151Ca 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 3gtj n LEU 1151Cb 0.08 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 3gtj n LEU 1151CO 0.00 0.18 0.00 0.23 -1.22 0.00 0.00 177.39 176.58 3gtj n MET 1152N 0.00 0.00 0.02 3.23 2.81 -0.44 -4.35 117.12 118.38 3gtj n MET 1152Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 3gtj n MET 1152Cb 0.50 -0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.95 3gtj n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3gtj h GLU 1153N 0.00 -0.33 -7.47 0.03 3.07 -1.66 -3.01 114.58 105.20 3gtj h GLU 1153Ca 0.00 0.02 -0.48 0.00 -0.50 0.00 0.00 59.36 58.40 3gtj h GLU 1153Cb 0.00 0.07 0.11 0.00 -0.84 0.00 0.00 28.75 28.09 3gtj h GLU 1153CO 0.00 -0.22 0.36 0.00 -1.40 0.00 0.00 179.01 177.75 3gtj s ALA 1154N -4.68 2.37 0.00 3.43 0.00 -1.17 -4.80 121.76 116.92 3gtj s ALA 1154Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3gtj s ALA 1154Cb 0.04 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3gtj s ALA 1154CO 0.32 -1.68 0.00 0.45 0.00 0.00 0.00 175.76 174.84 3gtj n SER 1155N -3.38 0.00 -0.07 0.00 2.88 -1.26 -4.35 113.62 107.44 3gtj n SER 1155Ca 0.07 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 3gtj n SER 1155Cb 0.58 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.89 3gtj n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gtj n ASP 1156N 7.68 0.54 -4.25 -3.46 10.43 -1.24 -4.77 116.55 121.48 3gtj n ASP 1156Ca 0.00 0.00 -0.52 0.00 2.57 0.00 0.00 54.79 56.84 3gtj n ASP 1156Cb 0.00 1.16 -0.06 0.00 1.84 0.00 0.00 41.12 44.06 3gtj n ASP 1156CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtj n ALA 1157N -2.56 -3.24 -3.08 2.24 0.00 -1.14 -2.41 120.51 110.32 3gtj n ALA 1157Ca -0.24 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 3gtj n ALA 1157Cb 0.96 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 3gtj n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gtj s PHE 1158N -0.35 0.07 -0.12 0.00 5.36 0.36 -4.76 117.98 118.54 3gtj s PHE 1158Ca 0.77 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.54 3gtj s PHE 1158Cb -1.09 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.50 3gtj s PHE 1158CO 0.54 -0.28 -0.08 0.50 -1.46 0.00 0.00 175.22 174.44 3gtj s ARG 1159N -1.45 3.31 0.15 10.12 3.00 -1.26 -2.11 118.95 130.70 3gtj s ARG 1159Ca -0.15 -0.59 0.02 0.00 -1.00 0.00 0.00 55.73 54.02 3gtj s ARG 1159Cb -0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 34.95 32.11 3gtj s ARG 1159CO 0.01 0.35 -0.03 0.08 0.00 0.00 0.00 175.30 175.72 3gtj s VAL 1160N 0.02 0.73 -0.11 7.11 1.01 -1.18 -5.03 120.40 122.95 3gtj s VAL 1160Ca -0.02 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 59.97 3gtj s VAL 1160Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3gtj s VAL 1160CO 0.03 -0.62 -0.05 -1.00 0.00 0.00 0.00 175.10 173.46 3gtj s HIS 1161N -3.62 3.00 0.49 5.22 3.76 -1.26 -2.53 115.29 120.36 3gtj s HIS 1161Ca 0.19 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 3gtj s HIS 1161Cb 0.05 -1.84 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 3gtj s HIS 1161CO 0.01 0.16 0.07 0.42 -0.85 0.00 0.00 174.74 174.54 3gtj s ILE 1162N -0.23 1.42 -0.01 0.60 -1.09 -0.59 -4.30 121.20 117.01 3gtj s ILE 1162Ca 0.04 -1.92 -0.02 0.00 -2.23 0.00 0.00 60.65 56.52 3gtj s ILE 1162Cb -0.13 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3gtj s ILE 1162CO 0.02 0.00 0.17 0.00 -1.23 0.00 0.00 174.94 173.91 3gtj h GLY 1164N 3.83 0.35 0.00 0.00 0.00 -1.07 -3.35 103.07 102.83 3gtj h GLY 1164Ca -0.49 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3gtj h GLY 1164CO 0.69 0.28 0.00 1.39 0.00 0.00 0.00 176.54 178.89 3gtj n ILE 1165N -4.07 0.00 0.02 2.60 2.08 -1.26 -4.86 119.36 113.86 3gtj n ILE 1165Ca -0.01 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.19 3gtj n ILE 1165Cb 0.44 -0.71 -0.05 0.00 -0.75 0.00 0.00 39.64 38.57 3gtj n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtj n GLY 1167N -1.14 1.17 0.00 0.00 0.00 -1.26 -4.40 105.19 99.56 3gtj n GLY 1167Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3gtj n GLY 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 1168N 0.00 0.00 -1.65 0.99 4.77 -1.26 -1.32 117.00 118.53 3gtj n LEU 1168Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3gtj n LEU 1168Cb 0.09 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.37 3gtj n LEU 1168CO 0.00 -0.44 0.95 0.23 -1.33 0.00 0.00 177.39 176.79 3gtj n MET 1169N -0.89 2.04 0.20 3.23 2.81 -1.26 -3.50 117.12 119.76 3gtj n MET 1169Ca 0.00 -3.14 0.07 0.00 -1.81 0.00 0.00 57.70 52.82 3gtj n MET 1169Cb 0.00 -1.98 0.41 0.00 -0.71 0.00 0.00 33.22 30.94 3gtj n MET 1169CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3gtj h THR 1170N 1.02 0.86 -1.40 2.03 2.02 -1.97 -3.46 112.91 112.01 3gtj h THR 1170Ca 0.41 -1.29 -0.74 0.00 0.77 0.00 0.00 66.41 65.56 3gtj h THR 1170Cb 2.14 1.78 0.04 0.00 -1.74 0.00 0.00 68.15 70.37 3gtj h THR 1170CO 0.72 0.31 0.47 0.52 0.37 0.00 0.00 175.52 177.92 3gtj n VAL 1171N -3.62 0.06 -2.74 3.16 0.31 -1.26 -4.84 118.33 109.40 3gtj n VAL 1171Ca -0.01 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 3gtj n VAL 1171Cb 0.44 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 3gtj n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtj s ILE 1172N 1.28 4.12 -1.12 2.52 1.01 -1.14 -4.89 121.20 122.98 3gtj s ILE 1172Ca 0.91 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.15 3gtj s ILE 1172Cb -1.12 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 36.52 3gtj s ILE 1172CO 0.57 -1.62 1.87 0.00 0.00 0.00 0.00 174.94 175.76 3gtj s ALA 1173N 4.61 2.07 -0.75 9.38 0.00 -1.26 -4.31 121.76 131.49 3gtj s ALA 1173Ca 0.28 -2.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.08 3gtj s ALA 1173Cb -0.12 -4.63 0.15 0.00 0.00 0.00 0.00 23.12 18.52 3gtj s ALA 1173CO 0.10 -4.71 2.47 1.63 0.00 0.00 0.00 175.76 175.25 3gtj n LYS 1174N 8.48 3.15 -0.93 0.00 5.02 -1.11 -5.02 118.16 127.75 3gtj n LYS 1174Ca 0.43 -2.99 -0.32 0.00 -2.02 0.00 0.00 58.31 53.41 3gtj n LYS 1174Cb 0.47 -2.29 0.14 0.00 -0.02 0.00 0.00 35.03 33.33 3gtj n LYS 1174CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gtj s LEU 1175N -2.74 2.99 0.00 -0.35 0.20 -1.26 -3.28 118.68 114.24 3gtj s LEU 1175Ca 0.55 2.21 0.00 0.00 0.69 0.00 0.00 54.13 57.58 3gtj s LEU 1175Cb 0.34 -4.57 0.00 0.00 -0.43 0.00 0.00 46.19 41.53 3gtj s LEU 1175CO -0.23 -2.80 0.00 -3.20 -0.29 0.00 0.00 176.35 169.83 3gtj n ASN 1176N -3.78 -1.59 0.00 3.68 2.85 -1.26 -4.78 115.26 110.38 3gtj n ASN 1176Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3gtj n ASN 1176Cb 0.52 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.27 3gtj n ASN 1176CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3gtj n HIS 1177N -2.53 0.00 -0.89 1.20 8.25 -1.20 -5.03 115.22 115.02 3gtj n HIS 1177Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gtj n HIS 1177Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gtj n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtj n ASN 1178N 0.00 -4.13 -4.66 0.41 5.03 -1.26 -4.97 115.26 105.69 3gtj n ASN 1178Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 3gtj n ASN 1178Cb 0.09 -2.85 -0.06 0.00 -1.02 0.00 0.00 39.78 35.94 3gtj n ASN 1178CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gtj s GLN 1179N -1.50 4.20 0.00 3.52 -0.21 -1.26 -4.97 119.66 119.44 3gtj s GLN 1179Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.96 3gtj s GLN 1179Cb 0.00 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.43 3gtj s GLN 1179CO 0.00 -0.23 0.00 1.19 -2.12 0.00 0.00 175.29 174.13 3gtj n PHE 1180N 5.04 0.00 -0.52 0.91 3.01 -1.26 -2.77 117.46 121.87 3gtj n PHE 1180Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.51 3gtj n PHE 1180Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 3gtj n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gtj n GLU 1181N -0.13 -1.15 -3.37 -1.08 1.02 -1.25 -4.07 120.64 110.61 3gtj n GLU 1181Ca 0.00 0.89 -0.16 0.00 -0.02 0.00 0.00 57.16 57.87 3gtj n GLU 1181Cb 0.00 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 3gtj n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtj n LYS 1183N 4.84 1.49 0.00 0.00 4.81 -1.26 -2.03 118.16 126.00 3gtj n LYS 1183Ca 0.04 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3gtj n LYS 1183Cb 0.46 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3gtj n LYS 1183CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtj n GLY 1184N 3.11 2.23 0.00 3.14 0.00 -1.26 -4.77 105.19 107.64 3gtj n GLY 1184Ca 0.19 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3gtj n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtj n ASP 1186N -1.30 -5.32 -4.69 0.00 8.00 -0.86 -4.97 116.55 107.41 3gtj n ASP 1186Ca 0.01 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 3gtj n ASP 1186Cb 0.15 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 37.70 3gtj n ASP 1186CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gtj s ASN 1187N -2.37 6.75 0.00 -2.24 3.84 -1.23 -4.86 114.94 114.83 3gtj s ASN 1187Ca 0.00 2.27 0.00 0.00 0.21 0.00 0.00 52.86 55.34 3gtj s ASN 1187Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3gtj s ASN 1187CO 0.00 -0.78 0.00 0.29 -2.79 0.00 0.00 177.10 173.82 3gtj n LYS 1188N 5.39 2.34 -0.09 0.43 5.02 -1.26 -1.38 118.16 128.61 3gtj n LYS 1188Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 3gtj n LYS 1188Cb 0.42 -0.99 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 3gtj n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtj n ILE 1189N -2.19 0.98 -2.20 -0.18 -0.00 -1.26 -4.44 119.36 110.07 3gtj n ILE 1189Ca 0.00 -0.38 -0.41 0.00 -0.00 0.00 0.00 62.75 61.96 3gtj n ILE 1189Cb 0.49 -1.10 -0.01 0.00 -0.00 0.00 0.00 39.64 39.03 3gtj n ILE 1189CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3gtj n ASP 1190N -2.99 4.33 -3.98 4.38 10.43 -1.26 -4.92 116.55 122.54 3gtj n ASP 1190Ca -0.30 -2.86 -0.18 0.00 2.57 0.00 0.00 54.79 54.01 3gtj n ASP 1190Cb 0.83 -1.69 -0.15 0.00 1.84 0.00 0.00 41.12 41.95 3gtj n ASP 1190CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gtj s ILE 1191N 4.57 0.61 0.03 0.53 1.01 -1.26 -0.33 121.20 126.36 3gtj s ILE 1191Ca 0.53 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.96 3gtj s ILE 1191Cb 0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 3gtj s ILE 1191CO 0.04 0.19 -0.18 -0.31 0.00 0.00 0.00 174.94 174.67 3gtj s TYR 1192N 0.11 1.62 -0.14 3.97 1.51 -1.19 -4.98 117.35 118.25 3gtj s TYR 1192Ca -0.01 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 55.58 3gtj s TYR 1192Cb -0.06 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 3gtj s TYR 1192CO -0.00 0.06 0.22 -1.14 -1.11 0.00 0.00 175.55 173.58 3gtj s GLN 1193N -1.07 3.99 0.21 -0.62 0.74 -1.26 -1.54 119.66 120.12 3gtj s GLN 1193Ca 0.06 -0.02 0.07 0.00 0.05 0.00 0.00 55.36 55.52 3gtj s GLN 1193Cb -0.08 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 3gtj s GLN 1193CO 0.01 0.44 -0.12 0.96 -0.55 0.00 0.00 175.29 176.03 3gtj s ILE 1194N -0.11 1.66 -0.26 -2.34 -0.00 -1.05 -5.03 121.20 114.08 3gtj s ILE 1194Ca 0.14 -2.18 0.03 0.00 -0.00 0.00 0.00 60.65 58.64 3gtj s ILE 1194Cb -0.13 -2.10 0.06 0.00 -0.00 0.00 0.00 42.46 40.29 3gtj s ILE 1194CO 0.03 -0.55 -0.11 -1.00 -0.00 0.00 0.00 174.94 173.31 3gtj s HIS 1195N -3.02 3.26 0.08 1.37 3.76 -1.26 -3.09 115.29 116.38 3gtj s HIS 1195Ca 0.23 -2.31 0.02 0.00 -0.15 0.00 0.00 55.06 52.85 3gtj s HIS 1195Cb 0.00 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 3gtj s HIS 1195CO 0.07 -0.88 -0.07 0.96 -0.85 0.00 0.00 174.74 173.98 3gtj s ILE 1196N 1.11 0.63 0.55 0.60 -0.00 -0.90 -4.95 121.20 118.24 3gtj s ILE 1196Ca -0.09 -1.65 -0.20 0.00 -0.00 0.00 0.00 60.65 58.72 3gtj s ILE 1196Cb -0.20 -1.32 -0.06 0.00 -0.00 0.00 0.00 42.46 40.88 3gtj s ILE 1196CO -0.05 -0.71 0.99 -2.65 -0.00 0.00 0.00 174.94 172.51 3gtj n PRO 1197N 0.46 1.06 -0.19 0.37 -0.02 -1.26 -0.49 135.00 134.93 3gtj n PRO 1197Ca -0.16 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 3gtj n PRO 1197Cb 0.59 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 3gtj n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3gtj h TYR 1198N 0.80 1.10 -1.19 6.00 3.20 -1.77 -2.52 116.97 122.59 3gtj h TYR 1198Ca -0.48 -0.19 0.37 0.00 3.14 0.00 0.00 58.73 61.57 3gtj h TYR 1198Cb 1.35 -0.29 -0.12 0.00 1.54 0.00 0.00 36.73 39.22 3gtj h TYR 1198CO 0.39 0.99 0.76 0.00 -1.64 0.00 0.00 178.16 178.66 3gtj h ALA 1199N 1.04 2.50 0.45 1.82 0.00 -1.86 -0.46 119.26 122.75 3gtj h ALA 1199Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3gtj h ALA 1199Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3gtj h ALA 1199CO 0.03 -1.05 -0.22 0.00 0.00 0.00 0.00 179.25 178.02 3gtj h ALA 1200N 1.63 -0.73 -1.28 0.00 0.00 -1.81 -1.61 119.26 115.45 3gtj h ALA 1200Ca 0.73 -0.13 0.37 0.00 0.00 0.00 0.00 54.91 55.88 3gtj h ALA 1200Cb 2.12 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 20.08 3gtj h ALA 1200CO -0.39 -0.69 0.90 -0.22 0.00 0.00 0.00 179.25 178.85 3gtj h LYS 1201N -0.94 0.07 0.49 0.00 3.11 -1.29 1.03 116.57 119.04 3gtj h LYS 1201Ca -0.06 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 3gtj h LYS 1201Cb 0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 3gtj h LYS 1201CO 0.10 0.04 -0.24 1.25 -2.81 0.00 0.00 179.45 177.80 3gtj h LEU 1202N 0.07 -0.56 -0.23 5.20 7.12 -1.08 -2.40 115.31 123.43 3gtj h LEU 1202Ca 0.64 -0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.63 3gtj h LEU 1202Cb 2.38 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 42.58 3gtj h LEU 1202CO -0.09 -0.21 -0.36 0.25 -0.13 0.00 0.00 178.44 177.91 3gtj h LEU 1203N -0.95 -1.15 -0.14 2.25 5.85 0.21 -1.09 115.31 120.28 3gtj h LEU 1203Ca -0.07 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3gtj h LEU 1203Cb 0.60 0.50 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 3gtj h LEU 1203CO 0.11 -0.37 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.11 3gtj h PHE 1204N -0.37 -1.40 -0.91 1.25 0.05 -1.18 -1.48 116.94 112.90 3gtj h PHE 1204Ca 0.12 0.06 0.21 0.00 3.82 0.00 0.00 57.97 62.17 3gtj h PHE 1204Cb 0.57 0.63 -0.17 0.00 2.00 0.00 0.00 35.95 38.98 3gtj h PHE 1204CO -0.49 -0.51 -0.09 1.96 -0.18 0.00 0.00 178.31 179.00 3gtj h GLN 1205N -0.53 0.02 -0.42 1.51 4.20 -0.76 -0.30 115.11 118.83 3gtj h GLN 1205Ca 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3gtj h GLN 1205Cb 0.66 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3gtj h GLN 1205CO -0.43 0.02 0.21 0.93 -0.67 0.00 0.00 178.83 178.89 3gtj h GLU 1206N 0.03 0.61 -0.90 1.46 5.08 -0.27 -0.95 114.58 119.63 3gtj h GLU 1206Ca 0.49 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 3gtj h GLU 1206Cb 0.86 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3gtj h GLU 1206CO -0.88 0.52 0.58 -0.07 -1.00 0.00 0.00 179.01 178.17 3gtj h LEU 1207N 0.55 0.96 -1.10 1.33 3.38 -0.17 -0.66 115.31 119.59 3gtj h LEU 1207Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3gtj h LEU 1207Cb 0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3gtj h LEU 1207CO -0.02 0.66 0.42 0.24 0.09 0.00 0.00 178.44 179.83 3gtj h MET 1208N 1.12 1.04 0.00 1.13 2.86 -0.65 -0.57 114.93 119.87 3gtj h MET 1208Ca 0.36 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 3gtj h MET 1208Cb 0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3gtj h MET 1208CO -0.12 0.76 -0.20 0.00 1.06 0.00 0.00 176.91 178.40 3gtj h ALA 1209N 1.41 0.89 -0.42 6.32 0.00 -0.73 -2.61 119.26 124.11 3gtj h ALA 1209Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gtj h ALA 1209Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gtj h ALA 1209CO -0.05 0.26 0.00 -0.12 0.00 0.00 0.00 179.25 179.34 3gtj n MET 1210N -3.18 3.10 -2.86 0.00 0.00 -0.30 -4.95 117.12 108.94 3gtj n MET 1210Ca 0.02 -1.99 -0.12 0.00 0.00 0.00 0.00 57.70 55.62 3gtj n MET 1210Cb 0.57 -1.80 0.06 0.00 0.00 0.00 0.00 33.22 32.05 3gtj n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtj n ASN 1211N 0.60 -4.84 -3.50 6.12 2.85 -0.78 -5.01 115.26 110.70 3gtj n ASN 1211Ca 0.18 -0.52 -0.13 0.00 -0.11 0.00 0.00 54.58 54.00 3gtj n ASN 1211Cb 0.72 -4.02 -0.11 0.00 1.24 0.00 0.00 39.78 37.61 3gtj n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gtj s ILE 1212N -3.29 -0.48 -0.23 -1.44 1.01 -0.31 -5.00 121.20 111.46 3gtj s ILE 1212Ca 0.28 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.68 3gtj s ILE 1212Cb -0.04 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3gtj s ILE 1212CO 0.55 -0.07 0.96 0.42 0.00 0.00 0.00 174.94 176.81 3gtj s THR 1213N 2.46 4.74 -1.05 2.92 -4.23 -1.26 -3.33 115.64 115.88 3gtj s THR 1213Ca 0.07 1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 62.37 3gtj s THR 1213Cb -0.14 -4.24 0.27 0.00 1.34 0.00 0.00 72.50 69.72 3gtj s THR 1213CO -0.13 -0.14 1.05 -0.81 -0.54 0.00 0.00 174.62 174.05 3gtj n PRO 1214N 6.18 3.34 -1.70 3.99 -0.04 -1.26 -5.07 135.00 140.45 3gtj n PRO 1214Ca 0.10 -4.47 -0.43 0.00 -0.04 0.00 0.00 63.50 58.65 3gtj n PRO 1214Cb 0.47 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 3gtj n PRO 1214CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gtj n ARG 1215N 2.48 2.25 -4.20 0.54 5.12 -1.26 -4.82 116.66 116.78 3gtj n ARG 1215Ca 0.24 0.80 -0.33 0.00 -1.93 0.00 0.00 57.85 56.62 3gtj n ARG 1215Cb 0.38 -2.48 -0.16 0.00 -1.16 0.00 0.00 32.46 29.04 3gtj n ARG 1215CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gtj s LEU 1216N -0.26 2.31 0.14 0.55 1.43 -0.43 -5.03 118.68 117.38 3gtj s LEU 1216Ca 0.65 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 53.27 3gtj s LEU 1216Cb -0.59 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3gtj s LEU 1216CO 0.51 0.02 -0.23 -0.31 0.23 0.00 0.00 176.35 176.57 3gtj s TYR 1217N 1.21 2.06 -0.62 0.29 1.51 -1.26 -4.50 117.35 116.04 3gtj s TYR 1217Ca 0.02 -0.40 0.15 0.00 -1.01 0.00 0.00 57.07 55.83 3gtj s TYR 1217Cb -0.14 -1.08 -0.17 0.00 -0.11 0.00 0.00 41.96 40.46 3gtj s TYR 1217CO -0.08 0.34 0.59 0.25 -1.11 0.00 0.00 175.55 175.54 3gtj n THR 1218N 0.69 0.00 -4.24 -0.71 -2.24 -1.26 -5.00 114.28 101.53 3gtj n THR 1218Ca -0.16 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 3gtj n THR 1218Cb 0.55 0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 3gtj n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtj s ASP 1219N -2.55 0.87 0.00 3.42 -4.77 -1.26 -5.29 116.67 107.09 3gtj s ASP 1219Ca 0.04 -0.20 0.32 0.00 -3.30 0.00 0.00 52.55 49.41 3gtj s ASP 1219Cb 0.11 -0.08 1.89 0.00 -1.09 0.00 0.00 42.92 43.76 3gtj s ASP 1219CO 0.61 0.05 2.22 0.54 0.70 0.00 0.00 175.17 179.29