#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkj s ASN 2 N 0.00 6.66 0.25 3.17 0.02 -1.26 -0.00 114.94 123.77 1jkj s ASN 2 Ca 0.00 1.27 0.11 0.00 -1.02 0.00 0.00 52.86 53.21 1jkj s ASN 2 Cb 0.00 -2.37 -0.05 0.00 0.02 0.00 0.00 41.25 38.85 1jkj s ASN 2 CO 0.00 -0.33 -0.12 -0.76 0.02 0.00 0.00 177.10 175.91 1jkj s LEU 3 N -3.46 2.84 0.61 0.60 1.43 -0.92 -4.71 118.68 115.08 1jkj s LEU 3 Ca 0.54 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1jkj s LEU 3 Cb -0.10 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1jkj s LEU 3 CO 0.24 0.05 1.03 -1.00 0.23 0.00 0.00 176.35 176.90 1jkj s HIS 4 N -2.19 3.56 0.23 0.29 3.76 -1.26 -4.58 115.29 115.09 1jkj s HIS 4 Ca 0.28 1.33 -0.07 0.00 -0.15 0.00 0.00 55.06 56.45 1jkj s HIS 4 Cb -0.07 -2.75 0.31 0.00 1.11 0.00 0.00 32.58 31.19 1jkj s HIS 4 CO 0.16 -0.70 1.83 1.49 -0.85 0.00 0.00 174.74 176.67 1jkj h GLU 5 N -0.19 0.83 0.00 1.40 4.81 -1.85 0.47 114.58 120.05 1jkj h GLU 5 Ca -0.44 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1jkj h GLU 5 Cb 1.19 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1jkj h GLU 5 CO 0.61 0.55 -0.24 0.10 -0.73 0.00 0.00 179.01 179.30 1jkj h TYR 6 N 0.85 0.00 0.02 0.92 -0.00 -1.93 0.16 116.97 116.99 1jkj h TYR 6 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.86 1jkj h TYR 6 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.93 1jkj h TYR 6 CO -0.05 0.24 -0.96 1.96 -0.00 0.00 0.00 178.16 179.35 1jkj h GLN 7 N 0.00 0.33 -0.48 0.10 4.20 -1.62 -1.28 115.11 116.36 1jkj h GLN 7 Ca -0.00 -0.38 -0.12 0.00 0.06 0.00 0.00 58.65 58.21 1jkj h GLN 7 Cb 0.44 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1jkj h GLN 7 CO 0.03 1.07 -0.16 0.00 -0.67 0.00 0.00 178.83 179.10 1jkj h ALA 8 N 0.79 0.81 -0.42 3.87 0.00 0.08 -1.69 119.26 122.70 1jkj h ALA 8 Ca -0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1jkj h ALA 8 Cb 1.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1jkj h ALA 8 CO 0.16 0.65 -0.18 0.87 0.00 0.00 0.00 179.25 180.76 1jkj h LYS 9 N 0.81 0.80 -0.50 0.00 1.57 -0.96 0.16 116.57 118.45 1jkj h LYS 9 Ca 0.12 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1jkj h LYS 9 Cb 0.71 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1jkj h LYS 9 CO 0.05 0.91 0.28 1.96 -0.57 0.00 0.00 179.45 182.09 1jkj h GLN 10 N 0.70 0.70 -0.34 3.15 4.20 -0.95 -0.66 115.11 121.91 1jkj h GLN 10 Ca 0.11 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1jkj h GLN 10 Cb 0.68 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1jkj h GLN 10 CO 0.05 0.54 0.17 -0.07 -0.67 0.00 0.00 178.83 178.85 1jkj h LEU 11 N 0.67 0.25 -0.48 1.46 3.38 -0.81 -1.25 115.31 118.53 1jkj h LEU 11 Ca 0.18 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1jkj h LEU 11 Cb 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1jkj h LEU 11 CO -0.03 0.18 0.15 -0.26 0.09 0.00 0.00 178.44 178.58 1jkj h PHE 12 N 0.35 0.26 -0.82 1.13 0.04 -0.31 -1.37 116.94 116.22 1jkj h PHE 12 Ca 0.14 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.97 1jkj h PHE 12 Cb 0.06 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 1jkj h PHE 12 CO -0.10 0.08 0.53 0.00 -0.60 0.00 0.00 178.31 178.21 1jkj h ALA 13 N 1.33 1.09 0.00 2.45 0.00 -0.65 0.79 119.26 124.26 1jkj h ALA 13 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jkj h ALA 13 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jkj h ALA 13 CO -0.25 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 1jkj h ARG 14 N 1.03 0.00 -0.55 0.00 3.08 -0.16 -1.16 114.38 116.62 1jkj h ARG 14 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 1jkj h ARG 14 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1jkj h ARG 14 CO -0.12 0.05 0.09 0.66 -1.07 0.00 0.00 179.97 179.58 1jkj n TYR 15 N -3.61 1.89 -0.95 3.04 4.02 -0.20 -4.94 117.16 116.42 1jkj n TYR 15 Ca -0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 57.90 56.89 1jkj n TYR 15 Cb 0.15 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1jkj n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jkj n GLY 16 N -0.01 0.19 3.83 2.72 0.00 -0.44 -4.91 105.19 106.58 1jkj n GLY 16 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1jkj n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 17 N 0.00 3.73 -0.05 0.99 1.43 0.10 -4.97 118.68 119.91 1jkj s LEU 17 Ca 0.00 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 1jkj s LEU 17 Cb 0.00 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 1jkj s LEU 17 CO 0.00 -0.54 0.35 -2.16 0.23 0.00 0.00 176.35 174.23 1jkj s PRO 18 N -3.75 3.89 0.09 1.29 0.04 -1.26 -3.93 135.00 131.37 1jkj s PRO 18 Ca 0.60 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1jkj s PRO 18 Cb -0.10 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1jkj s PRO 18 CO 0.25 0.63 0.12 0.00 0.04 0.00 0.00 177.00 178.04 1jkj s ALA 19 N -0.80 0.12 0.62 8.56 0.00 -1.26 -0.53 121.76 128.47 1jkj s ALA 19 Ca 0.21 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1jkj s ALA 19 Cb -0.15 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1jkj s ALA 19 CO 0.10 -0.48 1.20 -2.14 0.00 0.00 0.00 175.76 174.44 1jkj s PRO 20 N -3.91 2.82 0.17 0.00 0.02 -1.26 -4.91 135.00 127.94 1jkj s PRO 20 Ca 0.08 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 1jkj s PRO 20 Cb 0.06 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1jkj s PRO 20 CO -0.09 -1.31 1.60 0.08 -0.33 0.00 0.00 177.00 176.96 1jkj s VAL 21 N -1.74 2.53 0.25 3.83 1.01 -1.26 -4.80 120.40 120.22 1jkj s VAL 21 Ca 0.76 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 1jkj s VAL 21 Cb -0.29 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1jkj s VAL 21 CO 0.36 0.03 0.83 -0.83 0.00 0.00 0.00 175.10 175.49 1jkj s GLY 22 N 1.19 -0.06 -0.04 4.51 0.00 -1.26 0.12 107.32 111.79 1jkj s GLY 22 Ca 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 1jkj s GLY 22 CO 0.31 0.08 0.09 -0.19 0.00 0.00 0.00 173.10 173.39 1jkj s TYR 23 N -3.38 -0.08 -0.06 1.90 1.51 0.61 -4.96 117.35 112.89 1jkj s TYR 23 Ca 0.13 0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 56.25 1jkj s TYR 23 Cb -0.04 -0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 41.71 1jkj s TYR 23 CO 0.06 -0.09 0.55 0.00 -1.11 0.00 0.00 175.55 174.97 1jkj s ALA 24 N 0.57 3.47 -0.03 3.71 0.00 -1.26 -0.43 121.76 127.78 1jkj s ALA 24 Ca -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1jkj s ALA 24 Cb -0.06 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1jkj s ALA 24 CO -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 175.76 175.65 1jkj n THR 26 N 2.97 0.00 -4.08 0.00 -2.24 -1.26 -0.91 114.28 108.76 1jkj n THR 26 Ca -0.17 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1jkj n THR 26 Cb 0.54 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.91 1jkj n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jkj s THR 27 N -2.16 0.31 0.44 4.28 -4.23 -1.26 -4.92 115.64 108.12 1jkj s THR 27 Ca 0.17 -1.57 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1jkj s THR 27 Cb 0.16 -1.20 0.22 0.00 1.34 0.00 0.00 72.50 73.02 1jkj s THR 27 CO 0.47 -0.81 2.03 -0.65 -0.54 0.00 0.00 174.62 175.12 1jkj h PRO 28 N 3.56 0.18 -0.62 3.99 0.11 -1.90 -1.48 132.00 135.84 1jkj h PRO 28 Ca -0.34 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1jkj h PRO 28 Cb 1.17 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1jkj h PRO 28 CO 0.58 0.22 0.27 -0.09 -0.21 0.00 0.00 178.00 178.77 1jkj h ARG 29 N 0.18 0.92 -0.40 1.05 2.43 -1.96 0.31 114.38 116.91 1jkj h ARG 29 Ca 0.04 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1jkj h ARG 29 Cb 0.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1jkj h ARG 29 CO 0.00 0.77 -0.19 0.93 -1.51 0.00 0.00 179.97 179.97 1jkj h GLU 30 N 0.87 0.84 -0.46 0.20 5.08 -1.81 -0.75 114.58 118.55 1jkj h GLU 30 Ca 0.21 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1jkj h GLU 30 Cb 0.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jkj h GLU 30 CO -0.02 1.00 0.29 0.00 -1.00 0.00 0.00 179.01 179.28 1jkj h ALA 31 N 0.82 0.58 -0.09 3.43 0.00 -0.89 -0.16 119.26 122.94 1jkj h ALA 31 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1jkj h ALA 31 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jkj h ALA 31 CO 0.06 0.01 -0.50 1.05 0.00 0.00 0.00 179.25 179.86 1jkj h GLU 32 N 0.59 0.23 0.00 0.00 4.11 -0.22 -2.23 114.58 117.08 1jkj h GLU 32 Ca 0.17 -0.13 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 1jkj h GLU 32 Cb -0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jkj h GLU 32 CO -0.05 0.68 -0.20 0.93 0.07 0.00 0.00 179.01 180.44 1jkj h GLU 33 N 0.19 0.00 0.00 1.06 5.08 -0.62 -2.60 114.58 117.69 1jkj h GLU 33 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jkj h GLU 33 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1jkj h GLU 33 CO 0.08 0.20 -0.04 0.00 -1.00 0.00 0.00 179.01 178.25 1jkj h ALA 34 N 1.80 1.77 0.03 3.43 0.00 -0.39 -2.94 119.26 122.95 1jkj h ALA 34 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jkj h ALA 34 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jkj h ALA 34 CO 0.03 0.05 -0.27 0.00 0.00 0.00 0.00 179.25 179.06 1jkj h ALA 35 N 1.96 -0.39 0.00 0.00 0.00 -1.52 0.22 119.26 119.52 1jkj h ALA 35 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jkj h ALA 35 Cb 0.08 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jkj h ALA 35 CO 0.01 -0.78 -0.44 0.77 0.00 0.00 0.00 179.25 178.80 1jkj h SER 36 N -0.43 0.00 -0.18 0.00 0.02 -1.71 -0.69 113.55 110.56 1jkj h SER 36 Ca 0.06 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1jkj h SER 36 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1jkj h SER 36 CO -0.22 0.44 -0.21 0.11 -1.14 0.00 0.00 176.83 175.81 1jkj h LYS 37 N 0.00 0.61 -0.02 3.45 1.57 -1.32 -3.11 116.57 117.75 1jkj h LYS 37 Ca -0.00 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1jkj h LYS 37 Cb 0.96 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1jkj h LYS 37 CO 0.06 0.78 -0.37 0.82 -0.57 0.00 0.00 179.45 180.17 1jkj h ILE 38 N 0.54 1.47 0.00 1.86 2.04 -0.11 -3.50 117.51 119.82 1jkj h ILE 38 Ca 0.08 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1jkj h ILE 38 Cb 0.65 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1jkj h ILE 38 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.35 1jkj n GLY 39 N 0.93 0.61 3.78 5.37 0.00 -0.31 -4.99 105.19 110.58 1jkj n GLY 39 Ca -0.09 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1jkj n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj n ALA 40 N -1.00 2.37 -1.12 4.61 0.00 -1.26 -4.54 120.51 119.57 1jkj n ALA 40 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 1jkj n ALA 40 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.10 1jkj n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 41 N 0.45 -2.05 3.86 0.00 0.00 -1.26 -4.82 105.19 101.37 1jkj n GLY 41 Ca 0.02 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1jkj n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkj s PRO 42 N -3.83 0.71 0.06 1.61 0.04 -1.26 -4.99 135.00 127.35 1jkj s PRO 42 Ca 0.23 -0.18 0.07 0.00 0.04 0.00 0.00 61.00 61.16 1jkj s PRO 42 Cb -0.02 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1jkj s PRO 42 CO 0.17 -2.40 -0.19 -1.58 0.04 0.00 0.00 177.00 173.03 1jkj s TRP 43 N -3.64 1.66 -0.12 0.56 0.51 0.19 -3.21 118.94 114.89 1jkj s TRP 43 Ca 0.70 -0.39 -0.14 0.00 -2.12 0.00 0.00 56.10 54.15 1jkj s TRP 43 Cb -0.07 -0.96 -0.05 0.00 -0.81 0.00 0.00 33.47 31.58 1jkj s TRP 43 CO 0.53 0.12 0.32 0.08 -0.51 0.00 0.00 176.95 177.48 1jkj s VAL 44 N -0.97 5.26 -0.08 4.03 1.01 -0.34 -0.06 120.40 129.26 1jkj s VAL 44 Ca 0.05 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1jkj s VAL 44 Cb -0.09 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1jkj s VAL 44 CO 0.03 0.44 -0.24 0.68 0.00 0.00 0.00 175.10 176.00 1jkj s VAL 45 N 0.07 2.13 -0.05 2.92 -7.23 0.82 -1.18 120.40 117.88 1jkj s VAL 45 Ca 0.19 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1jkj s VAL 45 Cb -0.14 -1.79 0.03 0.00 0.56 0.00 0.00 36.38 35.04 1jkj s VAL 45 CO 0.06 0.56 0.01 -0.54 -0.31 0.00 0.00 175.10 174.88 1jkj s LYS 46 N 0.06 0.42 0.35 4.82 1.02 0.14 -1.61 119.74 124.93 1jkj s LYS 46 Ca -0.10 0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.73 1jkj s LYS 46 Cb -0.16 -0.73 -0.11 0.00 -0.52 0.00 0.00 37.83 36.31 1jkj s LYS 46 CO 0.06 -0.23 1.45 0.00 -0.92 0.00 0.00 175.35 175.71 1jkj s GLN 48 N -1.76 2.83 0.04 0.00 -1.52 -0.13 -4.84 119.66 114.29 1jkj s GLN 48 Ca 0.53 -1.30 -0.00 0.00 -1.95 0.00 0.00 55.36 52.64 1jkj s GLN 48 Cb -0.45 -3.94 -0.03 0.00 -0.22 0.00 0.00 33.01 28.37 1jkj s GLN 48 CO 0.58 -0.92 -0.04 0.14 -0.25 0.00 0.00 175.29 174.80 1jkj s VAL 49 N 1.56 0.26 0.20 1.09 -7.23 -1.26 -4.39 120.40 110.63 1jkj s VAL 49 Ca 0.03 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1jkj s VAL 49 Cb -0.22 -1.04 0.04 0.00 0.56 0.00 0.00 36.38 35.71 1jkj s VAL 49 CO 0.06 -0.77 1.62 0.45 -0.31 0.00 0.00 175.10 176.15 1jkj h HIS 50 N 3.74 0.99 -4.23 2.82 3.86 -1.92 -3.44 115.15 116.98 1jkj h HIS 50 Ca -0.34 -0.22 -0.53 0.00 -1.16 0.00 0.00 60.37 58.13 1jkj h HIS 50 Cb 1.17 -0.24 0.16 0.00 1.06 0.00 0.00 27.41 29.56 1jkj h HIS 50 CO 0.59 0.98 0.33 0.00 0.86 0.00 0.00 177.93 180.69 1jkj s ALA 51 N -4.70 1.95 0.73 2.45 0.00 -1.26 -5.01 121.76 115.91 1jkj s ALA 51 Ca -0.10 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1jkj s ALA 51 Cb 0.13 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.96 1jkj s ALA 51 CO 0.85 -2.11 1.00 0.20 0.00 0.00 0.00 175.76 175.69 1jkj s GLY 52 N -2.43 1.74 -0.51 0.00 0.00 -1.26 -4.58 107.32 100.27 1jkj s GLY 52 Ca 0.70 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1jkj s GLY 52 CO 0.50 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1jkj n GLY 53 N -2.81 0.34 0.18 0.20 0.00 -1.26 -4.16 105.19 97.68 1jkj n GLY 53 Ca 0.17 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 1jkj n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jkj h ARG 54 N 0.00 0.39 0.95 1.61 3.08 -1.95 -2.73 114.38 115.74 1jkj h ARG 54 Ca -0.13 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 1jkj h ARG 54 Cb 0.87 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.98 1jkj h ARG 54 CO 0.16 0.90 -0.46 0.78 -1.07 0.00 0.00 179.97 180.28 1jkj h GLY 55 N 1.28 -1.34 1.36 0.04 0.00 -1.89 0.36 103.07 102.88 1jkj h GLY 55 Ca -0.01 0.49 0.07 0.00 0.00 0.00 0.00 47.33 47.88 1jkj h GLY 55 CO 0.11 -0.49 0.26 0.50 0.00 0.00 0.00 176.54 176.92 1jkj h LYS 56 N -1.29 0.00 -0.16 4.80 1.57 -1.95 0.06 116.57 119.61 1jkj h LYS 56 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1jkj h LYS 56 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1jkj h LYS 56 CO 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 1jkj n ALA 57 N -2.35 2.52 -0.50 3.86 0.00 -0.90 -4.91 120.51 118.24 1jkj n ALA 57 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1jkj n ALA 57 Cb 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1jkj n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 58 N 1.15 0.75 0.52 0.00 0.00 0.01 -4.92 105.19 102.70 1jkj n GLY 58 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1jkj n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 59 N -2.42 0.20 2.77 -0.02 0.00 0.12 -4.74 105.19 101.10 1jkj n GLY 59 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1jkj n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 60 N -1.82 0.34 0.01 1.61 1.01 -1.24 -0.61 120.40 119.70 1jkj s VAL 60 Ca 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1jkj s VAL 60 Cb 0.18 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1jkj s VAL 60 CO 0.27 0.25 0.03 -0.54 0.00 0.00 0.00 175.10 175.11 1jkj s LYS 61 N 1.93 0.34 -0.24 2.72 1.02 -0.63 -4.87 119.74 119.99 1jkj s LYS 61 Ca 0.04 -0.48 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 1jkj s LYS 61 Cb -0.12 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1jkj s LYS 61 CO -0.05 -0.07 0.10 0.08 -0.92 0.00 0.00 175.35 174.50 1jkj s VAL 62 N -1.29 4.72 0.29 3.17 1.01 -1.26 -0.13 120.40 126.92 1jkj s VAL 62 Ca -0.14 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1jkj s VAL 62 Cb -0.08 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1jkj s VAL 62 CO -0.00 0.34 -0.10 0.68 0.00 0.00 0.00 175.10 176.02 1jkj s VAL 63 N 1.36 1.99 -0.08 2.92 -7.23 0.91 -4.92 120.40 115.34 1jkj s VAL 63 Ca 0.06 -2.21 0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1jkj s VAL 63 Cb -0.15 -2.44 0.18 0.00 0.56 0.00 0.00 36.38 34.53 1jkj s VAL 63 CO 0.05 -0.32 1.09 -0.46 -0.31 0.00 0.00 175.10 175.16 1jkj n ASN 64 N -0.64 1.37 -3.84 4.85 0.23 -1.26 0.54 115.26 116.52 1jkj n ASN 64 Ca -0.06 -2.66 -0.12 0.00 -0.53 0.00 0.00 54.58 51.22 1jkj n ASN 64 Cb 0.63 -0.34 -0.12 0.00 -2.08 0.00 0.00 39.78 37.87 1jkj n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1jkj s SER 65 N -2.13 -0.09 0.38 0.53 1.04 -1.26 -4.92 113.70 107.25 1jkj s SER 65 Ca 0.20 0.13 0.12 0.00 0.48 0.00 0.00 55.95 56.87 1jkj s SER 65 Cb 0.17 0.26 0.92 0.00 0.10 0.00 0.00 66.02 67.47 1jkj s SER 65 CO 0.01 -0.14 1.86 0.11 0.98 0.00 0.00 173.24 176.06 1jkj h LYS 66 N 5.46 0.56 -0.68 4.02 1.57 -1.96 0.02 116.57 125.56 1jkj h LYS 66 Ca -0.27 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1jkj h LYS 66 Cb 1.20 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1jkj h LYS 66 CO 0.42 0.37 0.45 0.93 -0.57 0.00 0.00 179.45 181.05 1jkj h GLU 67 N 0.58 0.90 -0.38 3.15 3.07 -1.96 -1.48 114.58 118.46 1jkj h GLU 67 Ca 0.46 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.15 1jkj h GLU 67 Cb 0.89 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1jkj h GLU 67 CO -0.21 0.60 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.33 1jkj h ASP 68 N 0.93 0.78 0.27 1.42 3.32 -1.42 -1.21 116.42 120.51 1jkj h ASP 68 Ca 0.25 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1jkj h ASP 68 Cb -0.10 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1jkj h ASP 68 CO -0.05 0.99 -0.14 0.40 -1.72 0.00 0.00 179.24 178.72 1jkj h ILE 69 N 0.67 0.71 -0.49 0.35 2.04 -0.99 -0.22 117.51 119.58 1jkj h ILE 69 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1jkj h ILE 69 Cb 0.75 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1jkj h ILE 69 CO 0.06 0.00 0.21 -0.09 0.00 0.00 0.00 178.15 178.33 1jkj h ARG 70 N -0.38 0.40 -0.66 2.37 2.43 -1.19 0.20 114.38 117.54 1jkj h ARG 70 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1jkj h ARG 70 Cb 0.30 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1jkj h ARG 70 CO 0.05 0.26 0.35 0.00 -1.51 0.00 0.00 179.97 179.13 1jkj h ALA 71 N 1.29 0.85 -0.25 2.80 0.00 -1.08 0.38 119.26 123.25 1jkj h ALA 71 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jkj h ALA 71 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jkj h ALA 71 CO -0.20 0.38 0.15 0.35 0.00 0.00 0.00 179.25 179.94 1jkj h PHE 72 N 0.91 0.34 -0.67 0.00 3.57 -0.10 0.46 116.94 121.45 1jkj h PHE 72 Ca 0.23 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jkj h PHE 72 Cb 0.07 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1jkj h PHE 72 CO -0.00 0.26 0.41 0.00 -2.23 0.00 0.00 178.31 176.75 1jkj h ALA 73 N 1.05 0.85 -0.42 2.41 0.00 -0.20 -0.47 119.26 122.48 1jkj h ALA 73 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1jkj h ALA 73 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jkj h ALA 73 CO -0.02 0.32 -0.14 0.93 0.00 0.00 0.00 179.25 180.34 1jkj h GLU 74 N 0.91 0.78 -0.33 0.00 5.08 0.17 -0.88 114.58 120.32 1jkj h GLU 74 Ca 0.24 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1jkj h GLU 74 Cb -0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1jkj h GLU 74 CO -0.05 0.88 0.11 -0.97 -1.00 0.00 0.00 179.01 177.98 1jkj h ASN 75 N 0.70 0.47 0.28 1.42 -1.24 0.53 -3.37 115.58 114.37 1jkj h ASN 75 Ca 0.11 -0.20 -0.33 0.00 0.71 0.00 0.00 56.30 56.59 1jkj h ASN 75 Cb 0.63 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 1jkj h ASN 75 CO 0.04 0.55 -1.98 0.79 -1.29 0.00 0.00 177.43 175.54 1jkj n TRP 76 N -4.68 0.68 -1.70 0.67 7.02 -0.24 -4.76 117.44 114.43 1jkj n TRP 76 Ca -0.02 0.23 -0.43 0.00 -1.02 0.00 0.00 57.50 56.26 1jkj n TRP 76 Cb 0.16 -1.12 -0.03 0.00 -2.42 0.00 0.00 31.31 27.90 1jkj n TRP 76 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1jkj n LEU 77 N -3.01 3.75 0.00 -0.99 4.77 -0.35 -1.16 117.00 120.00 1jkj n LEU 77 Ca -0.25 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1jkj n LEU 77 Cb 1.08 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1jkj n LEU 77 CO 0.43 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1jkj n GLY 78 N 3.90 1.19 3.90 -0.72 0.00 0.44 -4.97 105.19 108.94 1jkj n GLY 78 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1jkj n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jkj s LYS 79 N -0.05 2.83 -0.04 1.61 2.20 -0.31 -4.88 119.74 121.10 1jkj s LYS 79 Ca 0.00 -1.23 -0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1jkj s LYS 79 Cb 0.00 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1jkj s LYS 79 CO 0.00 0.04 -0.00 1.03 -0.36 0.00 0.00 175.35 176.06 1jkj s ARG 80 N -4.08 2.88 -0.23 4.03 0.52 -1.26 -1.37 118.95 119.43 1jkj s ARG 80 Ca 0.43 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 55.05 1jkj s ARG 80 Cb -0.07 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1jkj s ARG 80 CO 0.28 0.66 0.10 -1.17 0.02 0.00 0.00 175.30 175.20 1jkj s LEU 81 N -1.21 3.74 -0.21 2.53 2.96 0.32 -4.84 118.68 121.96 1jkj s LEU 81 Ca 0.16 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 1jkj s LEU 81 Cb -0.11 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1jkj s LEU 81 CO 0.06 0.04 0.11 -0.69 -1.32 0.00 0.00 176.35 174.55 1jkj s VAL 82 N 1.19 5.07 0.37 1.68 1.01 -1.26 -1.43 120.40 127.02 1jkj s VAL 82 Ca 0.05 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1jkj s VAL 82 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1jkj s VAL 82 CO 0.04 0.41 0.10 0.42 0.00 0.00 0.00 175.10 176.07 1jkj s THR 83 N 0.71 0.82 -2.00 3.92 -4.23 -1.26 -4.76 115.64 108.84 1jkj s THR 83 Ca 0.06 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 1jkj s THR 83 Cb -0.13 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 71.64 1jkj s THR 83 CO 0.02 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.48 1jkj n TYR 84 N -0.80 0.00 0.40 3.99 0.18 -1.26 -1.71 117.16 117.97 1jkj n TYR 84 Ca -0.04 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.79 1jkj n TYR 84 Cb 0.66 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.66 1jkj n TYR 84 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1jkj n GLN 85 N -0.92 0.40 -3.97 -3.48 6.02 -1.26 -4.98 117.38 109.19 1jkj n GLN 85 Ca 0.12 -1.06 -0.25 0.00 -0.01 0.00 0.00 57.00 55.80 1jkj n GLN 85 Cb 0.06 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 30.09 1jkj n GLN 85 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1jkj s THR 86 N -0.82 2.10 0.84 5.09 -4.23 -0.69 -4.83 115.64 113.09 1jkj s THR 86 Ca 0.11 -1.57 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1jkj s THR 86 Cb 0.08 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.40 1jkj s THR 86 CO 0.12 0.00 1.17 1.51 -0.54 0.00 0.00 174.62 176.88 1jkj s ASP 87 N -4.07 3.81 0.00 3.99 1.47 -1.26 -4.70 116.67 115.91 1jkj s ASP 87 Ca 0.38 0.10 0.00 0.00 1.18 0.00 0.00 52.55 54.21 1jkj s ASP 87 Cb 0.00 -0.36 0.00 0.00 -0.34 0.00 0.00 42.92 42.23 1jkj s ASP 87 CO 0.22 -2.26 0.94 0.00 0.68 0.00 0.00 175.17 174.75 1jkj n ALA 88 N -3.32 1.02 0.30 2.11 0.00 -1.26 -0.93 120.51 118.42 1jkj n ALA 88 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1jkj n ALA 88 Cb 0.60 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 19.09 1jkj n ALA 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jkj n ASN 89 N -1.44 0.64 -0.75 0.00 5.15 -1.26 -4.95 115.26 112.65 1jkj n ASN 89 Ca 0.00 0.08 0.07 0.00 -0.60 0.00 0.00 54.58 54.13 1jkj n ASN 89 Cb 0.01 0.73 -0.02 0.00 -0.53 0.00 0.00 39.78 39.98 1jkj n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jkj n GLY 90 N 1.27 -1.75 3.36 8.20 0.00 -0.10 -4.77 105.19 111.39 1jkj n GLY 90 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1jkj n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkj s GLN 91 N -0.95 1.97 0.37 1.61 -0.21 -0.51 -4.84 119.66 117.10 1jkj s GLN 91 Ca 0.00 -1.02 -0.27 0.00 0.02 0.00 0.00 55.36 54.09 1jkj s GLN 91 Cb 0.00 -2.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 1jkj s GLN 91 CO 0.00 0.54 1.27 -1.25 -2.12 0.00 0.00 175.29 173.73 1jkj s PRO 92 N -1.05 4.14 -0.45 2.91 0.04 -1.26 -0.52 135.00 138.81 1jkj s PRO 92 Ca 0.12 2.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 1jkj s PRO 92 Cb -0.10 -2.87 0.07 0.00 0.04 0.00 0.00 34.50 31.64 1jkj s PRO 92 CO 0.01 -0.33 0.33 0.08 0.04 0.00 0.00 177.00 177.14 1jkj s VAL 93 N -1.24 4.87 -0.80 -0.36 1.01 -0.47 -4.73 120.40 118.68 1jkj s VAL 93 Ca 0.54 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1jkj s VAL 93 Cb -0.37 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1jkj s VAL 93 CO 0.48 -0.52 0.65 0.59 0.00 0.00 0.00 175.10 176.31 1jkj n ASN 94 N 5.10 1.39 -3.81 3.32 4.13 -1.26 -0.42 115.26 123.71 1jkj n ASN 94 Ca -0.12 -1.19 -0.13 0.00 1.68 0.00 0.00 54.58 54.82 1jkj n ASN 94 Cb 0.44 0.16 -0.12 0.00 -1.54 0.00 0.00 39.78 38.71 1jkj n ASN 94 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1jkj s GLN 95 N -0.76 0.20 -0.16 3.52 1.11 -1.26 -4.42 119.66 117.89 1jkj s GLN 95 Ca 0.07 0.25 0.01 0.00 0.01 0.00 0.00 55.36 55.71 1jkj s GLN 95 Cb 0.06 0.08 0.01 0.00 -1.01 0.00 0.00 33.01 32.15 1jkj s GLN 95 CO 0.12 -0.03 -0.18 0.42 0.01 0.00 0.00 175.29 175.62 1jkj s ILE 96 N 0.16 2.35 -0.14 1.08 -1.09 -0.08 -0.95 121.20 122.53 1jkj s ILE 96 Ca -0.01 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.35 1jkj s ILE 96 Cb -0.02 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1jkj s ILE 96 CO -0.00 0.53 0.52 -0.22 -1.23 0.00 0.00 174.94 174.53 1jkj s LEU 97 N 0.93 4.24 -0.22 2.97 2.96 0.64 -0.55 118.68 129.64 1jkj s LEU 97 Ca -0.04 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1jkj s LEU 97 Cb -0.15 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1jkj s LEU 97 CO -0.03 -0.07 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.15 1jkj s VAL 98 N 0.95 2.82 0.24 1.68 1.01 0.43 0.23 120.40 127.75 1jkj s VAL 98 Ca 0.27 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1jkj s VAL 98 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1jkj s VAL 98 CO 0.11 0.34 0.11 -1.83 0.00 0.00 0.00 175.10 173.83 1jkj s GLU 99 N 1.36 1.34 0.40 2.72 -1.05 -0.32 -0.28 118.70 122.86 1jkj s GLU 99 Ca 0.03 -1.72 -0.26 0.00 -0.15 0.00 0.00 54.97 52.86 1jkj s GLU 99 Cb -0.15 -0.05 -0.09 0.00 -0.44 0.00 0.00 34.13 33.39 1jkj s GLU 99 CO -0.06 -0.34 1.33 0.00 0.95 0.00 0.00 175.26 177.14 1jkj s ALA 100 N -3.90 3.31 0.54 -0.84 0.00 0.12 -1.20 121.76 119.79 1jkj s ALA 100 Ca 0.38 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 1jkj s ALA 100 Cb 0.07 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1jkj s ALA 100 CO 0.13 -0.87 1.10 0.00 0.00 0.00 0.00 175.76 176.13 1jkj s ALA 101 N -1.23 2.73 -0.03 0.00 0.00 -1.20 -4.54 121.76 117.50 1jkj s ALA 101 Ca 0.56 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1jkj s ALA 101 Cb -0.40 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1jkj s ALA 101 CO 0.51 -0.68 -0.25 0.99 0.00 0.00 0.00 175.76 176.33 1jkj s THR 102 N -1.88 2.00 -0.65 0.00 2.01 -1.26 -5.02 115.64 110.83 1jkj s THR 102 Ca 0.71 -1.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1jkj s THR 102 Cb -0.21 -1.67 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1jkj s THR 102 CO 0.26 0.56 0.98 -1.81 -0.69 0.00 0.00 174.62 173.93 1jkj s ASP 103 N -0.51 6.20 -0.21 3.53 1.01 -1.26 -5.01 116.67 120.41 1jkj s ASP 103 Ca 0.07 -0.85 -0.28 0.00 0.71 0.00 0.00 52.55 52.20 1jkj s ASP 103 Cb -0.10 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1jkj s ASP 103 CO -0.00 -1.44 0.98 -0.63 0.21 0.00 0.00 175.17 174.29 1jkj s ILE 104 N 4.18 4.74 -0.24 0.77 1.01 -1.26 -0.45 121.20 129.95 1jkj s ILE 104 Ca 0.24 1.92 -0.17 0.00 0.00 0.00 0.00 60.65 62.65 1jkj s ILE 104 Cb -0.15 -4.26 -0.16 0.00 0.01 0.00 0.00 42.46 37.89 1jkj s ILE 104 CO 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 174.94 174.90 1jkj n ALA 105 N 5.99 0.99 -3.13 9.38 0.00 0.45 -4.72 120.51 129.48 1jkj n ALA 105 Ca 0.10 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 1jkj n ALA 105 Cb 0.47 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 1jkj n ALA 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jkj s LYS 106 N -2.44 0.49 -0.22 0.00 2.20 -0.64 -4.97 119.74 114.15 1jkj s LYS 106 Ca -0.33 -0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1jkj s LYS 106 Cb 0.10 0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1jkj s LYS 106 CO 0.56 -0.12 -0.04 -1.21 -0.36 0.00 0.00 175.35 174.19 1jkj s GLU 107 N -1.19 3.40 0.47 4.03 2.02 -1.26 -0.30 118.70 125.87 1jkj s GLU 107 Ca -0.13 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1jkj s GLU 107 Cb -0.06 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1jkj s GLU 107 CO 0.02 -0.19 0.18 -0.51 0.02 0.00 0.00 175.26 174.78 1jkj s LEU 108 N 1.48 2.80 -0.03 1.80 1.43 0.24 -0.42 118.68 125.97 1jkj s LEU 108 Ca 0.06 -1.28 0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1jkj s LEU 108 Cb -0.14 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1jkj s LEU 108 CO -0.03 -0.76 -0.11 -0.47 0.23 0.00 0.00 176.35 175.21 1jkj s TYR 109 N -2.72 1.14 -0.05 0.29 6.14 0.12 0.05 117.35 122.32 1jkj s TYR 109 Ca 0.30 -0.29 -0.02 0.00 0.64 0.00 0.00 57.07 57.70 1jkj s TYR 109 Cb 0.02 -0.79 0.03 0.00 0.42 0.00 0.00 41.96 41.65 1jkj s TYR 109 CO 0.17 -0.11 0.12 -1.17 0.64 0.00 0.00 175.55 175.20 1jkj s LEU 110 N 0.11 0.87 0.29 6.97 2.96 -0.98 -0.70 118.68 128.19 1jkj s LEU 110 Ca -0.02 0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 1jkj s LEU 110 Cb -0.09 0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.90 1jkj s LEU 110 CO 0.01 -0.13 0.72 -0.83 -1.32 0.00 0.00 176.35 174.80 1jkj s GLY 111 N 1.05 -0.06 -0.02 7.98 0.00 0.12 -0.05 107.32 116.33 1jkj s GLY 111 Ca -0.08 -0.34 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 1jkj s GLY 111 CO -0.05 -0.10 0.43 0.00 0.00 0.00 0.00 173.10 173.38 1jkj s ALA 112 N -3.82 -1.10 0.25 3.20 0.00 0.02 0.82 121.76 121.12 1jkj s ALA 112 Ca 0.11 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1jkj s ALA 112 Cb -0.06 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1jkj s ALA 112 CO 0.07 -0.32 0.50 0.14 0.00 0.00 0.00 175.76 176.16 1jkj s VAL 113 N -1.46 0.00 -0.22 0.00 -7.23 -0.89 -0.66 120.40 109.95 1jkj s VAL 113 Ca -0.12 -1.32 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1jkj s VAL 113 Cb -0.03 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1jkj s VAL 113 CO 0.05 -0.02 0.71 -0.69 -0.31 0.00 0.00 175.10 174.84 1jkj s VAL 114 N -4.00 4.95 -0.34 1.32 1.01 -1.24 -0.72 120.40 121.38 1jkj s VAL 114 Ca 0.20 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1jkj s VAL 114 Cb -0.01 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1jkj s VAL 114 CO 0.08 0.03 0.70 -0.62 0.00 0.00 0.00 175.10 175.29 1jkj s ASP 115 N 1.31 6.51 0.40 3.32 -1.08 0.11 -4.92 116.67 122.33 1jkj s ASP 115 Ca 0.31 0.33 0.21 0.00 -0.52 0.00 0.00 52.55 52.88 1jkj s ASP 115 Cb -0.16 -2.36 0.73 0.00 -1.46 0.00 0.00 42.92 39.68 1jkj s ASP 115 CO 0.09 -0.62 1.75 0.03 0.52 0.00 0.00 175.17 176.94 1jkj h ARG 116 N 8.37 0.00 -0.03 4.34 3.08 -1.95 0.20 114.38 128.40 1jkj h ARG 116 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1jkj h ARG 116 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1jkj h ARG 116 CO 0.86 0.30 -0.04 1.03 -1.07 0.00 0.00 179.97 181.06 1jkj h SER 117 N 0.00 0.08 0.67 7.04 0.87 -1.95 -3.19 113.55 117.07 1jkj h SER 117 Ca -0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1jkj h SER 117 Cb 0.87 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1jkj h SER 117 CO 0.04 0.59 -0.33 -1.54 -0.53 0.00 0.00 176.83 175.07 1jkj n SER 118 N -4.77 0.33 -3.44 6.23 3.41 -1.22 -4.96 113.62 109.20 1jkj n SER 118 Ca -0.08 -0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.35 1jkj n SER 118 Cb 0.30 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1jkj n SER 118 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jkj n ARG 119 N -1.49 -6.34 -3.93 4.33 1.74 0.69 -5.02 116.66 106.65 1jkj n ARG 119 Ca 0.06 0.84 -0.09 0.00 -0.77 0.00 0.00 57.85 57.89 1jkj n ARG 119 Cb 0.34 -5.82 -0.07 0.00 -1.02 0.00 0.00 32.46 25.88 1jkj n ARG 119 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jkj s ARG 120 N -5.36 0.95 -0.12 5.56 1.81 -1.06 -4.99 118.95 115.74 1jkj s ARG 120 Ca 0.02 -1.08 -0.28 0.00 -1.72 0.00 0.00 55.73 52.67 1jkj s ARG 120 Cb -0.00 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.82 1jkj s ARG 120 CO 0.74 -0.32 0.92 0.08 -0.68 0.00 0.00 175.30 176.04 1jkj s VAL 121 N -3.92 4.84 -0.14 3.52 1.01 -1.26 0.10 120.40 124.55 1jkj s VAL 121 Ca 0.11 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1jkj s VAL 121 Cb 0.05 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1jkj s VAL 121 CO -0.06 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.21 1jkj s VAL 122 N 1.92 2.47 0.01 2.92 1.01 0.10 -0.50 120.40 128.34 1jkj s VAL 122 Ca 0.44 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1jkj s VAL 122 Cb -0.18 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 1jkj s VAL 122 CO 0.16 0.53 0.38 -0.36 0.00 0.00 0.00 175.10 175.81 1jkj s PHE 123 N 0.68 3.67 -0.03 5.22 0.40 0.55 -2.09 117.98 126.39 1jkj s PHE 123 Ca -0.09 0.89 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 1jkj s PHE 123 Cb -0.16 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.17 1jkj s PHE 123 CO 0.02 0.62 -0.06 0.00 0.70 0.00 0.00 175.22 176.49 1jkj s MET 124 N -1.32 0.77 0.07 0.44 0.23 0.24 -1.07 119.30 118.66 1jkj s MET 124 Ca 0.26 -0.19 0.05 0.00 -1.03 0.00 0.00 55.69 54.77 1jkj s MET 124 Cb -0.15 -0.75 -0.03 0.00 -1.53 0.00 0.00 34.83 32.37 1jkj s MET 124 CO 0.14 0.04 -0.14 0.00 -2.03 0.00 0.00 175.02 173.03 1jkj s ALA 125 N 0.40 1.14 0.05 3.16 0.00 0.33 0.12 121.76 126.95 1jkj s ALA 125 Ca -0.05 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1jkj s ALA 125 Cb -0.09 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1jkj s ALA 125 CO 0.00 0.14 0.47 0.45 0.00 0.00 0.00 175.76 176.82 1jkj s SER 126 N -1.77 -0.36 0.00 0.00 0.15 0.12 -0.07 113.70 111.76 1jkj s SER 126 Ca -0.02 0.09 0.28 0.00 0.70 0.00 0.00 55.95 57.00 1jkj s SER 126 Cb -0.10 0.46 1.01 0.00 -1.71 0.00 0.00 66.02 65.68 1jkj s SER 126 CO 0.02 -0.69 1.73 0.35 1.20 0.00 0.00 173.24 175.85 1jkj n THR 127 N 0.46 0.00 -1.11 6.45 -2.24 -1.26 0.13 114.28 116.70 1jkj n THR 127 Ca -0.18 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 1jkj n THR 127 Cb 0.60 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 1jkj n THR 127 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jkj n GLU 128 N -1.05 2.03 -1.22 -0.78 -0.58 -1.26 -4.54 120.64 113.24 1jkj n GLU 128 Ca 0.12 -1.40 -0.32 0.00 -0.42 0.00 0.00 57.16 55.14 1jkj n GLU 128 Cb 0.31 -1.93 0.10 0.00 -0.57 0.00 0.00 31.44 29.35 1jkj n GLU 128 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1jkj s GLY 129 N 1.33 1.80 0.00 0.62 0.00 0.43 -3.59 107.32 107.92 1jkj s GLY 129 Ca 0.56 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1jkj s GLY 129 CO -0.07 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.43 1jkj n GLY 130 N -0.67 0.65 3.45 0.20 0.00 -1.26 -4.73 105.19 102.83 1jkj n GLY 130 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1jkj n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 131 N -2.66 2.55 0.02 1.61 1.01 -1.24 -5.04 120.40 116.65 1jkj s VAL 131 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 1jkj s VAL 131 Cb 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1jkj s VAL 131 CO 0.00 -0.05 1.37 -1.61 0.00 0.00 0.00 175.10 174.80 1jkj s GLU 132 N -2.53 4.31 0.55 2.72 0.41 -1.26 -4.88 118.70 118.02 1jkj s GLU 132 Ca 0.20 1.95 0.24 0.00 -0.41 0.00 0.00 54.97 56.95 1jkj s GLU 132 Cb -0.09 -3.49 1.46 0.00 -1.78 0.00 0.00 34.13 30.23 1jkj s GLU 132 CO 0.10 -0.51 2.07 0.97 -0.49 0.00 0.00 175.26 177.40 1jkj h ILE 133 N 4.76 0.70 -0.37 -1.63 2.10 -1.97 -1.24 117.51 119.86 1jkj h ILE 133 Ca -0.39 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.49 1jkj h ILE 133 Cb 1.19 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1jkj h ILE 133 CO 0.88 0.00 -0.04 -0.08 -1.08 0.00 0.00 178.15 177.83 1jkj h GLU 134 N 0.00 0.61 -0.14 2.19 4.81 -1.99 -0.34 114.58 119.72 1jkj h GLU 134 Ca 0.13 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1jkj h GLU 134 Cb 0.59 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1jkj h GLU 134 CO -0.00 0.66 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.42 1jkj h LYS 135 N 0.57 0.45 -0.91 1.92 3.64 -1.62 -1.56 116.57 119.06 1jkj h LYS 135 Ca 0.11 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1jkj h LYS 135 Cb 0.43 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1jkj h LYS 135 CO 0.02 0.91 0.60 0.28 -2.27 0.00 0.00 179.45 178.99 1jkj h VAL 136 N 0.06 1.20 -0.54 2.00 2.07 -1.17 -0.53 116.25 119.33 1jkj h VAL 136 Ca 0.00 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1jkj h VAL 136 Cb 0.90 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1jkj h VAL 136 CO 0.07 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.81 1jkj h ALA 137 N 1.35 0.86 -0.18 1.67 0.00 -0.97 0.17 119.26 122.16 1jkj h ALA 137 Ca 0.35 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1jkj h ALA 137 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jkj h ALA 137 CO -0.09 0.65 -0.55 1.49 0.00 0.00 0.00 179.25 180.75 1jkj h GLU 138 N 0.89 0.69 0.10 0.00 4.22 -0.94 -3.18 114.58 116.35 1jkj h GLU 138 Ca 0.15 -0.50 -0.34 0.00 0.08 0.00 0.00 59.36 58.75 1jkj h GLU 138 Cb 0.61 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1jkj h GLU 138 CO 0.04 1.12 -1.86 0.93 -2.18 0.00 0.00 179.01 177.06 1jkj h GLU 139 N 0.38 0.21 -1.70 1.92 5.08 -1.06 -3.42 114.58 116.00 1jkj h GLU 139 Ca -0.02 -0.36 -0.51 0.00 -1.00 0.00 0.00 59.36 57.47 1jkj h GLU 139 Cb 1.17 0.13 -0.35 0.00 0.50 0.00 0.00 28.75 30.20 1jkj h GLU 139 CO 0.12 1.04 -1.02 0.25 -1.00 0.00 0.00 179.01 178.40 1jkj n THR 140 N -3.38 -0.59 -0.25 1.13 -2.24 0.57 -4.98 114.28 104.54 1jkj n THR 140 Ca -0.26 -3.63 0.16 0.00 -2.27 0.00 0.00 64.05 58.04 1jkj n THR 140 Cb 1.05 -1.41 0.46 0.00 -2.10 0.00 0.00 70.33 68.33 1jkj n THR 140 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1jkj h PRO 141 N 3.99 0.50 0.00 -0.78 0.13 -1.51 0.56 132.00 134.88 1jkj h PRO 141 Ca 0.04 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jkj h PRO 141 Cb 0.90 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1jkj h PRO 141 CO 0.44 0.33 0.00 1.12 -0.23 0.00 0.00 178.00 179.66 1jkj h HIS 142 N 0.52 0.00 0.00 1.56 2.07 -1.90 -1.84 115.15 115.56 1jkj h HIS 142 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 1jkj h HIS 142 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 1jkj h HIS 142 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1jkj n LEU 143 N -2.81 0.00 -4.55 6.12 4.77 0.19 -4.66 117.00 116.05 1jkj n LEU 143 Ca -0.01 0.39 -0.37 0.00 -0.03 0.00 0.00 56.01 55.99 1jkj n LEU 143 Cb 0.16 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1jkj n LEU 143 CO 0.20 -0.12 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.30 1jkj s ILE 144 N -2.78 5.00 -0.09 -0.08 1.01 -0.70 -4.45 121.20 119.12 1jkj s ILE 144 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1jkj s ILE 144 Cb 0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1jkj s ILE 144 CO 0.34 0.29 0.09 -1.00 0.00 0.00 0.00 174.94 174.66 1jkj s HIS 145 N 1.64 3.42 0.09 3.97 3.76 0.90 -4.90 115.29 124.17 1jkj s HIS 145 Ca 0.07 0.37 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 1jkj s HIS 145 Cb -0.15 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 1jkj s HIS 145 CO 0.08 0.63 -0.13 0.15 -0.85 0.00 0.00 174.74 174.62 1jkj s LYS 146 N -1.12 0.87 0.00 1.40 1.02 -1.26 -0.51 119.74 120.14 1jkj s LYS 146 Ca 0.16 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1jkj s LYS 146 Cb -0.12 -0.73 -0.00 0.00 -0.52 0.00 0.00 37.83 36.46 1jkj s LYS 146 CO 0.05 0.14 -0.01 0.14 -0.92 0.00 0.00 175.35 174.76 1jkj s VAL 147 N -1.87 0.03 -0.20 3.17 -7.23 -0.23 -4.97 120.40 109.10 1jkj s VAL 147 Ca 0.03 -0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.99 1jkj s VAL 147 Cb -0.06 -0.05 -0.04 0.00 0.56 0.00 0.00 36.38 36.78 1jkj s VAL 147 CO 0.02 -0.06 0.10 0.00 -0.31 0.00 0.00 175.10 174.85 1jkj s ALA 148 N -0.18 3.49 0.19 1.32 0.00 -1.26 -0.33 121.76 124.99 1jkj s ALA 148 Ca -0.02 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 1jkj s ALA 148 Cb -0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 1jkj s ALA 148 CO -0.00 0.07 1.44 -0.51 0.00 0.00 0.00 175.76 176.76 1jkj s LEU 149 N 0.56 4.38 -0.26 0.00 1.43 0.35 -4.95 118.68 120.19 1jkj s LEU 149 Ca 0.05 2.53 -0.24 0.00 -1.03 0.00 0.00 54.13 55.44 1jkj s LEU 149 Cb -0.12 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 1jkj s LEU 149 CO 0.01 -0.69 0.81 -0.62 0.23 0.00 0.00 176.35 176.09 1jkj s ASP 150 N 0.74 6.77 0.46 2.29 -1.08 -1.26 -4.45 116.67 120.14 1jkj s ASP 150 Ca 0.63 0.92 0.19 0.00 -0.52 0.00 0.00 52.55 53.76 1jkj s ASP 150 Cb -0.40 -2.43 1.16 0.00 -1.46 0.00 0.00 42.92 39.79 1jkj s ASP 150 CO 0.36 -0.54 1.95 -0.65 0.52 0.00 0.00 175.17 176.80 1jkj h PRO 151 N 7.82 0.28 0.00 4.34 0.11 -1.92 0.29 132.00 142.92 1jkj h PRO 151 Ca -0.23 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 1jkj h PRO 151 Cb 1.09 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1jkj h PRO 151 CO 0.87 0.18 -0.50 1.25 -0.21 0.00 0.00 178.00 179.60 1jkj h LEU 152 N 0.28 0.00 0.00 2.35 5.85 -2.03 -3.36 115.31 118.41 1jkj h LEU 152 Ca 0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1jkj h LEU 152 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1jkj h LEU 152 CO -0.08 0.50 -0.86 0.35 -0.34 0.00 0.00 178.44 178.01 1jkj n THR 153 N -3.69 0.00 0.00 1.05 -2.24 -0.77 -5.13 114.28 103.50 1jkj n THR 153 Ca -0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1jkj n THR 153 Cb 0.56 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1jkj n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkj n GLY 154 N 1.88 -1.38 3.76 3.38 0.00 0.02 -4.85 105.19 108.00 1jkj n GLY 154 Ca -0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1jkj n GLY 154 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkj s PRO 155 N -1.76 3.26 0.03 1.61 0.04 -1.26 -4.34 135.00 132.58 1jkj s PRO 155 Ca 0.00 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1jkj s PRO 155 Cb 0.00 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1jkj s PRO 155 CO 0.00 -1.03 -0.22 -1.64 0.04 0.00 0.00 177.00 174.15 1jkj s MET 156 N -2.95 1.52 0.47 4.56 -1.94 -1.26 -5.03 119.30 114.67 1jkj s MET 156 Ca 0.71 -0.94 0.22 0.00 -1.71 0.00 0.00 55.69 53.97 1jkj s MET 156 Cb -0.35 -1.62 1.24 0.00 2.01 0.00 0.00 34.83 36.11 1jkj s MET 156 CO 0.41 0.42 1.89 -1.35 -0.01 0.00 0.00 175.02 176.38 1jkj h PRO 157 N 4.98 0.23 -0.08 2.03 0.11 -1.94 -1.01 132.00 136.32 1jkj h PRO 157 Ca -0.43 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1jkj h PRO 157 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1jkj h PRO 157 CO 0.44 0.15 -0.27 0.10 -0.21 0.00 0.00 178.00 178.22 1jkj h TYR 158 N 0.24 0.16 -0.38 0.65 -0.00 -1.98 0.64 116.97 116.29 1jkj h TYR 158 Ca 0.41 -0.03 -0.09 0.00 0.00 0.00 0.00 58.73 59.02 1jkj h TYR 158 Cb 1.25 -0.04 -0.02 0.00 0.00 0.00 0.00 36.73 37.92 1jkj h TYR 158 CO -0.00 0.41 -0.14 1.96 -0.00 0.00 0.00 178.16 180.38 1jkj h GLN 159 N 0.13 0.68 -0.37 0.10 4.20 -1.60 0.43 115.11 118.68 1jkj h GLN 159 Ca 0.02 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.34 1jkj h GLN 159 Cb 0.55 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1jkj h GLN 159 CO 0.04 0.80 -0.41 0.78 -0.67 0.00 0.00 178.83 179.37 1jkj h GLY 160 N 0.97 1.02 1.02 3.46 0.00 -1.25 -2.25 103.07 106.05 1jkj h GLY 160 Ca 0.10 -1.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.27 1jkj h GLY 160 CO 0.04 0.96 -0.11 3.21 0.00 0.00 0.00 176.54 180.64 1jkj h ARG 161 N 0.75 0.86 -0.09 4.80 3.08 -0.59 -0.82 114.38 122.37 1jkj h ARG 161 Ca 0.05 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.81 1jkj h ARG 161 Cb 1.01 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 1jkj h ARG 161 CO 0.10 0.97 -0.31 1.49 -1.07 0.00 0.00 179.97 181.15 1jkj h GLU 162 N 0.70 -0.40 -0.55 0.04 4.81 0.08 0.20 114.58 119.47 1jkj h GLU 162 Ca 0.11 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1jkj h GLU 162 Cb 0.65 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1jkj h GLU 162 CO 0.04 -0.26 0.35 -0.07 -0.73 0.00 0.00 179.01 178.34 1jkj h LEU 163 N -0.41 0.58 -0.31 1.64 3.38 -1.34 -0.69 115.31 118.17 1jkj h LEU 163 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1jkj h LEU 163 Cb 0.54 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1jkj h LEU 163 CO -0.32 0.42 0.05 0.00 0.09 0.00 0.00 178.44 178.67 1jkj h ALA 164 N 1.22 0.32 -0.56 1.53 0.00 -0.02 -1.58 119.26 120.18 1jkj h ALA 164 Ca 0.21 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1jkj h ALA 164 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jkj h ALA 164 CO -0.07 -0.36 -0.00 0.74 0.00 0.00 0.00 179.25 179.55 1jkj h PHE 165 N 0.15 1.08 0.00 0.00 0.04 -0.41 -1.37 116.94 116.44 1jkj h PHE 165 Ca 0.15 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1jkj h PHE 165 Cb 0.17 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1jkj h PHE 165 CO -0.19 0.97 -0.03 0.87 -0.60 0.00 0.00 178.31 179.33 1jkj h LYS 166 N 0.87 0.00 -0.15 1.51 1.57 -0.65 0.37 116.57 120.09 1jkj h LYS 166 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jkj h LYS 166 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1jkj h LYS 166 CO 0.03 0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1jkj n LEU 167 N -3.56 1.37 -1.41 2.94 4.77 -0.64 -4.92 117.00 115.55 1jkj n LEU 167 Ca -0.02 -0.59 -0.14 0.00 -0.03 0.00 0.00 56.01 55.23 1jkj n LEU 167 Cb 0.14 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1jkj n LEU 167 CO 0.26 0.29 -0.16 0.61 -1.33 0.00 0.00 177.39 177.06 1jkj n GLY 168 N 1.05 0.30 3.85 -0.72 0.00 0.13 -4.95 105.19 104.86 1jkj n GLY 168 Ca 0.15 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1jkj n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 169 N -3.70 3.44 0.18 0.99 1.43 -0.60 -5.02 118.68 115.40 1jkj s LEU 169 Ca 0.00 1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.49 1jkj s LEU 169 Cb 0.00 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1jkj s LEU 169 CO 0.00 -0.74 0.39 -1.83 0.23 0.00 0.00 176.35 174.40 1jkj s GLU 170 N -4.56 1.25 4.40 1.70 -1.05 -1.26 -4.63 118.70 114.56 1jkj s GLU 170 Ca 0.57 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1jkj s GLU 170 Cb -0.11 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1jkj s GLU 170 CO 0.41 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.54 1jkj n GLY 171 N -0.27 1.24 0.32 -3.83 0.00 -1.26 -2.71 105.19 98.68 1jkj n GLY 171 Ca -0.09 -0.68 0.20 0.00 0.00 0.00 0.00 46.02 45.45 1jkj n GLY 171 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jkj h LYS 172 N 0.00 0.00 0.00 1.61 2.10 -1.99 -1.55 116.57 116.73 1jkj h LYS 172 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1jkj h LYS 172 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1jkj h LYS 172 CO 0.00 0.01 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.19 1jkj h LEU 173 N 0.00 0.00 -0.32 7.07 3.38 -1.83 -0.19 115.31 123.42 1jkj h LEU 173 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1jkj h LEU 173 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jkj h LEU 173 CO 0.00 0.20 -0.08 0.58 0.09 0.00 0.00 178.44 179.23 1jkj h VAL 174 N 0.00 1.28 -0.52 1.22 2.07 -1.40 0.10 116.25 119.01 1jkj h VAL 174 Ca -0.00 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.29 1jkj h VAL 174 Cb 0.41 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1jkj h VAL 174 CO 0.03 0.37 -0.06 1.56 0.02 0.00 0.00 177.57 179.48 1jkj h GLN 175 N 0.40 0.95 -0.59 1.57 7.50 -1.51 0.11 115.11 123.55 1jkj h GLN 175 Ca 0.08 -0.34 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 1jkj h GLN 175 Cb 0.58 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 1jkj h GLN 175 CO 0.03 1.00 0.29 1.96 -1.50 0.00 0.00 178.83 180.62 1jkj h GLN 176 N 0.82 0.85 -0.46 1.46 4.20 -0.96 -0.21 115.11 120.81 1jkj h GLN 176 Ca 0.14 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1jkj h GLN 176 Cb 0.61 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1jkj h GLN 176 CO 0.04 0.68 -0.08 0.35 -0.67 0.00 0.00 178.83 179.15 1jkj h PHE 177 N 0.81 0.97 -0.83 2.96 3.04 -0.50 -1.25 116.94 122.13 1jkj h PHE 177 Ca 0.21 -0.20 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1jkj h PHE 177 Cb 0.10 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.33 1jkj h PHE 177 CO -0.00 0.95 0.52 1.15 -2.02 0.00 0.00 178.31 178.90 1jkj h THR 178 N 0.71 1.23 -0.46 4.41 2.02 -0.46 0.12 112.91 120.48 1jkj h THR 178 Ca 0.12 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1jkj h THR 178 Cb 0.62 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1jkj h THR 178 CO 0.04 0.23 0.28 0.50 0.37 0.00 0.00 175.52 176.94 1jkj h LYS 179 N 1.14 0.63 -0.59 6.66 3.64 -0.77 0.21 116.57 127.49 1jkj h LYS 179 Ca 0.30 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1jkj h LYS 179 Cb -0.07 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1jkj h LYS 179 CO -0.06 0.46 0.07 0.82 -2.27 0.00 0.00 179.45 178.47 1jkj h ILE 180 N 0.62 1.26 0.33 2.00 2.04 -0.75 0.03 117.51 123.04 1jkj h ILE 180 Ca 0.17 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1jkj h ILE 180 Cb -0.01 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1jkj h ILE 180 CO -0.03 0.37 -0.16 0.15 0.00 0.00 0.00 178.15 178.49 1jkj h PHE 181 N 0.89 -0.41 -0.95 1.37 3.57 -0.07 0.44 116.94 121.79 1jkj h PHE 181 Ca 0.18 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1jkj h PHE 181 Cb 0.45 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1jkj h PHE 181 CO 0.03 -0.25 0.62 0.52 -2.23 0.00 0.00 178.31 177.01 1jkj h MET 182 N -0.45 1.11 0.01 1.11 2.86 -0.37 0.98 114.93 120.18 1jkj h MET 182 Ca -0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1jkj h MET 182 Cb 0.34 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1jkj h MET 182 CO 0.07 0.74 -0.00 0.78 1.06 0.00 0.00 176.91 179.56 1jkj h GLY 183 N 1.15 -0.01 1.01 8.32 0.00 -0.72 0.01 103.07 112.83 1jkj h GLY 183 Ca 0.39 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1jkj h GLY 183 CO -0.13 -0.00 0.56 1.41 0.00 0.00 0.00 176.54 178.37 1jkj h LEU 184 N -0.47 0.98 -0.97 3.11 3.38 -0.66 0.29 115.31 120.98 1jkj h LEU 184 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1jkj h LEU 184 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1jkj h LEU 184 CO 0.00 0.71 0.09 0.00 0.09 0.00 0.00 178.44 179.33 1jkj h ALA 185 N 1.31 1.16 -0.24 1.53 0.00 -0.78 0.16 119.26 122.40 1jkj h ALA 185 Ca 0.31 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jkj h ALA 185 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1jkj h ALA 185 CO -0.07 0.56 -0.13 1.15 0.00 0.00 0.00 179.25 180.77 1jkj h THR 186 N 0.80 1.30 -0.60 0.00 2.02 0.13 -2.22 112.91 114.34 1jkj h THR 186 Ca 0.17 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1jkj h THR 186 Cb 0.36 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1jkj h THR 186 CO 0.01 0.38 0.39 0.40 0.37 0.00 0.00 175.52 177.07 1jkj h ILE 187 N 0.22 1.14 -0.34 3.11 2.04 -0.04 0.19 117.51 123.83 1jkj h ILE 187 Ca 0.05 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1jkj h ILE 187 Cb 0.64 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1jkj h ILE 187 CO 0.04 0.15 -0.11 0.15 0.00 0.00 0.00 178.15 178.38 1jkj h PHE 188 N 0.80 -0.24 -0.04 1.37 3.04 -0.52 0.24 116.94 121.58 1jkj h PHE 188 Ca 0.22 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.17 1jkj h PHE 188 Cb -0.07 0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1jkj h PHE 188 CO -0.04 -0.17 -0.13 -0.07 -2.02 0.00 0.00 178.31 175.88 1jkj h LEU 189 N -0.03 0.18 -0.80 0.59 3.38 -0.94 -1.66 115.31 116.04 1jkj h LEU 189 Ca 0.17 -0.63 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1jkj h LEU 189 Cb 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jkj h LEU 189 CO -0.37 0.78 0.01 -0.33 0.09 0.00 0.00 178.44 178.62 1jkj h GLU 190 N -0.40 0.92 -0.52 1.13 5.08 -0.46 -3.02 114.58 117.32 1jkj h GLU 190 Ca -0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jkj h GLU 190 Cb 0.76 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1jkj h GLU 190 CO 0.03 0.91 0.00 0.54 -1.00 0.00 0.00 179.01 179.48 1jkj n ARG 191 N -4.20 2.28 -3.65 2.33 5.12 0.81 -4.95 116.66 114.41 1jkj n ARG 191 Ca 0.03 -1.99 -0.25 0.00 -1.93 0.00 0.00 57.85 53.72 1jkj n ARG 191 Cb 0.32 -1.44 0.04 0.00 -1.16 0.00 0.00 32.46 30.21 1jkj n ARG 191 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1jkj n ASP 192 N 1.13 -3.55 -4.87 0.55 8.00 -0.98 -4.71 116.55 112.12 1jkj n ASP 192 Ca 0.19 -0.90 -0.31 0.00 0.71 0.00 0.00 54.79 54.48 1jkj n ASP 192 Cb 0.48 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1jkj n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jkj s LEU 193 N -6.43 3.33 -0.10 0.64 1.43 -0.66 -0.42 118.68 116.48 1jkj s LEU 193 Ca 0.26 1.36 0.09 0.00 -1.03 0.00 0.00 54.13 54.80 1jkj s LEU 193 Cb -0.08 -4.38 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 1jkj s LEU 193 CO 0.83 -0.80 0.03 0.00 0.23 0.00 0.00 176.35 176.64 1jkj n ALA 194 N -2.55 1.76 -3.11 4.21 0.00 0.24 -4.48 120.51 116.57 1jkj n ALA 194 Ca 0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1jkj n ALA 194 Cb 0.54 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1jkj n ALA 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jkj s LEU 195 N -4.75 1.17 -0.01 0.00 0.20 -0.26 -3.68 118.68 111.35 1jkj s LEU 195 Ca -0.05 0.36 0.03 0.00 0.69 0.00 0.00 54.13 55.17 1jkj s LEU 195 Cb 0.03 0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 46.57 1jkj s LEU 195 CO 0.40 -0.13 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.58 1jkj s ILE 196 N -0.12 0.92 -0.21 6.68 1.01 0.17 -0.87 121.20 128.77 1jkj s ILE 196 Ca -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1jkj s ILE 196 Cb -0.02 -0.78 0.10 0.00 0.01 0.00 0.00 42.46 41.77 1jkj s ILE 196 CO 0.01 0.26 0.35 -0.70 0.00 0.00 0.00 174.94 174.86 1jkj s GLU 197 N -0.19 0.29 -0.44 2.79 2.12 0.75 -0.80 118.70 123.22 1jkj s GLU 197 Ca 0.03 0.68 -0.08 0.00 0.36 0.00 0.00 54.97 55.96 1jkj s GLU 197 Cb -0.05 -0.25 0.10 0.00 0.26 0.00 0.00 34.13 34.19 1jkj s GLU 197 CO -0.00 -0.47 0.29 0.42 -0.54 0.00 0.00 175.26 174.96 1jkj s ILE 198 N 2.52 4.05 -0.22 -3.70 -1.09 0.93 -0.45 121.20 123.23 1jkj s ILE 198 Ca 0.06 -1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 56.75 1jkj s ILE 198 Cb -0.14 -3.61 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 1jkj s ILE 198 CO -0.13 -0.66 0.08 0.21 -1.23 0.00 0.00 174.94 173.21 1jkj s ASN 199 N 2.33 2.98 0.20 3.58 2.47 -1.26 -2.32 114.94 122.92 1jkj s ASN 199 Ca 0.05 -0.95 -0.08 0.00 0.42 0.00 0.00 52.86 52.30 1jkj s ASN 199 Cb -0.24 -0.44 -0.07 0.00 -1.45 0.00 0.00 41.25 39.05 1jkj s ASN 199 CO -0.00 -0.37 0.48 -2.16 -3.72 0.00 0.00 177.10 171.33 1jkj s PRO 200 N 1.99 3.73 -0.39 0.43 0.04 -1.26 -4.46 135.00 135.08 1jkj s PRO 200 Ca 0.04 0.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.03 1jkj s PRO 200 Cb -0.16 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1jkj s PRO 200 CO -0.17 0.37 0.53 -1.17 0.04 0.00 0.00 177.00 176.60 1jkj s LEU 201 N -2.77 4.49 -0.03 -3.56 2.96 0.11 -2.30 118.68 117.59 1jkj s LEU 201 Ca 0.45 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 1jkj s LEU 201 Cb -0.12 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1jkj s LEU 201 CO 0.23 -0.57 0.31 -0.69 -1.32 0.00 0.00 176.35 174.30 1jkj s VAL 202 N 2.44 5.21 -0.27 1.68 1.01 0.13 0.83 120.40 131.44 1jkj s VAL 202 Ca 0.18 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 1jkj s VAL 202 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1jkj s VAL 202 CO 0.15 0.53 0.18 -0.63 0.00 0.00 0.00 175.10 175.33 1jkj s ILE 203 N -1.13 5.26 0.69 2.22 1.01 0.59 -1.14 121.20 128.71 1jkj s ILE 203 Ca 0.23 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 1jkj s ILE 203 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1jkj s ILE 203 CO 0.11 0.28 1.08 0.42 0.00 0.00 0.00 174.94 176.84 1jkj s THR 204 N 1.57 3.77 0.47 2.92 -4.23 0.58 -0.41 115.64 120.30 1jkj s THR 204 Ca 0.07 0.57 0.13 0.00 -1.18 0.00 0.00 61.69 61.28 1jkj s THR 204 Cb -0.15 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.38 1jkj s THR 204 CO 0.09 -0.75 2.08 0.11 -0.54 0.00 0.00 174.62 175.61 1jkj h LYS 205 N -0.59 0.16 0.00 3.99 1.79 -1.04 0.30 116.57 121.18 1jkj h LYS 205 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1jkj h LYS 205 Cb 1.24 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jkj h LYS 205 CO 0.63 0.16 0.00 1.04 -1.08 0.00 0.00 179.45 180.20 1jkj n GLN 206 N -4.46 0.76 -1.31 3.15 3.00 -1.26 -4.88 117.38 112.38 1jkj n GLN 206 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1jkj n GLN 206 Cb 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.86 1jkj n GLN 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jkj n GLY 207 N 0.61 0.84 3.27 1.08 0.00 0.11 -5.09 105.19 106.01 1jkj n GLY 207 Ca 0.18 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1jkj n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkj s ASP 208 N -2.69 2.28 0.18 1.61 1.01 -1.25 -4.81 116.67 113.00 1jkj s ASP 208 Ca 0.00 -0.79 -0.27 0.00 0.71 0.00 0.00 52.55 52.20 1jkj s ASP 208 Cb 0.00 -0.11 -0.08 0.00 1.01 0.00 0.00 42.92 43.74 1jkj s ASP 208 CO 0.00 -0.07 0.82 -0.76 0.21 0.00 0.00 175.17 175.38 1jkj s LEU 209 N -2.36 4.61 -0.11 1.23 1.43 -1.26 -0.31 118.68 121.91 1jkj s LEU 209 Ca 0.10 1.73 -0.09 0.00 -1.03 0.00 0.00 54.13 54.84 1jkj s LEU 209 Cb -0.06 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.80 1jkj s LEU 209 CO 0.04 0.19 0.28 -0.51 0.23 0.00 0.00 176.35 176.59 1jkj s ILE 210 N -1.13 -0.00 -0.51 -0.59 2.07 -0.29 -4.80 121.20 115.95 1jkj s ILE 210 Ca 0.37 0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.39 1jkj s ILE 210 Cb -0.24 -0.40 0.04 0.00 0.13 0.00 0.00 42.46 41.99 1jkj s ILE 210 CO 0.28 0.01 0.89 0.00 -1.91 0.00 0.00 174.94 174.21 1jkj h LEU 212 N 10.66 0.00 -8.50 0.00 5.85 -1.77 -3.35 115.31 118.21 1jkj h LEU 212 Ca -0.25 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.24 1jkj h LEU 212 Cb 1.08 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.96 1jkj h LEU 212 CO 1.04 0.91 -0.66 -0.62 -0.34 0.00 0.00 178.44 178.77 1jkj s ASP 213 N -6.45 0.79 -0.23 1.25 -1.08 -1.25 -4.92 116.67 104.79 1jkj s ASP 213 Ca -0.00 -1.15 -0.10 0.00 -0.52 0.00 0.00 52.55 50.78 1jkj s ASP 213 Cb 0.09 0.19 0.09 0.00 -1.46 0.00 0.00 42.92 41.83 1jkj s ASP 213 CO 0.81 -0.62 0.51 -0.83 0.52 0.00 0.00 175.17 175.56 1jkj s GLY 214 N -3.08 -0.48 -0.15 2.66 0.00 -1.26 -4.10 107.32 100.91 1jkj s GLY 214 Ca 0.21 1.85 0.01 0.00 0.00 0.00 0.00 44.72 46.78 1jkj s GLY 214 CO 0.01 2.40 -0.15 1.25 0.00 0.00 0.00 173.10 176.61 1jkj s LYS 215 N 2.26 2.35 -0.01 2.90 2.20 0.40 -4.20 119.74 125.64 1jkj s LYS 215 Ca -0.06 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1jkj s LYS 215 Cb -0.10 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 1jkj s LYS 215 CO -0.15 -0.21 -0.18 -0.51 -0.36 0.00 0.00 175.35 173.94 1jkj s LEU 216 N 1.40 2.05 -0.07 5.43 1.43 -1.26 -0.18 118.68 127.48 1jkj s LEU 216 Ca 0.03 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1jkj s LEU 216 Cb -0.13 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1jkj s LEU 216 CO -0.10 0.21 -0.14 -0.83 0.23 0.00 0.00 176.35 175.72 1jkj s GLY 217 N -0.53 0.88 0.08 -3.19 0.00 -0.05 -2.16 107.32 102.35 1jkj s GLY 217 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 44.72 44.25 1jkj s GLY 217 CO -0.00 0.05 0.29 0.00 0.00 0.00 0.00 173.10 173.44 1jkj s ALA 218 N 0.62 3.88 -0.41 3.20 0.00 0.99 0.81 121.76 130.85 1jkj s ALA 218 Ca -0.15 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1jkj s ALA 218 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1jkj s ALA 218 CO 0.04 0.72 1.45 0.34 0.00 0.00 0.00 175.76 178.32 1jkj s ASP 219 N -2.30 6.28 0.48 0.00 -1.08 0.44 -0.42 116.67 120.07 1jkj s ASP 219 Ca 0.36 0.85 0.21 0.00 -0.52 0.00 0.00 52.55 53.45 1jkj s ASP 219 Cb -0.13 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.03 1jkj s ASP 219 CO 0.24 -1.48 1.95 1.23 0.52 0.00 0.00 175.17 177.63 1jkj h GLY 220 N 12.40 0.36 2.00 2.66 0.00 -1.92 0.13 103.07 118.70 1jkj h GLY 220 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1jkj h GLY 220 CO 1.09 0.03 0.00 0.70 0.00 0.00 0.00 176.54 178.35 1jkj n ASN 221 N -4.42 0.39 -0.89 0.19 3.02 -1.26 -2.39 115.26 109.90 1jkj n ASN 221 Ca 0.13 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.38 1jkj n ASN 221 Cb 0.61 -0.67 0.10 0.00 -0.61 0.00 0.00 39.78 39.20 1jkj n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkj n ALA 222 N -1.66 2.46 0.01 5.41 0.00 0.03 -4.48 120.51 122.28 1jkj n ALA 222 Ca 0.03 -0.70 0.19 0.00 0.00 0.00 0.00 53.44 52.97 1jkj n ALA 222 Cb 0.22 -0.74 0.68 0.00 0.00 0.00 0.00 19.45 19.61 1jkj n ALA 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jkj h LEU 223 N 4.29 0.01 -2.46 0.00 3.38 -1.47 0.66 115.31 119.72 1jkj h LEU 223 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jkj h LEU 223 Cb 0.92 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jkj h LEU 223 CO 0.00 0.01 0.07 2.19 0.09 0.00 0.00 178.44 180.79 1jkj h PHE 224 N 0.01 0.00 -0.18 1.13 -5.15 -1.82 0.18 116.94 111.11 1jkj h PHE 224 Ca 0.24 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.00 1jkj h PHE 224 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.12 1jkj h PHE 224 CO -0.00 0.00 -0.02 2.89 -2.00 0.00 0.00 178.31 179.18 1jkj n ARG 225 N -3.70 2.26 -3.25 6.09 1.85 0.21 -4.72 116.66 115.40 1jkj n ARG 225 Ca -0.02 -2.80 -0.25 0.00 -1.00 0.00 0.00 57.85 53.78 1jkj n ARG 225 Cb 0.15 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 29.77 1jkj n ARG 225 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1jkj n GLN 226 N -0.88 1.78 -0.32 2.89 1.13 0.63 -4.97 117.38 117.64 1jkj n GLN 226 Ca 0.21 -4.02 0.06 0.00 -1.94 0.00 0.00 57.00 51.30 1jkj n GLN 226 Cb 0.82 -1.81 0.22 0.00 0.11 0.00 0.00 30.24 29.58 1jkj n GLN 226 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1jkj h PRO 227 N 3.84 0.80 -0.47 -1.09 0.13 -1.85 0.51 132.00 133.87 1jkj h PRO 227 Ca 0.13 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1jkj h PRO 227 Cb 0.76 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1jkj h PRO 227 CO 0.66 0.53 0.23 -0.44 -0.23 0.00 0.00 178.00 178.76 1jkj h ASP 228 N 0.83 0.62 -0.27 1.44 3.32 -1.93 -2.17 116.42 118.26 1jkj h ASP 228 Ca 0.46 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1jkj h ASP 228 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1jkj h ASP 228 CO -0.29 0.56 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.68 1jkj h LEU 229 N 0.62 0.60 -0.65 1.55 3.38 -1.81 -2.70 115.31 116.29 1jkj h LEU 229 Ca 0.16 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jkj h LEU 229 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1jkj h LEU 229 CO -0.02 0.70 0.39 -0.09 0.09 0.00 0.00 178.44 179.51 1jkj h ARG 230 N 0.58 0.73 0.00 1.13 2.43 -0.31 -0.66 114.38 118.28 1jkj h ARG 230 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1jkj h ARG 230 Cb 0.44 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1jkj h ARG 230 CO 0.02 0.48 -0.04 0.93 -1.51 0.00 0.00 179.97 179.86 1jkj h GLU 231 N 0.75 0.00 -0.00 0.20 4.39 -1.10 -3.08 114.58 115.75 1jkj h GLU 231 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1jkj h GLU 231 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1jkj h GLU 231 CO -0.13 0.04 -0.06 -1.33 -1.16 0.00 0.00 179.01 176.37 1jkj n MET 232 N -3.18 0.20 -1.68 2.33 2.81 -0.26 -4.88 117.12 112.45 1jkj n MET 232 Ca -0.00 -0.02 -0.44 0.00 -1.81 0.00 0.00 57.70 55.42 1jkj n MET 232 Cb 0.27 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 1jkj n MET 232 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1jkj n ARG 233 N -1.38 2.13 -3.98 0.03 0.63 -1.17 -4.89 116.66 108.03 1jkj n ARG 233 Ca 0.10 0.76 -0.31 0.00 -0.92 0.00 0.00 57.85 57.47 1jkj n ARG 233 Cb 0.30 -2.43 -0.14 0.00 0.45 0.00 0.00 32.46 30.64 1jkj n ARG 233 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jkj s ASP 234 N 0.31 4.70 0.43 6.15 2.15 -1.26 -4.98 116.67 124.16 1jkj s ASP 234 Ca 0.67 -2.37 0.10 0.00 0.43 0.00 0.00 52.55 51.38 1jkj s ASP 234 Cb -0.63 -1.65 0.93 0.00 -0.30 0.00 0.00 42.92 41.27 1jkj s ASP 234 CO 0.50 -0.35 2.04 1.56 -0.17 0.00 0.00 175.17 178.74 1jkj h GLN 235 N 7.35 0.34 -0.15 4.34 4.20 -1.94 -2.50 115.11 126.75 1jkj h GLN 235 Ca -0.05 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1jkj h GLN 235 Cb 0.99 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1jkj h GLN 235 CO 0.57 0.28 0.21 0.66 -0.67 0.00 0.00 178.83 179.89 1jkj h SER 236 N 0.34 0.00 0.88 1.46 4.64 -1.98 0.23 113.55 119.12 1jkj h SER 236 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1jkj h SER 236 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jkj h SER 236 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1jkj n GLN 237 N -3.58 0.11 -4.49 4.77 1.13 -0.94 -4.50 117.38 109.88 1jkj n GLN 237 Ca 0.01 0.23 -0.24 0.00 -1.94 0.00 0.00 57.00 55.06 1jkj n GLN 237 Cb 0.32 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 28.90 1jkj n GLN 237 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1jkj s GLU 238 N -3.11 1.70 0.01 -1.09 0.41 0.07 -4.93 118.70 111.76 1jkj s GLU 238 Ca 0.09 -1.85 -0.34 0.00 -0.41 0.00 0.00 54.97 52.46 1jkj s GLU 238 Cb 0.12 -1.56 -0.12 0.00 -1.78 0.00 0.00 34.13 30.79 1jkj s GLU 238 CO 0.43 0.16 1.77 -3.47 -0.49 0.00 0.00 175.26 173.66 1jkj n ASP 239 N -0.68 3.33 0.33 -0.19 -0.08 -1.26 -4.81 116.55 113.19 1jkj n ASP 239 Ca -0.05 1.01 0.21 0.00 -1.51 0.00 0.00 54.79 54.45 1jkj n ASP 239 Cb 0.63 -1.40 1.14 0.00 2.34 0.00 0.00 41.12 43.83 1jkj n ASP 239 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jkj h PRO 240 N 7.99 0.00 0.00 -0.67 0.13 -1.93 -1.71 132.00 135.80 1jkj h PRO 240 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1jkj h PRO 240 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1jkj h PRO 240 CO 0.93 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.49 1jkj h ARG 241 N 0.00 0.00 0.14 0.86 3.08 -1.98 -2.03 114.38 114.45 1jkj h ARG 241 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1jkj h ARG 241 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jkj h ARG 241 CO 0.00 0.20 -0.07 0.93 -1.07 0.00 0.00 179.97 179.97 1jkj h GLU 242 N 0.00 -0.18 -0.81 0.04 5.08 -1.57 0.20 114.58 117.33 1jkj h GLU 242 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1jkj h GLU 242 Cb 0.52 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1jkj h GLU 242 CO 0.03 0.11 0.37 0.00 -1.00 0.00 0.00 179.01 178.52 1jkj h ALA 243 N 0.33 1.13 -0.06 3.43 0.00 -1.67 0.14 119.26 122.56 1jkj h ALA 243 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jkj h ALA 243 Cb 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jkj h ALA 243 CO 0.03 0.65 -0.07 1.96 0.00 0.00 0.00 179.25 181.82 1jkj h GLN 244 N 1.16 -0.09 -0.08 0.00 4.20 -1.08 -1.21 115.11 118.02 1jkj h GLN 244 Ca 0.28 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.02 1jkj h GLN 244 Cb 0.14 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1jkj h GLN 244 CO -0.03 -0.06 -0.10 0.00 -0.67 0.00 0.00 178.83 177.97 1jkj h ALA 245 N 0.96 -0.04 -1.00 3.87 0.00 -0.08 -2.53 119.26 120.44 1jkj h ALA 245 Ca 0.05 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1jkj h ALA 245 Cb 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1jkj h ALA 245 CO -0.12 -0.57 0.62 0.00 0.00 0.00 0.00 179.25 179.18 1jkj h ALA 246 N 0.91 1.61 0.00 0.00 0.00 -0.31 0.55 119.26 122.02 1jkj h ALA 246 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jkj h ALA 246 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jkj h ALA 246 CO -0.16 0.08 0.00 0.94 0.00 0.00 0.00 179.25 180.12 1jkj n GLN 247 N -4.68 0.05 -0.24 0.00 7.27 -0.49 -0.95 117.38 118.34 1jkj n GLN 247 Ca 0.21 0.22 0.07 0.00 0.07 0.00 0.00 57.00 57.57 1jkj n GLN 247 Cb 0.46 -1.58 0.20 0.00 2.41 0.00 0.00 30.24 31.73 1jkj n GLN 247 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1jkj n TRP 248 N -1.66 0.62 -3.46 3.69 7.02 0.18 -4.97 117.44 118.86 1jkj n TRP 248 Ca 0.04 -0.52 -0.20 0.00 -1.02 0.00 0.00 57.50 55.81 1jkj n TRP 248 Cb 0.23 -0.04 0.08 0.00 -2.42 0.00 0.00 31.31 29.16 1jkj n TRP 248 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1jkj n GLU 249 N 0.74 -7.02 -4.51 -0.99 1.02 -0.12 -4.99 120.64 104.77 1jkj n GLU 249 Ca 0.15 0.80 -0.22 0.00 -0.02 0.00 0.00 57.16 57.87 1jkj n GLU 249 Cb 0.50 -5.74 -0.14 0.00 -0.02 0.00 0.00 31.44 26.04 1jkj n GLU 249 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jkj s LEU 250 N -6.62 2.15 -0.31 -4.62 1.43 -0.33 -4.60 118.68 105.78 1jkj s LEU 250 Ca 0.29 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1jkj s LEU 250 Cb -0.13 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1jkj s LEU 250 CO 0.70 0.10 0.08 0.20 0.23 0.00 0.00 176.35 177.66 1jkj s ASN 251 N -1.04 5.12 -0.05 2.29 0.01 -0.12 -2.43 114.94 118.73 1jkj s ASN 251 Ca 0.04 -0.89 0.06 0.00 -0.71 0.00 0.00 52.86 51.37 1jkj s ASN 251 Cb -0.08 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 1jkj s ASN 251 CO 0.01 -0.24 -0.25 -0.47 -1.51 0.00 0.00 177.10 174.65 1jkj s TYR 252 N 1.45 2.36 -0.06 2.20 5.04 -1.26 -0.39 117.35 126.68 1jkj s TYR 252 Ca 0.01 -0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 1jkj s TYR 252 Cb -0.18 -1.54 0.04 0.00 0.35 0.00 0.00 41.96 40.62 1jkj s TYR 252 CO 0.02 -0.17 0.06 0.08 -1.34 0.00 0.00 175.55 174.20 1jkj s VAL 253 N -0.26 -0.10 0.45 3.14 1.01 0.14 -4.66 120.40 120.12 1jkj s VAL 253 Ca -0.00 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1jkj s VAL 253 Cb -0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1jkj s VAL 253 CO 0.02 0.10 1.03 0.00 0.00 0.00 0.00 175.10 176.26 1jkj s ALA 254 N 2.16 2.96 0.42 5.51 0.00 -1.26 -0.39 121.76 131.16 1jkj s ALA 254 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1jkj s ALA 254 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1jkj s ALA 254 CO -0.04 -0.22 0.15 1.28 0.00 0.00 0.00 175.76 176.93 1jkj n LEU 255 N -0.63 0.00 -0.02 0.00 4.32 0.26 -4.88 117.00 116.04 1jkj n LEU 255 Ca 0.08 -3.21 -0.13 0.00 -0.02 0.00 0.00 56.01 52.72 1jkj n LEU 255 Cb 0.52 1.08 -0.10 0.00 -1.62 0.00 0.00 43.42 43.30 1jkj n LEU 255 CO 0.41 -0.50 0.60 -2.24 -1.22 0.00 0.00 177.39 174.44 1jkj h ASP 256 N 1.69 0.02 0.00 -1.43 2.03 -1.78 -3.43 116.42 113.52 1jkj h ASP 256 Ca -0.32 -0.56 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 1jkj h ASP 256 Cb 1.25 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1jkj h ASP 256 CO 0.51 0.58 0.00 0.61 -1.03 0.00 0.00 179.24 179.91 1jkj n GLY 257 N 0.42 0.00 0.00 7.15 0.00 -1.01 -4.84 105.19 106.90 1jkj n GLY 257 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1jkj n GLY 257 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jkj n ASN 258 N 0.00 0.38 -4.25 1.61 2.04 0.23 -4.30 115.26 110.96 1jkj n ASN 258 Ca 0.00 -1.11 -0.38 0.00 -0.44 0.00 0.00 54.58 52.65 1jkj n ASN 258 Cb 0.00 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.13 1jkj n ASN 258 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1jkj s ILE 259 N -0.11 3.79 0.32 1.53 1.01 -0.55 -0.60 121.20 126.59 1jkj s ILE 259 Ca 0.00 -1.27 -0.28 0.00 0.00 0.00 0.00 60.65 59.09 1jkj s ILE 259 Cb 0.00 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 1jkj s ILE 259 CO 0.00 -0.28 1.18 -0.83 0.00 0.00 0.00 174.94 175.00 1jkj s GLY 260 N 1.57 3.00 -0.11 6.18 0.00 0.57 -0.03 107.32 118.50 1jkj s GLY 260 Ca -0.00 1.02 0.02 0.00 0.00 0.00 0.00 44.72 45.77 1jkj s GLY 260 CO 0.02 1.62 -0.18 0.00 0.00 0.00 0.00 173.10 174.56 1jkj s MET 262 N 0.80 2.03 0.08 0.00 -2.45 0.88 -3.17 119.30 117.47 1jkj s MET 262 Ca -0.09 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 53.35 1jkj s MET 262 Cb -0.16 -2.58 -0.04 0.00 1.25 0.00 0.00 34.83 33.30 1jkj s MET 262 CO 0.01 -0.49 -0.06 0.08 1.05 0.00 0.00 175.02 175.60 1jkj s VAL 263 N 1.32 0.55 -0.25 10.11 1.01 -0.74 -0.36 120.40 132.04 1jkj s VAL 263 Ca -0.04 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.08 1jkj s VAL 263 Cb -0.18 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1jkj s VAL 263 CO -0.07 -0.84 0.05 0.54 0.00 0.00 0.00 175.10 174.78 1jkj s ASN 264 N -2.82 4.97 0.00 3.32 4.22 -1.20 0.11 114.94 123.54 1jkj s ASN 264 Ca 0.08 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1jkj s ASN 264 Cb 0.04 -1.88 0.00 0.00 1.28 0.00 0.00 41.25 40.69 1jkj s ASN 264 CO -0.05 -0.06 0.00 0.61 -2.04 0.00 0.00 177.10 175.56 1jkj n GLY 265 N 4.89 3.03 0.13 0.45 0.00 -1.26 -4.65 105.19 107.78 1jkj n GLY 265 Ca -0.16 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1jkj n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj h ALA 266 N 0.00 0.17 -0.30 4.61 0.00 -1.95 0.69 119.26 122.47 1jkj h ALA 266 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1jkj h ALA 266 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jkj h ALA 266 CO 0.00 0.09 0.10 0.78 0.00 0.00 0.00 179.25 180.23 1jkj h GLY 267 N -0.12 0.50 1.04 0.00 0.00 -1.99 0.10 103.07 102.60 1jkj h GLY 267 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1jkj h GLY 267 CO 0.04 0.27 0.28 -2.00 0.00 0.00 0.00 176.54 175.13 1jkj h LEU 268 N 0.33 1.05 0.01 3.11 5.85 -1.83 0.12 115.31 123.95 1jkj h LEU 268 Ca 0.10 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1jkj h LEU 268 Cb 0.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1jkj h LEU 268 CO -0.01 0.95 -0.13 0.00 -0.34 0.00 0.00 178.44 178.91 1jkj h ALA 269 N 1.14 -0.15 -0.45 1.25 0.00 -0.47 0.49 119.26 121.07 1jkj h ALA 269 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1jkj h ALA 269 Cb 0.24 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jkj h ALA 269 CO -0.02 -0.62 0.00 0.52 0.00 0.00 0.00 179.25 179.13 1jkj h MET 270 N -0.22 0.74 -0.15 0.00 2.86 -0.65 -0.04 114.93 117.47 1jkj h MET 270 Ca 0.04 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1jkj h MET 270 Cb 0.27 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1jkj h MET 270 CO -0.12 0.75 -0.36 0.78 1.06 0.00 0.00 176.91 179.01 1jkj h GLY 271 N 0.95 0.35 0.81 8.32 0.00 -0.18 -0.85 103.07 112.47 1jkj h GLY 271 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1jkj h GLY 271 CO 0.02 0.29 -0.14 -0.84 0.00 0.00 0.00 176.54 175.87 1jkj h THR 272 N 0.27 1.32 -0.93 4.70 2.02 0.59 0.14 112.91 121.02 1jkj h THR 272 Ca 0.03 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1jkj h THR 272 Cb 0.77 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 1jkj h THR 272 CO 0.06 0.38 0.61 0.24 0.37 0.00 0.00 175.52 177.18 1jkj h MET 273 N 0.12 1.16 -0.45 6.66 2.86 -0.73 -1.32 114.93 123.23 1jkj h MET 273 Ca 0.04 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1jkj h MET 273 Cb 0.65 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1jkj h MET 273 CO 0.04 0.77 -0.02 -0.44 1.06 0.00 0.00 176.91 178.32 1jkj h ASP 274 N 1.20 0.80 -0.06 1.22 5.19 -0.80 -1.04 116.42 122.92 1jkj h ASP 274 Ca 0.37 -0.32 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 1jkj h ASP 274 Cb -0.03 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 1jkj h ASP 274 CO -0.11 0.92 -0.14 -0.29 -3.12 0.00 0.00 179.24 176.50 1jkj h ILE 275 N 0.65 1.22 -0.46 0.35 2.10 -0.29 0.79 117.51 121.88 1jkj h ILE 275 Ca 0.12 -0.97 -0.09 0.00 1.08 0.00 0.00 64.86 65.01 1jkj h ILE 275 Cb 0.53 1.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.44 1jkj h ILE 275 CO 0.03 0.31 -0.06 0.58 -1.08 0.00 0.00 178.15 177.92 1jkj h VAL 276 N 0.36 1.27 -0.49 2.19 2.07 -0.97 -2.43 116.25 118.25 1jkj h VAL 276 Ca 0.07 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1jkj h VAL 276 Cb 0.47 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1jkj h VAL 276 CO 0.03 0.40 -0.03 0.50 0.02 0.00 0.00 177.57 178.49 1jkj h LYS 277 N 0.69 0.84 -0.29 1.57 1.63 -0.60 0.25 116.57 120.66 1jkj h LYS 277 Ca 0.12 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1jkj h LYS 277 Cb 0.59 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1jkj h LYS 277 CO 0.04 0.86 -0.01 1.25 -3.45 0.00 0.00 179.45 178.14 1jkj h LEU 278 N 0.78 0.40 -3.70 5.20 5.85 -0.64 -2.76 115.31 120.43 1jkj h LEU 278 Ca 0.14 -0.07 -0.46 0.00 0.84 0.00 0.00 57.88 58.33 1jkj h LEU 278 Cb 0.51 -0.11 -0.25 0.00 0.37 0.00 0.00 40.66 41.18 1jkj h LEU 278 CO 0.03 0.48 0.59 1.41 -0.34 0.00 0.00 178.44 180.60 1jkj n HIS 279 N -4.30 2.59 -0.99 1.25 8.25 -0.93 -4.85 115.22 116.23 1jkj n HIS 279 Ca 0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 57.72 55.61 1jkj n HIS 279 Cb 0.23 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.40 1jkj n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jkj n GLY 280 N -0.80 0.68 3.95 -1.41 0.00 -1.04 -4.88 105.19 101.70 1jkj n GLY 280 Ca 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 1jkj n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkj s GLY 281 N -2.00 1.66 -0.31 -0.02 0.00 0.83 -4.99 107.32 102.49 1jkj s GLY 281 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.66 1jkj s GLY 281 CO 0.00 -0.83 0.07 1.85 0.00 0.00 0.00 173.10 174.19 1jkj s GLU 282 N -4.74 1.04 0.17 2.90 2.56 -1.26 -3.86 118.70 115.52 1jkj s GLU 282 Ca 0.53 -1.33 -0.32 0.00 0.00 0.00 0.00 54.97 53.86 1jkj s GLU 282 Cb -0.10 -2.45 -0.11 0.00 2.00 0.00 0.00 34.13 33.47 1jkj s GLU 282 CO 0.40 -0.93 1.69 -1.25 -0.56 0.00 0.00 175.26 174.60 1jkj s PRO 283 N 1.36 4.16 0.30 4.30 0.04 -1.26 -0.60 135.00 143.30 1jkj s PRO 283 Ca 0.09 2.50 0.23 0.00 0.04 0.00 0.00 61.00 63.86 1jkj s PRO 283 Cb -0.18 -3.24 0.17 0.00 0.04 0.00 0.00 34.50 31.29 1jkj s PRO 283 CO -0.18 -0.72 1.31 0.00 0.04 0.00 0.00 177.00 177.45 1jkj h ALA 284 N 7.25 0.73 -2.19 8.56 0.00 -0.64 -2.68 119.26 130.29 1jkj h ALA 284 Ca -0.43 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.68 1jkj h ALA 284 Cb 1.20 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1jkj h ALA 284 CO 0.94 0.00 0.54 0.54 0.00 0.00 0.00 179.25 181.27 1jkj s ASN 285 N -5.69 -0.16 -0.14 0.00 4.22 -1.26 -0.58 114.94 111.33 1jkj s ASN 285 Ca 0.03 -0.35 0.01 0.00 -2.14 0.00 0.00 52.86 50.41 1jkj s ASN 285 Cb 0.08 0.43 -0.00 0.00 1.28 0.00 0.00 41.25 43.03 1jkj s ASN 285 CO 0.73 -0.80 -0.16 0.12 -2.04 0.00 0.00 177.10 174.95 1jkj s PHE 286 N -3.14 2.75 -0.18 1.54 2.19 0.48 -4.09 117.98 117.52 1jkj s PHE 286 Ca 0.12 -0.97 -0.04 0.00 0.33 0.00 0.00 56.93 56.37 1jkj s PHE 286 Cb -0.00 -1.85 0.09 0.00 -1.31 0.00 0.00 43.02 39.94 1jkj s PHE 286 CO 0.01 -0.42 0.22 -1.17 1.83 0.00 0.00 175.22 175.70 1jkj s LEU 287 N 0.65 -0.14 -0.31 6.12 1.98 -1.19 -0.69 118.68 125.10 1jkj s LEU 287 Ca -0.09 -0.06 -0.10 0.00 -2.89 0.00 0.00 54.13 51.00 1jkj s LEU 287 Cb -0.16 0.43 -0.01 0.00 0.66 0.00 0.00 46.19 47.11 1jkj s LEU 287 CO 0.02 -0.31 0.16 -0.62 -1.89 0.00 0.00 176.35 173.72 1jkj s ASP 288 N 2.34 5.63 0.00 3.68 2.15 0.47 -1.79 116.67 129.14 1jkj s ASP 288 Ca 0.06 -0.49 0.29 0.00 0.43 0.00 0.00 52.55 52.84 1jkj s ASP 288 Cb -0.15 -2.02 1.37 0.00 -0.30 0.00 0.00 42.92 41.82 1jkj s ASP 288 CO -0.11 -0.19 1.95 0.52 -0.17 0.00 0.00 175.17 177.16 1jkj n VAL 289 N 5.00 0.00 -4.12 1.11 0.31 0.30 -0.94 118.33 119.98 1jkj n VAL 289 Ca -0.14 -0.04 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 1jkj n VAL 289 Cb 0.49 -0.23 -0.07 0.00 -0.91 0.00 0.00 33.84 33.12 1jkj n VAL 289 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jkj n GLY 290 N 1.25 -0.32 1.54 2.92 0.00 -1.26 -4.48 105.19 104.84 1jkj n GLY 290 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1jkj n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 291 N -1.15 -4.81 0.00 -0.02 0.00 -1.26 -4.93 105.19 93.01 1jkj n GLY 291 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1jkj n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 292 N 1.27 1.74 2.76 -0.02 0.00 -1.26 -4.93 105.19 104.74 1jkj n GLY 292 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jkj n GLY 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj n ALA 293 N 0.00 0.84 -1.39 4.61 0.00 -1.26 -4.79 120.51 118.53 1jkj n ALA 293 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1jkj n ALA 293 Cb 0.00 -2.03 0.08 0.00 0.00 0.00 0.00 19.45 17.50 1jkj n ALA 293 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkj s THR 294 N 3.67 3.58 0.19 0.00 -4.23 -1.26 -4.69 115.64 112.89 1jkj s THR 294 Ca 0.00 0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 1jkj s THR 294 Cb 0.00 -3.11 0.12 0.00 1.34 0.00 0.00 72.50 70.85 1jkj s THR 294 CO 0.00 -0.67 1.70 0.50 -0.54 0.00 0.00 174.62 175.61 1jkj h LYS 295 N -0.98 0.16 -0.20 3.99 3.64 -1.89 0.12 116.57 121.41 1jkj h LYS 295 Ca -0.44 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1jkj h LYS 295 Cb 1.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1jkj h LYS 295 CO 0.54 0.10 0.02 0.93 -2.27 0.00 0.00 179.45 178.77 1jkj h GLU 296 N 0.16 0.34 -0.76 1.90 3.07 -1.93 -1.32 114.58 116.05 1jkj h GLU 296 Ca 0.25 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1jkj h GLU 296 Cb 0.37 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1jkj h GLU 296 CO -0.38 0.52 0.36 -0.09 -1.40 0.00 0.00 179.01 178.01 1jkj h ARG 297 N 0.12 1.09 -0.23 2.33 2.43 -1.72 -0.68 114.38 117.72 1jkj h ARG 297 Ca 0.06 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1jkj h ARG 297 Cb 0.35 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1jkj h ARG 297 CO 0.01 0.85 -0.37 0.28 -1.51 0.00 0.00 179.97 179.22 1jkj h VAL 298 N 1.08 1.30 -0.18 0.20 2.07 -0.64 -0.89 116.25 119.18 1jkj h VAL 298 Ca 0.26 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1jkj h VAL 298 Cb 0.12 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1jkj h VAL 298 CO -0.03 0.47 0.11 0.74 0.02 0.00 0.00 177.57 178.88 1jkj h THR 299 N 0.44 1.07 -0.67 2.57 2.02 -0.68 -1.26 112.91 116.40 1jkj h THR 299 Ca 0.04 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1jkj h THR 299 Cb 0.85 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1jkj h THR 299 CO 0.07 0.07 0.38 -0.33 0.37 0.00 0.00 175.52 176.08 1jkj h GLU 300 N 0.22 0.70 -0.34 6.66 4.39 -0.84 0.20 114.58 125.55 1jkj h GLU 300 Ca 0.07 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1jkj h GLU 300 Cb 0.01 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 1jkj h GLU 300 CO -0.01 0.46 0.07 0.00 -1.16 0.00 0.00 179.01 178.36 1jkj h ALA 301 N 1.33 0.36 -0.17 3.43 0.00 -0.60 0.40 119.26 124.02 1jkj h ALA 301 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1jkj h ALA 301 Cb 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jkj h ALA 301 CO -0.16 -0.34 0.06 0.74 0.00 0.00 0.00 179.25 179.54 1jkj h PHE 302 N 0.18 0.28 -0.43 0.00 0.04 -0.62 0.41 116.94 116.81 1jkj h PHE 302 Ca 0.16 -0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.98 1jkj h PHE 302 Cb 0.18 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 1jkj h PHE 302 CO -0.19 0.37 0.06 0.87 -0.60 0.00 0.00 178.31 178.82 1jkj h LYS 303 N 0.11 0.18 -0.01 1.51 1.57 -0.14 0.35 116.57 120.14 1jkj h LYS 303 Ca 0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jkj h LYS 303 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1jkj h LYS 303 CO -0.00 0.12 0.00 0.82 -0.57 0.00 0.00 179.45 179.82 1jkj h ILE 304 N 0.19 1.21 -0.60 1.86 2.04 0.10 -1.81 117.51 120.50 1jkj h ILE 304 Ca 0.21 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1jkj h ILE 304 Cb 0.28 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1jkj h ILE 304 CO -0.30 0.16 0.36 0.40 0.00 0.00 0.00 178.15 178.78 1jkj h ILE 305 N -0.25 1.06 0.00 -0.67 2.04 0.29 -2.39 117.51 117.60 1jkj h ILE 305 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1jkj h ILE 305 Cb 0.26 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1jkj h ILE 305 CO 0.00 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.46 1jkj n LEU 306 N -4.74 0.00 0.00 1.44 4.77 0.12 -2.95 117.00 115.63 1jkj n LEU 306 Ca 0.05 0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.18 1jkj n LEU 306 Cb 0.09 -0.05 0.44 0.00 -2.33 0.00 0.00 43.42 41.56 1jkj n LEU 306 CO 0.32 -0.00 0.79 -1.54 -1.33 0.00 0.00 177.39 175.64 1jkj n SER 307 N -1.05 0.00 -4.48 -1.43 3.41 -0.69 -4.36 113.62 105.02 1jkj n SER 307 Ca 0.21 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1jkj n SER 307 Cb 0.13 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1jkj n SER 307 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jkj s ASP 308 N -2.80 6.13 0.63 4.04 2.15 -1.15 -4.96 116.67 120.71 1jkj s ASP 308 Ca 0.13 -0.72 0.29 0.00 0.43 0.00 0.00 52.55 52.68 1jkj s ASP 308 Cb 0.12 -2.18 1.59 0.00 -0.30 0.00 0.00 42.92 42.16 1jkj s ASP 308 CO 0.32 -0.44 1.89 0.44 -0.17 0.00 0.00 175.17 177.20 1jkj h ASP 309 N 8.62 0.00 1.32 -0.34 5.19 -1.90 -2.04 116.42 127.27 1jkj h ASP 309 Ca -0.28 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.10 1jkj h ASP 309 Cb 1.13 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 1jkj h ASP 309 CO 0.73 0.00 -0.14 0.11 -3.12 0.00 0.00 179.24 176.82 1jkj h LYS 310 N 0.00 0.00 -6.37 3.56 1.79 -1.93 -3.45 116.57 110.18 1jkj h LYS 310 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1jkj h LYS 310 Cb 0.62 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1jkj h LYS 310 CO 0.00 0.14 1.08 0.08 -1.08 0.00 0.00 179.45 179.67 1jkj s VAL 311 N -3.44 3.21 -0.34 0.50 1.01 -0.77 -4.53 120.40 116.03 1jkj s VAL 311 Ca 0.03 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.55 1jkj s VAL 311 Cb 0.08 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 1jkj s VAL 311 CO 0.63 -0.02 0.34 0.29 0.00 0.00 0.00 175.10 176.34 1jkj n LYS 312 N 6.55 3.46 -3.48 2.72 4.76 0.23 -4.89 118.16 127.51 1jkj n LYS 312 Ca 0.17 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.46 1jkj n LYS 312 Cb 0.41 -0.96 -0.04 0.00 -1.84 0.00 0.00 35.03 32.60 1jkj n LYS 312 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jkj s ALA 313 N -1.96 -1.56 -0.09 7.82 0.00 -1.18 -3.85 121.76 120.94 1jkj s ALA 313 Ca 0.02 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1jkj s ALA 313 Cb 0.06 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1jkj s ALA 313 CO 0.36 -0.63 -0.14 0.08 0.00 0.00 0.00 175.76 175.44 1jkj s VAL 314 N -2.93 1.34 -0.24 0.00 1.01 -0.81 -0.32 120.40 118.45 1jkj s VAL 314 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1jkj s VAL 314 Cb -0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1jkj s VAL 314 CO -0.06 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.34 1jkj s LEU 315 N 0.93 3.79 -0.24 3.92 2.96 0.26 -1.13 118.68 129.17 1jkj s LEU 315 Ca -0.09 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1jkj s LEU 315 Cb -0.15 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1jkj s LEU 315 CO -0.00 0.04 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.34 1jkj s VAL 316 N 1.21 3.25 -0.30 1.68 1.01 0.03 -0.09 120.40 127.19 1jkj s VAL 316 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1jkj s VAL 316 Cb -0.14 -2.57 0.09 0.00 0.00 0.00 0.00 36.38 33.76 1jkj s VAL 316 CO 0.05 0.29 0.03 0.21 0.00 0.00 0.00 175.10 175.68 1jkj s ASN 317 N 1.42 4.34 -0.13 3.32 2.47 0.51 -0.64 114.94 126.22 1jkj s ASN 317 Ca 0.03 -1.75 -0.01 0.00 0.42 0.00 0.00 52.86 51.55 1jkj s ASN 317 Cb -0.15 -1.31 -0.02 0.00 -1.45 0.00 0.00 41.25 38.32 1jkj s ASN 317 CO -0.03 -0.35 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.26 1jkj s ILE 318 N 1.23 3.25 -0.33 -5.21 -1.09 -0.36 -3.27 121.20 115.42 1jkj s ILE 318 Ca 0.06 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1jkj s ILE 318 Cb -0.19 -2.38 0.10 0.00 -1.58 0.00 0.00 42.46 38.42 1jkj s ILE 318 CO -0.12 0.52 0.09 0.12 -1.23 0.00 0.00 174.94 174.32 1jkj s PHE 319 N 0.29 2.29 0.00 3.97 2.19 -1.26 -2.12 117.98 123.34 1jkj s PHE 319 Ca -0.08 -2.13 0.00 0.00 0.33 0.00 0.00 56.93 55.05 1jkj s PHE 319 Cb -0.15 -2.06 0.00 0.00 -1.31 0.00 0.00 43.02 39.49 1jkj s PHE 319 CO 0.05 -0.89 0.00 0.41 1.83 0.00 0.00 175.22 176.62 1jkj n GLY 320 N 4.61 0.32 0.84 13.12 0.00 0.08 -4.98 105.19 119.18 1jkj n GLY 320 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1jkj n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 321 N 0.00 -3.02 0.17 -0.02 0.00 -1.26 -4.60 105.19 96.46 1jkj n GLY 321 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.18 1jkj n GLY 321 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jkj h ILE 322 N 0.00 0.54 -3.06 -0.61 3.07 -1.97 -3.46 117.51 112.02 1jkj h ILE 322 Ca 0.00 -1.74 -0.60 0.00 1.55 0.00 0.00 64.86 64.07 1jkj h ILE 322 Cb 0.00 2.25 -0.05 0.00 -0.27 0.00 0.00 36.82 38.75 1jkj h ILE 322 CO 0.00 0.31 -0.25 -0.69 -1.05 0.00 0.00 178.15 176.47 1jkj s VAL 323 N -3.08 5.10 0.41 0.16 1.01 -1.26 -5.04 120.40 117.70 1jkj s VAL 323 Ca 0.05 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 1jkj s VAL 323 Cb 0.07 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1jkj s VAL 323 CO 0.71 0.38 1.11 -0.13 0.00 0.00 0.00 175.10 177.17 1jkj s ARG 324 N -1.66 4.03 0.36 2.72 0.52 -1.26 -4.87 118.95 118.79 1jkj s ARG 324 Ca 0.30 1.67 0.12 0.00 -0.52 0.00 0.00 55.73 57.30 1jkj s ARG 324 Cb -0.15 -2.55 0.94 0.00 0.52 0.00 0.00 34.95 33.71 1jkj s ARG 324 CO 0.16 -0.29 1.78 0.00 0.02 0.00 0.00 175.30 176.97 1jkj h ASP 326 N 0.56 0.58 1.64 0.00 2.03 -1.72 0.94 116.42 120.46 1jkj h ASP 326 Ca 0.57 -0.18 -0.03 0.00 -0.73 0.00 0.00 57.03 56.67 1jkj h ASP 326 Cb 1.18 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1jkj h ASP 326 CO -0.33 0.77 -0.13 -0.07 -1.03 0.00 0.00 179.24 178.45 1jkj h LEU 327 N 0.53 0.00 0.09 0.15 3.38 -1.37 -1.76 115.31 116.33 1jkj h LEU 327 Ca 0.09 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 1jkj h LEU 327 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 1jkj h LEU 327 CO 0.04 0.13 -1.23 0.40 0.09 0.00 0.00 178.44 177.87 1jkj h ILE 328 N 0.00 1.39 -0.68 1.22 2.04 -0.76 -2.49 117.51 118.22 1jkj h ILE 328 Ca -0.00 -2.73 -0.08 0.00 1.00 0.00 0.00 64.86 63.06 1jkj h ILE 328 Cb 0.98 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.83 1jkj h ILE 328 CO 0.02 0.81 0.13 0.00 0.00 0.00 0.00 178.15 179.10 1jkj h ALA 329 N 0.46 0.90 -0.43 1.87 0.00 -0.65 0.72 119.26 122.14 1jkj h ALA 329 Ca -0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1jkj h ALA 329 Cb 1.92 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1jkj h ALA 329 CO 0.22 0.66 0.10 -0.44 0.00 0.00 0.00 179.25 179.78 1jkj h ASP 330 N 1.04 0.60 -0.30 0.00 3.32 -1.34 0.26 116.42 120.01 1jkj h ASP 330 Ca 0.21 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1jkj h ASP 330 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1jkj h ASP 330 CO 0.01 0.60 -0.31 1.23 -1.72 0.00 0.00 179.24 179.05 1jkj h GLY 331 N 0.86 0.89 0.78 2.75 0.00 -0.85 0.39 103.07 107.89 1jkj h GLY 331 Ca 0.14 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1jkj h GLY 331 CO -0.00 0.76 -0.13 -2.22 0.00 0.00 0.00 176.54 174.95 1jkj h ILE 332 N 0.69 1.32 -0.13 2.60 2.04 -0.34 0.10 117.51 123.79 1jkj h ILE 332 Ca 0.07 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1jkj h ILE 332 Cb 0.86 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1jkj h ILE 332 CO 0.08 0.37 -0.06 0.40 0.00 0.00 0.00 178.15 178.94 1jkj h ILE 333 N 0.06 0.81 -0.58 -0.67 2.04 -0.89 0.20 117.51 118.48 1jkj h ILE 333 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1jkj h ILE 333 Cb 0.63 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1jkj h ILE 333 CO 0.03 0.00 0.30 1.23 0.00 0.00 0.00 178.15 179.71 1jkj h GLY 334 N -0.04 0.88 0.94 5.37 0.00 -0.85 -1.13 103.07 108.24 1jkj h GLY 334 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1jkj h GLY 334 CO -0.16 0.40 0.16 0.00 0.00 0.00 0.00 176.54 176.93 1jkj h ALA 335 N 1.13 0.49 -0.82 3.60 0.00 -0.43 0.26 119.26 123.50 1jkj h ALA 335 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jkj h ALA 335 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1jkj h ALA 335 CO -0.03 0.08 0.54 0.28 0.00 0.00 0.00 179.25 180.12 1jkj h VAL 336 N 0.46 1.17 0.13 0.00 2.07 -0.02 0.26 116.25 120.33 1jkj h VAL 336 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1jkj h VAL 336 Cb 0.18 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1jkj h VAL 336 CO -0.01 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.71 1jkj h ALA 337 N 1.51 -0.17 -0.79 1.67 0.00 -0.95 -1.38 119.26 119.14 1jkj h ALA 337 Ca 0.31 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jkj h ALA 337 Cb -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1jkj h ALA 337 CO -0.08 -0.22 0.50 1.49 0.00 0.00 0.00 179.25 180.94 1jkj h GLU 338 N -0.92 0.95 0.00 0.00 4.81 -0.80 0.80 114.58 119.42 1jkj h GLU 338 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1jkj h GLU 338 Cb 0.51 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1jkj h GLU 338 CO 0.03 0.63 0.00 0.28 -0.73 0.00 0.00 179.01 179.22 1jkj n VAL 339 N -4.60 0.62 -3.04 0.32 0.31 0.90 -4.93 118.33 107.91 1jkj n VAL 339 Ca 0.09 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 1jkj n VAL 339 Cb 0.09 -0.63 0.06 0.00 -0.91 0.00 0.00 33.84 32.46 1jkj n VAL 339 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jkj n GLY 340 N 1.22 -0.75 3.70 2.92 0.00 0.27 -4.92 105.19 107.63 1jkj n GLY 340 Ca 0.05 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1jkj n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 341 N -3.33 3.59 -0.14 1.61 1.01 -0.56 -4.94 120.40 117.64 1jkj s VAL 341 Ca 0.32 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 1jkj s VAL 341 Cb -0.04 -3.68 -0.24 0.00 0.00 0.00 0.00 36.38 32.42 1jkj s VAL 341 CO 0.63 0.03 0.46 0.78 0.00 0.00 0.00 175.10 177.00 1jkj h ASN 342 N 7.45 0.21 -4.28 3.32 -0.26 -1.91 -3.48 115.58 116.63 1jkj h ASN 342 Ca -0.40 -0.77 -0.51 0.00 -0.56 0.00 0.00 56.30 54.07 1jkj h ASN 342 Cb 1.19 -0.07 0.10 0.00 -1.06 0.00 0.00 38.32 38.48 1jkj h ASN 342 CO 0.88 1.52 0.36 0.68 -1.06 0.00 0.00 177.43 179.81 1jkj s VAL 343 N -2.41 3.76 0.47 2.81 -7.23 -1.26 -5.01 120.40 111.52 1jkj s VAL 343 Ca -0.23 0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 1jkj s VAL 343 Cb 0.04 -3.27 -0.07 0.00 0.56 0.00 0.00 36.38 33.64 1jkj s VAL 343 CO 0.70 -0.67 1.25 -2.16 -0.31 0.00 0.00 175.10 173.91 1jkj s PRO 344 N -4.69 3.66 -0.11 4.82 0.04 -1.25 -4.82 135.00 132.65 1jkj s PRO 344 Ca 0.61 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1jkj s PRO 344 Cb -0.16 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1jkj s PRO 344 CO 0.49 -0.69 -0.23 0.08 0.04 0.00 0.00 177.00 176.70 1jkj s VAL 345 N -1.40 2.01 -0.15 -0.36 1.01 -1.00 -1.92 120.40 118.59 1jkj s VAL 345 Ca 0.64 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1jkj s VAL 345 Cb -0.34 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1jkj s VAL 345 CO 0.42 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 175.32 1jkj s VAL 346 N 0.53 3.76 -0.04 2.92 1.01 -0.29 -0.51 120.40 127.78 1jkj s VAL 346 Ca -0.15 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1jkj s VAL 346 Cb -0.17 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jkj s VAL 346 CO 0.05 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 1jkj s VAL 347 N 0.39 1.79 -0.19 2.92 1.01 0.79 -0.79 120.40 126.32 1jkj s VAL 347 Ca -0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1jkj s VAL 347 Cb -0.14 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jkj s VAL 347 CO 0.03 0.50 -0.12 -0.60 0.00 0.00 0.00 175.10 174.92 1jkj s ARG 348 N -0.23 2.21 -0.03 2.72 3.00 0.18 0.69 118.95 127.49 1jkj s ARG 348 Ca 0.00 -0.84 0.06 0.00 -1.00 0.00 0.00 55.73 53.96 1jkj s ARG 348 Cb -0.11 -2.42 -0.02 0.00 0.00 0.00 0.00 34.95 32.39 1jkj s ARG 348 CO 0.02 -0.38 -0.21 -0.51 0.00 0.00 0.00 175.30 174.21 1jkj s LEU 349 N 1.37 2.34 -0.02 -0.88 1.43 -1.26 -1.23 118.68 120.44 1jkj s LEU 349 Ca -0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1jkj s LEU 349 Cb -0.16 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1jkj s LEU 349 CO -0.09 0.33 0.03 -1.61 0.23 0.00 0.00 176.35 175.23 1jkj s GLU 350 N -0.70 -0.03 0.00 1.70 0.41 -0.90 -4.84 118.70 114.34 1jkj s GLU 350 Ca 0.11 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.83 1jkj s GLU 350 Cb -0.10 -0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.02 1jkj s GLU 350 CO -0.00 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 1jkj n GLY 351 N 4.06 0.50 3.61 -1.39 0.00 -1.26 -0.74 105.19 109.97 1jkj n GLY 351 Ca -0.26 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 1jkj n GLY 351 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkj s ASN 352 N -4.00 5.75 -0.09 1.61 0.01 -1.26 -2.39 114.94 114.57 1jkj s ASN 352 Ca 0.00 1.70 -0.00 0.00 -0.71 0.00 0.00 52.86 53.85 1jkj s ASN 352 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1jkj s ASN 352 CO 0.00 -1.76 0.01 0.59 -1.51 0.00 0.00 177.10 174.43 1jkj n ASN 353 N 10.67 -1.45 -0.20 -1.22 3.02 -1.26 -0.97 115.26 123.85 1jkj n ASN 353 Ca 0.26 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1jkj n ASN 353 Cb 0.45 -0.73 0.11 0.00 -0.61 0.00 0.00 39.78 39.01 1jkj n ASN 353 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkj h ALA 354 N 0.05 0.78 0.00 5.41 0.00 -1.80 0.51 119.26 124.21 1jkj h ALA 354 Ca -0.03 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1jkj h ALA 354 Cb 1.02 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jkj h ALA 354 CO 0.03 -0.22 -0.67 0.93 0.00 0.00 0.00 179.25 179.32 1jkj h GLU 355 N 0.37 0.00 -0.03 0.00 5.08 -1.90 -1.26 114.58 116.83 1jkj h GLU 355 Ca 0.31 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1jkj h GLU 355 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1jkj h GLU 355 CO -0.33 0.67 -0.71 1.25 -1.00 0.00 0.00 179.01 178.88 1jkj h LEU 356 N 0.00 0.22 -0.35 1.33 5.85 -1.84 0.06 115.31 120.58 1jkj h LEU 356 Ca -0.01 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.38 1jkj h LEU 356 Cb 1.38 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1jkj h LEU 356 CO 0.09 0.86 -0.61 1.23 -0.34 0.00 0.00 178.44 179.67 1jkj h GLY 357 N 1.69 0.79 1.40 3.75 0.00 -0.81 -1.38 103.07 108.51 1jkj h GLY 357 Ca -0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 47.33 46.25 1jkj h GLY 357 CO 0.11 0.87 -0.11 0.00 0.00 0.00 0.00 176.54 177.40 1jkj h ALA 358 N 0.78 1.05 -0.21 3.60 0.00 -1.05 -1.83 119.26 121.59 1jkj h ALA 358 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jkj h ALA 358 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1jkj h ALA 358 CO 0.12 0.58 0.02 -0.22 0.00 0.00 0.00 179.25 179.75 1jkj h LYS 359 N 0.65 0.36 -0.91 0.00 3.64 -0.82 -0.91 116.57 118.58 1jkj h LYS 359 Ca 0.11 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1jkj h LYS 359 Cb 0.57 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1jkj h LYS 359 CO 0.04 0.53 0.57 0.87 -2.27 0.00 0.00 179.45 179.18 1jkj h LYS 360 N 0.14 1.01 -0.04 1.90 1.57 -0.93 0.25 116.57 120.48 1jkj h LYS 360 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jkj h LYS 360 Cb 0.35 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1jkj h LYS 360 CO 0.01 0.67 0.01 -0.07 -0.57 0.00 0.00 179.45 179.50 1jkj h LEU 361 N 1.04 0.05 -0.79 2.94 3.38 -1.07 -2.69 115.31 118.18 1jkj h LEU 361 Ca 0.39 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1jkj h LEU 361 Cb 0.16 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1jkj h LEU 361 CO -0.17 0.22 0.47 0.00 0.09 0.00 0.00 178.44 179.05 1jkj h ALA 362 N 0.83 1.08 0.00 1.53 0.00 -0.49 -2.19 119.26 120.02 1jkj h ALA 362 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jkj h ALA 362 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jkj h ALA 362 CO -0.00 0.17 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1jkj n ASP 363 N -4.69 0.02 0.03 0.00 8.00 0.83 -4.27 116.55 116.47 1jkj n ASP 363 Ca 0.11 -1.80 0.11 0.00 0.71 0.00 0.00 54.79 53.93 1jkj n ASP 363 Cb 0.19 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1jkj n ASP 363 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jkj n SER 364 N -0.49 0.62 0.00 -2.24 3.41 -0.83 -4.98 113.62 109.12 1jkj n SER 364 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1jkj n SER 364 Cb 0.01 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1jkj n SER 364 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkj n GLY 365 N 1.37 3.00 3.89 5.00 0.00 -1.26 -4.97 105.19 112.21 1jkj n GLY 365 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jkj n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 366 N 0.00 3.08 -1.03 0.99 1.43 -1.26 -4.96 118.68 116.93 1jkj s LEU 366 Ca 0.00 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 1jkj s LEU 366 Cb 0.00 -4.04 0.08 0.00 0.03 0.00 0.00 46.19 42.27 1jkj s LEU 366 CO 0.00 -1.12 1.38 0.21 0.23 0.00 0.00 176.35 177.04 1jkj s ASN 367 N -4.29 6.61 -0.16 2.29 2.47 -1.26 -4.90 114.94 115.70 1jkj s ASN 367 Ca 0.56 -1.83 -0.04 0.00 0.42 0.00 0.00 52.86 51.97 1jkj s ASN 367 Cb -0.11 -2.51 0.08 0.00 -1.45 0.00 0.00 41.25 37.26 1jkj s ASN 367 CO 0.51 -1.29 0.22 -0.63 -3.72 0.00 0.00 177.10 172.19 1jkj s ILE 368 N 3.98 -0.33 -0.02 -5.21 1.01 -1.26 -2.37 121.20 117.00 1jkj s ILE 368 Ca 0.42 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 1jkj s ILE 368 Cb -0.01 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 1jkj s ILE 368 CO -0.07 -0.06 0.56 -0.63 0.00 0.00 0.00 174.94 174.74 1jkj s ILE 369 N 2.34 4.97 -0.55 2.92 -1.09 0.33 -4.54 121.20 125.57 1jkj s ILE 369 Ca 0.05 1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 59.47 1jkj s ILE 369 Cb -0.14 -3.89 0.13 0.00 -1.58 0.00 0.00 42.46 36.98 1jkj s ILE 369 CO -0.10 0.42 0.50 0.00 -1.23 0.00 0.00 174.94 174.53 1jkj s ALA 370 N -0.15 3.65 0.80 9.38 0.00 -1.26 -0.15 121.76 134.03 1jkj s ALA 370 Ca 0.29 -2.58 -0.11 0.00 0.00 0.00 0.00 51.96 49.57 1jkj s ALA 370 Cb -0.18 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.77 1jkj s ALA 370 CO 0.16 -2.02 1.09 0.00 0.00 0.00 0.00 175.76 174.99 1jkj s ALA 371 N 1.51 2.11 -0.72 0.00 0.00 0.22 -4.95 121.76 119.93 1jkj s ALA 371 Ca 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1jkj s ALA 371 Cb -0.29 -3.28 0.18 0.00 0.00 0.00 0.00 23.12 19.74 1jkj s ALA 371 CO 0.02 -1.91 0.56 0.15 0.00 0.00 0.00 175.76 174.58 1jkj s LYS 372 N -4.89 2.87 0.00 0.00 3.01 -1.26 -4.66 119.74 114.81 1jkj s LYS 372 Ca 0.62 -2.71 0.00 0.00 -1.01 0.00 0.00 55.97 52.87 1jkj s LYS 372 Cb -0.18 -3.87 0.00 0.00 -1.01 0.00 0.00 37.83 32.77 1jkj s LYS 372 CO 0.56 -1.21 0.00 0.41 0.51 0.00 0.00 175.35 175.62 1jkj n GLY 373 N 3.26 1.42 0.10 -3.33 0.00 -1.26 -4.41 105.19 100.97 1jkj n GLY 373 Ca 0.12 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1jkj n GLY 373 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jkj h LEU 374 N 0.00 -0.12 -0.72 0.99 5.85 -1.99 -1.28 115.31 118.04 1jkj h LEU 374 Ca 0.00 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1jkj h LEU 374 Cb 0.00 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1jkj h LEU 374 CO 0.00 0.13 0.37 0.74 -0.34 0.00 0.00 178.44 179.34 1jkj h THR 375 N -0.38 0.86 -0.14 1.05 2.02 -1.99 0.46 112.91 114.79 1jkj h THR 375 Ca -0.01 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1jkj h THR 375 Cb 0.32 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1jkj h THR 375 CO 0.02 0.12 0.08 -0.78 0.37 0.00 0.00 175.52 175.33 1jkj h ASP 376 N 0.63 0.13 -0.76 4.18 3.58 -1.74 -0.46 116.42 121.98 1jkj h ASP 376 Ca 0.35 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.81 1jkj h ASP 376 Cb 0.36 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1jkj h ASP 376 CO -0.26 0.10 0.50 0.00 -2.88 0.00 0.00 179.24 176.69 1jkj h ALA 377 N 1.06 1.45 0.46 -0.78 0.00 -0.43 0.23 119.26 121.25 1jkj h ALA 377 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jkj h ALA 377 Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1jkj h ALA 377 CO -0.03 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.51 1jkj h ALA 378 N 1.52 -0.62 -0.38 0.00 0.00 -0.40 -1.60 119.26 117.77 1jkj h ALA 378 Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1jkj h ALA 378 Cb -0.11 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1jkj h ALA 378 CO -0.06 -0.76 0.10 1.96 0.00 0.00 0.00 179.25 180.49 1jkj h GLN 379 N -0.80 0.23 -0.51 0.00 4.20 -0.70 -1.10 115.11 116.43 1jkj h GLN 379 Ca -0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jkj h GLN 379 Cb 0.55 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1jkj h GLN 379 CO 0.10 0.15 0.33 1.96 -0.67 0.00 0.00 178.83 180.70 1jkj h GLN 380 N 0.24 0.69 0.00 1.46 4.20 -0.47 0.37 115.11 121.60 1jkj h GLN 380 Ca 0.18 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1jkj h GLN 380 Cb 0.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1jkj h GLN 380 CO -0.21 0.48 -0.34 -0.39 -0.67 0.00 0.00 178.83 177.70 1jkj h VAL 381 N 0.69 1.10 0.00 -0.54 -1.51 -0.98 0.26 116.25 115.26 1jkj h VAL 381 Ca 0.19 -1.21 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1jkj h VAL 381 Cb -0.05 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1jkj h VAL 381 CO -0.04 0.33 -0.00 0.58 -1.23 0.00 0.00 177.57 177.21 1jkj h VAL 382 N 0.00 1.36 -0.07 7.19 2.07 -0.60 -3.10 116.25 123.10 1jkj h VAL 382 Ca -0.00 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1jkj h VAL 382 Cb 0.65 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1jkj h VAL 382 CO 0.04 0.28 -0.24 0.00 0.02 0.00 0.00 177.57 177.67 1jkj h ALA 383 N 0.52 -0.27 0.00 1.67 0.00 0.15 -1.87 119.26 119.46 1jkj h ALA 383 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jkj h ALA 383 Cb 0.47 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jkj h ALA 383 CO 0.00 -0.72 0.53 0.00 0.00 0.00 0.00 179.25 179.06 1jkj h ALA 384 N 0.56 1.45 -0.01 0.00 0.00 -0.43 -3.51 119.26 117.31 1jkj h ALA 384 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jkj h ALA 384 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jkj h ALA 384 CO -0.27 -0.45 0.00 1.33 0.00 0.00 0.00 179.25 179.87