#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s59 s MET 80 N 0.00 4.34 0.12 4.33 0.23 -1.26 -5.07 119.30 121.99 1s59 s MET 80 Ca 0.00 0.87 -0.12 0.00 -1.03 0.00 0.00 55.69 55.40 1s59 s MET 80 Cb 0.00 -3.28 -0.06 0.00 -1.53 0.00 0.00 34.83 29.96 1s59 s MET 80 CO 0.00 0.53 0.48 -1.21 -2.03 0.00 0.00 175.02 172.79 1s59 s GLU 81 N -0.81 3.88 0.77 3.16 2.02 -1.26 -5.08 118.70 121.38 1s59 s GLU 81 Ca 0.32 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.54 1s59 s GLU 81 Cb -0.20 -2.96 0.06 0.00 0.10 0.00 0.00 34.13 31.13 1s59 s GLU 81 CO 0.21 0.51 1.09 -0.51 0.02 0.00 0.00 175.26 176.58 1s59 s ASP 82 N -1.74 4.71 0.49 -0.19 1.01 -1.26 -4.92 116.67 114.77 1s59 s ASP 82 Ca 0.36 1.33 -0.23 0.00 0.71 0.00 0.00 52.55 54.71 1s59 s ASP 82 Cb -0.14 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.63 1s59 s ASP 82 CO 0.19 -1.83 1.37 -0.69 0.21 0.00 0.00 175.17 174.41 1s59 s VAL 83 N -3.16 2.19 0.21 -1.27 1.01 -1.26 -4.34 120.40 113.78 1s59 s VAL 83 Ca 0.60 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1s59 s VAL 83 Cb -0.14 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1s59 s VAL 83 CO 0.54 0.01 -0.08 -0.70 0.00 0.00 0.00 175.10 174.87 1s59 s GLU 84 N -2.66 1.30 0.04 2.72 2.12 -0.69 -4.89 118.70 116.64 1s59 s GLU 84 Ca 0.66 -1.61 0.04 0.00 0.36 0.00 0.00 54.97 54.41 1s59 s GLU 84 Cb -0.41 -0.86 -0.02 0.00 0.26 0.00 0.00 34.13 33.10 1s59 s GLU 84 CO 0.50 0.05 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.95 1s59 s GLU 85 N -3.74 0.75 -0.00 4.30 8.01 -1.26 -0.92 118.70 125.84 1s59 s GLU 85 Ca 0.24 -0.74 -0.08 0.00 0.01 0.00 0.00 54.97 54.40 1s59 s GLU 85 Cb 0.03 -0.69 0.00 0.00 -4.31 0.00 0.00 34.13 29.16 1s59 s GLU 85 CO 0.07 0.16 0.15 -0.08 0.01 0.00 0.00 175.26 175.57 1s59 s THR 86 N -1.00 0.07 -0.43 3.63 -1.32 -0.02 -4.30 115.64 112.27 1s59 s THR 86 Ca -0.02 -0.62 -0.15 0.00 -1.21 0.00 0.00 61.69 59.70 1s59 s THR 86 Cb -0.08 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1s59 s THR 86 CO 0.01 -0.34 0.32 -0.47 -2.21 0.00 0.00 174.62 171.94 1s59 s TYR 87 N -1.24 3.24 -0.16 9.09 5.04 -1.26 -0.84 117.35 131.21 1s59 s TYR 87 Ca -0.13 -0.75 -0.05 0.00 -2.44 0.00 0.00 57.07 53.70 1s59 s TYR 87 Cb -0.07 -2.77 -0.03 0.00 0.35 0.00 0.00 41.96 39.43 1s59 s TYR 87 CO 0.02 -0.67 0.01 0.42 -1.34 0.00 0.00 175.55 173.99 1s59 s ILE 88 N 1.65 4.33 -0.07 3.14 1.01 -0.67 -2.02 121.20 128.56 1s59 s ILE 88 Ca 0.04 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1s59 s ILE 88 Cb -0.21 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1s59 s ILE 88 CO 0.08 0.49 -0.15 -0.32 0.00 0.00 0.00 174.94 175.05 1s59 s MET 89 N 0.25 1.98 -0.43 2.79 -2.45 0.36 -1.40 119.30 120.40 1s59 s MET 89 Ca 0.00 -0.51 -0.25 0.00 -1.25 0.00 0.00 55.69 53.68 1s59 s MET 89 Cb -0.13 -1.59 0.02 0.00 1.25 0.00 0.00 34.83 34.38 1s59 s MET 89 CO 0.02 0.06 0.88 0.08 1.05 0.00 0.00 175.02 177.11 1s59 s VAL 90 N 0.59 4.55 0.73 10.11 1.01 -0.71 0.30 120.40 136.97 1s59 s VAL 90 Ca -0.15 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1s59 s VAL 90 Cb -0.16 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.88 1s59 s VAL 90 CO 0.05 -0.71 1.10 -0.54 0.00 0.00 0.00 175.10 175.00 1s59 s LYS 91 N 3.55 2.46 0.19 2.72 1.02 0.13 -2.05 119.74 127.76 1s59 s LYS 91 Ca 0.35 1.28 -0.06 0.00 0.02 0.00 0.00 55.97 57.57 1s59 s LYS 91 Cb -0.11 -1.92 0.30 0.00 -0.52 0.00 0.00 37.83 35.58 1s59 s LYS 91 CO 0.23 -1.50 1.06 -2.30 -0.92 0.00 0.00 175.35 171.92 1s59 n PRO 92 N -3.04 -0.07 -0.18 -1.68 -0.02 -1.24 0.51 135.00 129.27 1s59 n PRO 92 Ca 0.10 1.05 0.01 0.00 -2.02 0.00 0.00 63.50 62.64 1s59 n PRO 92 Cb 0.52 -1.57 0.27 0.00 -0.02 0.00 0.00 33.50 32.70 1s59 n PRO 92 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1s59 h ASP 93 N 0.00 0.80 -0.91 2.55 2.03 -1.88 -1.87 116.42 117.15 1s59 h ASP 93 Ca 0.32 -0.02 0.08 0.00 -0.73 0.00 0.00 57.03 56.67 1s59 h ASP 93 Cb 0.49 -0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 38.72 1s59 h ASP 93 CO -0.69 0.59 0.59 1.23 -1.03 0.00 0.00 179.24 179.92 1s59 h GLY 94 N 0.95 1.35 0.47 7.15 0.00 -0.12 -0.99 103.07 111.89 1s59 h GLY 94 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1s59 h GLY 94 CO -0.05 0.26 -0.10 -2.22 0.00 0.00 0.00 176.54 174.42 1s59 h ILE 95 N 0.99 0.78 -1.04 2.60 5.03 -1.31 -0.14 117.51 124.41 1s59 h ILE 95 Ca 0.41 -0.92 0.27 0.00 -0.12 0.00 0.00 64.86 64.50 1s59 h ILE 95 Cb 0.29 1.25 -0.09 0.00 -3.03 0.00 0.00 36.82 35.24 1s59 h ILE 95 CO -0.17 0.18 0.68 1.56 -0.68 0.00 0.00 178.15 179.72 1s59 h GLN 96 N -0.82 0.33 -0.43 2.37 1.08 -0.96 0.41 115.11 117.09 1s59 h GLN 96 Ca -0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1s59 h GLN 96 Cb 0.51 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1s59 h GLN 96 CO 0.05 0.22 0.00 0.54 -0.95 0.00 0.00 178.83 178.69 1s59 n ARG 97 N -4.57 2.01 -3.57 1.46 1.74 -0.41 -4.94 116.66 108.38 1s59 n ARG 97 Ca 0.25 -1.53 -0.20 0.00 -0.77 0.00 0.00 57.85 55.59 1s59 n ARG 97 Cb 0.91 -1.34 0.05 0.00 -1.02 0.00 0.00 32.46 31.06 1s59 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s59 n GLY 98 N 1.16 -0.52 0.24 -0.13 0.00 0.14 -4.93 105.19 101.15 1s59 n GLY 98 Ca 0.14 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.41 1s59 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s59 n LEU 99 N -4.07 2.09 -0.16 0.99 4.77 -0.08 -4.71 117.00 115.84 1s59 n LEU 99 Ca -0.24 -1.71 -0.04 0.00 -0.03 0.00 0.00 56.01 53.98 1s59 n LEU 99 Cb 0.66 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1s59 n LEU 99 CO 0.65 0.51 1.02 0.58 -1.33 0.00 0.00 177.39 178.82 1s59 h VAL 100 N 0.84 0.96 0.12 4.08 2.07 -1.89 -2.60 116.25 119.82 1s59 h VAL 100 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1s59 h VAL 100 Cb 0.48 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1s59 h VAL 100 CO 0.00 0.09 -0.06 1.23 0.02 0.00 0.00 177.57 178.85 1s59 h GLY 101 N 0.50 -0.16 1.29 2.17 0.00 -1.95 -2.31 103.07 102.60 1s59 h GLY 101 Ca 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1s59 h GLY 101 CO -0.15 -0.06 0.33 -2.09 0.00 0.00 0.00 176.54 174.57 1s59 h GLU 102 N -0.27 0.92 -0.33 4.80 4.81 -1.86 0.75 114.58 123.39 1s59 h GLU 102 Ca -0.02 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1s59 h GLU 102 Cb 0.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1s59 h GLU 102 CO 0.03 0.70 -0.08 0.82 -0.73 0.00 0.00 179.01 179.74 1s59 h ILE 103 N 0.92 1.28 -0.68 2.32 2.04 -1.43 -0.13 117.51 121.83 1s59 h ILE 103 Ca 0.23 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1s59 h ILE 103 Cb 0.07 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1s59 h ILE 103 CO -0.03 0.37 0.41 0.40 0.00 0.00 0.00 178.15 179.30 1s59 h ILE 104 N 0.43 1.20 -0.42 -0.67 2.04 -1.07 -2.79 117.51 116.22 1s59 h ILE 104 Ca 0.08 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1s59 h ILE 104 Cb 0.58 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1s59 h ILE 104 CO 0.03 0.21 0.18 0.28 0.00 0.00 0.00 178.15 178.85 1s59 h SER 105 N 0.93 0.24 -0.80 1.72 0.02 -0.40 -0.49 113.55 114.78 1s59 h SER 105 Ca 0.24 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.38 1s59 h SER 105 Cb -0.02 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1s59 h SER 105 CO -0.05 0.18 0.53 0.03 -1.14 0.00 0.00 176.83 176.38 1s59 h ARG 106 N 0.38 0.46 0.07 3.45 3.08 -0.75 0.65 114.38 121.72 1s59 h ARG 106 Ca 0.19 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.94 1s59 h ARG 106 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1s59 h ARG 106 CO -0.16 0.31 -1.34 0.74 -1.07 0.00 0.00 179.97 178.45 1s59 h PHE 107 N 0.48 0.27 -0.50 3.04 0.04 -1.37 -2.01 116.94 116.89 1s59 h PHE 107 Ca 0.39 -0.20 -0.13 0.00 2.80 0.00 0.00 57.97 60.84 1s59 h PHE 107 Cb 0.84 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1s59 h PHE 107 CO -0.00 1.20 -0.19 0.93 -0.60 0.00 0.00 178.31 179.65 1s59 h GLU 108 N 0.04 1.01 -0.55 1.51 5.08 0.32 -2.74 114.58 119.25 1s59 h GLU 108 Ca -0.16 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.69 1s59 h GLU 108 Cb 1.93 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1s59 h GLU 108 CO 0.15 1.10 -0.02 0.87 -1.00 0.00 0.00 179.01 180.11 1s59 h LYS 109 N 0.87 0.98 -0.82 2.33 1.79 0.19 -2.82 116.57 119.08 1s59 h LYS 109 Ca 0.12 -0.32 0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1s59 h LYS 109 Cb 0.77 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 1s59 h LYS 109 CO 0.06 1.00 0.54 -0.22 -1.08 0.00 0.00 179.45 179.75 1s59 h LYS 110 N 0.86 0.84 0.00 3.15 1.63 -1.23 -3.46 116.57 118.36 1s59 h LYS 110 Ca 0.15 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1s59 h LYS 110 Cb 0.57 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1s59 h LYS 110 CO 0.03 0.55 0.00 0.41 -3.45 0.00 0.00 179.45 176.99 1s59 n GLY 111 N -1.42 1.65 3.94 5.01 0.00 -1.06 -5.10 105.19 108.20 1s59 n GLY 111 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1s59 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s59 s PHE 112 N -2.00 3.13 -0.20 1.61 0.08 -1.06 -5.05 117.98 114.49 1s59 s PHE 112 Ca 0.00 0.33 -0.06 0.00 0.12 0.00 0.00 56.93 57.31 1s59 s PHE 112 Cb 0.00 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1s59 s PHE 112 CO 0.00 -0.69 0.04 0.21 -0.10 0.00 0.00 175.22 174.68 1s59 s LYS 113 N -4.79 3.77 -0.32 0.44 2.20 -0.87 -4.63 119.74 115.54 1s59 s LYS 113 Ca 0.53 -0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 55.43 1s59 s LYS 113 Cb -0.10 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1s59 s LYS 113 CO 0.41 0.07 0.93 -1.17 -0.36 0.00 0.00 175.35 175.23 1s59 s LEU 114 N 0.89 4.02 0.00 5.43 2.96 -1.26 -0.92 118.68 129.79 1s59 s LEU 114 Ca 0.03 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 1s59 s LEU 114 Cb -0.14 -3.30 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1s59 s LEU 114 CO 0.02 -0.75 0.60 2.30 -1.32 0.00 0.00 176.35 177.20 1s59 n ILE 115 N 5.71 0.00 -3.69 6.68 -5.35 -0.31 -4.96 119.36 117.44 1s59 n ILE 115 Ca 0.08 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.96 1s59 n ILE 115 Cb 0.48 1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 39.34 1s59 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s59 s GLY 116 N -0.28 -0.32 -0.24 3.28 0.00 -0.72 0.27 107.32 109.30 1s59 s GLY 116 Ca 0.04 1.50 -0.20 0.00 0.00 0.00 0.00 44.72 46.06 1s59 s GLY 116 CO 0.04 1.83 0.63 -2.27 0.00 0.00 0.00 173.10 173.34 1s59 s LEU 117 N 1.68 -0.55 -0.29 0.66 2.96 -1.24 -0.18 118.68 121.72 1s59 s LEU 117 Ca -0.08 1.31 -0.24 0.00 -0.22 0.00 0.00 54.13 54.90 1s59 s LEU 117 Cb -0.09 2.17 0.17 0.00 0.50 0.00 0.00 46.19 48.94 1s59 s LEU 117 CO -0.13 -0.22 1.30 -1.59 -1.32 0.00 0.00 176.35 174.39 1s59 s LYS 118 N 0.76 0.20 -0.12 1.98 -2.85 -0.20 -4.96 119.74 114.55 1s59 s LYS 118 Ca -0.03 0.25 -0.28 0.00 -1.00 0.00 0.00 55.97 54.91 1s59 s LYS 118 Cb -0.05 0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1s59 s LYS 118 CO -0.06 -0.03 0.92 1.41 0.10 0.00 0.00 175.35 177.70 1s59 s MET 119 N 0.16 4.38 0.03 1.78 -2.45 -1.26 0.37 119.30 122.31 1s59 s MET 119 Ca 0.05 1.22 0.03 0.00 -1.25 0.00 0.00 55.69 55.74 1s59 s MET 119 Cb -0.05 -3.54 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 1s59 s MET 119 CO -0.13 -0.29 -0.10 0.12 1.05 0.00 0.00 175.02 175.68 1s59 s PHE 120 N 1.95 0.86 -0.55 4.11 5.36 0.16 -4.94 117.98 124.93 1s59 s PHE 120 Ca 0.44 -0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 55.96 1s59 s PHE 120 Cb -0.18 -0.52 0.14 0.00 -0.34 0.00 0.00 43.02 42.12 1s59 s PHE 120 CO 0.16 -0.01 0.46 -1.14 -1.46 0.00 0.00 175.22 173.22 1s59 s GLN 121 N -1.02 2.80 -0.06 10.12 2.00 -1.26 -1.31 119.66 130.93 1s59 s GLN 121 Ca -0.02 -1.87 -0.29 0.00 -2.00 0.00 0.00 55.36 51.17 1s59 s GLN 121 Cb -0.07 -4.11 -0.07 0.00 0.80 0.00 0.00 33.01 29.55 1s59 s GLN 121 CO 0.01 -1.26 2.04 0.00 -0.50 0.00 0.00 175.29 175.58 1s59 s PRO 123 N 5.11 4.38 0.33 0.00 0.04 -1.26 -4.72 135.00 138.88 1s59 s PRO 123 Ca 0.92 1.70 0.11 0.00 0.04 0.00 0.00 61.00 63.77 1s59 s PRO 123 Cb -0.39 -2.88 0.96 0.00 0.04 0.00 0.00 34.50 32.23 1s59 s PRO 123 CO 0.39 0.01 1.69 -0.22 0.04 0.00 0.00 177.00 178.90 1s59 h LYS 124 N 3.17 0.39 -0.27 4.56 3.64 -1.95 -0.47 116.57 125.64 1s59 h LYS 124 Ca -0.48 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1s59 h LYS 124 Cb 1.22 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1s59 h LYS 124 CO 0.65 0.26 0.10 1.05 -2.27 0.00 0.00 179.45 179.24 1s59 h GLU 125 N 0.40 0.41 -0.38 1.90 9.09 -2.00 -1.83 114.58 122.18 1s59 h GLU 125 Ca 0.68 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 60.00 1s59 h GLU 125 Cb 1.43 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 28.45 1s59 h GLU 125 CO -0.56 0.45 0.21 1.25 0.05 0.00 0.00 179.01 180.41 1s59 h LEU 126 N 0.29 0.48 -1.45 3.06 6.46 -1.50 -2.02 115.31 120.63 1s59 h LEU 126 Ca 0.09 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1s59 h LEU 126 Cb 0.19 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1s59 h LEU 126 CO -0.01 0.43 0.39 0.00 -0.62 0.00 0.00 178.44 178.63 1s59 h ALA 127 N 1.07 1.64 -0.53 1.25 0.00 -1.21 -1.66 119.26 119.83 1s59 h ALA 127 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1s59 h ALA 127 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1s59 h ALA 127 CO -0.02 0.32 0.22 0.93 0.00 0.00 0.00 179.25 180.70 1s59 h GLU 128 N 0.74 0.78 -0.49 0.00 5.08 -0.62 -2.40 114.58 117.67 1s59 h GLU 128 Ca 0.22 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1s59 h GLU 128 Cb -0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1s59 h GLU 128 CO -0.06 0.68 -0.06 0.93 -1.00 0.00 0.00 179.01 179.50 1s59 h GLU 129 N 0.71 0.87 -0.42 2.33 4.39 -0.91 -2.31 114.58 119.24 1s59 h GLU 129 Ca 0.18 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1s59 h GLU 129 Cb 0.18 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1s59 h GLU 129 CO -0.02 0.90 0.21 1.25 -1.16 0.00 0.00 179.01 180.19 1s59 h HIS 130 N 0.79 0.39 -0.84 4.33 2.76 -1.02 -2.68 115.15 118.88 1s59 h HIS 130 Ca 0.14 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.99 1s59 h HIS 130 Cb 0.55 -0.11 -0.20 0.00 1.55 0.00 0.00 27.41 29.20 1s59 h HIS 130 CO 0.03 0.20 0.43 0.66 -1.30 0.00 0.00 177.93 177.95 1s59 n TYR 131 N -4.91 2.70 -0.06 5.26 4.01 -0.93 -4.67 117.16 118.57 1s59 n TYR 131 Ca 0.02 -1.45 0.13 0.00 -0.16 0.00 0.00 57.90 56.44 1s59 n TYR 131 Cb 0.10 -0.79 0.53 0.00 -0.31 0.00 0.00 39.34 38.87 1s59 n TYR 131 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1s59 h LYS 132 N 2.02 0.33 0.00 -0.72 2.10 -1.05 -1.05 116.57 118.20 1s59 h LYS 132 Ca 0.41 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1s59 h LYS 132 Cb 2.55 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.80 1s59 h LYS 132 CO 0.89 0.22 0.00 -0.25 -2.00 0.00 0.00 179.45 178.31 1s59 n ASP 133 N -4.46 0.47 -0.48 7.07 10.43 -1.26 -2.16 116.55 126.15 1s59 n ASP 133 Ca 0.09 0.62 0.06 0.00 2.57 0.00 0.00 54.79 58.13 1s59 n ASP 133 Cb 0.39 -0.72 0.05 0.00 1.84 0.00 0.00 41.12 42.68 1s59 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s59 n LEU 134 N -2.03 2.02 0.15 0.64 4.77 -0.42 -4.65 117.00 117.48 1s59 n LEU 134 Ca 0.02 -1.03 0.18 0.00 -0.03 0.00 0.00 56.01 55.15 1s59 n LEU 134 Cb 0.20 -0.01 0.68 0.00 -2.33 0.00 0.00 43.42 41.96 1s59 n LEU 134 CO 0.17 0.38 1.16 0.77 -1.33 0.00 0.00 177.39 178.55 1s59 h SER 135 N 2.31 0.00 1.10 -1.43 4.64 -1.19 0.74 113.55 119.72 1s59 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s59 h SER 135 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1s59 h SER 135 CO 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.64 1s59 n ALA 136 N -2.12 2.67 -1.77 5.18 0.00 -1.26 -4.88 120.51 118.32 1s59 n ALA 136 Ca 0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1s59 n ALA 136 Cb 0.67 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1s59 n ALA 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s59 s LYS 137 N -3.12 4.17 0.51 0.00 -0.14 0.26 -4.94 119.74 116.49 1s59 s LYS 137 Ca 0.09 1.74 0.28 0.00 -1.36 0.00 0.00 55.97 56.72 1s59 s LYS 137 Cb 0.14 -2.71 1.38 0.00 -1.68 0.00 0.00 37.83 34.96 1s59 s LYS 137 CO 0.66 -0.19 2.03 0.66 -0.76 0.00 0.00 175.35 177.75 1s59 h SER 138 N 2.77 0.00 -0.09 2.83 4.64 -1.90 -1.83 113.55 119.97 1s59 h SER 138 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s59 h SER 138 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1s59 h SER 138 CO 0.63 0.13 0.00 2.22 -0.87 0.00 0.00 176.83 178.94 1s59 n PHE 139 N -3.55 0.10 -0.33 4.77 1.16 -1.26 -4.33 117.46 114.02 1s59 n PHE 139 Ca -0.01 -0.05 0.16 0.00 -1.87 0.00 0.00 57.45 55.67 1s59 n PHE 139 Cb 0.27 0.00 0.36 0.00 -1.61 0.00 0.00 39.48 38.50 1s59 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s59 h PHE 140 N 2.75 0.87 -1.01 2.97 3.57 -1.56 0.74 116.94 125.28 1s59 h PHE 140 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1s59 h PHE 140 Cb 0.59 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1s59 h PHE 140 CO 0.05 0.01 0.65 -1.35 -2.23 0.00 0.00 178.31 175.45 1s59 h PRO 141 N 0.50 1.19 -0.41 6.41 0.11 -1.81 -2.25 132.00 135.74 1s59 h PRO 141 Ca 0.61 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.62 1s59 h PRO 141 Cb 1.18 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1s59 h PRO 141 CO -0.50 0.79 0.13 -0.91 -0.21 0.00 0.00 178.00 177.30 1s59 h ASN 142 N 1.23 0.60 -0.35 -2.05 2.35 -1.17 0.19 115.58 116.37 1s59 h ASN 142 Ca 0.42 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1s59 h ASN 142 Cb 0.08 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1s59 h ASN 142 CO -0.15 0.64 0.20 -0.07 -1.65 0.00 0.00 177.43 176.40 1s59 h LEU 143 N 0.52 0.32 0.03 1.61 3.38 -1.14 0.84 115.31 120.88 1s59 h LEU 143 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s59 h LEU 143 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s59 h LEU 143 CO -0.01 0.23 -0.02 0.40 0.09 0.00 0.00 178.44 179.14 1s59 h ILE 144 N 0.41 1.18 0.01 1.22 1.08 -1.23 -0.55 117.51 119.62 1s59 h ILE 144 Ca 0.14 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1s59 h ILE 144 Cb 0.01 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1s59 h ILE 144 CO -0.07 0.17 -0.13 -0.08 -0.69 0.00 0.00 178.15 177.36 1s59 h GLU 145 N -0.34 -0.21 -0.17 2.37 4.22 -0.43 -2.36 114.58 117.66 1s59 h GLU 145 Ca -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1s59 h GLU 145 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1s59 h GLU 145 CO 0.01 -0.14 0.08 -0.92 -2.18 0.00 0.00 179.01 175.86 1s59 h TYR 146 N -0.22 0.25 0.00 0.92 3.20 0.73 -0.45 116.97 121.40 1s59 h TYR 146 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1s59 h TYR 146 Cb 0.27 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1s59 h TYR 146 CO -0.18 0.27 0.00 1.51 -1.64 0.00 0.00 178.16 178.12 1s59 n ILE 147 N -4.89 1.14 0.53 1.81 0.00 -0.22 -1.50 119.36 116.22 1s59 n ILE 147 Ca -0.04 0.28 0.05 0.00 0.00 0.00 0.00 62.75 63.05 1s59 n ILE 147 Cb 0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 39.64 38.59 1s59 n ILE 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s59 n THR 148 N -1.45 0.00 0.30 9.51 -1.04 -0.87 -4.56 114.28 116.17 1s59 n THR 148 Ca 0.03 -0.29 0.18 0.00 -2.04 0.00 0.00 64.05 61.94 1s59 n THR 148 Cb 0.12 1.05 0.97 0.00 -1.82 0.00 0.00 70.33 70.65 1s59 n THR 148 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1s59 h SER 149 N 0.50 0.00 -5.34 8.00 4.64 0.01 -3.46 113.55 117.89 1s59 h SER 149 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1s59 h SER 149 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1s59 h SER 149 CO 0.00 0.03 0.53 -0.83 -0.87 0.00 0.00 176.83 175.69 1s59 s GLY 150 N -4.16 0.14 0.83 -0.77 0.00 -1.26 -5.11 107.32 96.98 1s59 s GLY 150 Ca -0.03 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.17 1s59 s GLY 150 CO 0.49 1.88 1.12 -1.05 0.00 0.00 0.00 173.10 175.54 1s59 n PRO 151 N -0.66 0.07 -4.11 2.90 -0.02 -1.26 -4.72 135.00 127.20 1s59 n PRO 151 Ca -0.04 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 1s59 n PRO 151 Cb 0.60 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1s59 n PRO 151 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s59 s VAL 152 N -2.20 0.08 -0.18 -1.45 -7.23 -0.43 -3.73 120.40 105.25 1s59 s VAL 152 Ca 0.71 -1.79 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1s59 s VAL 152 Cb -0.28 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.60 1s59 s VAL 152 CO 0.53 -0.35 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.13 1s59 s VAL 153 N -4.05 2.48 -0.05 1.32 1.01 -0.87 0.40 120.40 120.66 1s59 s VAL 153 Ca 0.25 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1s59 s VAL 153 Cb 0.06 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1s59 s VAL 153 CO 0.03 0.51 0.46 0.00 0.00 0.00 0.00 175.10 176.10 1s59 s MET 155 N -0.26 0.45 -0.17 0.00 -1.94 -0.49 -1.03 119.30 115.85 1s59 s MET 155 Ca 0.25 -0.52 -0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1s59 s MET 155 Cb -0.16 -0.28 0.05 0.00 2.01 0.00 0.00 34.83 36.44 1s59 s MET 155 CO 0.13 0.06 -0.04 0.00 -0.01 0.00 0.00 175.02 175.15 1s59 s ALA 156 N -0.91 1.45 0.11 3.03 0.00 0.75 -1.67 121.76 124.51 1s59 s ALA 156 Ca -0.06 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1s59 s ALA 156 Cb -0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1s59 s ALA 156 CO 0.00 -0.86 -0.05 -1.58 0.00 0.00 0.00 175.76 173.27 1s59 s TRP 157 N 1.65 2.85 0.07 0.00 0.52 -0.02 -1.16 118.94 122.85 1s59 s TRP 157 Ca -0.00 -0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.08 1s59 s TRP 157 Cb -0.16 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1s59 s TRP 157 CO -0.07 0.46 -0.18 -2.00 0.02 0.00 0.00 176.95 175.18 1s59 s GLU 158 N -2.37 1.06 0.00 4.98 2.12 -0.09 -0.84 118.70 123.56 1s59 s GLU 158 Ca 0.24 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1s59 s GLU 158 Cb -0.11 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.09 1s59 s GLU 158 CO 0.16 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.58 1s59 n GLY 159 N 1.40 3.51 3.69 -1.50 0.00 -0.09 -2.06 105.19 110.13 1s59 n GLY 159 Ca -0.19 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1s59 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s59 s VAL 160 N -2.00 3.11 -0.73 1.61 1.01 -1.26 -1.71 120.40 120.43 1s59 s VAL 160 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1s59 s VAL 160 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1s59 s VAL 160 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1s59 n GLY 161 N 3.99 0.86 0.32 4.51 0.00 -1.26 -4.91 105.19 108.70 1s59 n GLY 161 Ca 0.16 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1s59 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s59 h VAL 162 N 0.00 1.03 0.43 1.61 3.04 -1.66 -2.63 116.25 118.07 1s59 h VAL 162 Ca -0.14 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1s59 h VAL 162 Cb 0.64 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1s59 h VAL 162 CO 0.21 0.08 -0.21 0.58 -1.01 0.00 0.00 177.57 177.22 1s59 h VAL 163 N 0.44 0.00 -0.27 1.51 2.07 -1.86 0.35 116.25 118.49 1s59 h VAL 163 Ca 0.17 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1s59 h VAL 163 Cb 0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1s59 h VAL 163 CO -0.04 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.79 1s59 h ALA 164 N -1.66 2.05 -0.03 1.67 0.00 -1.90 -1.80 119.26 117.60 1s59 h ALA 164 Ca -0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1s59 h ALA 164 Cb 0.44 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1s59 h ALA 164 CO 0.10 -0.38 -0.63 1.03 0.00 0.00 0.00 179.25 179.37 1s59 h SER 165 N 0.00 0.60 -0.91 0.00 0.87 -1.39 -3.05 113.55 109.68 1s59 h SER 165 Ca 0.13 -0.73 0.02 0.00 -1.23 0.00 0.00 61.79 59.98 1s59 h SER 165 Cb 0.60 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1s59 h SER 165 CO -0.00 1.24 0.60 0.00 -0.53 0.00 0.00 176.83 178.14 1s59 h ALA 166 N 0.37 1.38 0.00 6.23 0.00 -0.06 0.55 119.26 127.74 1s59 h ALA 166 Ca -0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1s59 h ALA 166 Cb 1.31 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1s59 h ALA 166 CO 0.12 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 1s59 h ARG 167 N 1.19 0.00 -0.02 0.00 2.47 -1.51 -1.58 114.38 114.93 1s59 h ARG 167 Ca 0.34 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.81 1s59 h ARG 167 Cb -0.07 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1s59 h ARG 167 CO -0.09 0.29 -1.00 -0.22 0.56 0.00 0.00 179.97 179.51 1s59 h LYS 168 N 0.00 0.66 0.00 0.04 3.64 -0.85 -1.70 116.57 118.37 1s59 h LYS 168 Ca -0.00 -0.69 -0.09 0.00 -1.27 0.00 0.00 60.65 58.60 1s59 h LYS 168 Cb 0.59 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1s59 h LYS 168 CO 0.04 1.28 -0.43 -0.07 -2.27 0.00 0.00 179.45 178.00 1s59 h LEU 169 N 0.38 0.00 0.12 5.20 3.38 -0.95 -3.25 115.31 120.19 1s59 h LEU 169 Ca -0.11 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.56 1s59 h LEU 169 Cb 1.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.42 1s59 h LEU 169 CO 0.19 0.43 -1.26 0.40 0.09 0.00 0.00 178.44 178.29 1s59 h ILE 170 N 0.00 1.34 0.00 1.22 2.04 -1.23 0.46 117.51 121.33 1s59 h ILE 170 Ca -0.00 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1s59 h ILE 170 Cb 1.09 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1s59 h ILE 170 CO 0.06 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.60 1s59 n GLY 171 N 1.43 -0.56 3.54 5.37 0.00 -0.65 -1.85 105.19 112.48 1s59 n GLY 171 Ca -0.13 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1s59 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s59 n LYS 172 N -0.43 0.92 -0.25 1.61 5.02 -1.26 -4.88 118.16 118.88 1s59 n LYS 172 Ca 0.00 0.34 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1s59 n LYS 172 Cb 0.00 -1.84 0.11 0.00 -0.02 0.00 0.00 35.03 33.28 1s59 n LYS 172 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s59 h THR 173 N 0.97 0.30 -2.77 -0.18 2.02 -1.97 -3.34 112.91 107.94 1s59 h THR 173 Ca -0.44 -0.01 -0.56 0.00 0.77 0.00 0.00 66.41 66.17 1s59 h THR 173 Cb 1.37 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.95 1s59 h THR 173 CO 0.53 0.01 0.94 -0.62 0.37 0.00 0.00 175.52 176.74 1s59 s ASP 174 N -5.22 6.28 0.29 4.18 2.15 -1.26 -4.48 116.67 118.61 1s59 s ASP 174 Ca -0.14 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.56 1s59 s ASP 174 Cb 0.22 -2.53 0.69 0.00 -0.30 0.00 0.00 42.92 40.99 1s59 s ASP 174 CO 0.75 -1.62 1.61 -0.65 -0.17 0.00 0.00 175.17 175.09 1s59 h PRO 175 N 9.75 0.08 -0.78 4.34 0.11 -1.85 0.79 132.00 144.44 1s59 h PRO 175 Ca -0.27 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.06 1s59 h PRO 175 Cb 1.06 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1s59 h PRO 175 CO 1.22 0.05 0.56 -0.07 -0.21 0.00 0.00 178.00 179.55 1s59 h LEU 176 N 0.08 0.02 0.00 2.35 3.38 -1.80 -0.46 115.31 118.88 1s59 h LEU 176 Ca 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.45 1s59 h LEU 176 Cb 1.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1s59 h LEU 176 CO -0.79 0.01 -1.86 0.00 0.09 0.00 0.00 178.44 175.89 1s59 n GLN 177 N -4.31 0.65 -1.70 1.13 1.13 0.26 -4.93 117.38 109.61 1s59 n GLN 177 Ca 0.16 -0.08 -0.38 0.00 -1.94 0.00 0.00 57.00 54.75 1s59 n GLN 177 Cb 0.84 -1.59 0.05 0.00 0.11 0.00 0.00 30.24 29.64 1s59 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s59 n ALA 178 N -2.34 1.03 -1.90 -1.58 0.00 -0.08 -4.82 120.51 110.81 1s59 n ALA 178 Ca -0.09 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1s59 n ALA 178 Cb 0.69 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1s59 n ALA 178 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s59 s GLU 179 N -2.85 4.50 -0.04 0.00 0.41 -1.26 -4.50 118.70 114.95 1s59 s GLU 179 Ca 0.74 1.17 -0.35 0.00 -0.41 0.00 0.00 54.97 56.12 1s59 s GLU 179 Cb -0.42 -2.92 -0.13 0.00 -1.78 0.00 0.00 34.13 28.88 1s59 s GLU 179 CO 0.48 0.37 1.77 -2.30 -0.49 0.00 0.00 175.26 175.09 1s59 n PRO 180 N 0.80 2.01 0.00 0.39 -0.02 -1.26 -1.00 135.00 135.92 1s59 n PRO 180 Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1s59 n PRO 180 Cb 0.50 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1s59 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s59 n GLY 181 N 4.06 1.12 3.89 -1.23 0.00 -1.26 -4.97 105.19 106.79 1s59 n GLY 181 Ca 0.22 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1s59 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s59 s THR 182 N -0.68 2.86 0.04 2.61 -4.23 -0.17 -4.86 115.64 111.20 1s59 s THR 182 Ca 0.00 0.26 -0.32 0.00 -1.18 0.00 0.00 61.69 60.45 1s59 s THR 182 Cb 0.00 -3.27 -0.18 0.00 1.34 0.00 0.00 72.50 70.39 1s59 s THR 182 CO 0.00 -0.35 1.34 0.40 -0.54 0.00 0.00 174.62 175.46 1s59 h ILE 183 N -0.81 0.03 -0.32 2.99 2.04 -0.12 -0.51 117.51 120.82 1s59 h ILE 183 Ca -0.45 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1s59 h ILE 183 Cb 1.29 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1s59 h ILE 183 CO 0.65 0.00 0.15 0.03 0.00 0.00 0.00 178.15 178.98 1s59 h ARG 184 N -1.28 0.44 -0.71 2.37 3.08 -1.61 0.22 114.38 116.89 1s59 h ARG 184 Ca -0.12 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1s59 h ARG 184 Cb 0.87 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1s59 h ARG 184 CO 0.19 0.36 0.23 0.78 -1.07 0.00 0.00 179.97 180.45 1s59 h GLY 185 N 0.57 1.17 0.63 0.04 0.00 -1.68 -1.94 103.07 101.85 1s59 h GLY 185 Ca 0.11 -0.67 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 1s59 h GLY 185 CO -0.02 0.63 -1.72 1.22 0.00 0.00 0.00 176.54 176.66 1s59 n ASP 186 N -4.26 0.56 -0.11 0.19 8.00 -0.22 -4.52 116.55 116.18 1s59 n ASP 186 Ca 0.06 0.25 0.03 0.00 0.71 0.00 0.00 54.79 55.83 1s59 n ASP 186 Cb 0.22 0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1s59 n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s59 n LEU 187 N -2.78 0.85 -4.44 0.64 4.77 0.73 -5.06 117.00 111.71 1s59 n LEU 187 Ca -0.14 -0.75 -0.21 0.00 -0.03 0.00 0.00 56.01 54.88 1s59 n LEU 187 Cb 0.88 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 1s59 n LEU 187 CO 0.43 0.18 -0.26 0.00 -1.33 0.00 0.00 177.39 176.42 1s59 s ALA 188 N -0.99 2.33 0.00 -1.18 0.00 -0.73 -5.00 121.76 116.18 1s59 s ALA 188 Ca 0.04 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1s59 s ALA 188 Cb 0.04 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1s59 s ALA 188 CO 0.14 -0.33 0.00 1.33 0.00 0.00 0.00 175.76 176.90 1s59 n VAL 189 N -0.68 0.00 -3.76 0.00 0.24 -1.26 -4.53 118.33 108.35 1s59 n VAL 189 Ca -0.02 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1s59 n VAL 189 Cb 0.66 0.61 -0.16 0.00 -1.47 0.00 0.00 33.84 33.49 1s59 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s59 s GLN 190 N -0.47 -0.01 0.25 7.34 -0.44 -1.26 -4.20 119.66 120.87 1s59 s GLN 190 Ca 0.00 0.25 0.01 0.00 -2.50 0.00 0.00 55.36 53.12 1s59 s GLN 190 Cb 0.00 -0.25 0.61 0.00 -1.64 0.00 0.00 33.01 31.72 1s59 s GLN 190 CO 0.00 -0.18 1.26 2.41 0.50 0.00 0.00 175.29 179.28 1s59 n THR 191 N 4.29 -0.34 -0.02 -0.34 -1.04 -1.26 0.56 114.28 116.13 1s59 n THR 191 Ca -0.26 1.77 0.01 0.00 -2.04 0.00 0.00 64.05 63.54 1s59 n THR 191 Cb 0.50 -2.59 0.32 0.00 -1.82 0.00 0.00 70.33 66.75 1s59 n THR 191 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1s59 h GLY 192 N 0.00 0.62 -5.19 3.41 0.00 -1.96 -2.97 103.07 96.98 1s59 h GLY 192 Ca 0.49 -0.32 -0.65 0.00 0.00 0.00 0.00 47.33 46.85 1s59 h GLY 192 CO -0.76 0.30 -0.19 0.54 0.00 0.00 0.00 176.54 176.43 1s59 n ARG 193 N -4.34 3.61 -0.68 4.80 5.12 0.19 -4.86 116.66 120.50 1s59 n ARG 193 Ca 0.03 -4.58 -0.12 0.00 -1.93 0.00 0.00 57.85 51.25 1s59 n ARG 193 Cb 0.18 -2.28 0.05 0.00 -1.16 0.00 0.00 32.46 29.24 1s59 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s59 n ASN 194 N -0.32 4.85 0.00 0.55 6.94 -1.07 -4.53 115.26 121.68 1s59 n ASN 194 Ca 0.39 -2.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 1s59 n ASN 194 Cb 0.43 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1s59 n ASN 194 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1s59 n ILE 195 N 0.16 0.00 -4.45 1.53 2.08 -1.26 -4.78 119.36 112.64 1s59 n ILE 195 Ca 0.26 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.35 1s59 n ILE 195 Cb 0.77 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.56 1s59 n ILE 195 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1s59 s VAL 196 N 0.00 1.79 0.00 1.39 0.11 -1.26 0.18 120.40 122.60 1s59 s VAL 196 Ca 0.00 -2.15 0.03 0.00 -2.93 0.00 0.00 61.98 56.93 1s59 s VAL 196 Cb 0.00 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1s59 s VAL 196 CO 0.00 -0.29 -0.08 -2.28 -3.33 0.00 0.00 175.10 169.11 1s59 s HIS 197 N -2.92 0.75 0.01 1.54 2.46 0.15 -4.89 115.29 112.39 1s59 s HIS 197 Ca 0.30 -0.18 0.02 0.00 0.47 0.00 0.00 55.06 55.67 1s59 s HIS 197 Cb 0.03 -0.48 -0.01 0.00 -0.13 0.00 0.00 32.58 31.99 1s59 s HIS 197 CO 0.13 -0.01 -0.07 0.20 -2.47 0.00 0.00 174.74 172.52 1s59 s GLY 198 N -0.37 0.37 0.29 1.59 0.00 -1.26 0.13 107.32 108.07 1s59 s GLY 198 Ca 0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.05 1s59 s GLY 198 CO -0.00 -0.38 1.11 1.44 0.00 0.00 0.00 173.10 175.26 1s59 n SER 199 N 2.54 1.72 -0.12 1.64 7.64 -0.86 -4.87 113.62 121.30 1s59 n SER 199 Ca -0.15 1.18 0.15 0.00 1.01 0.00 0.00 58.87 61.05 1s59 n SER 199 Cb 0.57 -1.33 0.69 0.00 -1.01 0.00 0.00 64.21 63.13 1s59 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s59 n ASP 200 N 1.25 0.43 -3.54 6.43 5.68 -1.26 -4.81 116.55 120.72 1s59 n ASP 200 Ca 0.09 -0.73 -0.12 0.00 -0.50 0.00 0.00 54.79 53.53 1s59 n ASP 200 Cb 0.32 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.18 1s59 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s59 s SER 201 N -2.32 -0.45 0.48 -1.12 1.04 -1.26 -5.00 113.70 105.06 1s59 s SER 201 Ca 0.34 0.39 0.20 0.00 0.48 0.00 0.00 55.95 57.37 1s59 s SER 201 Cb 0.21 0.39 1.22 0.00 0.10 0.00 0.00 66.02 67.93 1s59 s SER 201 CO 0.43 -0.49 1.95 1.55 0.98 0.00 0.00 173.24 177.67 1s59 h PRO 202 N 2.54 0.22 -0.31 4.02 0.13 -1.90 0.21 132.00 136.90 1s59 h PRO 202 Ca -0.22 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1s59 h PRO 202 Cb 1.18 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1s59 h PRO 202 CO 0.33 0.14 -0.29 1.49 -0.23 0.00 0.00 178.00 179.45 1s59 h GLU 203 N 0.22 0.75 0.00 0.86 4.81 -1.95 -3.05 114.58 116.22 1s59 h GLU 203 Ca 0.32 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1s59 h GLU 203 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1s59 h GLU 203 CO -0.06 1.01 0.00 -0.91 -0.73 0.00 0.00 179.01 178.31 1s59 h ASN 204 N 0.51 0.00 -0.04 1.04 -0.26 -1.37 -3.03 115.58 112.43 1s59 h ASN 204 Ca 0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1s59 h ASN 204 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1s59 h ASN 204 CO 0.07 0.00 -0.07 1.23 -1.06 0.00 0.00 177.43 177.60 1s59 h GLY 205 N 3.38 0.13 1.71 2.83 0.00 -0.58 -1.89 103.07 108.66 1s59 h GLY 205 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1s59 h GLY 205 CO 0.00 0.14 -0.01 0.50 0.00 0.00 0.00 176.54 177.16 1s59 h LYS 206 N -0.40 0.36 0.29 4.80 1.57 -1.57 -1.75 116.57 119.87 1s59 h LYS 206 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1s59 h LYS 206 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1s59 h LYS 206 CO 0.02 0.40 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.07 1s59 h ARG 207 N 0.36 -0.37 -0.32 3.15 1.12 -1.45 -2.50 114.38 114.37 1s59 h ARG 207 Ca 0.08 0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 58.88 1s59 h ARG 207 Cb 0.26 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1s59 h ARG 207 CO 0.01 -0.12 -0.20 0.93 -3.11 0.00 0.00 179.97 177.48 1s59 h GLU 208 N -0.59 0.60 -0.04 0.20 5.08 -1.18 -1.27 114.58 117.38 1s59 h GLU 208 Ca -0.04 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1s59 h GLU 208 Cb 0.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1s59 h GLU 208 CO 0.06 0.77 0.01 0.82 -1.00 0.00 0.00 179.01 179.68 1s59 h ILE 209 N 0.54 1.16 0.00 3.13 2.04 -1.35 0.15 117.51 123.17 1s59 h ILE 209 Ca 0.08 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1s59 h ILE 209 Cb 0.65 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1s59 h ILE 209 CO 0.05 0.13 -0.12 1.23 0.00 0.00 0.00 178.15 179.43 1s59 h GLY 210 N -0.11 0.00 0.04 5.37 0.00 -1.37 -1.18 103.07 105.81 1s59 h GLY 210 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1s59 h GLY 210 CO -0.00 0.00 -0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1s59 h LEU 211 N 0.00 -0.01 -0.04 3.11 5.85 -0.73 -3.39 115.31 120.10 1s59 h LEU 211 Ca -0.00 -0.80 -0.25 0.00 0.84 0.00 0.00 57.88 57.67 1s59 h LEU 211 Cb 0.48 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1s59 h LEU 211 CO 0.02 0.88 -1.08 -0.50 -0.34 0.00 0.00 178.44 177.42 1s59 h TRP 212 N -0.97 0.61 -2.97 1.25 4.06 -0.70 -3.45 115.95 113.78 1s59 h TRP 212 Ca -0.00 -0.38 -0.62 0.00 2.06 0.00 0.00 58.89 59.95 1s59 h TRP 212 Cb 0.81 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.86 1s59 h TRP 212 CO 0.22 1.23 -0.27 -0.06 -3.56 0.00 0.00 178.44 176.00 1s59 s PHE 213 N -3.03 3.67 0.30 0.49 0.40 -0.45 -5.07 117.98 114.29 1s59 s PHE 213 Ca -0.06 0.86 -0.28 0.00 -0.60 0.00 0.00 56.93 56.86 1s59 s PHE 213 Cb 0.08 -2.23 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 1s59 s PHE 213 CO 0.88 0.61 0.99 0.15 0.70 0.00 0.00 175.22 178.56 1s59 s LYS 214 N -0.88 4.61 0.41 0.44 1.02 -1.26 -4.69 119.74 119.39 1s59 s LYS 214 Ca 0.21 1.51 0.32 0.00 0.02 0.00 0.00 55.97 58.03 1s59 s LYS 214 Cb -0.15 -2.98 1.08 0.00 -0.52 0.00 0.00 37.83 35.26 1s59 s LYS 214 CO 0.10 0.26 1.07 -0.85 -0.92 0.00 0.00 175.35 175.02 1s59 n GLU 215 N 0.86 0.00 -0.18 1.68 0.28 -1.26 0.85 120.64 122.87 1s59 n GLU 215 Ca 0.01 0.77 0.10 0.00 -0.16 0.00 0.00 57.16 57.88 1s59 n GLU 215 Cb 0.48 -1.82 0.19 0.00 1.43 0.00 0.00 31.44 31.72 1s59 n GLU 215 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s59 n GLY 216 N -1.61 1.71 0.20 -1.84 0.00 -1.26 -4.48 105.19 97.91 1s59 n GLY 216 Ca 0.28 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1s59 n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s59 h GLU 217 N 3.85 0.00 -6.58 1.61 5.08 0.10 -3.45 114.58 115.20 1s59 h GLU 217 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1s59 h GLU 217 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1s59 h GLU 217 CO 0.00 0.00 0.42 -0.51 -1.00 0.00 0.00 179.01 177.92 1s59 s LEU 218 N -6.01 4.47 -0.19 1.33 1.43 -1.26 -4.70 118.68 113.75 1s59 s LEU 218 Ca 0.06 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 55.06 1s59 s LEU 218 Cb 0.06 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.70 1s59 s LEU 218 CO 0.68 -0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.94 1s59 s LYS 220 N 1.25 3.58 0.10 0.00 -0.14 -1.26 -4.44 119.74 118.83 1s59 s LYS 220 Ca 0.03 0.01 -0.24 0.00 -1.36 0.00 0.00 55.97 54.42 1s59 s LYS 220 Cb -0.14 -3.19 0.06 0.00 -1.68 0.00 0.00 37.83 32.89 1s59 s LYS 220 CO -0.07 0.74 0.58 1.67 -0.76 0.00 0.00 175.35 177.51 1s59 s TRP 221 N -1.07 -0.51 -0.26 3.18 1.48 -1.26 -5.14 118.94 115.36 1s59 s TRP 221 Ca 0.19 0.45 -0.13 0.00 -1.06 0.00 0.00 56.10 55.54 1s59 s TRP 221 Cb -0.13 0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 32.60 1s59 s TRP 221 CO 0.08 -0.76 0.28 -0.51 -4.06 0.00 0.00 176.95 171.98 1s59 s ASP 222 N -2.35 6.17 0.10 -2.66 1.01 -1.26 -5.05 116.67 112.63 1s59 s ASP 222 Ca -0.02 0.18 -0.30 0.00 0.71 0.00 0.00 52.55 53.12 1s59 s ASP 222 Cb -0.00 -2.17 -0.07 0.00 1.01 0.00 0.00 42.92 41.69 1s59 s ASP 222 CO -0.07 -0.09 1.22 -0.55 0.21 0.00 0.00 175.17 175.89 1s59 s SER 223 N 1.53 7.06 0.53 0.27 0.15 -1.26 -4.90 113.70 117.09 1s59 s SER 223 Ca 0.12 2.11 0.27 0.00 0.70 0.00 0.00 55.95 59.15 1s59 s SER 223 Cb -0.15 -2.59 1.52 0.00 -1.71 0.00 0.00 66.02 63.08 1s59 s SER 223 CO 0.09 -0.46 2.11 0.00 1.20 0.00 0.00 173.24 176.19 1s59 h ALA 224 N 6.35 1.36 -0.51 5.45 0.00 -2.06 -1.63 119.26 128.22 1s59 h ALA 224 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s59 h ALA 224 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s59 h ALA 224 CO 0.80 0.12 0.00 1.28 0.00 0.00 0.00 179.25 181.45 1s59 n LEU 225 N -3.72 3.36 -0.25 0.00 4.77 -1.26 -4.59 117.00 115.30 1s59 n LEU 225 Ca -0.02 -1.69 0.04 0.00 -0.03 0.00 0.00 56.01 54.32 1s59 n LEU 225 Cb 0.20 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1s59 n LEU 225 CO 0.30 0.67 0.82 0.00 -1.33 0.00 0.00 177.39 177.85 1s59 h ALA 226 N 3.84 0.75 0.00 -1.18 0.00 -1.68 0.28 119.26 121.28 1s59 h ALA 226 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1s59 h ALA 226 Cb 0.97 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1s59 h ALA 226 CO 0.10 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.19 1s59 n THR 227 N -5.34 0.76 0.89 0.00 -2.24 -1.26 -2.49 114.28 104.60 1s59 n THR 227 Ca 0.13 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1s59 n THR 227 Cb 0.45 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 1s59 n THR 227 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1s59 n TRP 228 N -1.81 0.00 -0.03 4.78 7.02 0.02 -4.28 117.44 123.15 1s59 n TRP 228 Ca 0.04 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.41 1s59 n TRP 228 Cb 0.24 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.99 1s59 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s59 n LEU 229 N -0.92 1.13 -3.72 -0.99 4.77 -0.80 -4.97 117.00 111.50 1s59 n LEU 229 Ca 0.05 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1s59 n LEU 229 Cb 0.34 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1s59 n LEU 229 CO 0.33 0.48 0.08 0.00 -1.33 0.00 0.00 177.39 176.96 1s59 s ARG 230 N -2.58 0.85 0.00 3.23 1.70 -1.11 -5.12 118.95 115.91 1s59 s ARG 230 Ca -0.08 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.76 1s59 s ARG 230 Cb 0.08 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1s59 s ARG 230 CO 0.81 -0.28 0.32 0.39 -1.08 0.00 0.00 175.30 175.46