#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1i h PRO 104 N 0.00 0.00 -4.38 5.56 0.11 -1.82 -3.43 132.00 128.04 1a1i h PRO 104 Ca 0.00 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.39 1a1i h PRO 104 Cb 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 30.83 1a1i h PRO 104 CO 0.00 0.00 -0.43 0.71 -0.21 0.00 0.00 178.00 178.07 1a1i s TYR 105 N -3.45 3.37 0.03 0.65 2.02 -0.73 -4.98 117.35 114.26 1a1i s TYR 105 Ca 0.04 -1.66 -0.14 0.00 -0.37 0.00 0.00 57.07 54.94 1a1i s TYR 105 Cb 0.08 -3.20 -0.06 0.00 -0.40 0.00 0.00 41.96 38.39 1a1i s TYR 105 CO 0.55 -0.91 0.43 0.00 -1.57 0.00 0.00 175.55 174.05 1a1i s ALA 106 N 1.40 3.69 0.07 3.71 0.00 -1.26 0.22 121.76 129.58 1a1i s ALA 106 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1a1i s ALA 106 Cb -0.24 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 1a1i s ALA 106 CO 0.01 0.49 1.54 0.00 0.00 0.00 0.00 175.76 177.80 1a1i n PRO 108 N 5.10 0.04 -2.16 0.00 -0.04 -1.26 -4.81 135.00 131.87 1a1i n PRO 108 Ca 0.14 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1a1i n PRO 108 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1a1i n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a1i s VAL 109 N -2.95 3.60 0.24 0.52 1.01 -1.26 -4.93 120.40 116.63 1a1i s VAL 109 Ca 0.12 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.94 1a1i s VAL 109 Cb 0.15 -3.62 0.30 0.00 0.00 0.00 0.00 36.38 33.20 1a1i s VAL 109 CO 0.40 -0.01 1.58 -0.08 0.00 0.00 0.00 175.10 176.99 1a1i h GLU 110 N 8.07 -0.03 0.00 2.72 4.57 -2.04 -1.24 114.58 126.63 1a1i h GLU 110 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1a1i h GLU 110 Cb 1.18 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1a1i h GLU 110 CO 0.91 -0.02 0.00 -1.13 -1.18 0.00 0.00 179.01 177.60 1a1i n SER 111 N -5.51 0.00 -4.71 1.04 3.41 -1.26 -4.81 113.62 101.78 1a1i n SER 111 Ca 0.10 0.38 -0.35 0.00 -0.26 0.00 0.00 58.87 58.75 1a1i n SER 111 Cb 0.41 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 1a1i n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a1i n ASP 113 N 2.89 3.15 -4.77 0.00 8.00 -1.26 -4.71 116.55 119.85 1a1i n ASP 113 Ca -0.18 -3.14 -0.39 0.00 0.71 0.00 0.00 54.79 51.79 1a1i n ASP 113 Cb 0.53 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 1a1i n ASP 113 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a1i s ARG 114 N -2.90 4.45 0.02 -1.24 1.81 -1.26 -4.91 118.95 114.92 1a1i s ARG 114 Ca 0.39 1.74 0.05 0.00 -1.72 0.00 0.00 55.73 56.18 1a1i s ARG 114 Cb 0.33 -2.97 -0.02 0.00 -0.45 0.00 0.00 34.95 31.84 1a1i s ARG 114 CO 0.05 0.06 -0.14 1.03 -0.68 0.00 0.00 175.30 175.62 1a1i s ARG 115 N -1.81 1.02 0.08 3.54 0.52 -1.26 -1.03 118.95 120.00 1a1i s ARG 115 Ca 0.49 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 1a1i s ARG 115 Cb -0.29 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 1a1i s ARG 115 CO 0.38 0.26 -0.21 -0.06 0.02 0.00 0.00 175.30 175.69 1a1i s PHE 116 N -0.61 1.80 0.17 -0.53 0.40 0.13 -4.98 117.98 114.36 1a1i s PHE 116 Ca 0.03 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1a1i s PHE 116 Cb -0.07 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1a1i s PHE 116 CO 0.00 0.16 1.42 0.77 0.70 0.00 0.00 175.22 178.28 1a1i h SER 117 N 4.40 0.54 -4.05 1.36 0.02 -1.89 -1.93 113.55 112.00 1a1i h SER 117 Ca -0.45 -0.35 -0.69 0.00 -0.84 0.00 0.00 61.79 59.46 1a1i h SER 117 Cb 1.17 -0.16 -0.31 0.00 0.14 0.00 0.00 62.40 63.24 1a1i h SER 117 CO 0.41 1.09 -0.88 -0.13 -1.14 0.00 0.00 176.83 176.18 1a1i s ARG 118 N -3.65 2.53 0.40 3.45 0.52 -1.26 -4.67 118.95 116.27 1a1i s ARG 118 Ca -0.06 -0.90 0.10 0.00 -0.52 0.00 0.00 55.73 54.35 1a1i s ARG 118 Cb 0.10 -2.17 0.83 0.00 0.52 0.00 0.00 34.95 34.23 1a1i s ARG 118 CO 0.85 0.40 1.94 0.66 0.02 0.00 0.00 175.30 179.17 1a1i h SER 119 N 6.01 0.21 -0.07 0.23 4.64 -1.95 -2.28 113.55 120.34 1a1i h SER 119 Ca -0.33 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1a1i h SER 119 Cb 1.17 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1a1i h SER 119 CO 0.47 0.35 -0.00 0.00 -0.87 0.00 0.00 176.83 176.78 1a1i h ALA 120 N 1.68 1.74 -0.04 5.18 0.00 -1.99 -0.42 119.26 125.41 1a1i h ALA 120 Ca 0.05 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1a1i h ALA 120 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a1i h ALA 120 CO 0.02 0.20 -0.71 -0.44 0.00 0.00 0.00 179.25 178.31 1a1i h ASP 121 N 0.20 0.25 -0.16 0.00 3.32 -1.85 -2.29 116.42 115.89 1a1i h ASP 121 Ca 0.05 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 1a1i h ASP 121 Cb 0.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1a1i h ASP 121 CO 0.00 0.88 -0.38 0.25 -1.72 0.00 0.00 179.24 178.27 1a1i h LEU 122 N 0.14 0.73 -1.00 1.55 5.85 -1.18 -1.15 115.31 120.25 1a1i h LEU 122 Ca -0.02 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1a1i h LEU 122 Cb 1.27 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1a1i h LEU 122 CO 0.11 1.04 0.48 0.74 -0.34 0.00 0.00 178.44 180.46 1a1i h THR 123 N 0.57 1.25 -0.23 1.05 2.02 -0.89 -0.40 112.91 116.28 1a1i h THR 123 Ca 0.05 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1a1i h THR 123 Cb 0.91 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1a1i h THR 123 CO 0.08 0.27 -0.18 -0.09 0.37 0.00 0.00 175.52 175.97 1a1i h ARG 124 N 1.19 0.53 -0.77 6.66 2.43 -1.21 -3.23 114.38 119.98 1a1i h ARG 124 Ca 0.30 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1a1i h ARG 124 Cb 0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 1a1i h ARG 124 CO -0.05 0.84 0.44 1.25 -1.51 0.00 0.00 179.97 180.94 1a1i h HIS 125 N 0.22 0.81 -0.05 2.20 2.76 -0.77 -2.63 115.15 117.69 1a1i h HIS 125 Ca 0.04 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1a1i h HIS 125 Cb 0.72 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1a1i h HIS 125 CO 0.07 0.37 0.22 0.97 -1.30 0.00 0.00 177.93 178.26 1a1i h ILE 126 N 0.79 0.09 -0.03 6.26 6.09 -1.10 -1.38 117.51 128.23 1a1i h ILE 126 Ca 0.35 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.85 1a1i h ILE 126 Cb 0.25 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 38.33 1a1i h ILE 126 CO -0.21 0.00 0.03 0.03 -3.07 0.00 0.00 178.15 174.94 1a1i h ARG 127 N 0.00 0.00 -0.60 2.19 3.08 -1.60 -1.30 114.38 116.14 1a1i h ARG 127 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1a1i h ARG 127 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1a1i h ARG 127 CO -0.00 0.00 0.33 0.82 -1.07 0.00 0.00 179.97 180.05 1a1i h ILE 128 N 0.00 1.20 0.07 2.04 2.04 -1.46 0.20 117.51 121.60 1a1i h ILE 128 Ca 0.02 -0.50 -0.25 0.00 1.00 0.00 0.00 64.86 65.12 1a1i h ILE 128 Cb 0.08 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1a1i h ILE 128 CO -0.00 0.22 -1.20 0.45 0.00 0.00 0.00 178.15 177.62 1a1i h HIS 129 N 0.82 0.26 0.00 1.37 3.86 -1.46 -3.28 115.15 116.72 1a1i h HIS 129 Ca 0.21 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1a1i h HIS 129 Cb 0.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1a1i h HIS 129 CO -0.01 1.16 -0.36 1.79 0.86 0.00 0.00 177.93 181.37 1a1i h THR 130 N 0.04 0.00 -0.19 2.45 1.35 -1.31 -3.47 112.91 111.78 1a1i h THR 130 Ca -0.10 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 65.15 1a1i h THR 130 Cb 1.90 1.29 -0.03 0.00 -1.73 0.00 0.00 68.15 69.57 1a1i h THR 130 CO 0.16 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 175.97 1a1i n GLY 131 N 1.31 0.66 3.69 5.82 0.00 0.04 -4.99 105.19 111.72 1a1i n GLY 131 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1a1i n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a1i s GLN 132 N -1.75 4.35 -0.50 1.61 0.74 -1.06 -4.97 119.66 118.08 1a1i s GLN 132 Ca 0.00 1.73 0.04 0.00 0.05 0.00 0.00 55.36 57.19 1a1i s GLN 132 Cb 0.00 -3.54 0.17 0.00 1.10 0.00 0.00 33.01 30.74 1a1i s GLN 132 CO 0.00 -0.45 0.38 0.15 -0.55 0.00 0.00 175.29 174.82 1a1i s LYS 133 N 2.15 1.40 0.02 1.67 1.02 -1.26 -4.53 119.74 120.20 1a1i s LYS 133 Ca 0.58 -2.48 0.12 0.00 0.02 0.00 0.00 55.97 54.21 1a1i s LYS 133 Cb -0.26 -2.08 0.52 0.00 -0.52 0.00 0.00 37.83 35.49 1a1i s LYS 133 CO 0.23 -1.34 1.38 -2.30 -0.92 0.00 0.00 175.35 172.40 1a1i n PRO 134 N 2.62 0.01 -3.92 -1.68 -0.02 -1.14 -4.16 135.00 126.72 1a1i n PRO 134 Ca 0.25 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1a1i n PRO 134 Cb 0.43 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 1a1i n PRO 134 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1i s PHE 135 N -3.03 3.14 -0.07 6.00 0.08 -0.85 -4.97 117.98 118.28 1a1i s PHE 135 Ca 0.05 -1.59 -0.04 0.00 0.12 0.00 0.00 56.93 55.47 1a1i s PHE 135 Cb 0.07 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1a1i s PHE 135 CO 0.22 -0.74 0.12 -1.14 -0.10 0.00 0.00 175.22 173.58 1a1i s GLN 136 N 1.32 3.30 -0.24 0.44 0.74 -1.26 -0.43 119.66 123.54 1a1i s GLN 136 Ca -0.01 -0.27 -0.26 0.00 0.05 0.00 0.00 55.36 54.86 1a1i s GLN 136 Cb -0.18 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1a1i s GLN 136 CO -0.02 0.72 0.91 0.00 -0.55 0.00 0.00 175.29 176.35 1a1i n ARG 138 N 6.13 0.13 -0.07 0.00 1.85 -1.26 -0.02 116.66 123.40 1a1i n ARG 138 Ca 0.08 0.32 -0.18 0.00 -1.00 0.00 0.00 57.85 57.07 1a1i n ARG 138 Cb 0.47 -1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 30.03 1a1i n ARG 138 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1a1i h ILE 139 N 0.00 1.40 -0.01 8.89 5.03 -1.97 -3.40 117.51 127.44 1a1i h ILE 139 Ca 0.00 -2.29 0.00 0.00 -0.12 0.00 0.00 64.86 62.45 1a1i h ILE 139 Cb 0.38 2.89 0.00 0.00 -3.03 0.00 0.00 36.82 37.06 1a1i h ILE 139 CO 0.00 0.50 -0.10 0.00 -0.68 0.00 0.00 178.15 177.88 1a1i n MET 141 N 0.08 -0.63 -2.23 0.00 2.81 0.97 -5.01 117.12 113.11 1a1i n MET 141 Ca 0.04 0.16 -0.36 0.00 -1.81 0.00 0.00 57.70 55.73 1a1i n MET 141 Cb 0.20 -3.76 -0.00 0.00 -0.71 0.00 0.00 33.22 28.95 1a1i n MET 141 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1a1i s ARG 142 N -0.77 3.54 0.02 0.03 3.52 -1.25 -4.62 118.95 119.42 1a1i s ARG 142 Ca 0.00 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.35 1a1i s ARG 142 Cb 0.00 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1a1i s ARG 142 CO 0.00 -0.72 0.02 -0.80 -0.81 0.00 0.00 175.30 172.99 1a1i s ASN 143 N -1.52 5.24 0.08 -2.12 0.01 -1.26 -0.65 114.94 114.71 1a1i s ASN 143 Ca 0.68 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.87 1a1i s ASN 143 Cb -0.27 -1.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 1a1i s ASN 143 CO 0.32 0.25 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.66 1a1i s PHE 144 N -1.18 1.22 0.24 2.20 0.40 0.43 -4.98 117.98 116.31 1a1i s PHE 144 Ca 0.22 -0.49 0.16 0.00 -0.60 0.00 0.00 56.93 56.23 1a1i s PHE 144 Cb -0.12 -0.68 0.63 0.00 0.51 0.00 0.00 43.02 43.36 1a1i s PHE 144 CO 0.14 0.06 1.73 0.66 0.70 0.00 0.00 175.22 178.51 1a1i h SER 145 N 4.14 0.00 -4.54 1.36 4.64 -1.86 -2.22 113.55 115.07 1a1i h SER 145 Ca -0.40 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.54 1a1i h SER 145 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.07 1a1i h SER 145 CO 0.42 0.43 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.92 1a1i s ARG 146 N -3.71 0.75 0.26 4.77 0.52 -1.26 -4.60 118.95 115.68 1a1i s ARG 146 Ca -0.01 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1a1i s ARG 146 Cb 0.12 -0.70 0.32 0.00 0.52 0.00 0.00 34.95 35.21 1a1i s ARG 146 CO 0.71 0.15 1.62 0.66 0.02 0.00 0.00 175.30 178.46 1a1i h SER 147 N 4.39 0.33 -0.62 0.23 4.64 -1.96 -2.53 113.55 118.04 1a1i h SER 147 Ca -0.39 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 60.70 1a1i h SER 147 Cb 1.19 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1a1i h SER 147 CO 0.41 0.77 0.15 -2.24 -0.87 0.00 0.00 176.83 175.05 1a1i h ASP 148 N 0.25 0.95 0.70 4.97 2.03 -2.01 -2.41 116.42 120.90 1a1i h ASP 148 Ca 0.01 -0.23 -0.10 0.00 -0.73 0.00 0.00 57.03 55.98 1a1i h ASP 148 Cb 0.95 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 1a1i h ASP 148 CO 0.08 0.93 -0.48 0.45 -1.03 0.00 0.00 179.24 179.19 1a1i h HIS 149 N 0.92 0.00 -0.33 4.15 3.86 -1.97 -2.81 115.15 118.97 1a1i h HIS 149 Ca 0.20 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1a1i h HIS 149 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1a1i h HIS 149 CO 0.03 0.48 -0.03 1.25 0.86 0.00 0.00 177.93 180.52 1a1i h LEU 150 N 0.00 0.59 -0.14 2.43 5.85 -1.18 -2.03 115.31 120.83 1a1i h LEU 150 Ca -0.00 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1a1i h LEU 150 Cb 0.97 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1a1i h LEU 150 CO 0.06 0.78 -0.05 0.74 -0.34 0.00 0.00 178.44 179.64 1a1i h THR 151 N 0.39 0.83 -0.18 1.05 2.02 -1.19 -0.62 112.91 115.21 1a1i h THR 151 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1a1i h THR 151 Cb 0.50 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1a1i h THR 151 CO 0.02 0.00 -0.26 0.71 0.37 0.00 0.00 175.52 176.37 1a1i h THR 152 N -0.03 1.25 -0.71 3.16 1.35 -1.53 -2.56 112.91 113.84 1a1i h THR 152 Ca 0.07 -1.19 -0.03 0.00 -0.55 0.00 0.00 66.41 64.72 1a1i h THR 152 Cb 0.13 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1a1i h THR 152 CO -0.16 0.37 0.35 -0.74 -0.25 0.00 0.00 175.52 175.09 1a1i h HIS 153 N 0.29 1.03 -0.10 4.73 6.17 -0.89 -2.51 115.15 123.87 1a1i h HIS 153 Ca 0.05 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.11 1a1i h HIS 153 Cb 0.61 -0.32 -0.00 0.00 2.52 0.00 0.00 27.41 30.22 1a1i h HIS 153 CO 0.01 0.76 0.08 0.82 0.71 0.00 0.00 177.93 180.31 1a1i h ILE 154 N 1.00 0.80 0.00 6.26 2.04 -0.70 -0.80 117.51 126.11 1a1i h ILE 154 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1a1i h ILE 154 Cb 0.11 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1a1i h ILE 154 CO -0.03 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.15 1a1i h ARG 155 N 0.00 0.00 0.00 2.37 3.08 -1.40 -0.92 114.38 117.51 1a1i h ARG 155 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1a1i h ARG 155 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a1i h ARG 155 CO -0.00 0.00 -0.19 1.79 -1.07 0.00 0.00 179.97 180.50 1a1i h THR 156 N 0.00 0.50 0.11 2.04 1.35 -1.23 0.56 112.91 116.24 1a1i h THR 156 Ca 0.00 -1.01 -0.33 0.00 -0.55 0.00 0.00 66.41 64.52 1a1i h THR 156 Cb 0.33 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1a1i h THR 156 CO 0.00 0.19 -1.77 0.45 -0.25 0.00 0.00 175.52 174.14 1a1i h HIS 157 N 0.00 0.43 0.00 4.73 3.86 -1.31 -3.39 115.15 119.47 1a1i h HIS 157 Ca -0.00 -0.31 -0.10 0.00 -1.16 0.00 0.00 60.37 58.79 1a1i h HIS 157 Cb 0.69 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1a1i h HIS 157 CO 0.00 1.70 -0.74 1.79 0.86 0.00 0.00 177.93 181.54 1a1i h THR 158 N -0.15 0.60 0.00 2.45 1.35 -1.43 -3.48 112.91 112.25 1a1i h THR 158 Ca -0.39 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1a1i h THR 158 Cb 1.89 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1a1i h THR 158 CO 0.05 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1a1i n GLY 159 N 1.25 0.58 3.68 5.82 0.00 0.18 -5.01 105.19 111.70 1a1i n GLY 159 Ca -0.01 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1a1i n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1i s GLU 160 N -0.25 4.23 -0.42 1.61 2.12 -1.22 -4.96 118.70 119.80 1a1i s GLU 160 Ca 0.00 2.15 0.02 0.00 0.36 0.00 0.00 54.97 57.50 1a1i s GLU 160 Cb 0.00 -3.67 0.15 0.00 0.26 0.00 0.00 34.13 30.87 1a1i s GLU 160 CO 0.00 -0.70 0.28 0.15 -0.54 0.00 0.00 175.26 174.45 1a1i s LYS 161 N 2.85 1.01 0.10 4.30 1.02 -1.26 -4.39 119.74 123.37 1a1i s LYS 161 Ca 0.69 -1.91 0.20 0.00 0.02 0.00 0.00 55.97 54.97 1a1i s LYS 161 Cb -0.35 -1.79 0.83 0.00 -0.52 0.00 0.00 37.83 36.00 1a1i s LYS 161 CO 0.29 -1.26 1.63 -2.30 -0.92 0.00 0.00 175.35 172.79 1a1i n PRO 162 N 3.37 0.08 -3.79 -1.68 -0.02 -1.13 -4.36 135.00 127.48 1a1i n PRO 162 Ca 0.17 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 1a1i n PRO 162 Cb 0.39 -1.64 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1a1i n PRO 162 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1i s PHE 163 N -3.10 3.45 -0.13 6.00 0.08 -0.86 -4.96 117.98 118.44 1a1i s PHE 163 Ca 0.07 -2.08 -0.10 0.00 0.12 0.00 0.00 56.93 54.95 1a1i s PHE 163 Cb 0.11 -2.83 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 1a1i s PHE 163 CO 0.37 -0.89 0.19 0.00 -0.10 0.00 0.00 175.22 174.78 1a1i s ALA 164 N 1.23 3.76 0.20 5.36 0.00 -1.26 -0.73 121.76 130.32 1a1i s ALA 164 Ca 0.03 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1a1i s ALA 164 Cb -0.22 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 1a1i s ALA 164 CO -0.02 0.39 1.59 0.00 0.00 0.00 0.00 175.76 177.72 1a1i h ASP 166 N 6.28 0.00 0.00 0.00 3.32 -1.95 -0.36 116.42 123.71 1a1i h ASP 166 Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1a1i h ASP 166 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1a1i h ASP 166 CO 0.89 0.15 -0.69 0.40 -1.72 0.00 0.00 179.24 178.27 1a1i h ILE 167 N 0.00 1.13 -0.00 0.35 1.08 -1.96 -3.42 117.51 114.67 1a1i h ILE 167 Ca -0.00 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1a1i h ILE 167 Cb 0.36 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1a1i h ILE 167 CO 0.02 0.38 -0.22 0.00 -0.69 0.00 0.00 178.15 177.64 1a1i n GLY 169 N 0.93 1.53 3.72 0.00 0.00 -0.14 -4.96 105.19 106.27 1a1i n GLY 169 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a1i n GLY 169 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a1i n ARG 170 N -2.00 2.69 -3.82 1.61 0.63 -1.26 -4.27 116.66 110.24 1a1i n ARG 170 Ca 0.00 0.97 -0.33 0.00 -0.92 0.00 0.00 57.85 57.57 1a1i n ARG 170 Cb 0.00 -2.78 -0.05 0.00 0.45 0.00 0.00 32.46 30.08 1a1i n ARG 170 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1a1i s LYS 171 N 0.48 3.51 0.07 -0.14 1.02 -1.26 -0.45 119.74 122.97 1a1i s LYS 171 Ca 0.71 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.48 1a1i s LYS 171 Cb -0.52 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1a1i s LYS 171 CO 0.39 0.61 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.29 1a1i s PHE 172 N -1.43 0.80 0.25 3.18 0.40 0.09 -4.97 117.98 116.30 1a1i s PHE 172 Ca 0.32 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1a1i s PHE 172 Cb -0.13 -0.47 0.29 0.00 0.51 0.00 0.00 43.02 43.22 1a1i s PHE 172 CO 0.22 -0.10 1.58 0.00 0.70 0.00 0.00 175.22 177.61 1a1i h ALA 173 N 3.84 0.90 -3.84 5.36 0.00 -1.87 -2.25 119.26 121.39 1a1i h ALA 173 Ca -0.36 -0.57 -0.63 0.00 0.00 0.00 0.00 54.91 53.35 1a1i h ALA 173 Cb 1.19 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 1a1i h ALA 173 CO 0.51 0.76 -0.85 1.03 0.00 0.00 0.00 179.25 180.70 1a1i s ARG 174 N -3.65 1.31 0.29 0.00 0.52 -1.26 -4.56 118.95 111.60 1a1i s ARG 174 Ca -0.02 -1.25 -0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1a1i s ARG 174 Cb 0.12 -1.69 0.44 0.00 0.52 0.00 0.00 34.95 34.35 1a1i s ARG 174 CO 0.78 0.40 1.85 0.66 0.02 0.00 0.00 175.30 179.01 1a1i h SER 175 N 4.05 0.73 0.60 0.23 4.64 -1.95 -2.31 113.55 119.53 1a1i h SER 175 Ca -0.49 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 60.64 1a1i h SER 175 Cb 1.17 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1a1i h SER 175 CO 0.40 0.71 -0.35 -2.24 -0.87 0.00 0.00 176.83 174.49 1a1i h ASP 176 N 0.77 0.00 -0.11 4.97 2.03 -1.98 -0.62 116.42 121.48 1a1i h ASP 176 Ca 0.17 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.44 1a1i h ASP 176 Cb 0.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1a1i h ASP 176 CO -0.00 0.35 -0.05 -0.33 -1.03 0.00 0.00 179.24 178.17 1a1i h GLU 177 N 0.00 0.23 -0.76 4.15 5.08 -1.85 -1.41 114.58 120.03 1a1i h GLU 177 Ca -0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1a1i h GLU 177 Cb 0.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1a1i h GLU 177 CO 0.04 0.57 0.49 -0.09 -1.00 0.00 0.00 179.01 179.03 1a1i h ARG 178 N -0.13 0.96 -0.77 2.33 2.43 -1.24 -1.60 114.38 116.37 1a1i h ARG 178 Ca 0.02 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1a1i h ARG 178 Cb 0.50 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1a1i h ARG 178 CO 0.02 0.64 0.49 -0.22 -1.51 0.00 0.00 179.97 179.38 1a1i h LYS 179 N 0.99 0.91 0.00 0.20 3.64 -0.97 0.17 116.57 121.51 1a1i h LYS 179 Ca 0.29 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1a1i h LYS 179 Cb -0.07 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1a1i h LYS 179 CO -0.08 0.60 -0.38 -0.09 -2.27 0.00 0.00 179.45 177.24 1a1i h ARG 180 N 0.94 0.00 0.01 1.90 2.43 -0.83 -3.27 114.38 115.56 1a1i h ARG 180 Ca 0.31 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1a1i h ARG 180 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1a1i h ARG 180 CO -0.12 0.38 -0.18 1.25 -1.51 0.00 0.00 179.97 179.79 1a1i h HIS 181 N 0.00 0.16 -0.99 2.20 2.76 -0.26 -3.37 115.15 115.66 1a1i h HIS 181 Ca -0.00 -0.09 0.26 0.00 -2.20 0.00 0.00 60.37 58.33 1a1i h HIS 181 Cb 0.69 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 29.51 1a1i h HIS 181 CO 0.00 0.94 0.56 1.15 -1.30 0.00 0.00 177.93 179.28 1a1i h THR 182 N -0.66 0.47 0.00 6.26 2.02 -1.06 -0.39 112.91 119.54 1a1i h THR 182 Ca -0.03 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1a1i h THR 182 Cb 1.00 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1a1i h THR 182 CO 0.03 0.09 0.00 0.07 0.37 0.00 0.00 175.52 176.08 1a1i h LYS 183 N 0.49 0.00 0.00 6.66 2.10 -1.72 -1.96 116.57 122.14 1a1i h LYS 183 Ca 0.65 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 1a1i h LYS 183 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1a1i h LYS 183 CO -0.52 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.37 1a1i n ILE 184 N -2.30 0.80 1.56 0.07 -5.35 -0.15 -2.08 119.36 111.90 1a1i n ILE 184 Ca -0.01 0.16 0.15 0.00 -0.27 0.00 0.00 62.75 62.78 1a1i n ILE 184 Cb 0.09 -1.08 0.70 0.00 -1.74 0.00 0.00 39.64 37.61 1a1i n ILE 184 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1a1i n HIS 185 N -2.22 0.00 -1.27 4.28 8.25 -0.73 -4.84 115.22 118.69 1a1i n HIS 185 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1a1i n HIS 185 Cb 0.25 -0.13 0.15 0.00 1.12 0.00 0.00 29.99 31.38 1a1i n HIS 185 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a1i s LEU 186 N -2.32 1.91 0.00 2.41 1.43 -0.89 -5.20 118.68 116.02 1a1i s LEU 186 Ca 0.34 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1a1i s LEU 186 Cb 0.21 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1a1i s LEU 186 CO 0.43 -2.82 0.39 -2.11 0.23 0.00 0.00 176.35 172.47