#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1k h PRO 104 N 0.00 0.00 -5.28 5.56 0.13 -1.86 -3.41 132.00 127.15 1a1k h PRO 104 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1a1k h PRO 104 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1a1k h PRO 104 CO 0.00 0.04 0.70 0.71 -0.23 0.00 0.00 178.00 179.22 1a1k s TYR 105 N -4.01 2.86 0.21 1.56 2.02 -0.88 -4.97 117.35 114.14 1a1k s TYR 105 Ca -0.02 -0.93 -0.09 0.00 -0.37 0.00 0.00 57.07 55.65 1a1k s TYR 105 Cb 0.12 -4.30 -0.07 0.00 -0.40 0.00 0.00 41.96 37.31 1a1k s TYR 105 CO 0.51 -1.59 0.52 0.00 -1.57 0.00 0.00 175.55 173.43 1a1k s ALA 106 N 3.49 3.60 -0.08 3.71 0.00 -1.26 0.37 121.76 131.59 1a1k s ALA 106 Ca 0.27 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1a1k s ALA 106 Cb -0.11 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1a1k s ALA 106 CO 0.01 0.53 1.24 0.00 0.00 0.00 0.00 175.76 177.54 1a1k h PRO 108 N 7.71 0.00 -6.29 0.00 0.11 -1.92 -3.44 132.00 128.17 1a1k h PRO 108 Ca -0.33 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.11 1a1k h PRO 108 Cb 1.15 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.31 1a1k h PRO 108 CO 0.91 0.23 0.53 0.28 -0.21 0.00 0.00 178.00 179.74 1a1k n VAL 109 N -4.22 0.03 0.25 3.15 0.31 -1.26 -4.87 118.33 111.72 1a1k n VAL 109 Ca -0.02 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1a1k n VAL 109 Cb 0.29 -0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 1a1k n VAL 109 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1a1k h GLU 110 N 4.97 -0.59 0.00 5.55 4.11 -2.04 -2.94 114.58 123.64 1a1k h GLU 110 Ca -0.47 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1a1k h GLU 110 Cb 1.32 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1a1k h GLU 110 CO 0.81 -0.31 0.25 0.66 0.07 0.00 0.00 179.01 180.49 1a1k h SER 111 N -0.80 0.00 -3.26 3.06 4.64 -1.96 -3.40 113.55 111.83 1a1k h SER 111 Ca -0.06 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.63 1a1k h SER 111 Cb 0.55 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.48 1a1k h SER 111 CO 0.10 0.00 -0.57 0.00 -0.87 0.00 0.00 176.83 175.49 1a1k n ASP 113 N 3.38 2.22 -4.76 0.00 8.00 -1.26 -4.60 116.55 119.53 1a1k n ASP 113 Ca -0.17 -1.71 -0.41 0.00 0.71 0.00 0.00 54.79 53.21 1a1k n ASP 113 Cb 0.52 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1a1k n ASP 113 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a1k s ARG 114 N -0.85 4.13 0.16 -1.24 0.52 -1.26 -4.78 118.95 115.63 1a1k s ARG 114 Ca 0.13 2.55 0.08 0.00 -0.52 0.00 0.00 55.73 57.98 1a1k s ARG 114 Cb 0.08 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 1a1k s ARG 114 CO 0.11 -0.57 -0.09 1.03 0.02 0.00 0.00 175.30 175.80 1a1k s ARG 115 N -1.22 2.09 -0.00 3.54 0.52 -1.26 -1.78 118.95 120.83 1a1k s ARG 115 Ca 0.58 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1a1k s ARG 115 Cb -0.47 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1a1k s ARG 115 CO 0.54 0.46 -0.06 -0.06 0.02 0.00 0.00 175.30 176.20 1a1k s PHE 116 N -1.57 0.52 -0.23 -0.53 0.40 0.16 -4.99 117.98 111.75 1a1k s PHE 116 Ca 0.24 -0.12 0.19 0.00 -0.60 0.00 0.00 56.93 56.64 1a1k s PHE 116 Cb -0.09 -0.34 0.28 0.00 0.51 0.00 0.00 43.02 43.38 1a1k s PHE 116 CO 0.15 -0.01 1.56 0.77 0.70 0.00 0.00 175.22 178.38 1a1k h SER 117 N 5.92 0.00 -3.26 1.36 0.02 -1.86 -2.34 113.55 113.40 1a1k h SER 117 Ca -0.29 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.99 1a1k h SER 117 Cb 1.19 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.41 1a1k h SER 117 CO 0.50 0.27 -0.83 -0.13 -1.14 0.00 0.00 176.83 175.50 1a1k s ARG 118 N -3.14 3.14 0.36 3.45 0.52 -1.26 -3.97 118.95 118.05 1a1k s ARG 118 Ca 0.05 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.55 1a1k s ARG 118 Cb 0.07 -2.52 0.82 0.00 0.52 0.00 0.00 34.95 33.84 1a1k s ARG 118 CO 0.70 0.04 1.89 0.66 0.02 0.00 0.00 175.30 178.61 1a1k h SER 119 N 7.20 0.64 0.56 0.23 4.64 -1.96 0.11 113.55 124.97 1a1k h SER 119 Ca -0.30 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 1a1k h SER 119 Cb 1.20 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1a1k h SER 119 CO 0.55 0.34 -0.54 0.00 -0.87 0.00 0.00 176.83 176.31 1a1k h ALA 120 N 1.60 1.09 0.00 5.18 0.00 -1.98 -2.29 119.26 122.85 1a1k h ALA 120 Ca 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a1k h ALA 120 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a1k h ALA 120 CO -0.18 0.68 0.00 -0.44 0.00 0.00 0.00 179.25 179.31 1a1k h ASP 121 N 0.00 0.00 0.20 0.00 5.19 -1.39 -2.29 116.42 118.13 1a1k h ASP 121 Ca -0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 1a1k h ASP 121 Cb 0.97 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.50 1a1k h ASP 121 CO 0.07 0.00 -1.42 0.25 -3.12 0.00 0.00 179.24 175.02 1a1k h LEU 122 N 0.00 0.68 -0.75 1.55 5.85 -1.22 -2.75 115.31 118.66 1a1k h LEU 122 Ca 0.00 -0.92 0.07 0.00 0.84 0.00 0.00 57.88 57.86 1a1k h LEU 122 Cb 0.43 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1a1k h LEU 122 CO 0.00 1.67 0.43 0.74 -0.34 0.00 0.00 178.44 180.94 1a1k h THR 123 N -0.01 0.97 -0.22 1.05 2.02 -1.09 0.38 112.91 116.02 1a1k h THR 123 Ca -0.26 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1a1k h THR 123 Cb 2.02 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1a1k h THR 123 CO 0.21 0.14 -0.05 -0.09 0.37 0.00 0.00 175.52 176.10 1a1k h ARG 124 N 0.78 0.42 -0.62 6.66 2.43 -1.57 -3.10 114.38 119.37 1a1k h ARG 124 Ca 0.34 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1a1k h ARG 124 Cb 0.23 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1a1k h ARG 124 CO -0.20 0.66 0.41 1.25 -1.51 0.00 0.00 179.97 180.58 1a1k h HIS 125 N 0.15 0.62 -0.07 2.20 2.76 -0.96 -2.02 115.15 117.83 1a1k h HIS 125 Ca 0.06 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1a1k h HIS 125 Cb 0.50 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1a1k h HIS 125 CO 0.05 0.34 0.05 0.97 -1.30 0.00 0.00 177.93 178.04 1a1k h ILE 126 N 0.62 0.94 0.00 6.26 6.09 -0.20 -1.17 117.51 130.04 1a1k h ILE 126 Ca 0.27 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.75 1a1k h ILE 126 Cb 0.26 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 1a1k h ILE 126 CO -0.08 0.00 -0.03 0.03 -3.07 0.00 0.00 178.15 175.00 1a1k h ARG 127 N 0.00 0.00 -0.25 2.19 3.08 -1.45 -0.86 114.38 117.09 1a1k h ARG 127 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1a1k h ARG 127 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1a1k h ARG 127 CO -0.00 0.03 -0.39 -0.84 -1.07 0.00 0.00 179.97 177.70 1a1k h ILE 128 N 0.00 1.30 0.06 2.04 3.07 -1.36 -0.59 117.51 122.02 1a1k h ILE 128 Ca -0.00 -1.54 -0.25 0.00 1.55 0.00 0.00 64.86 64.61 1a1k h ILE 128 Cb 0.20 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 38.26 1a1k h ILE 128 CO 0.00 0.49 -1.24 0.45 -1.05 0.00 0.00 178.15 176.80 1a1k h HIS 129 N 0.47 0.23 0.00 0.16 3.86 -1.33 -3.30 115.15 115.24 1a1k h HIS 129 Ca 0.04 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1a1k h HIS 129 Cb 0.89 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.35 1a1k h HIS 129 CO 0.04 1.16 -0.43 1.79 0.86 0.00 0.00 177.93 181.34 1a1k h THR 130 N 0.03 0.00 -0.43 2.45 1.35 -1.20 -3.48 112.91 111.63 1a1k h THR 130 Ca -0.12 -0.55 -0.19 0.00 -0.55 0.00 0.00 66.41 65.01 1a1k h THR 130 Cb 1.90 1.27 -0.07 0.00 -1.73 0.00 0.00 68.15 69.52 1a1k h THR 130 CO 0.15 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 175.86 1a1k n GLY 131 N 1.30 1.02 3.70 5.82 0.00 -0.23 -4.96 105.19 111.84 1a1k n GLY 131 Ca 0.04 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1a1k n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a1k s GLN 132 N -2.54 4.32 -0.52 1.61 0.74 -1.21 -4.97 119.66 117.09 1a1k s GLN 132 Ca 0.00 1.98 0.05 0.00 0.05 0.00 0.00 55.36 57.44 1a1k s GLN 132 Cb 0.00 -3.42 0.20 0.00 1.10 0.00 0.00 33.01 30.89 1a1k s GLN 132 CO 0.00 -0.48 0.48 1.63 -0.55 0.00 0.00 175.29 176.38 1a1k n LYS 133 N 4.64 1.08 0.00 1.67 5.02 -1.26 -4.46 118.16 124.84 1a1k n LYS 133 Ca 0.12 -3.75 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 1a1k n LYS 133 Cb 0.44 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1a1k n LYS 133 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1a1k n PRO 134 N 1.99 0.90 -3.96 1.97 -0.04 -1.14 -4.14 135.00 130.58 1a1k n PRO 134 Ca 0.25 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1a1k n PRO 134 Cb 0.45 -1.06 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 1a1k n PRO 134 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a1k s PHE 135 N -1.86 2.15 -0.09 0.54 0.08 -0.89 -4.99 117.98 112.92 1a1k s PHE 135 Ca 0.00 -1.39 -0.01 0.00 0.12 0.00 0.00 56.93 55.66 1a1k s PHE 135 Cb 0.00 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1a1k s PHE 135 CO 0.00 -0.69 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.24 1a1k s GLN 136 N 1.49 3.03 -0.30 0.44 0.74 -1.26 0.13 119.66 123.92 1a1k s GLN 136 Ca -0.00 -0.51 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 1a1k s GLN 136 Cb -0.16 -2.71 0.01 0.00 1.10 0.00 0.00 33.01 31.26 1a1k s GLN 136 CO -0.08 0.57 1.09 0.00 -0.55 0.00 0.00 175.29 176.31 1a1k h ARG 138 N 8.08 0.00 0.01 0.00 0.11 -1.94 0.59 114.38 121.23 1a1k h ARG 138 Ca -0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.87 1a1k h ARG 138 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1a1k h ARG 138 CO 1.03 0.00 -0.00 0.82 0.10 0.00 0.00 179.97 181.91 1a1k h ILE 139 N 0.00 1.30 -0.05 0.08 1.08 -1.98 -3.39 117.51 114.55 1a1k h ILE 139 Ca 0.00 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 1a1k h ILE 139 Cb 0.30 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1a1k h ILE 139 CO 0.00 0.43 0.00 0.00 -0.69 0.00 0.00 178.15 177.89 1a1k n MET 141 N 0.35 -0.62 -2.02 0.00 0.00 0.21 -4.98 117.12 110.05 1a1k n MET 141 Ca 0.05 0.16 -0.38 0.00 0.00 0.00 0.00 57.70 57.52 1a1k n MET 141 Cb 0.22 -3.95 0.01 0.00 0.00 0.00 0.00 33.22 29.50 1a1k n MET 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1a1k s ARG 142 N -0.90 3.57 -0.02 0.03 3.52 -1.25 -4.59 118.95 119.30 1a1k s ARG 142 Ca 0.00 2.06 -0.03 0.00 -0.13 0.00 0.00 55.73 57.63 1a1k s ARG 142 Cb 0.00 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1a1k s ARG 142 CO 0.00 -0.79 0.14 -0.80 -0.81 0.00 0.00 175.30 173.05 1a1k s ASN 143 N -1.03 6.16 0.07 -2.12 0.01 -1.26 -1.37 114.94 115.38 1a1k s ASN 143 Ca 0.65 0.30 0.05 0.00 -0.71 0.00 0.00 52.86 53.15 1a1k s ASN 143 Cb -0.36 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1a1k s ASN 143 CO 0.44 0.29 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.82 1a1k s PHE 144 N -1.24 1.19 -0.50 2.20 0.08 0.12 -4.98 117.98 114.85 1a1k s PHE 144 Ca 0.24 -0.45 0.25 0.00 0.12 0.00 0.00 56.93 57.09 1a1k s PHE 144 Cb -0.12 -0.67 0.59 0.00 -0.57 0.00 0.00 43.02 42.24 1a1k s PHE 144 CO 0.15 0.05 1.69 0.66 -0.10 0.00 0.00 175.22 177.67 1a1k h SER 145 N 4.35 0.00 -3.92 1.36 4.64 -1.85 -2.34 113.55 115.80 1a1k h SER 145 Ca -0.40 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.58 1a1k h SER 145 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.99 1a1k h SER 145 CO 0.40 0.00 -0.76 -0.13 -0.87 0.00 0.00 176.83 175.47 1a1k s ARG 146 N -3.21 0.49 0.25 4.77 0.52 -1.26 -4.75 118.95 115.76 1a1k s ARG 146 Ca 0.08 -0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1a1k s ARG 146 Cb 0.08 -0.48 0.31 0.00 0.52 0.00 0.00 34.95 35.38 1a1k s ARG 146 CO 0.63 0.12 1.78 0.66 0.02 0.00 0.00 175.30 178.51 1a1k h SER 147 N 6.03 0.85 -0.12 0.23 4.64 -1.96 -1.99 113.55 121.23 1a1k h SER 147 Ca -0.29 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 1a1k h SER 147 Cb 1.19 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1a1k h SER 147 CO 0.50 0.85 -0.24 -2.24 -0.87 0.00 0.00 176.83 174.82 1a1k h ASP 148 N 0.86 0.57 0.77 4.97 2.03 -2.00 -1.21 116.42 122.41 1a1k h ASP 148 Ca 0.18 -0.20 -0.08 0.00 -0.73 0.00 0.00 57.03 56.20 1a1k h ASP 148 Cb 0.35 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 1a1k h ASP 148 CO 0.00 0.80 -0.40 0.45 -1.03 0.00 0.00 179.24 179.07 1a1k h HIS 149 N 0.50 0.00 -0.11 4.15 3.86 -1.89 -2.68 115.15 118.97 1a1k h HIS 149 Ca 0.07 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.04 1a1k h HIS 149 Cb 0.69 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.17 1a1k h HIS 149 CO 0.03 0.40 -0.86 1.25 0.86 0.00 0.00 177.93 179.60 1a1k h LEU 150 N 0.00 0.95 -0.10 2.43 5.85 -0.87 -2.24 115.31 121.33 1a1k h LEU 150 Ca -0.00 -0.66 0.03 0.00 0.84 0.00 0.00 57.88 58.08 1a1k h LEU 150 Cb 0.89 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1a1k h LEU 150 CO 0.05 1.46 -0.08 0.74 -0.34 0.00 0.00 178.44 180.28 1a1k h THR 151 N 0.50 0.77 0.00 1.05 2.02 -0.93 -0.95 112.91 115.37 1a1k h THR 151 Ca -0.08 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1a1k h THR 151 Cb 1.50 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1a1k h THR 151 CO 0.17 0.00 -0.32 0.71 0.37 0.00 0.00 175.52 176.45 1a1k h THR 152 N -0.09 1.01 -0.36 3.16 1.35 -1.53 -2.81 112.91 113.63 1a1k h THR 152 Ca 0.07 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.64 1a1k h THR 152 Cb 0.19 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1a1k h THR 152 CO -0.15 0.32 -0.08 -0.74 -0.25 0.00 0.00 175.52 174.61 1a1k h HIS 153 N 0.00 0.78 -0.24 4.73 6.17 -0.77 -2.96 115.15 122.85 1a1k h HIS 153 Ca -0.00 -0.16 0.07 0.00 0.71 0.00 0.00 60.37 60.98 1a1k h HIS 153 Cb 0.67 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 1a1k h HIS 153 CO 0.00 0.84 0.21 0.82 0.71 0.00 0.00 177.93 180.51 1a1k h ILE 154 N 0.49 0.67 0.00 6.26 2.04 -0.92 -0.02 117.51 126.03 1a1k h ILE 154 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1a1k h ILE 154 Cb 0.59 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1a1k h ILE 154 CO 0.03 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.21 1a1k h ARG 155 N 0.00 0.00 0.00 2.37 3.08 -1.52 -0.85 114.38 117.46 1a1k h ARG 155 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1a1k h ARG 155 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1a1k h ARG 155 CO -0.00 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.69 1a1k h THR 156 N 0.00 0.00 0.01 2.04 1.35 -1.10 -1.26 112.91 113.95 1a1k h THR 156 Ca 0.00 -0.46 -0.39 0.00 -0.55 0.00 0.00 66.41 65.01 1a1k h THR 156 Cb 0.35 1.38 -0.06 0.00 -1.73 0.00 0.00 68.15 68.09 1a1k h THR 156 CO 0.00 0.00 -2.20 1.41 -0.25 0.00 0.00 175.52 174.48 1a1k n HIS 157 N -2.39 0.36 0.14 4.73 8.25 -0.37 -4.56 115.22 121.37 1a1k n HIS 157 Ca 0.04 0.12 0.03 0.00 -0.26 0.00 0.00 57.72 57.65 1a1k n HIS 157 Cb 0.37 -1.04 0.03 0.00 1.12 0.00 0.00 29.99 30.47 1a1k n HIS 157 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a1k h THR 158 N -0.67 0.85 0.00 1.59 1.35 -1.50 -3.47 112.91 111.05 1a1k h THR 158 Ca -0.57 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1a1k h THR 158 Cb 1.66 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 1a1k h THR 158 CO -0.25 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1a1k n GLY 159 N 1.21 0.57 3.69 5.82 0.00 -0.48 -5.00 105.19 111.00 1a1k n GLY 159 Ca 0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1a1k n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1k s GLU 160 N -0.42 4.25 -0.46 1.61 2.12 -1.23 -4.96 118.70 119.61 1a1k s GLU 160 Ca 0.00 2.10 0.03 0.00 0.36 0.00 0.00 54.97 57.46 1a1k s GLU 160 Cb 0.00 -3.59 0.15 0.00 0.26 0.00 0.00 34.13 30.95 1a1k s GLU 160 CO 0.00 -0.64 0.30 0.15 -0.54 0.00 0.00 175.26 174.53 1a1k s LYS 161 N 2.54 1.24 0.00 4.30 1.02 -1.26 -4.35 119.74 123.23 1a1k s LYS 161 Ca 0.68 -2.13 0.26 0.00 0.02 0.00 0.00 55.97 54.80 1a1k s LYS 161 Cb -0.34 -2.07 1.45 0.00 -0.52 0.00 0.00 37.83 36.35 1a1k s LYS 161 CO 0.29 -1.25 1.91 -0.35 -0.92 0.00 0.00 175.35 175.02 1a1k n PRO 162 N 3.18 0.62 -3.81 -1.68 -0.04 -1.12 -4.23 135.00 127.92 1a1k n PRO 162 Ca 0.17 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.29 1a1k n PRO 162 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1a1k n PRO 162 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a1k s PHE 163 N -2.27 3.30 -0.15 0.54 0.08 -0.70 -4.95 117.98 113.83 1a1k s PHE 163 Ca 0.33 -1.71 -0.10 0.00 0.12 0.00 0.00 56.93 55.57 1a1k s PHE 163 Cb 0.18 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1a1k s PHE 163 CO 0.35 -0.79 0.18 0.00 -0.10 0.00 0.00 175.22 174.86 1a1k s ALA 164 N 1.32 3.75 0.18 5.36 0.00 -1.26 -0.11 121.76 131.00 1a1k s ALA 164 Ca -0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1a1k s ALA 164 Cb -0.20 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1a1k s ALA 164 CO 0.01 0.36 1.44 0.00 0.00 0.00 0.00 175.76 177.56 1a1k h ASP 166 N 6.11 0.07 0.04 0.00 3.32 -1.95 0.24 116.42 124.25 1a1k h ASP 166 Ca -0.44 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1a1k h ASP 166 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1a1k h ASP 166 CO 0.84 0.25 -0.41 0.40 -1.72 0.00 0.00 179.24 178.60 1a1k h ILE 167 N 0.07 1.59 -0.00 0.35 1.08 -1.95 -3.41 117.51 115.24 1a1k h ILE 167 Ca 0.01 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 1a1k h ILE 167 Cb 0.35 3.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1a1k h ILE 167 CO 0.02 0.61 -0.30 0.00 -0.69 0.00 0.00 178.15 177.79 1a1k n GLY 169 N 1.07 1.22 3.73 0.00 0.00 0.83 -4.96 105.19 107.08 1a1k n GLY 169 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a1k n GLY 169 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a1k n ARG 170 N -2.00 2.58 -3.61 1.61 0.63 -1.26 -4.26 116.66 110.35 1a1k n ARG 170 Ca 0.00 0.92 -0.30 0.00 -0.92 0.00 0.00 57.85 57.54 1a1k n ARG 170 Cb 0.00 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.19 1a1k n ARG 170 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1a1k s LYS 171 N -0.45 3.62 0.01 -0.14 1.02 -1.26 -0.32 119.74 122.23 1a1k s LYS 171 Ca 0.65 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 56.54 1a1k s LYS 171 Cb -0.53 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1a1k s LYS 171 CO 0.48 0.41 0.00 -0.06 -0.92 0.00 0.00 175.35 175.26 1a1k s PHE 172 N -1.77 0.17 0.30 3.18 0.08 0.84 -4.97 117.98 115.82 1a1k s PHE 172 Ca 0.42 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 57.21 1a1k s PHE 172 Cb -0.12 -0.13 0.47 0.00 -0.57 0.00 0.00 43.02 42.67 1a1k s PHE 172 CO 0.26 -0.16 1.68 0.00 -0.10 0.00 0.00 175.22 176.90 1a1k h ALA 173 N 4.91 1.11 -3.90 5.36 0.00 -1.86 -1.81 119.26 123.07 1a1k h ALA 173 Ca -0.30 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 53.55 1a1k h ALA 173 Cb 1.21 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.68 1a1k h ALA 173 CO 0.43 0.65 -0.84 1.03 0.00 0.00 0.00 179.25 180.51 1a1k s ARG 174 N -3.89 1.30 0.33 0.00 0.52 -1.26 -4.59 118.95 111.36 1a1k s ARG 174 Ca -0.03 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 1a1k s ARG 174 Cb 0.13 -1.51 0.57 0.00 0.52 0.00 0.00 34.95 34.66 1a1k s ARG 174 CO 0.76 0.37 1.87 0.66 0.02 0.00 0.00 175.30 178.98 1a1k h SER 175 N 4.44 0.53 0.53 0.23 4.64 -1.95 -2.32 113.55 119.65 1a1k h SER 175 Ca -0.45 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 60.69 1a1k h SER 175 Cb 1.17 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1a1k h SER 175 CO 0.42 0.59 -0.38 -2.24 -0.87 0.00 0.00 176.83 174.35 1a1k h ASP 176 N 0.55 0.00 -0.02 4.97 2.03 -1.98 0.11 116.42 122.07 1a1k h ASP 176 Ca 0.12 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.21 1a1k h ASP 176 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1a1k h ASP 176 CO 0.01 0.38 -0.75 -0.33 -1.03 0.00 0.00 179.24 177.52 1a1k h GLU 177 N 0.00 0.67 -0.36 4.15 5.08 -1.86 -0.23 114.58 122.04 1a1k h GLU 177 Ca -0.00 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 1a1k h GLU 177 Cb 0.74 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1a1k h GLU 177 CO 0.05 1.16 0.09 -0.09 -1.00 0.00 0.00 179.01 179.22 1a1k h ARG 178 N 0.46 0.58 -0.48 2.33 2.43 -0.90 -0.46 114.38 118.34 1a1k h ARG 178 Ca -0.04 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1a1k h ARG 178 Cb 1.35 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 1a1k h ARG 178 CO 0.15 0.61 0.23 -0.22 -1.51 0.00 0.00 179.97 179.23 1a1k h LYS 179 N 0.43 0.44 -0.60 0.20 3.64 -0.63 0.95 116.57 121.00 1a1k h LYS 179 Ca 0.11 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1a1k h LYS 179 Cb 0.29 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1a1k h LYS 179 CO 0.00 0.29 0.28 -0.09 -2.27 0.00 0.00 179.45 177.66 1a1k h ARG 180 N 0.46 0.85 0.47 1.90 2.43 -0.78 -3.23 114.38 116.48 1a1k h ARG 180 Ca 0.21 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1a1k h ARG 180 Cb 0.14 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1a1k h ARG 180 CO -0.16 0.67 -0.23 1.25 -1.51 0.00 0.00 179.97 179.99 1a1k h HIS 181 N 0.85 -0.59 -0.79 2.20 2.76 0.10 -3.33 115.15 116.36 1a1k h HIS 181 Ca 0.21 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.69 1a1k h HIS 181 Cb 0.10 0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.12 1a1k h HIS 181 CO 0.01 -0.32 0.41 2.41 -1.30 0.00 0.00 177.93 179.14 1a1k n THR 182 N -5.20 -0.33 0.34 6.26 -1.04 0.21 0.11 114.28 114.64 1a1k n THR 182 Ca -0.09 1.60 0.05 0.00 -2.04 0.00 0.00 64.05 63.57 1a1k n THR 182 Cb 0.27 -2.60 0.21 0.00 -1.82 0.00 0.00 70.33 66.40 1a1k n THR 182 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1a1k n LYS 183 N -4.79 0.01 0.18 -2.82 2.85 -1.24 -2.07 118.16 110.27 1a1k n LYS 183 Ca 0.30 0.32 0.13 0.00 -1.05 0.00 0.00 58.31 58.01 1a1k n LYS 183 Cb 1.00 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 34.29 1a1k n LYS 183 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 1a1k h ILE 184 N 0.00 0.00 0.00 0.58 3.07 -0.54 -3.00 117.51 117.62 1a1k h ILE 184 Ca 0.00 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.82 1a1k h ILE 184 Cb 0.16 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1a1k h ILE 184 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 1a1k n HIS 185 N -2.67 0.00 -1.78 0.16 8.25 -0.88 -4.79 115.22 113.51 1a1k n HIS 185 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1a1k n HIS 185 Cb 0.40 -0.35 0.16 0.00 1.12 0.00 0.00 29.99 31.31 1a1k n HIS 185 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a1k s LEU 186 N -2.70 2.35 0.00 2.41 1.43 -1.14 -5.21 118.68 115.84 1a1k s LEU 186 Ca 0.23 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1a1k s LEU 186 Cb 0.19 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1a1k s LEU 186 CO 0.45 -2.61 0.00 -1.14 0.23 0.00 0.00 176.35 173.28