#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1j n PRO 104 N 0.00 1.33 -3.84 5.56 -0.02 -1.22 -4.75 135.00 132.07 1a1j n PRO 104 Ca 0.00 -0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 60.36 1a1j n PRO 104 Cb 0.00 -1.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 1a1j n PRO 104 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1a1j s TYR 105 N -2.20 3.62 0.15 6.00 2.02 -0.95 -5.01 117.35 120.98 1a1j s TYR 105 Ca 0.33 -2.60 0.02 0.00 -0.37 0.00 0.00 57.07 54.45 1a1j s TYR 105 Cb 0.20 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1a1j s TYR 105 CO 0.41 -0.96 0.30 0.00 -1.57 0.00 0.00 175.55 173.73 1a1j s ALA 106 N 0.99 3.96 -0.05 3.71 0.00 -1.26 0.25 121.76 129.35 1a1j s ALA 106 Ca 0.10 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1a1j s ALA 106 Cb -0.22 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1a1j s ALA 106 CO -0.05 0.53 1.26 0.00 0.00 0.00 0.00 175.76 177.50 1a1j n PRO 108 N 5.43 0.08 -1.93 0.00 -0.04 -1.26 -4.83 135.00 132.45 1a1j n PRO 108 Ca 0.12 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 1a1j n PRO 108 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1a1j n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a1j s VAL 109 N -2.90 2.45 0.15 0.52 1.01 -1.26 -4.92 120.40 115.44 1a1j s VAL 109 Ca 0.14 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 1a1j s VAL 109 Cb 0.15 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1a1j s VAL 109 CO 0.41 0.06 1.63 -0.33 0.00 0.00 0.00 175.10 176.87 1a1j h GLU 110 N 4.93 -0.26 0.00 2.72 5.08 -2.05 -2.72 114.58 122.28 1a1j h GLU 110 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1a1j h GLU 110 Cb 1.22 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1a1j h GLU 110 CO 0.78 -0.17 0.00 0.66 -1.00 0.00 0.00 179.01 179.28 1a1j h SER 111 N -0.27 0.00 -3.11 1.42 4.64 -1.97 -3.45 113.55 110.82 1a1j h SER 111 Ca 0.13 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.84 1a1j h SER 111 Cb 0.47 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.47 1a1j h SER 111 CO -0.38 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.20 1a1j n ASP 113 N 2.98 2.20 -4.62 0.00 8.00 -1.26 -4.68 116.55 119.17 1a1j n ASP 113 Ca -0.15 -1.62 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 1a1j n ASP 113 Cb 0.53 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.65 1a1j n ASP 113 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a1j n ARG 114 N 0.54 0.48 -3.97 -1.24 5.12 -1.26 -4.86 116.66 111.47 1a1j n ARG 114 Ca 0.08 0.22 -0.10 0.00 -1.93 0.00 0.00 57.85 56.12 1a1j n ARG 114 Cb 0.31 -2.24 -0.11 0.00 -1.16 0.00 0.00 32.46 29.26 1a1j n ARG 114 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1a1j s ARG 115 N -3.40 0.28 0.07 5.56 0.52 -1.26 -2.53 118.95 118.18 1a1j s ARG 115 Ca 0.73 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 55.46 1a1j s ARG 115 Cb -0.34 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 1a1j s ARG 115 CO 0.50 -0.04 -0.12 -0.06 0.02 0.00 0.00 175.30 175.60 1a1j s PHE 116 N -1.24 1.08 -0.08 -0.53 0.40 0.14 -4.98 117.98 112.77 1a1j s PHE 116 Ca -0.13 -0.49 -0.27 0.00 -0.60 0.00 0.00 56.93 55.44 1a1j s PHE 116 Cb -0.09 -0.61 -0.23 0.00 0.51 0.00 0.00 43.02 42.60 1a1j s PHE 116 CO -0.01 0.02 1.02 0.77 0.70 0.00 0.00 175.22 177.72 1a1j h SER 117 N 4.26 0.04 -3.34 1.36 0.02 -1.91 -2.52 113.55 111.46 1a1j h SER 117 Ca -0.39 -0.75 -0.65 0.00 -0.84 0.00 0.00 61.79 59.16 1a1j h SER 117 Cb 1.19 -0.01 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 1a1j h SER 117 CO 0.42 0.79 -0.64 -0.13 -1.14 0.00 0.00 176.83 176.12 1a1j s ARG 118 N -3.20 3.47 0.43 3.45 0.52 -1.26 -4.63 118.95 117.72 1a1j s ARG 118 Ca -0.17 -0.47 0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1a1j s ARG 118 Cb -0.00 -2.90 0.99 0.00 0.52 0.00 0.00 34.95 33.55 1a1j s ARG 118 CO 0.69 0.40 1.99 0.66 0.02 0.00 0.00 175.30 179.07 1a1j h SER 119 N 6.18 0.40 0.10 0.23 4.64 -1.95 -1.23 113.55 121.92 1a1j h SER 119 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1a1j h SER 119 Cb 1.19 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1a1j h SER 119 CO 0.61 0.25 -0.08 0.00 -0.87 0.00 0.00 176.83 176.74 1a1j h ALA 120 N 1.70 1.75 0.00 5.18 0.00 -1.99 -1.28 119.26 124.62 1a1j h ALA 120 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1a1j h ALA 120 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a1j h ALA 120 CO -0.07 0.10 -0.52 -0.44 0.00 0.00 0.00 179.25 178.32 1a1j h ASP 121 N 0.00 0.00 0.17 0.00 5.19 -1.64 -2.61 116.42 117.52 1a1j h ASP 121 Ca -0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1a1j h ASP 121 Cb 0.15 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.68 1a1j h ASP 121 CO 0.01 0.52 -1.02 0.25 -3.12 0.00 0.00 179.24 175.88 1a1j h LEU 122 N 0.00 0.74 -1.40 1.55 5.85 -1.27 -1.84 115.31 118.94 1a1j h LEU 122 Ca -0.01 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.14 1a1j h LEU 122 Cb 1.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1a1j h LEU 122 CO 0.07 1.41 0.42 0.74 -0.34 0.00 0.00 178.44 180.74 1a1j h THR 123 N 0.31 1.11 -0.03 1.05 2.02 -1.25 0.27 112.91 116.39 1a1j h THR 123 Ca -0.11 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1a1j h THR 123 Cb 1.67 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1a1j h THR 123 CO 0.19 0.15 -0.38 -0.09 0.37 0.00 0.00 175.52 175.76 1a1j h ARG 124 N 0.80 0.31 -0.65 6.66 2.43 -1.45 -3.31 114.38 119.17 1a1j h ARG 124 Ca 0.25 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1a1j h ARG 124 Cb 0.02 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1a1j h ARG 124 CO -0.06 0.97 0.37 1.25 -1.51 0.00 0.00 179.97 180.98 1a1j h HIS 125 N -0.24 0.68 0.00 2.20 2.76 -0.63 -2.47 115.15 117.45 1a1j h HIS 125 Ca -0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1a1j h HIS 125 Cb 1.07 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1a1j h HIS 125 CO 0.15 0.34 0.31 0.97 -1.30 0.00 0.00 177.93 178.39 1a1j h ILE 126 N 0.69 0.00 0.00 6.26 6.09 -0.57 0.30 117.51 130.28 1a1j h ILE 126 Ca 0.29 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.78 1a1j h ILE 126 Cb 0.15 0.63 0.00 0.00 0.47 0.00 0.00 36.82 38.07 1a1j h ILE 126 CO -0.17 0.00 0.00 0.03 -3.07 0.00 0.00 178.15 174.94 1a1j h ARG 127 N 0.00 0.00 -0.40 2.19 3.08 -1.58 -2.03 114.38 115.64 1a1j h ARG 127 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1a1j h ARG 127 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1a1j h ARG 127 CO 0.00 0.00 -0.15 0.82 -1.07 0.00 0.00 179.97 179.57 1a1j h ILE 128 N 0.00 1.26 0.08 2.04 2.04 -1.12 -1.04 117.51 120.77 1a1j h ILE 128 Ca 0.00 -1.21 -0.32 0.00 1.00 0.00 0.00 64.86 64.33 1a1j h ILE 128 Cb 0.42 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1a1j h ILE 128 CO 0.00 0.41 -1.71 0.45 0.00 0.00 0.00 178.15 177.29 1a1j h HIS 129 N 0.66 0.31 0.00 1.37 3.86 -1.56 -3.34 115.15 116.44 1a1j h HIS 129 Ca 0.11 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1a1j h HIS 129 Cb 0.63 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1a1j h HIS 129 CO 0.03 1.37 -0.29 1.79 0.86 0.00 0.00 177.93 181.69 1a1j h THR 130 N 0.05 0.16 -0.20 2.45 1.35 -1.48 -3.48 112.91 111.76 1a1j h THR 130 Ca -0.30 -1.24 -0.09 0.00 -0.55 0.00 0.00 66.41 64.23 1a1j h THR 130 Cb 2.01 2.00 -0.03 0.00 -1.73 0.00 0.00 68.15 70.40 1a1j h THR 130 CO 0.11 0.09 -0.08 0.61 -0.25 0.00 0.00 175.52 176.01 1a1j n GLY 131 N 1.14 0.71 3.70 5.82 0.00 -0.40 -5.01 105.19 111.16 1a1j n GLY 131 Ca 0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1a1j n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a1j s GLN 132 N -2.22 4.41 -0.50 1.61 0.74 -1.20 -5.00 119.66 117.50 1a1j s GLN 132 Ca 0.00 1.71 0.03 0.00 0.05 0.00 0.00 55.36 57.16 1a1j s GLN 132 Cb 0.00 -3.44 0.15 0.00 1.10 0.00 0.00 33.01 30.82 1a1j s GLN 132 CO 0.00 -0.33 0.33 0.15 -0.55 0.00 0.00 175.29 174.90 1a1j s LYS 133 N 1.55 1.50 0.22 1.67 1.02 -1.26 -4.62 119.74 119.82 1a1j s LYS 133 Ca 0.57 -2.39 0.19 0.00 0.02 0.00 0.00 55.97 54.37 1a1j s LYS 133 Cb -0.27 -2.39 0.89 0.00 -0.52 0.00 0.00 37.83 35.54 1a1j s LYS 133 CO 0.26 -1.25 1.59 -2.30 -0.92 0.00 0.00 175.35 172.73 1a1j n PRO 134 N 2.94 0.13 -4.48 -1.68 -0.02 -1.19 -4.25 135.00 126.46 1a1j n PRO 134 Ca 0.17 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1a1j n PRO 134 Cb 0.38 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 1a1j n PRO 134 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1j s PHE 135 N -3.32 2.87 0.03 6.00 0.08 -1.01 -4.99 117.98 117.64 1a1j s PHE 135 Ca 0.02 -0.75 0.07 0.00 0.12 0.00 0.00 56.93 56.39 1a1j s PHE 135 Cb 0.07 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1a1j s PHE 135 CO 0.27 -0.32 -0.17 -1.14 -0.10 0.00 0.00 175.22 173.77 1a1j s GLN 136 N 0.70 2.14 -0.31 0.44 0.74 -1.26 -0.12 119.66 121.99 1a1j s GLN 136 Ca -0.05 -0.94 -0.23 0.00 0.05 0.00 0.00 55.36 54.19 1a1j s GLN 136 Cb -0.15 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.74 1a1j s GLN 136 CO 0.02 0.55 0.78 0.00 -0.55 0.00 0.00 175.29 176.09 1a1j h ARG 138 N 8.13 0.00 0.10 0.00 2.43 -1.94 0.37 114.38 123.47 1a1j h ARG 138 Ca -0.24 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1a1j h ARG 138 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1a1j h ARG 138 CO 0.88 0.12 -0.05 0.82 -1.51 0.00 0.00 179.97 180.23 1a1j h ILE 139 N 0.00 0.58 -0.30 1.20 1.08 -1.98 -3.38 117.51 114.72 1a1j h ILE 139 Ca -0.00 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 1a1j h ILE 139 Cb 0.24 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1a1j h ILE 139 CO 0.02 0.18 0.00 0.00 -0.69 0.00 0.00 178.15 177.65 1a1j n MET 141 N 0.66 -0.95 -2.31 0.00 2.81 0.13 -4.97 117.12 112.49 1a1j n MET 141 Ca 0.12 0.24 -0.40 0.00 -1.81 0.00 0.00 57.70 55.84 1a1j n MET 141 Cb 0.41 -4.60 -0.03 0.00 -0.71 0.00 0.00 33.22 28.29 1a1j n MET 141 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1a1j s ARG 142 N -1.40 4.46 0.13 0.03 3.52 -1.25 -4.62 118.95 119.81 1a1j s ARG 142 Ca 0.00 1.97 -0.05 0.00 -0.13 0.00 0.00 55.73 57.52 1a1j s ARG 142 Cb 0.00 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 1a1j s ARG 142 CO 0.00 -0.01 0.36 -0.80 -0.81 0.00 0.00 175.30 174.05 1a1j s ASN 143 N -0.76 6.49 0.04 -2.12 -0.87 -1.26 -1.27 114.94 115.20 1a1j s ASN 143 Ca 0.48 0.59 0.03 0.00 -1.57 0.00 0.00 52.86 52.38 1a1j s ASN 143 Cb -0.35 -2.09 -0.02 0.00 -0.02 0.00 0.00 41.25 38.77 1a1j s ASN 143 CO 0.45 0.08 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.61 1a1j s PHE 144 N -1.62 0.77 0.07 2.20 0.08 0.82 -5.00 117.98 115.30 1a1j s PHE 144 Ca 0.40 -0.47 0.18 0.00 0.12 0.00 0.00 56.93 57.15 1a1j s PHE 144 Cb -0.12 -0.45 0.50 0.00 -0.57 0.00 0.00 43.02 42.37 1a1j s PHE 144 CO 0.24 -0.05 1.64 0.66 -0.10 0.00 0.00 175.22 177.61 1a1j h SER 145 N 4.54 0.00 -3.96 1.36 4.64 -1.85 -2.67 113.55 115.61 1a1j h SER 145 Ca -0.36 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.53 1a1j h SER 145 Cb 1.20 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.99 1a1j h SER 145 CO 0.41 0.42 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.87 1a1j s ARG 146 N -3.40 0.94 0.44 4.77 0.52 -1.26 -4.63 118.95 116.34 1a1j s ARG 146 Ca 0.01 -0.36 0.13 0.00 -0.52 0.00 0.00 55.73 55.00 1a1j s ARG 146 Cb 0.10 -0.89 0.99 0.00 0.52 0.00 0.00 34.95 35.66 1a1j s ARG 146 CO 0.70 0.18 2.01 0.66 0.02 0.00 0.00 175.30 178.87 1a1j h SER 147 N 6.12 0.09 -0.01 0.23 4.64 -1.96 -0.65 113.55 122.01 1a1j h SER 147 Ca -0.32 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.82 1a1j h SER 147 Cb 1.17 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1a1j h SER 147 CO 0.49 0.21 -0.56 -2.24 -0.87 0.00 0.00 176.83 173.86 1a1j h ASP 148 N 0.09 0.66 1.36 4.97 2.03 -1.99 -1.30 116.42 122.24 1a1j h ASP 148 Ca 0.02 -0.36 -0.05 0.00 -0.73 0.00 0.00 57.03 55.91 1a1j h ASP 148 Cb 0.25 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 1a1j h ASP 148 CO 0.02 1.08 -0.25 0.45 -1.03 0.00 0.00 179.24 179.51 1a1j h HIS 149 N 0.46 0.00 -0.16 4.15 3.86 -1.83 -2.61 115.15 119.01 1a1j h HIS 149 Ca 0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 1a1j h HIS 149 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1a1j h HIS 149 CO 0.05 0.25 -0.52 1.25 0.86 0.00 0.00 177.93 179.83 1a1j h LEU 150 N 0.00 0.74 -0.61 2.43 5.85 -0.90 -2.01 115.31 120.82 1a1j h LEU 150 Ca -0.00 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.17 1a1j h LEU 150 Cb 1.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1a1j h LEU 150 CO 0.03 1.21 0.34 0.74 -0.34 0.00 0.00 178.44 180.42 1a1j h THR 151 N 0.31 0.99 0.00 1.05 2.02 -0.96 -2.20 112.91 114.13 1a1j h THR 151 Ca -0.02 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 1a1j h THR 151 Cb 1.14 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1a1j h THR 151 CO 0.11 0.12 -0.63 0.71 0.37 0.00 0.00 175.52 176.20 1a1j h THR 152 N 0.65 1.21 -0.48 3.16 1.35 -1.49 -3.23 112.91 114.08 1a1j h THR 152 Ca 0.26 -2.37 -0.07 0.00 -0.55 0.00 0.00 66.41 63.68 1a1j h THR 152 Cb 0.13 2.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1a1j h THR 152 CO -0.15 0.62 0.02 -0.74 -0.25 0.00 0.00 175.52 175.01 1a1j h HIS 153 N 0.00 0.90 0.00 4.73 6.17 -0.89 -2.47 115.15 123.58 1a1j h HIS 153 Ca -0.01 -0.15 -0.00 0.00 0.71 0.00 0.00 60.37 60.92 1a1j h HIS 153 Cb 1.33 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 31.02 1a1j h HIS 153 CO 0.00 0.85 -0.00 0.82 0.71 0.00 0.00 177.93 180.31 1a1j h ILE 154 N 0.69 0.03 0.00 6.26 2.04 -1.43 -0.26 117.51 124.85 1a1j h ILE 154 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1a1j h ILE 154 Cb 0.48 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1a1j h ILE 154 CO 0.02 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.20 1a1j h ARG 155 N 0.00 0.00 0.00 2.37 3.08 -1.50 -2.04 114.38 116.29 1a1j h ARG 155 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a1j h ARG 155 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1a1j h ARG 155 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1a1j n THR 156 N -2.90 0.73 -0.11 2.04 -2.24 -0.11 -1.06 114.28 110.63 1a1j n THR 156 Ca 0.02 0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1a1j n THR 156 Cb 0.37 -0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 1a1j n THR 156 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1a1j n HIS 157 N -2.22 0.36 0.20 4.78 8.25 -0.82 -4.58 115.22 121.19 1a1j n HIS 157 Ca 0.03 0.12 0.10 0.00 -0.26 0.00 0.00 57.72 57.72 1a1j n HIS 157 Cb 0.30 -1.04 0.13 0.00 1.12 0.00 0.00 29.99 30.50 1a1j n HIS 157 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a1j h THR 158 N -0.65 0.19 -0.03 1.59 1.35 -1.45 -3.47 112.91 110.44 1a1j h THR 158 Ca -0.57 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.00 1a1j h THR 158 Cb 1.66 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1a1j h THR 158 CO -0.25 0.11 -0.01 0.61 -0.25 0.00 0.00 175.52 175.73 1a1j n GLY 159 N 1.13 0.42 3.72 5.82 0.00 -0.22 -4.98 105.19 111.08 1a1j n GLY 159 Ca 0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1a1j n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1j s GLU 160 N -0.69 4.33 -0.33 1.61 2.12 -1.24 -4.98 118.70 119.51 1a1j s GLU 160 Ca 0.00 2.05 -0.01 0.00 0.36 0.00 0.00 54.97 57.37 1a1j s GLU 160 Cb 0.00 -3.25 0.13 0.00 0.26 0.00 0.00 34.13 31.26 1a1j s GLU 160 CO 0.00 -0.42 0.19 0.15 -0.54 0.00 0.00 175.26 174.64 1a1j s LYS 161 N 1.07 0.45 0.01 4.30 1.02 -1.26 -4.38 119.74 120.95 1a1j s LYS 161 Ca 0.64 -1.10 0.23 0.00 0.02 0.00 0.00 55.97 55.76 1a1j s LYS 161 Cb -0.36 -1.26 0.99 0.00 -0.52 0.00 0.00 37.83 36.67 1a1j s LYS 161 CO 0.30 -1.16 1.75 -2.30 -0.92 0.00 0.00 175.35 173.03 1a1j n PRO 162 N 4.39 0.01 -3.81 -1.68 -0.02 -1.11 -4.42 135.00 128.36 1a1j n PRO 162 Ca 0.07 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 1a1j n PRO 162 Cb 0.38 -1.52 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1a1j n PRO 162 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1j s PHE 163 N -3.01 3.43 -0.13 6.00 0.08 -0.76 -4.96 117.98 118.63 1a1j s PHE 163 Ca 0.11 -2.07 -0.08 0.00 0.12 0.00 0.00 56.93 55.01 1a1j s PHE 163 Cb 0.15 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 1a1j s PHE 163 CO 0.43 -0.88 0.15 0.00 -0.10 0.00 0.00 175.22 174.82 1a1j s ALA 164 N 1.23 3.83 0.22 5.36 0.00 -1.26 -0.39 121.76 130.75 1a1j s ALA 164 Ca 0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1a1j s ALA 164 Cb -0.21 -2.03 -0.11 0.00 0.00 0.00 0.00 23.12 20.76 1a1j s ALA 164 CO -0.02 0.51 1.62 0.00 0.00 0.00 0.00 175.76 177.87 1a1j h ASP 166 N 6.13 0.00 0.00 0.00 3.32 -1.96 0.18 116.42 124.09 1a1j h ASP 166 Ca -0.44 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.47 1a1j h ASP 166 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1a1j h ASP 166 CO 0.89 0.07 -0.97 -0.38 -1.72 0.00 0.00 179.24 177.13 1a1j n ILE 167 N -3.70 1.49 0.16 0.35 2.08 -1.26 -4.74 119.36 113.74 1a1j n ILE 167 Ca -0.02 0.07 0.07 0.00 0.56 0.00 0.00 62.75 63.42 1a1j n ILE 167 Cb 0.18 -2.19 -0.10 0.00 -0.75 0.00 0.00 39.64 36.78 1a1j n ILE 167 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a1j n GLY 169 N 1.62 0.69 3.74 0.00 0.00 0.64 -4.96 105.19 106.93 1a1j n GLY 169 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1a1j n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a1j s ARG 170 N -0.31 4.27 0.22 1.61 3.52 -1.26 -4.32 118.95 122.68 1a1j s ARG 170 Ca 0.00 2.28 -0.11 0.00 -0.13 0.00 0.00 55.73 57.77 1a1j s ARG 170 Cb 0.00 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 1a1j s ARG 170 CO 0.00 -0.45 0.56 0.15 -0.81 0.00 0.00 175.30 174.75 1a1j s LYS 171 N 0.05 3.84 0.03 5.12 1.02 -1.26 -0.97 119.74 127.57 1a1j s LYS 171 Ca 0.62 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1a1j s LYS 171 Cb -0.41 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1a1j s LYS 171 CO 0.40 0.33 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.04 1a1j s PHE 172 N -1.77 0.52 0.24 3.18 0.40 0.48 -4.96 117.98 116.06 1a1j s PHE 172 Ca 0.46 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1a1j s PHE 172 Cb -0.12 -0.32 0.26 0.00 0.51 0.00 0.00 43.02 43.35 1a1j s PHE 172 CO 0.21 -0.10 1.58 0.00 0.70 0.00 0.00 175.22 177.60 1a1j h ALA 173 N 4.73 0.87 -3.68 5.36 0.00 -1.87 -1.98 119.26 122.68 1a1j h ALA 173 Ca -0.34 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 1a1j h ALA 173 Cb 1.20 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 1a1j h ALA 173 CO 0.42 0.68 -0.83 1.03 0.00 0.00 0.00 179.25 180.55 1a1j s ARG 174 N -3.94 1.14 0.45 0.00 0.52 -1.26 -4.59 118.95 111.28 1a1j s ARG 174 Ca -0.05 -1.17 0.15 0.00 -0.52 0.00 0.00 55.73 54.13 1a1j s ARG 174 Cb 0.12 -1.42 1.02 0.00 0.52 0.00 0.00 34.95 35.20 1a1j s ARG 174 CO 0.80 0.33 2.00 0.66 0.02 0.00 0.00 175.30 179.12 1a1j h SER 175 N 4.06 0.00 0.85 0.23 4.64 -1.95 -2.55 113.55 118.83 1a1j h SER 175 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1a1j h SER 175 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1a1j h SER 175 CO 0.40 0.17 -0.40 -2.24 -0.87 0.00 0.00 176.83 173.88 1a1j h ASP 176 N 0.00 0.00 -0.08 4.97 2.03 -1.98 -0.97 116.42 120.38 1a1j h ASP 176 Ca -0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 1a1j h ASP 176 Cb 0.30 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.82 1a1j h ASP 176 CO 0.02 0.40 -0.79 -0.33 -1.03 0.00 0.00 179.24 177.51 1a1j h GLU 177 N 0.00 0.68 -0.78 4.15 5.08 -1.88 -1.70 114.58 120.13 1a1j h GLU 177 Ca -0.00 -0.62 -0.03 0.00 -1.00 0.00 0.00 59.36 57.70 1a1j h GLU 177 Cb 0.94 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1a1j h GLU 177 CO 0.05 1.23 0.37 -0.09 -1.00 0.00 0.00 179.01 179.57 1a1j h ARG 178 N 0.35 1.12 -0.49 2.33 2.43 -1.34 -0.63 114.38 118.15 1a1j h ARG 178 Ca -0.08 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1a1j h ARG 178 Cb 1.44 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1a1j h ARG 178 CO 0.16 0.87 0.24 -0.22 -1.51 0.00 0.00 179.97 179.51 1a1j h LYS 179 N 1.11 0.70 0.00 0.20 3.64 -1.10 0.52 116.57 121.64 1a1j h LYS 179 Ca 0.27 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1a1j h LYS 179 Cb 0.12 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1a1j h LYS 179 CO -0.03 0.58 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.44 1a1j h ARG 180 N 0.64 0.00 0.04 1.90 2.43 -0.78 -3.15 114.38 115.46 1a1j h ARG 180 Ca 0.17 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1a1j h ARG 180 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1a1j h ARG 180 CO -0.02 0.20 -0.30 1.25 -1.51 0.00 0.00 179.97 179.58 1a1j h HIS 181 N 0.00 0.15 -1.05 2.20 2.76 -0.53 -3.37 115.15 115.32 1a1j h HIS 181 Ca -0.00 -0.11 0.27 0.00 -2.20 0.00 0.00 60.37 58.33 1a1j h HIS 181 Cb 0.41 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 1a1j h HIS 181 CO 0.00 1.12 0.69 1.15 -1.30 0.00 0.00 177.93 179.59 1a1j h THR 182 N -0.82 0.52 0.00 6.26 2.02 -0.87 -0.63 112.91 119.38 1a1j h THR 182 Ca -0.06 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1a1j h THR 182 Cb 1.20 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1a1j h THR 182 CO 0.03 0.06 0.00 0.07 0.37 0.00 0.00 175.52 176.05 1a1j h LYS 183 N 0.32 0.00 0.00 6.66 2.10 -1.71 -2.22 116.57 121.72 1a1j h LYS 183 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 1a1j h LYS 183 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 1a1j h LYS 183 CO -0.24 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.65 1a1j n ILE 184 N -2.53 0.57 1.50 0.07 -5.35 -0.24 -2.67 119.36 110.71 1a1j n ILE 184 Ca -0.01 0.06 0.15 0.00 -0.27 0.00 0.00 62.75 62.68 1a1j n ILE 184 Cb 0.10 -0.79 0.69 0.00 -1.74 0.00 0.00 39.64 37.89 1a1j n ILE 184 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1a1j n HIS 185 N -1.79 0.00 1.74 4.28 8.25 -0.83 -5.20 115.22 121.66 1a1j n HIS 185 Ca 0.05 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1a1j n HIS 185 Cb 0.29 -0.17 0.72 0.00 1.12 0.00 0.00 29.99 31.95 1a1j n HIS 185 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26