#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3k s ILE 115 N 0.00 4.24 -0.09 -0.08 -1.09 -1.26 -4.28 121.20 118.63 1a3k s ILE 115 Ca 0.00 1.81 -0.02 0.00 -2.23 0.00 0.00 60.65 60.21 1a3k s ILE 115 Cb 0.00 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1a3k s ILE 115 CO 0.00 0.26 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.27 1a3k s VAL 116 N 0.17 4.26 0.24 2.92 1.01 -1.26 -2.93 120.40 124.81 1a3k s VAL 116 Ca 0.50 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1a3k s VAL 116 Cb -0.26 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1a3k s VAL 116 CO 0.31 0.59 1.32 -2.16 0.00 0.00 0.00 175.10 175.17 1a3k s PRO 117 N -0.72 4.37 -0.00 2.72 0.04 -1.26 -5.01 135.00 135.13 1a3k s PRO 117 Ca 0.11 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1a3k s PRO 117 Cb -0.12 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1a3k s PRO 117 CO 0.02 -0.25 -0.06 -0.47 0.04 0.00 0.00 177.00 176.28 1a3k s TYR 118 N -0.24 2.91 -0.20 0.56 5.04 0.54 -4.95 117.35 121.01 1a3k s TYR 118 Ca 0.55 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1a3k s TYR 118 Cb -0.38 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.33 1a3k s TYR 118 CO 0.42 0.38 -0.16 1.21 -1.34 0.00 0.00 175.55 176.07 1a3k s ASN 119 N -1.39 3.53 -0.36 4.32 3.04 -1.26 -0.42 114.94 122.40 1a3k s ASN 119 Ca 0.17 -0.69 -0.07 0.00 0.04 0.00 0.00 52.86 52.31 1a3k s ASN 119 Cb -0.11 -1.54 0.05 0.00 -1.54 0.00 0.00 41.25 38.10 1a3k s ASN 119 CO 0.07 -0.03 0.14 -0.22 -3.04 0.00 0.00 177.10 174.02 1a3k s LEU 120 N 1.31 4.52 0.33 3.21 2.96 0.13 -4.96 118.68 126.17 1a3k s LEU 120 Ca 0.04 -1.22 -0.28 0.00 -0.22 0.00 0.00 54.13 52.45 1a3k s LEU 120 Cb -0.14 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 1a3k s LEU 120 CO -0.10 -0.37 1.12 -2.84 -1.32 0.00 0.00 176.35 172.84 1a3k s PRO 121 N 1.41 4.43 -0.53 0.98 0.02 -1.26 -0.72 135.00 139.32 1a3k s PRO 121 Ca -0.00 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.83 1a3k s PRO 121 Cb -0.20 -2.98 0.14 0.00 0.02 0.00 0.00 34.50 31.48 1a3k s PRO 121 CO 0.03 0.02 0.30 -0.51 -0.33 0.00 0.00 177.00 176.51 1a3k s LEU 122 N -1.87 4.82 -0.21 -5.54 1.43 -0.09 -4.91 118.68 112.31 1a3k s LEU 122 Ca 0.49 -2.77 -0.38 0.00 -1.03 0.00 0.00 54.13 50.45 1a3k s LEU 122 Cb -0.31 -1.74 -0.14 0.00 0.03 0.00 0.00 46.19 44.03 1a3k s LEU 122 CO 0.40 -0.33 1.82 -2.65 0.23 0.00 0.00 176.35 175.81 1a3k n PRO 123 N 3.52 1.56 -0.92 1.29 -0.02 -1.26 -1.11 135.00 138.06 1a3k n PRO 123 Ca 0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1a3k n PRO 123 Cb 0.36 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1a3k n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3k n GLY 124 N 4.38 0.69 0.00 -1.23 0.00 -1.26 -4.88 105.19 102.89 1a3k n GLY 124 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1a3k n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3k n GLY 125 N -2.59 -1.08 3.90 -0.02 0.00 -0.27 -4.64 105.19 100.50 1a3k n GLY 125 Ca 0.00 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1a3k n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a3k s VAL 126 N -1.05 4.90 -0.07 1.61 -7.23 -0.79 -4.88 120.40 112.89 1a3k s VAL 126 Ca 0.00 0.25 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 1a3k s VAL 126 Cb 0.00 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.12 1a3k s VAL 126 CO 0.00 -0.85 0.39 0.54 -0.31 0.00 0.00 175.10 174.87 1a3k s VAL 127 N -2.74 0.03 0.54 1.32 0.11 -1.26 -3.69 120.40 114.71 1a3k s VAL 127 Ca 0.48 -0.26 -0.20 0.00 -2.93 0.00 0.00 61.98 59.07 1a3k s VAL 127 Cb -0.10 -0.65 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1a3k s VAL 127 CO 0.45 -0.14 0.89 -2.65 -3.33 0.00 0.00 175.10 170.31 1a3k n PRO 128 N 1.77 0.95 -0.78 1.54 -0.02 -1.26 -1.79 135.00 135.41 1a3k n PRO 128 Ca -0.18 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1a3k n PRO 128 Cb 0.56 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1a3k n PRO 128 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a3k n ARG 129 N -0.46 0.00 -2.82 -0.52 1.74 0.35 -4.98 116.66 109.97 1a3k n ARG 129 Ca 0.12 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 1a3k n ARG 129 Cb 0.45 -2.25 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 1a3k n ARG 129 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1a3k s MET 130 N -0.02 4.48 -0.16 5.56 1.75 -0.74 -0.99 119.30 129.18 1a3k s MET 130 Ca 0.00 1.23 0.01 0.00 -1.25 0.00 0.00 55.69 55.68 1a3k s MET 130 Cb 0.00 -3.48 0.01 0.00 2.84 0.00 0.00 34.83 34.20 1a3k s MET 130 CO 0.00 -0.09 -0.20 -1.17 -0.65 0.00 0.00 175.02 172.92 1a3k s LEU 131 N 1.22 2.21 -0.16 4.11 2.96 0.66 -0.83 118.68 128.85 1a3k s LEU 131 Ca 0.46 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1a3k s LEU 131 Cb -0.19 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1a3k s LEU 131 CO 0.22 0.05 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.66 1a3k s ILE 132 N 0.97 4.13 -0.12 6.68 1.09 0.08 -0.52 121.20 133.52 1a3k s ILE 132 Ca -0.03 -0.27 0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1a3k s ILE 132 Cb -0.15 -2.82 0.01 0.00 -1.06 0.00 0.00 42.46 38.44 1a3k s ILE 132 CO -0.05 0.49 -0.23 -0.89 -0.10 0.00 0.00 174.94 174.17 1a3k s THR 133 N 0.31 2.09 -0.13 2.92 2.01 0.89 -0.94 115.64 122.80 1a3k s THR 133 Ca -0.02 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1a3k s THR 133 Cb -0.14 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.57 1a3k s THR 133 CO 0.02 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.68 1a3k s ILE 134 N 0.61 1.84 -0.07 1.82 1.01 0.13 -1.13 121.20 125.42 1a3k s ILE 134 Ca -0.12 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1a3k s ILE 134 Cb -0.17 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1a3k s ILE 134 CO 0.03 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.52 1a3k s LEU 135 N 0.90 2.41 0.00 2.97 1.43 -0.13 -0.64 118.68 125.63 1a3k s LEU 135 Ca -0.06 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1a3k s LEU 135 Cb -0.15 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1a3k s LEU 135 CO -0.02 0.26 0.20 0.61 0.23 0.00 0.00 176.35 177.62 1a3k n GLY 136 N 2.87 1.19 2.98 -3.19 0.00 -1.07 -0.71 105.19 107.26 1a3k n GLY 136 Ca -0.17 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 1a3k n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3k s THR 137 N -2.49 0.74 0.14 2.61 2.01 -0.52 -0.65 115.64 117.48 1a3k s THR 137 Ca 0.04 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1a3k s THR 137 Cb -0.01 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.76 1a3k s THR 137 CO 0.01 0.24 1.10 -0.69 -0.69 0.00 0.00 174.62 174.59 1a3k s VAL 138 N 0.38 4.01 0.60 3.82 1.01 -0.67 -1.11 120.40 128.43 1a3k s VAL 138 Ca -0.06 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 1a3k s VAL 138 Cb -0.10 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1a3k s VAL 138 CO 0.01 0.25 1.10 -0.54 0.00 0.00 0.00 175.10 175.92 1a3k s LYS 139 N -0.03 3.14 0.39 2.72 1.02 -0.45 -0.50 119.74 126.03 1a3k s LYS 139 Ca 0.51 1.43 -0.26 0.00 0.02 0.00 0.00 55.97 57.67 1a3k s LYS 139 Cb -0.28 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1a3k s LYS 139 CO 0.33 -0.98 1.23 -1.25 -0.92 0.00 0.00 175.35 173.76 1a3k s PRO 140 N -3.76 4.09 -1.17 -1.68 0.04 -1.26 -2.74 135.00 128.53 1a3k s PRO 140 Ca 0.68 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.73 1a3k s PRO 140 Cb -0.21 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1a3k s PRO 140 CO 0.34 -0.34 0.05 0.09 0.04 0.00 0.00 177.00 177.18 1a3k n ASN 141 N 0.25 -4.32 -4.77 6.66 5.03 -1.26 -4.92 115.26 111.94 1a3k n ASN 141 Ca 0.03 -0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.08 1a3k n ASN 141 Cb 0.45 -3.45 -0.01 0.00 -1.02 0.00 0.00 39.78 35.75 1a3k n ASN 141 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a3k s ALA 142 N -2.73 2.96 -0.10 5.41 0.00 -1.11 -4.97 121.76 121.23 1a3k s ALA 142 Ca 0.02 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1a3k s ALA 142 Cb -0.01 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1a3k s ALA 142 CO 0.03 -0.68 -0.04 -1.71 0.00 0.00 0.00 175.76 173.37 1a3k n ASN 143 N -0.53 3.02 -3.54 0.00 5.15 -1.26 -4.68 115.26 113.42 1a3k n ASN 143 Ca 0.07 -0.03 -0.10 0.00 -0.60 0.00 0.00 54.58 53.92 1a3k n ASN 143 Cb 0.48 0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.97 1a3k n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a3k s ARG 144 N -2.21 1.36 0.02 1.20 1.70 -1.26 -1.11 118.95 118.65 1a3k s ARG 144 Ca -0.10 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.59 1a3k s ARG 144 Cb 0.03 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1a3k s ARG 144 CO 0.30 -0.61 -0.04 0.42 -1.08 0.00 0.00 175.30 174.30 1a3k s ILE 145 N -3.73 0.22 -0.12 4.99 1.01 -0.88 -0.14 121.20 122.54 1a3k s ILE 145 Ca 0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1a3k s ILE 145 Cb -0.02 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 42.19 1a3k s ILE 145 CO -0.08 -0.31 0.30 0.00 0.00 0.00 0.00 174.94 174.86 1a3k s ALA 146 N -1.01 -0.73 -0.13 9.38 0.00 -0.39 -2.92 121.76 125.96 1a3k s ALA 146 Ca -0.09 1.08 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1a3k s ALA 146 Cb -0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 1a3k s ALA 146 CO -0.00 -0.20 -0.19 -0.51 0.00 0.00 0.00 175.76 174.86 1a3k s LEU 147 N 0.97 2.33 -0.27 0.00 1.43 -0.63 -1.31 118.68 121.20 1a3k s LEU 147 Ca -0.07 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1a3k s LEU 147 Cb -0.07 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 44.72 1a3k s LEU 147 CO -0.07 0.12 -0.03 -1.81 0.23 0.00 0.00 176.35 174.79 1a3k s ASP 148 N 0.60 4.14 -0.36 2.29 1.01 0.92 -1.40 116.67 123.87 1a3k s ASP 148 Ca -0.11 -1.45 -0.26 0.00 0.71 0.00 0.00 52.55 51.44 1a3k s ASP 148 Cb -0.16 -1.29 0.02 0.00 1.01 0.00 0.00 42.92 42.49 1a3k s ASP 148 CO 0.03 -0.28 0.95 -0.36 0.21 0.00 0.00 175.17 175.73 1a3k s PHE 149 N 1.28 3.08 -0.05 4.23 0.08 -0.20 -0.35 117.98 126.05 1a3k s PHE 149 Ca -0.01 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 57.87 1a3k s PHE 149 Cb -0.19 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.56 1a3k s PHE 149 CO -0.08 -0.83 -0.00 -0.65 -0.10 0.00 0.00 175.22 173.56 1a3k s GLN 150 N 3.52 2.89 -0.55 0.44 -0.21 0.11 0.10 119.66 125.97 1a3k s GLN 150 Ca 0.39 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 55.32 1a3k s GLN 150 Cb -0.12 -2.73 0.15 0.00 1.00 0.00 0.00 33.01 31.31 1a3k s GLN 150 CO 0.18 0.67 0.33 0.50 -2.12 0.00 0.00 175.29 174.85 1a3k s ARG 151 N -1.14 1.86 6.42 2.91 3.52 -0.35 -2.22 118.95 129.95 1a3k s ARG 151 Ca 0.16 -2.64 0.00 0.00 -0.13 0.00 0.00 55.73 53.12 1a3k s ARG 151 Cb -0.11 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1a3k s ARG 151 CO 0.05 -1.20 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 1a3k n GLY 152 N 2.86 1.91 0.20 8.12 0.00 -1.26 -1.82 105.19 115.21 1a3k n GLY 152 Ca 0.12 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.81 1a3k n GLY 152 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1a3k h ASN 153 N 2.93 0.00 -4.06 1.61 -1.24 -1.98 -3.45 115.58 109.39 1a3k h ASN 153 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 56.30 56.55 1a3k h ASN 153 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1a3k h ASN 153 CO 0.00 0.00 0.37 -1.81 -1.29 0.00 0.00 177.43 174.70 1a3k s ASP 154 N -5.58 6.62 -0.37 1.15 1.01 -0.75 -4.86 116.67 113.88 1a3k s ASP 154 Ca 0.06 1.83 -0.07 0.00 0.71 0.00 0.00 52.55 55.08 1a3k s ASP 154 Cb 0.08 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1a3k s ASP 154 CO 0.60 -0.59 0.17 -0.69 0.21 0.00 0.00 175.17 174.87 1a3k s VAL 155 N -2.04 3.94 0.21 -1.27 1.01 -0.28 -1.21 120.40 120.75 1a3k s VAL 155 Ca 0.65 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1a3k s VAL 155 Cb -0.14 -3.33 0.14 0.00 0.00 0.00 0.00 36.38 33.06 1a3k s VAL 155 CO 0.17 -0.33 1.75 0.00 0.00 0.00 0.00 175.10 176.70 1a3k h ALA 156 N 8.28 1.01 -2.50 5.51 0.00 0.39 -0.47 119.26 131.47 1a3k h ALA 156 Ca -0.22 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1a3k h ALA 156 Cb 1.08 -0.29 -0.30 0.00 0.00 0.00 0.00 17.79 18.28 1a3k h ALA 156 CO 0.67 0.67 -0.45 0.12 0.00 0.00 0.00 179.25 180.25 1a3k s PHE 157 N -5.43 -0.67 -0.24 0.00 5.36 -1.18 -4.60 117.98 111.21 1a3k s PHE 157 Ca -0.12 1.17 -0.05 0.00 -0.96 0.00 0.00 56.93 56.97 1a3k s PHE 157 Cb 0.15 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1a3k s PHE 157 CO 0.84 -0.49 0.00 -1.58 -1.46 0.00 0.00 175.22 172.53 1a3k s HIS 158 N 2.53 3.03 -0.28 10.12 5.65 0.98 -1.04 115.29 136.28 1a3k s HIS 158 Ca 0.02 -0.92 -0.05 0.00 0.25 0.00 0.00 55.06 54.37 1a3k s HIS 158 Cb -0.13 -2.16 0.02 0.00 -1.18 0.00 0.00 32.58 29.13 1a3k s HIS 158 CO -0.12 -0.54 0.03 0.12 -0.65 0.00 0.00 174.74 173.58 1a3k s PHE 159 N 1.49 3.13 -0.48 3.88 5.36 -0.49 -1.41 117.98 129.47 1a3k s PHE 159 Ca 0.05 -1.26 0.03 0.00 -0.96 0.00 0.00 56.93 54.79 1a3k s PHE 159 Cb -0.15 -2.18 0.16 0.00 -0.34 0.00 0.00 43.02 40.50 1a3k s PHE 159 CO -0.01 -0.65 0.33 1.21 -1.46 0.00 0.00 175.22 174.64 1a3k s ASN 160 N 1.42 2.99 0.12 6.13 3.04 0.13 -1.60 114.94 127.16 1a3k s ASN 160 Ca 0.01 -3.00 -0.31 0.00 0.04 0.00 0.00 52.86 49.59 1a3k s ASN 160 Cb -0.17 -0.86 -0.09 0.00 -1.54 0.00 0.00 41.25 38.59 1a3k s ASN 160 CO -0.00 -0.20 1.49 -2.84 -3.04 0.00 0.00 177.10 172.52 1a3k s PRO 161 N -0.06 4.26 -0.21 0.43 0.02 -1.15 -1.60 135.00 136.70 1a3k s PRO 161 Ca 0.25 2.21 -0.00 0.00 0.02 0.00 0.00 61.00 63.48 1a3k s PRO 161 Cb -0.09 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.15 1a3k s PRO 161 CO -0.11 -0.55 -0.14 1.03 -0.33 0.00 0.00 177.00 176.90 1a3k s ARG 162 N 1.45 2.97 0.28 5.54 0.52 0.14 -2.08 118.95 127.78 1a3k s ARG 162 Ca 0.68 -0.86 0.12 0.00 -0.52 0.00 0.00 55.73 55.15 1a3k s ARG 162 Cb -0.39 -2.75 0.35 0.00 0.52 0.00 0.00 34.95 32.68 1a3k s ARG 162 CO 0.31 -0.27 1.59 0.74 0.02 0.00 0.00 175.30 177.69 1a3k h PHE 163 N 7.97 0.00 -2.47 -0.53 -1.00 -1.39 -1.14 116.94 118.39 1a3k h PHE 163 Ca -0.41 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.79 1a3k h PHE 163 Cb 1.13 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.31 1a3k h PHE 163 CO 0.52 0.60 -0.91 1.21 -1.61 0.00 0.00 178.31 178.12 1a3k s ASN 164 N -6.70 2.21 -0.42 2.17 3.84 -1.24 -4.10 114.94 110.70 1a3k s ASN 164 Ca -0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 52.86 50.45 1a3k s ASN 164 Cb 0.12 -0.40 0.11 0.00 -0.55 0.00 0.00 41.25 40.53 1a3k s ASN 164 CO 0.75 -0.24 0.21 -0.70 -2.79 0.00 0.00 177.10 174.33 1a3k s GLU 165 N 0.61 2.01 -1.22 0.43 2.12 0.12 -4.49 118.70 118.27 1a3k s GLU 165 Ca 0.25 -1.87 -0.07 0.00 0.36 0.00 0.00 54.97 53.64 1a3k s GLU 165 Cb -0.10 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.72 1a3k s GLU 165 CO -0.09 -1.07 1.06 0.09 -0.54 0.00 0.00 175.26 174.71 1a3k n ASN 166 N 4.50 -5.67 -2.47 -1.70 4.13 -1.26 -1.52 115.26 111.28 1a3k n ASN 166 Ca -0.01 -0.49 -0.20 0.00 1.68 0.00 0.00 54.58 55.55 1a3k n ASN 166 Cb 0.41 -4.61 0.01 0.00 -1.54 0.00 0.00 39.78 34.05 1a3k n ASN 166 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1a3k n ASN 167 N -2.61 -5.72 -4.19 6.41 3.02 -1.26 -4.99 115.26 105.92 1a3k n ASN 167 Ca -0.01 -0.11 -0.21 0.00 -0.03 0.00 0.00 54.58 54.21 1a3k n ASN 167 Cb 0.56 -4.68 -0.13 0.00 -0.61 0.00 0.00 39.78 34.93 1a3k n ASN 167 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1a3k s ARG 168 N -5.23 1.04 -0.26 3.52 1.81 -0.57 -5.05 118.95 114.21 1a3k s ARG 168 Ca 0.11 -0.89 -0.09 0.00 -1.72 0.00 0.00 55.73 53.14 1a3k s ARG 168 Cb -0.05 -1.11 -0.04 0.00 -0.45 0.00 0.00 34.95 33.31 1a3k s ARG 168 CO 0.13 0.27 0.13 1.03 -0.68 0.00 0.00 175.30 176.18 1a3k s ARG 169 N -1.37 3.83 0.02 3.54 0.52 -1.26 0.11 118.95 124.34 1a3k s ARG 169 Ca 0.03 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1a3k s ARG 169 Cb -0.09 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 1a3k s ARG 169 CO 0.02 -0.15 0.06 0.54 0.02 0.00 0.00 175.30 175.79 1a3k s VAL 170 N 1.59 0.11 -0.21 3.52 0.11 -0.43 -4.82 120.40 120.27 1a3k s VAL 170 Ca 0.07 -0.88 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1a3k s VAL 170 Cb -0.15 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1a3k s VAL 170 CO 0.07 -0.49 0.01 -0.63 -3.33 0.00 0.00 175.10 170.73 1a3k s ILE 171 N -1.69 3.93 -0.15 7.04 1.01 -0.34 0.28 121.20 131.28 1a3k s ILE 171 Ca -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1a3k s ILE 171 Cb -0.07 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1a3k s ILE 171 CO -0.01 0.41 -0.03 -0.69 0.00 0.00 0.00 174.94 174.62 1a3k s VAL 172 N 1.20 3.96 -0.06 2.92 1.01 -0.63 -0.79 120.40 128.00 1a3k s VAL 172 Ca 0.03 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1a3k s VAL 172 Cb -0.15 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1a3k s VAL 172 CO 0.01 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.38 1a3k s ASN 174 N -0.01 -0.07 0.00 0.00 3.84 -0.50 -1.08 114.94 117.13 1a3k s ASN 174 Ca -0.07 -0.96 0.04 0.00 0.21 0.00 0.00 52.86 52.08 1a3k s ASN 174 Cb -0.14 0.80 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 1a3k s ASN 174 CO 0.05 -1.55 -0.14 -0.89 -2.79 0.00 0.00 177.10 171.78 1a3k s THR 175 N -2.92 1.08 -0.17 -5.21 2.01 -1.26 -0.02 115.64 109.15 1a3k s THR 175 Ca 0.14 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1a3k s THR 175 Cb -0.05 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1a3k s THR 175 CO 0.10 0.22 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.30 1a3k s LYS 176 N -0.53 3.00 -0.12 4.92 2.20 -0.19 -1.09 119.74 127.93 1a3k s LYS 176 Ca 0.04 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.83 1a3k s LYS 176 Cb -0.06 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 1a3k s LYS 176 CO -0.00 -0.17 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.15 1a3k s LEU 177 N 1.18 1.79 -1.30 5.43 1.43 0.34 -1.13 118.68 126.42 1a3k s LEU 177 Ca 0.02 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1a3k s LEU 177 Cb -0.14 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1a3k s LEU 177 CO -0.10 0.01 0.72 0.47 0.23 0.00 0.00 176.35 177.67 1a3k n ASP 178 N 4.33 -1.24 0.00 2.29 8.00 -1.26 -1.49 116.55 127.17 1a3k n ASP 178 Ca -0.19 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1a3k n ASP 178 Cb 0.51 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 1a3k n ASP 178 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a3k n ASN 179 N -3.06 -0.17 -4.49 -2.24 5.15 -1.26 -4.99 115.26 104.20 1a3k n ASN 179 Ca -0.30 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.35 1a3k n ASN 179 Cb 0.68 -1.00 -0.12 0.00 -0.53 0.00 0.00 39.78 38.80 1a3k n ASN 179 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1a3k s ASN 180 N -2.59 4.65 0.42 1.20 0.01 -0.55 -5.11 114.94 112.97 1a3k s ASN 180 Ca 0.00 -0.15 -0.22 0.00 -0.71 0.00 0.00 52.86 51.79 1a3k s ASN 180 Cb 0.00 -1.68 -0.11 0.00 0.41 0.00 0.00 41.25 39.87 1a3k s ASN 180 CO 0.00 0.19 0.96 0.26 -1.51 0.00 0.00 177.10 177.00 1a3k s TRP 181 N 0.21 3.35 0.00 2.20 0.52 -1.26 -0.50 118.94 123.45 1a3k s TRP 181 Ca -0.03 1.63 0.00 0.00 0.02 0.00 0.00 56.10 57.72 1a3k s TRP 181 Cb -0.14 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1a3k s TRP 181 CO 0.03 -0.11 0.00 0.41 0.02 0.00 0.00 176.95 177.30 1a3k n GLY 182 N -0.43 2.03 3.67 0.98 0.00 -0.25 -4.92 105.19 106.27 1a3k n GLY 182 Ca 0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1a3k n GLY 182 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a3k s ARG 183 N 4.37 4.30 0.39 1.61 3.52 -1.26 -4.90 118.95 126.98 1a3k s ARG 183 Ca 0.00 1.39 -0.25 0.00 -0.13 0.00 0.00 55.73 56.74 1a3k s ARG 183 Cb 0.00 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1a3k s ARG 183 CO 0.00 -0.55 1.09 -1.21 -0.81 0.00 0.00 175.30 173.82 1a3k s GLU 184 N 2.88 4.15 -0.16 5.12 2.02 -1.26 -4.77 118.70 126.68 1a3k s GLU 184 Ca 0.46 1.63 0.02 0.00 0.02 0.00 0.00 54.97 57.09 1a3k s GLU 184 Cb -0.16 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.46 1a3k s GLU 184 CO 0.10 -0.18 -0.20 -1.21 0.02 0.00 0.00 175.26 173.78 1a3k s GLU 185 N -2.37 3.03 -0.02 1.61 2.02 -0.24 -4.98 118.70 117.76 1a3k s GLU 185 Ca 0.57 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.77 1a3k s GLU 185 Cb -0.25 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 1a3k s GLU 185 CO 0.32 -0.11 -0.13 1.03 0.02 0.00 0.00 175.26 176.39 1a3k s ARG 186 N 1.05 2.42 -0.09 1.61 0.52 -1.26 -0.47 118.95 122.73 1a3k s ARG 186 Ca -0.01 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1a3k s ARG 186 Cb -0.14 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 32.97 1a3k s ARG 186 CO -0.07 0.60 -0.19 -1.14 0.02 0.00 0.00 175.30 174.52 1a3k s GLN 187 N -1.06 2.51 0.10 3.54 -0.44 0.03 -4.97 119.66 119.37 1a3k s GLN 187 Ca 0.13 -0.69 0.10 0.00 -2.50 0.00 0.00 55.36 52.41 1a3k s GLN 187 Cb -0.11 -1.95 -0.16 0.00 -1.64 0.00 0.00 33.01 29.15 1a3k s GLN 187 CO 0.03 0.11 1.13 0.77 0.50 0.00 0.00 175.29 177.83 1a3k h SER 188 N 6.83 0.00 -2.41 6.67 0.02 -1.89 -0.90 113.55 121.87 1a3k h SER 188 Ca -0.24 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.15 1a3k h SER 188 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1a3k h SER 188 CO 0.47 0.88 1.27 -0.69 -1.14 0.00 0.00 176.83 177.62 1a3k s VAL 189 N -2.75 3.28 -0.33 2.27 1.01 -1.26 -4.84 120.40 117.78 1a3k s VAL 189 Ca -0.00 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1a3k s VAL 189 Cb 0.09 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 33.28 1a3k s VAL 189 CO 0.81 -0.12 0.04 0.12 0.00 0.00 0.00 175.10 175.95 1a3k s PHE 190 N 5.91 3.67 -1.73 5.22 2.19 -1.26 -4.76 117.98 127.22 1a3k s PHE 190 Ca 0.85 -2.93 0.27 0.00 0.33 0.00 0.00 56.93 55.45 1a3k s PHE 190 Cb -0.33 -2.84 0.90 0.00 -1.31 0.00 0.00 43.02 39.45 1a3k s PHE 190 CO 0.35 -0.94 1.66 -0.35 1.83 0.00 0.00 175.22 177.76 1a3k n PRO 191 N 4.28 0.80 -2.79 10.12 -0.04 -1.26 -4.92 135.00 141.20 1a3k n PRO 191 Ca 0.03 -0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 62.75 1a3k n PRO 191 Cb 0.42 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1a3k n PRO 191 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a3k s PHE 192 N -2.49 3.41 -0.02 0.54 0.08 -1.26 -5.04 117.98 113.20 1a3k s PHE 192 Ca 0.26 1.31 -0.00 0.00 0.12 0.00 0.00 56.93 58.61 1a3k s PHE 192 Cb 0.19 -2.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1a3k s PHE 192 CO 0.50 -0.13 0.03 -1.21 -0.10 0.00 0.00 175.22 174.31 1a3k s GLU 193 N -3.58 0.02 0.17 0.44 2.02 -1.26 -5.11 118.70 111.40 1a3k s GLU 193 Ca 0.56 0.19 -0.33 0.00 0.02 0.00 0.00 54.97 55.41 1a3k s GLU 193 Cb -0.10 -0.33 -0.14 0.00 0.10 0.00 0.00 34.13 33.66 1a3k s GLU 193 CO 0.25 -0.19 1.47 0.43 0.02 0.00 0.00 175.26 177.24 1a3k n SER 194 N 4.34 2.69 0.00 -0.19 7.64 -1.26 -1.49 113.62 125.34 1a3k n SER 194 Ca -0.24 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1a3k n SER 194 Cb 0.50 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1a3k n SER 194 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3k n GLY 195 N 2.83 1.89 3.65 0.23 0.00 0.35 -4.84 105.19 109.29 1a3k n GLY 195 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1a3k n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3k s LYS 196 N -0.07 2.56 0.48 1.61 1.02 -0.56 -4.70 119.74 120.09 1a3k s LYS 196 Ca 0.00 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 1a3k s LYS 196 Cb 0.00 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 1a3k s LYS 196 CO 0.00 0.58 1.28 -2.14 -0.92 0.00 0.00 175.35 174.15 1a3k s PRO 197 N -1.83 3.58 0.16 -1.68 0.02 -1.26 -1.67 135.00 132.32 1a3k s PRO 197 Ca 0.21 2.07 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1a3k s PRO 197 Cb -0.11 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1a3k s PRO 197 CO 0.12 -0.78 0.07 -0.59 -0.33 0.00 0.00 177.00 175.49 1a3k s PHE 198 N -1.37 1.01 -0.04 6.54 -0.12 0.18 -4.92 117.98 119.25 1a3k s PHE 198 Ca 0.65 -1.23 -0.01 0.00 -0.05 0.00 0.00 56.93 56.28 1a3k s PHE 198 Cb -0.36 -0.55 0.03 0.00 -0.63 0.00 0.00 43.02 41.51 1a3k s PHE 198 CO 0.44 -0.49 0.05 0.21 -0.05 0.00 0.00 175.22 175.38 1a3k s LYS 199 N -4.05 0.03 -0.12 1.99 2.20 -1.26 -2.58 119.74 115.94 1a3k s LYS 199 Ca 0.28 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 1a3k s LYS 199 Cb 0.07 -0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 35.85 1a3k s LYS 199 CO 0.05 -0.29 -0.09 0.42 -0.36 0.00 0.00 175.35 175.07 1a3k s ILE 200 N 1.91 3.42 -0.08 5.43 1.01 0.19 -0.01 121.20 133.08 1a3k s ILE 200 Ca 0.02 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1a3k s ILE 200 Cb -0.12 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1a3k s ILE 200 CO -0.03 0.53 -0.17 -1.10 0.00 0.00 0.00 174.94 174.17 1a3k s GLN 201 N 0.09 2.25 -0.24 2.79 -0.21 -0.02 -0.69 119.66 123.63 1a3k s GLN 201 Ca -0.03 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1a3k s GLN 201 Cb -0.14 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.11 1a3k s GLN 201 CO 0.04 0.08 -0.08 0.08 -2.12 0.00 0.00 175.29 173.29 1a3k s VAL 202 N 0.55 2.80 -0.24 1.09 1.01 -0.11 -1.38 120.40 124.12 1a3k s VAL 202 Ca -0.16 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 1a3k s VAL 202 Cb -0.17 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1a3k s VAL 202 CO 0.06 0.25 0.09 -0.22 0.00 0.00 0.00 175.10 175.28 1a3k s LEU 203 N 1.33 3.64 -0.24 3.92 2.96 0.67 -0.74 118.68 130.22 1a3k s LEU 203 Ca 0.01 -0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.57 1a3k s LEU 203 Cb -0.16 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1a3k s LEU 203 CO -0.05 0.02 0.87 -0.69 -1.32 0.00 0.00 176.35 175.18 1a3k s VAL 204 N 1.30 4.80 0.42 1.68 1.01 -0.01 -0.64 120.40 128.97 1a3k s VAL 204 Ca 0.05 1.67 0.07 0.00 0.00 0.00 0.00 61.98 63.77 1a3k s VAL 204 Cb -0.15 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1a3k s VAL 204 CO 0.04 -0.09 0.23 -1.61 0.00 0.00 0.00 175.10 173.67 1a3k s GLU 205 N 2.90 2.30 0.26 2.72 0.41 -0.09 -0.50 118.70 126.71 1a3k s GLU 205 Ca 0.37 -1.79 -0.03 0.00 -0.41 0.00 0.00 54.97 53.11 1a3k s GLU 205 Cb -0.15 -2.07 0.36 0.00 -1.78 0.00 0.00 34.13 30.49 1a3k s GLU 205 CO 0.07 -0.16 1.91 -1.35 -0.49 0.00 0.00 175.26 175.24 1a3k h PRO 206 N 1.31 1.20 0.00 0.39 0.11 -1.96 -3.28 132.00 129.77 1a3k h PRO 206 Ca -0.42 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a3k h PRO 206 Cb 1.26 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1a3k h PRO 206 CO 0.67 0.80 -1.23 -0.25 -0.21 0.00 0.00 178.00 177.78 1a3k n ASP 207 N -4.45 1.57 -4.07 -2.05 8.00 -1.26 -4.96 116.55 109.35 1a3k n ASP 207 Ca 0.14 -0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 1a3k n ASP 207 Cb 0.11 1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 42.50 1a3k n ASP 207 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1a3k s HIS 208 N -2.62 0.67 -0.16 1.24 -3.43 -1.24 -1.95 115.29 107.80 1a3k s HIS 208 Ca -0.01 -1.02 -0.13 0.00 -0.80 0.00 0.00 55.06 53.10 1a3k s HIS 208 Cb 0.08 -0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 30.93 1a3k s HIS 208 CO 0.52 -0.67 0.27 -0.06 -2.00 0.00 0.00 174.74 172.79 1a3k s PHE 209 N -4.03 3.46 -0.19 0.38 0.08 0.14 -0.91 117.98 116.92 1a3k s PHE 209 Ca 0.24 0.56 -0.04 0.00 0.12 0.00 0.00 56.93 57.80 1a3k s PHE 209 Cb 0.05 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1a3k s PHE 209 CO 0.04 0.27 -0.02 0.21 -0.10 0.00 0.00 175.22 175.61 1a3k s LYS 210 N 0.37 3.60 -0.11 0.44 2.20 0.19 -0.29 119.74 126.14 1a3k s LYS 210 Ca 0.15 -0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1a3k s LYS 210 Cb -0.13 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1a3k s LYS 210 CO 0.03 0.06 -0.10 0.08 -0.36 0.00 0.00 175.35 175.06 1a3k s VAL 211 N 0.84 3.34 -0.04 4.02 1.01 0.13 -0.24 120.40 129.47 1a3k s VAL 211 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1a3k s VAL 211 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1a3k s VAL 211 CO 0.02 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.53 1a3k s ALA 212 N 0.01 1.13 -0.09 5.51 0.00 -0.48 0.14 121.76 127.99 1a3k s ALA 212 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1a3k s ALA 212 Cb -0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1a3k s ALA 212 CO 0.04 0.18 -0.23 0.08 0.00 0.00 0.00 175.76 175.83 1a3k s VAL 213 N 0.20 2.19 -1.50 0.00 1.01 -0.19 -0.84 120.40 121.26 1a3k s VAL 213 Ca -0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1a3k s VAL 213 Cb -0.10 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1a3k s VAL 213 CO 0.01 0.56 0.76 0.59 0.00 0.00 0.00 175.10 177.02 1a3k n ASN 214 N 3.34 -2.72 0.00 3.32 3.02 0.99 -1.41 115.26 121.80 1a3k n ASN 214 Ca -0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1a3k n ASN 214 Cb 0.53 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 1a3k n ASN 214 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a3k n ASP 215 N -2.88 -2.60 -4.50 6.41 8.00 -1.26 -4.99 116.55 114.73 1a3k n ASP 215 Ca -0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.06 1a3k n ASP 215 Cb 0.59 -1.71 -0.12 0.00 -0.02 0.00 0.00 41.12 39.86 1a3k n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3k s ALA 216 N -1.91 2.96 0.24 2.24 0.00 -0.50 -5.07 121.76 119.72 1a3k s ALA 216 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1a3k s ALA 216 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 23.12 21.56 1a3k s ALA 216 CO 0.00 0.29 1.57 -1.58 0.00 0.00 0.00 175.76 176.04 1a3k s HIS 217 N 0.13 2.90 -0.10 0.00 2.46 -1.26 -1.02 115.29 118.40 1a3k s HIS 217 Ca -0.02 0.74 -0.08 0.00 0.47 0.00 0.00 55.06 56.17 1a3k s HIS 217 Cb -0.14 -3.99 -0.05 0.00 -0.13 0.00 0.00 32.58 28.27 1a3k s HIS 217 CO 0.03 -3.45 -0.19 -0.11 -2.47 0.00 0.00 174.74 168.55 1a3k n LEU 218 N 2.85 1.29 -3.82 8.88 7.94 0.12 -4.84 117.00 129.43 1a3k n LEU 218 Ca 0.10 0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 55.13 1a3k n LEU 218 Cb 0.38 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 1a3k n LEU 218 CO 0.62 -0.09 0.39 -1.48 -1.11 0.00 0.00 177.39 175.73 1a3k s LEU 219 N -7.13 -0.16 0.04 -1.96 0.05 -0.89 -5.01 118.68 103.61 1a3k s LEU 219 Ca -0.18 -0.57 0.07 0.00 0.05 0.00 0.00 54.13 53.49 1a3k s LEU 219 Cb 0.05 2.49 -0.02 0.00 -2.05 0.00 0.00 46.19 46.66 1a3k s LEU 219 CO 0.24 -1.24 -0.19 -1.10 -0.55 0.00 0.00 176.35 173.51 1a3k s GLN 220 N -3.91 1.32 -0.21 1.48 -0.21 -1.26 0.17 119.66 117.05 1a3k s GLN 220 Ca 0.11 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 1a3k s GLN 220 Cb -0.04 -1.41 0.06 0.00 1.00 0.00 0.00 33.01 32.62 1a3k s GLN 220 CO 0.04 0.36 -0.02 -0.47 -2.12 0.00 0.00 175.29 173.07 1a3k s TYR 221 N -0.78 1.79 0.25 0.91 5.04 0.60 -4.94 117.35 120.23 1a3k s TYR 221 Ca 0.06 -1.31 -0.31 0.00 -2.44 0.00 0.00 57.07 53.08 1a3k s TYR 221 Cb -0.09 -1.34 -0.11 0.00 0.35 0.00 0.00 41.96 40.78 1a3k s TYR 221 CO 0.01 -0.68 1.59 1.21 -1.34 0.00 0.00 175.55 176.34 1a3k s ASN 222 N 1.60 6.45 -0.17 4.32 2.47 -1.26 -0.68 114.94 127.67 1a3k s ASN 222 Ca -0.03 2.84 -0.28 0.00 0.42 0.00 0.00 52.86 55.80 1a3k s ASN 222 Cb -0.17 -2.62 -0.06 0.00 -1.45 0.00 0.00 41.25 36.95 1a3k s ASN 222 CO -0.07 -0.87 2.15 -1.00 -3.72 0.00 0.00 177.10 173.58 1a3k s HIS 223 N 0.40 1.22 -0.12 0.43 3.76 -0.82 -4.84 115.29 115.32 1a3k s HIS 223 Ca 0.66 0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.93 1a3k s HIS 223 Cb -0.47 -4.00 -0.24 0.00 1.11 0.00 0.00 32.58 28.98 1a3k s HIS 223 CO 0.41 -4.35 0.36 0.54 -0.85 0.00 0.00 174.74 170.86 1a3k n ARG 224 N 8.48 0.70 -3.28 1.40 1.74 -1.26 -4.70 116.66 119.74 1a3k n ARG 224 Ca 0.27 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 1a3k n ARG 224 Cb 0.44 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 1a3k n ARG 224 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a3k s VAL 225 N -2.56 5.04 -0.29 1.55 1.01 -1.26 -4.96 120.40 118.93 1a3k s VAL 225 Ca -0.17 -0.04 0.20 0.00 0.00 0.00 0.00 61.98 61.97 1a3k s VAL 225 Cb 0.07 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.58 1a3k s VAL 225 CO 0.77 -0.35 1.35 0.11 0.00 0.00 0.00 175.10 176.98 1a3k h LYS 226 N 8.64 0.00 -4.98 2.72 1.79 -2.00 -3.40 116.57 119.34 1a3k h LYS 226 Ca -0.27 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.49 1a3k h LYS 226 Cb 1.12 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.67 1a3k h LYS 226 CO 0.79 0.15 2.25 1.63 -1.08 0.00 0.00 179.45 183.19 1a3k n LYS 227 N -3.01 3.19 -0.34 3.15 5.02 -1.26 -4.82 118.16 120.10 1a3k n LYS 227 Ca 0.01 -3.25 0.06 0.00 -2.02 0.00 0.00 58.31 53.11 1a3k n LYS 227 Cb 0.62 -3.31 0.22 0.00 -0.02 0.00 0.00 35.03 32.54 1a3k n LYS 227 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1a3k h LEU 228 N 10.96 0.85 -0.89 -0.35 3.38 -1.86 -1.12 115.31 126.27 1a3k h LEU 228 Ca 0.45 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1a3k h LEU 228 Cb 0.79 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1a3k h LEU 228 CO 1.54 0.45 0.00 -0.46 0.09 0.00 0.00 178.44 180.06 1a3k n ASN 229 N -4.66 0.41 -0.32 -0.43 0.23 -1.24 -1.49 115.26 107.76 1a3k n ASN 229 Ca 0.18 0.67 0.12 0.00 -0.53 0.00 0.00 54.58 55.01 1a3k n ASN 229 Cb 0.34 -0.73 0.15 0.00 -2.08 0.00 0.00 39.78 37.46 1a3k n ASN 229 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1a3k n GLU 230 N -2.03 0.86 -2.92 -3.83 1.02 -0.42 -3.35 120.64 109.98 1a3k n GLU 230 Ca -0.00 -0.64 -0.44 0.00 -0.02 0.00 0.00 57.16 56.06 1a3k n GLU 230 Cb 0.06 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1a3k n GLU 230 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1a3k s ILE 231 N -2.57 4.64 -0.33 -3.67 1.01 -0.55 -4.41 121.20 115.31 1a3k s ILE 231 Ca 0.19 -1.28 0.11 0.00 0.00 0.00 0.00 60.65 59.67 1a3k s ILE 231 Cb 0.18 -4.75 0.26 0.00 0.01 0.00 0.00 42.46 38.17 1a3k s ILE 231 CO 0.59 -1.48 1.20 -1.54 0.00 0.00 0.00 174.94 173.71 1a3k n SER 232 N 6.81 2.75 -3.83 3.58 3.41 -0.94 -1.89 113.62 123.51 1a3k n SER 232 Ca 0.16 -2.45 -0.12 0.00 -0.26 0.00 0.00 58.87 56.20 1a3k n SER 232 Cb 0.48 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1a3k n SER 232 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1a3k s LYS 233 N -1.80 0.41 -0.13 4.33 1.02 -1.20 -0.91 119.74 121.46 1a3k s LYS 233 Ca 0.23 -0.10 -0.00 0.00 0.02 0.00 0.00 55.97 56.11 1a3k s LYS 233 Cb 0.17 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1a3k s LYS 233 CO 0.07 -0.09 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.14 1a3k s LEU 234 N -0.78 1.39 -0.19 3.17 2.96 0.10 -0.71 118.68 124.62 1a3k s LEU 234 Ca -0.09 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1a3k s LEU 234 Cb -0.05 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 1a3k s LEU 234 CO 0.01 -0.10 0.12 -0.83 -1.32 0.00 0.00 176.35 174.24 1a3k s GLY 235 N 1.62 2.04 -0.16 7.98 0.00 0.52 -0.69 107.32 118.63 1a3k s GLY 235 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1a3k s GLY 235 CO -0.09 0.06 -0.18 -0.42 0.00 0.00 0.00 173.10 172.47 1a3k s ILE 236 N 0.18 2.28 0.33 0.90 1.01 0.44 -0.05 121.20 126.29 1a3k s ILE 236 Ca 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1a3k s ILE 236 Cb -0.11 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1a3k s ILE 236 CO -0.01 0.53 0.47 -0.94 0.00 0.00 0.00 174.94 174.99 1a3k s SER 237 N 1.05 0.74 0.00 3.58 1.04 -0.43 -0.34 113.70 119.34 1a3k s SER 237 Ca -0.01 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1a3k s SER 237 Cb -0.14 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1a3k s SER 237 CO -0.06 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1a3k n GLY 238 N -0.53 0.19 2.84 7.32 0.00 -1.26 -1.26 105.19 112.50 1a3k n GLY 238 Ca 0.00 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 1a3k n GLY 238 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3k n ASP 239 N 0.00 4.76 -4.02 1.61 8.00 0.80 -4.90 116.55 122.81 1a3k n ASP 239 Ca 0.00 -3.04 -0.08 0.00 0.71 0.00 0.00 54.79 52.38 1a3k n ASP 239 Cb 0.00 -1.53 -0.09 0.00 -0.02 0.00 0.00 41.12 39.48 1a3k n ASP 239 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a3k s ILE 240 N 1.16 0.16 -0.30 0.53 -4.36 -1.26 -1.34 121.20 115.79 1a3k s ILE 240 Ca 0.42 -1.60 -0.09 0.00 -0.26 0.00 0.00 60.65 59.11 1a3k s ILE 240 Cb 0.11 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 1a3k s ILE 240 CO -0.02 -0.74 0.15 -1.81 0.24 0.00 0.00 174.94 172.76 1a3k s ASP 241 N -2.93 5.55 -0.24 4.36 1.01 -0.27 -4.89 116.67 119.26 1a3k s ASP 241 Ca 0.10 -0.41 -0.23 0.00 0.71 0.00 0.00 52.55 52.73 1a3k s ASP 241 Cb 0.07 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 1a3k s ASP 241 CO -0.07 -0.15 0.73 -0.22 0.21 0.00 0.00 175.17 175.67 1a3k s LEU 242 N 1.63 4.08 -0.22 1.23 2.96 -1.26 -1.44 118.68 125.66 1a3k s LEU 242 Ca 0.05 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1a3k s LEU 242 Cb -0.17 -3.03 -0.19 0.00 0.50 0.00 0.00 46.19 43.30 1a3k s LEU 242 CO 0.06 -0.43 -0.07 0.41 -1.32 0.00 0.00 176.35 175.00 1a3k n THR 243 N 5.16 1.57 -3.62 3.68 -1.04 0.11 -2.22 114.28 117.92 1a3k n THR 243 Ca 0.02 -0.55 -0.16 0.00 -2.04 0.00 0.00 64.05 61.33 1a3k n THR 243 Cb 0.48 -1.58 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 1a3k n THR 243 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1a3k s SER 244 N -6.78 -0.49 -0.21 8.00 0.15 -0.61 -4.65 113.70 109.13 1a3k s SER 244 Ca -0.32 0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 1a3k s SER 244 Cb 0.09 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 65.03 1a3k s SER 244 CO 0.63 -0.50 0.35 0.00 1.20 0.00 0.00 173.24 174.92 1a3k s ALA 245 N -1.07 -0.92 0.33 5.45 0.00 -1.26 -0.96 121.76 123.34 1a3k s ALA 245 Ca -0.11 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 1a3k s ALA 245 Cb -0.02 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1a3k s ALA 245 CO 0.07 -1.00 0.55 -1.54 0.00 0.00 0.00 175.76 173.83 1a3k s SER 246 N 2.52 0.52 0.07 0.00 1.04 -0.28 -5.00 113.70 112.57 1a3k s SER 246 Ca 0.06 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 1a3k s SER 246 Cb -0.14 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1a3k s SER 246 CO -0.13 -1.36 0.12 -0.72 0.98 0.00 0.00 173.24 172.13 1a3k s TYR 247 N -3.07 0.25 0.35 5.02 -0.85 -1.26 -0.07 117.35 117.72 1a3k s TYR 247 Ca 0.25 -0.70 -0.13 0.00 -0.52 0.00 0.00 57.07 55.98 1a3k s TYR 247 Cb -0.02 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.20 1a3k s TYR 247 CO 0.16 -0.48 0.67 -0.08 -1.52 0.00 0.00 175.55 174.30 1a3k s THR 248 N -3.76 0.00 -0.10 -3.49 -1.32 0.33 -4.97 115.64 102.33 1a3k s THR 248 Ca 0.05 -1.19 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1a3k s THR 248 Cb 0.05 -2.67 -0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1a3k s THR 248 CO -0.10 0.00 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.05 1a3k s MET 249 N -2.82 3.09 0.00 7.08 -1.94 -1.26 -0.25 119.30 123.20 1a3k s MET 249 Ca 0.19 -0.83 0.17 0.00 -1.71 0.00 0.00 55.69 53.51 1a3k s MET 249 Cb -0.04 -2.37 0.13 0.00 2.01 0.00 0.00 34.83 34.57 1a3k s MET 249 CO 0.13 0.21 1.02 0.44 -0.01 0.00 0.00 175.02 176.81