#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxj s LYS 133 N 0.00 4.20 0.09 2.12 2.20 -1.26 -5.08 119.74 122.01 3jxj s LYS 133 Ca 0.00 0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.96 3jxj s LYS 133 Cb 0.00 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3jxj s LYS 133 CO 0.00 -0.01 -0.24 0.08 -0.36 0.00 0.00 175.35 174.82 3jxj s VAL 134 N 1.22 2.39 0.22 4.02 1.01 -1.26 -4.84 120.40 123.16 3jxj s VAL 134 Ca 0.20 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 60.71 3jxj s VAL 134 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 3jxj s VAL 134 CO 0.08 0.21 -0.10 -0.36 0.00 0.00 0.00 175.10 174.93 3jxj s PHE 135 N -0.98 1.68 0.40 5.22 0.08 -1.26 -5.09 117.98 118.03 3jxj s PHE 135 Ca 0.14 -0.67 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 3jxj s PHE 135 Cb -0.10 -0.86 0.05 0.00 -0.57 0.00 0.00 43.02 41.55 3jxj s PHE 135 CO 0.05 0.25 0.77 0.54 -0.10 0.00 0.00 175.22 176.74 3jxj s ASN 136 N -3.32 0.14 0.07 1.36 2.20 -1.26 -5.05 114.94 109.08 3jxj s ASN 136 Ca 0.24 -1.25 -0.33 0.00 -0.94 0.00 0.00 52.86 50.58 3jxj s ASN 136 Cb 0.02 0.85 -0.16 0.00 -2.00 0.00 0.00 41.25 39.95 3jxj s ASN 136 CO 0.07 -1.70 1.51 -0.09 -2.94 0.00 0.00 177.10 173.95 3jxj h ARG 137 N 2.01 -0.95 -0.78 3.55 2.43 -1.94 -1.23 114.38 117.47 3jxj h ARG 137 Ca -0.33 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3jxj h ARG 137 Cb 1.25 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.94 3jxj h ARG 137 CO 0.43 -0.63 0.41 -1.00 -1.51 0.00 0.00 179.97 177.66 3jxj h PRO 138 N -0.99 0.66 0.38 0.20 0.13 -1.98 0.34 132.00 130.75 3jxj h PRO 138 Ca -0.07 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3jxj h PRO 138 Cb 0.83 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3jxj h PRO 138 CO -0.01 0.43 -0.18 0.82 -0.23 0.00 0.00 178.00 178.83 3jxj h ILE 139 N 0.68 0.63 -0.70 -3.56 2.04 -1.97 0.93 117.51 115.56 3jxj h ILE 139 Ca 0.39 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.14 3jxj h ILE 139 Cb 0.41 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3jxj h ILE 139 CO -0.28 0.03 0.46 0.25 0.00 0.00 0.00 178.15 178.61 3jxj h LEU 140 N -0.60 0.68 -0.41 1.44 5.85 -0.50 -0.41 115.31 121.36 3jxj h LEU 140 Ca -0.05 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 3jxj h LEU 140 Cb 0.44 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3jxj h LEU 140 CO 0.09 0.46 -0.79 -0.26 -0.34 0.00 0.00 178.44 177.59 3jxj h PHE 141 N 0.79 0.18 -0.23 1.25 -1.00 -0.16 -2.37 116.94 115.39 3jxj h PHE 141 Ca 0.29 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.89 3jxj h PHE 141 Cb 0.15 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3jxj h PHE 141 CO -0.00 0.86 -0.20 0.22 -1.61 0.00 0.00 178.31 177.58 3jxj h ASP 142 N 0.07 0.58 -0.57 2.17 3.58 -0.17 -1.43 116.42 120.65 3jxj h ASP 142 Ca -0.02 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 56.97 3jxj h ASP 142 Cb 1.38 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 3jxj h ASP 142 CO 0.11 0.92 0.38 0.40 -2.88 0.00 0.00 179.24 178.17 3jxj h ILE 143 N 0.25 1.14 0.01 2.25 2.04 -1.07 -1.51 117.51 120.62 3jxj h ILE 143 Ca 0.04 -0.26 -0.24 0.00 1.00 0.00 0.00 64.86 65.40 3jxj h ILE 143 Cb 0.75 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3jxj h ILE 143 CO 0.05 0.14 -0.99 -0.37 0.00 0.00 0.00 178.15 176.98 3jxj h VAL 144 N 0.76 1.38 -0.57 1.67 -1.51 -1.48 -1.61 116.25 114.89 3jxj h VAL 144 Ca 0.21 -2.45 -0.07 0.00 -1.23 0.00 0.00 66.70 63.16 3jxj h VAL 144 Cb -0.08 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 3jxj h VAL 144 CO -0.05 0.73 0.08 0.77 -1.23 0.00 0.00 177.57 177.87 3jxj h SER 145 N 0.25 0.92 -0.10 4.19 4.64 -1.14 -2.37 113.55 119.93 3jxj h SER 145 Ca -0.10 -0.27 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 3jxj h SER 145 Cb 1.64 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3jxj h SER 145 CO 0.18 0.96 -0.26 0.03 -0.87 0.00 0.00 176.83 176.86 3jxj h ARG 146 N 0.85 0.55 -1.36 4.77 3.08 -1.36 -3.47 114.38 117.44 3jxj h ARG 146 Ca 0.17 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3jxj h ARG 146 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3jxj h ARG 146 CO 0.01 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 180.09 3jxj n GLY 147 N -0.31 0.61 3.23 0.04 0.00 -0.68 -4.99 105.19 103.08 3jxj n GLY 147 Ca -0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3jxj n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jxj s SER 148 N -2.66 5.34 0.40 1.61 0.15 -0.74 -4.59 113.70 113.21 3jxj s SER 148 Ca 0.00 -1.45 0.20 0.00 0.70 0.00 0.00 55.95 55.39 3jxj s SER 148 Cb 0.00 -1.87 0.82 0.00 -1.71 0.00 0.00 66.02 63.26 3jxj s SER 148 CO 0.00 -0.42 1.81 1.55 1.20 0.00 0.00 173.24 177.37 3jxj h PRO 149 N 8.21 0.00 0.00 5.44 0.13 -1.86 -3.13 132.00 140.79 3jxj h PRO 149 Ca -0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 3jxj h PRO 149 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3jxj h PRO 149 CO 0.66 0.33 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.19 3jxj h ASP 150 N 0.00 0.00 0.78 1.44 3.32 -1.97 -2.32 116.42 117.67 3jxj h ASP 150 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3jxj h ASP 150 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3jxj h ASP 150 CO 0.04 0.12 -0.17 1.23 -1.72 0.00 0.00 179.24 178.75 3jxj h GLY 151 N 0.37 0.00 1.04 2.75 0.00 -1.94 -3.24 103.07 102.05 3jxj h GLY 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jxj h GLY 151 CO 0.02 0.00 -0.07 1.04 0.00 0.00 0.00 176.54 177.53 3jxj n LEU 152 N -3.40 0.33 -4.77 3.11 4.77 -0.87 -4.90 117.00 111.27 3jxj n LEU 152 Ca -0.00 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 3jxj n LEU 152 Cb 0.36 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3jxj n LEU 152 CO 0.31 0.06 1.15 -1.84 -1.33 0.00 0.00 177.39 175.74 3jxj n GLU 153 N -1.01 2.66 -1.20 3.23 0.28 -1.23 -1.91 120.64 121.47 3jxj n GLU 153 Ca 0.16 0.94 -0.07 0.00 -0.16 0.00 0.00 57.16 58.02 3jxj n GLU 153 Cb 0.25 -2.67 -0.03 0.00 1.43 0.00 0.00 31.44 30.42 3jxj n GLU 153 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3jxj n GLY 154 N 0.76 0.90 0.13 -1.84 0.00 -1.26 -4.92 105.19 98.95 3jxj n GLY 154 Ca 0.03 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3jxj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jxj h LEU 155 N 0.00 0.53 -0.49 0.99 5.85 -1.74 -3.19 115.31 117.26 3jxj h LEU 155 Ca -0.14 -0.91 0.10 0.00 0.84 0.00 0.00 57.88 57.77 3jxj h LEU 155 Cb 0.45 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 3jxj h LEU 155 CO 0.20 1.58 -0.10 0.25 -0.34 0.00 0.00 178.44 180.03 3jxj h LEU 156 N -0.19 -0.41 -1.04 2.25 5.85 -1.91 -1.20 115.31 118.65 3jxj h LEU 156 Ca -0.24 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3jxj h LEU 156 Cb 1.84 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 43.12 3jxj h LEU 156 CO 0.15 -0.15 0.41 0.28 -0.34 0.00 0.00 178.44 178.79 3jxj h SER 157 N 0.02 0.97 -0.14 1.25 0.02 -1.97 -1.68 113.55 112.01 3jxj h SER 157 Ca 0.24 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3jxj h SER 157 Cb 0.37 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3jxj h SER 157 CO -0.49 0.79 0.06 0.15 -1.14 0.00 0.00 176.83 176.21 3jxj h PHE 158 N 1.08 0.21 -0.55 3.45 3.57 -1.31 -2.25 116.94 121.15 3jxj h PHE 158 Ca 0.27 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3jxj h PHE 158 Cb 0.05 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3jxj h PHE 158 CO 0.01 0.28 0.12 -0.07 -2.23 0.00 0.00 178.31 176.42 3jxj h LEU 159 N 0.09 0.80 -0.27 0.59 3.38 -0.88 -1.31 115.31 117.70 3jxj h LEU 159 Ca 0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3jxj h LEU 159 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3jxj h LEU 159 CO -0.00 0.79 -0.15 -0.07 0.09 0.00 0.00 178.44 179.10 3jxj h LEU 160 N 0.82 0.60 -0.02 1.67 4.07 -1.20 -1.59 115.31 119.66 3jxj h LEU 160 Ca 0.18 -0.42 -0.13 0.00 0.08 0.00 0.00 57.88 57.59 3jxj h LEU 160 Cb 0.31 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.90 3jxj h LEU 160 CO 0.00 0.89 -0.51 0.71 -1.08 0.00 0.00 178.44 178.44 3jxj h THR 161 N 0.31 1.44 -0.00 0.22 1.35 -1.27 -3.26 112.91 111.69 3jxj h THR 161 Ca 0.06 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3jxj h THR 161 Cb 0.67 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3jxj h THR 161 CO 0.04 0.58 -0.05 1.41 -0.25 0.00 0.00 175.52 177.25 3jxj n HIS 162 N -4.28 0.00 -3.38 4.73 8.25 -0.50 -4.94 115.22 115.09 3jxj n HIS 162 Ca -0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 3jxj n HIS 162 Cb 0.62 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.69 3jxj n HIS 162 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jxj n LYS 163 N -0.86 -6.54 -4.42 -0.41 5.02 -0.68 -5.01 118.16 105.26 3jxj n LYS 163 Ca 0.18 0.75 -0.24 0.00 -2.02 0.00 0.00 58.31 56.98 3jxj n LYS 163 Cb 0.24 -5.53 -0.09 0.00 -0.02 0.00 0.00 35.03 29.63 3jxj n LYS 163 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3jxj s LYS 164 N -5.69 1.86 0.27 1.97 1.02 -0.69 -5.05 119.74 113.43 3jxj s LYS 164 Ca 0.26 -1.67 0.06 0.00 0.02 0.00 0.00 55.97 54.64 3jxj s LYS 164 Cb -0.11 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 3jxj s LYS 164 CO 0.65 0.34 -0.03 1.03 -0.92 0.00 0.00 175.35 176.42 3jxj s ARG 165 N -3.56 1.50 0.30 1.68 0.52 -1.26 -4.67 118.95 113.47 3jxj s ARG 165 Ca 0.30 -1.77 0.26 0.00 -0.52 0.00 0.00 55.73 54.00 3jxj s ARG 165 Cb -0.05 -1.00 0.83 0.00 0.52 0.00 0.00 34.95 35.25 3jxj s ARG 165 CO 0.16 -0.02 1.75 -0.07 0.02 0.00 0.00 175.30 177.15 3jxj h LEU 166 N 2.31 0.00 -0.53 2.53 3.38 -1.97 -2.84 115.31 118.19 3jxj h LEU 166 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3jxj h LEU 166 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3jxj h LEU 166 CO 0.67 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.55 3jxj n THR 167 N -2.50 0.03 -2.49 0.22 -2.24 -1.26 -4.65 114.28 101.38 3jxj n THR 167 Ca 0.04 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 3jxj n THR 167 Cb 0.38 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3jxj n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jxj s ASP 168 N -1.89 7.02 0.45 3.42 1.01 -1.07 -4.86 116.67 120.75 3jxj s ASP 168 Ca 0.39 2.18 0.24 0.00 0.71 0.00 0.00 52.55 56.07 3jxj s ASP 168 Cb 0.20 -2.61 1.24 0.00 1.01 0.00 0.00 42.92 42.76 3jxj s ASP 168 CO 0.32 -0.31 1.81 -0.33 0.21 0.00 0.00 175.17 176.87 3jxj h GLU 169 N 3.23 0.25 0.00 8.23 4.39 -1.91 0.65 114.58 129.42 3jxj h GLU 169 Ca -0.47 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 3jxj h GLU 169 Cb 1.21 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3jxj h GLU 169 CO 0.65 0.17 -0.05 1.05 -1.16 0.00 0.00 179.01 179.66 3jxj h GLU 170 N 0.26 0.00 -0.44 2.33 4.11 -1.95 -2.01 114.58 116.88 3jxj h GLU 170 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 3jxj h GLU 170 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3jxj h GLU 170 CO -0.18 0.05 0.00 1.19 0.07 0.00 0.00 179.01 180.15 3jxj n PHE 171 N -3.32 0.82 -4.27 2.06 3.72 0.22 -4.01 117.46 112.68 3jxj n PHE 171 Ca -0.01 -0.59 -0.34 0.00 -0.05 0.00 0.00 57.45 56.45 3jxj n PHE 171 Cb 0.22 -0.12 -0.11 0.00 -0.94 0.00 0.00 39.48 38.53 3jxj n PHE 171 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3jxj s ARG 172 N -1.51 3.55 -0.15 -1.08 0.52 -0.76 -4.36 118.95 115.17 3jxj s ARG 172 Ca 0.35 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 3jxj s ARG 172 Cb 0.22 -2.97 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 3jxj s ARG 172 CO 0.18 0.40 2.06 -2.00 0.02 0.00 0.00 175.30 175.97 3jxj s GLU 173 N -0.03 3.51 0.44 3.54 2.12 -0.07 -4.85 118.70 123.35 3jxj s GLU 173 Ca 0.03 2.14 0.12 0.00 0.36 0.00 0.00 54.97 57.63 3jxj s GLU 173 Cb -0.13 -4.27 0.96 0.00 0.26 0.00 0.00 34.13 30.96 3jxj s GLU 173 CO 0.02 -1.67 2.00 -1.35 -0.54 0.00 0.00 175.26 173.72 3jxj h PRO 174 N 13.19 0.13 -0.03 4.30 0.11 -1.89 0.70 132.00 148.51 3jxj h PRO 174 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jxj h PRO 174 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3jxj h PRO 174 CO 0.96 0.23 0.01 0.66 -0.21 0.00 0.00 178.00 179.65 3jxj h SER 175 N 0.12 0.04 0.03 -2.05 4.64 -1.97 -3.36 113.55 111.00 3jxj h SER 175 Ca 0.03 -0.16 -0.38 0.00 -0.47 0.00 0.00 61.79 60.81 3jxj h SER 175 Cb 0.25 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3jxj h SER 175 CO 0.01 0.19 -2.38 0.35 -0.87 0.00 0.00 176.83 174.13 3jxj n THR 176 N -4.99 1.51 -0.09 2.95 -2.24 -1.14 -4.95 114.28 105.33 3jxj n THR 176 Ca -0.07 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3jxj n THR 176 Cb 0.10 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 3jxj n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxj n GLY 177 N 2.12 0.68 3.75 3.38 0.00 0.24 -1.15 105.19 114.21 3jxj n GLY 177 Ca -0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3jxj n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxj s LYS 178 N -0.91 4.22 0.08 1.61 1.02 -1.23 -4.62 119.74 119.91 3jxj s LYS 178 Ca 0.00 2.40 -0.01 0.00 0.02 0.00 0.00 55.97 58.38 3jxj s LYS 178 Cb 0.00 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3jxj s LYS 178 CO 0.00 -0.50 0.11 0.25 -0.92 0.00 0.00 175.35 174.30 3jxj n THR 179 N 2.35 0.00 0.26 2.17 -2.24 -1.26 -0.89 114.28 114.67 3jxj n THR 179 Ca 0.07 -0.11 0.16 0.00 -2.27 0.00 0.00 64.05 61.90 3jxj n THR 179 Cb 0.39 -1.74 0.56 0.00 -2.10 0.00 0.00 70.33 67.44 3jxj n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jxj h LEU 181 N 0.00 0.62 -0.37 0.00 5.85 -1.94 0.20 115.31 119.67 3jxj h LEU 181 Ca 0.00 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3jxj h LEU 181 Cb 0.63 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3jxj h LEU 181 CO 0.00 0.99 0.14 -0.65 -0.34 0.00 0.00 178.44 178.58 3jxj h PRO 182 N 0.26 0.55 -0.51 5.25 0.11 -1.95 -1.76 132.00 133.94 3jxj h PRO 182 Ca 0.03 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.09 3jxj h PRO 182 Cb 0.83 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3jxj h PRO 182 CO 0.06 0.53 0.34 -0.22 -0.21 0.00 0.00 178.00 178.51 3jxj h LYS 183 N 0.44 0.48 -0.34 1.05 1.63 -1.59 0.22 116.57 118.46 3jxj h LYS 183 Ca 0.12 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 3jxj h LYS 183 Cb 0.19 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3jxj h LYS 183 CO -0.01 0.32 0.14 0.00 -3.45 0.00 0.00 179.45 176.44 3jxj h ALA 184 N 1.72 0.44 0.00 5.00 0.00 -0.26 -2.82 119.26 123.33 3jxj h ALA 184 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jxj h ALA 184 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jxj h ALA 184 CO -0.06 0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.16 3jxj h LEU 185 N 0.40 0.00 0.00 0.00 3.38 0.02 -2.87 115.31 116.24 3jxj h LEU 185 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3jxj h LEU 185 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3jxj h LEU 185 CO -0.01 0.00 -0.34 0.18 0.09 0.00 0.00 178.44 178.36 3jxj n LEU 186 N -3.00 0.43 -3.86 1.67 4.77 0.54 -4.66 117.00 112.87 3jxj n LEU 186 Ca 0.02 0.24 -0.30 0.00 -0.03 0.00 0.00 56.01 55.93 3jxj n LEU 186 Cb 0.37 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3jxj n LEU 186 CO 0.29 0.03 -0.30 0.20 -1.33 0.00 0.00 177.39 176.27 3jxj s ASN 187 N -3.39 4.28 -0.02 -1.43 0.01 -1.08 -5.08 114.94 108.24 3jxj s ASN 187 Ca 0.11 -2.14 0.06 0.00 -0.71 0.00 0.00 52.86 50.18 3jxj s ASN 187 Cb 0.17 -1.27 -0.02 0.00 0.41 0.00 0.00 41.25 40.54 3jxj s ASN 187 CO 0.65 -0.36 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.91 3jxj s LEU 188 N 0.94 2.39 -0.96 0.60 1.43 -1.26 -4.59 118.68 117.22 3jxj s LEU 188 Ca 0.12 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 3jxj s LEU 188 Cb -0.20 -1.44 0.20 0.00 0.03 0.00 0.00 46.19 44.78 3jxj s LEU 188 CO -0.12 0.32 1.02 -0.55 0.23 0.00 0.00 176.35 177.25 3jxj s SER 189 N -0.82 6.88 -1.10 2.29 0.15 -1.09 -4.45 113.70 115.55 3jxj s SER 189 Ca 0.11 -2.73 -0.03 0.00 0.70 0.00 0.00 55.95 54.00 3jxj s SER 189 Cb -0.10 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3jxj s SER 189 CO 0.01 -0.68 0.94 0.00 1.20 0.00 0.00 173.24 174.71 3jxj n ALA 190 N 4.67 -2.27 -1.18 5.45 0.00 -1.26 -3.53 120.51 122.39 3jxj n ALA 190 Ca 0.22 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 3jxj n ALA 190 Cb 0.46 -4.36 -0.03 0.00 0.00 0.00 0.00 19.45 15.52 3jxj n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jxj n GLY 191 N -1.19 0.84 2.78 0.00 0.00 -1.26 -5.00 105.19 101.36 3jxj n GLY 191 Ca -0.16 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 3jxj n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jxj s ARG 192 N -2.25 0.26 -0.25 1.61 1.81 -1.23 -5.06 118.95 113.84 3jxj s ARG 192 Ca 0.00 0.16 -0.08 0.00 -1.72 0.00 0.00 55.73 54.09 3jxj s ARG 192 Cb 0.00 -0.92 -0.03 0.00 -0.45 0.00 0.00 34.95 33.55 3jxj s ARG 192 CO 0.00 -0.76 0.08 1.21 -0.68 0.00 0.00 175.30 175.15 3jxj s ASN 193 N 2.37 5.23 0.00 0.23 3.84 -1.26 -2.68 114.94 122.67 3jxj s ASN 193 Ca 0.09 -0.18 0.27 0.00 0.21 0.00 0.00 52.86 53.25 3jxj s ASN 193 Cb -0.15 -1.94 1.16 0.00 -0.55 0.00 0.00 41.25 39.77 3jxj s ASN 193 CO -0.19 -0.03 1.80 0.47 -2.79 0.00 0.00 177.10 176.36 3jxj n ASP 194 N 4.88 1.14 0.13 -4.21 8.00 -1.26 -3.45 116.55 121.78 3jxj n ASP 194 Ca -0.16 -1.44 -0.00 0.00 0.71 0.00 0.00 54.79 53.90 3jxj n ASP 194 Cb 0.51 -0.02 0.11 0.00 -0.02 0.00 0.00 41.12 41.70 3jxj n ASP 194 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3jxj h THR 195 N 1.71 1.28 -0.39 -3.53 1.35 -1.90 -3.38 112.91 108.04 3jxj h THR 195 Ca 0.00 -2.34 -0.01 0.00 -0.55 0.00 0.00 66.41 63.51 3jxj h THR 195 Cb 0.37 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 3jxj h THR 195 CO 0.00 0.63 0.18 0.40 -0.25 0.00 0.00 175.52 176.48 3jxj h ILE 196 N 0.00 1.17 -0.85 6.82 2.04 -1.96 -1.98 117.51 122.75 3jxj h ILE 196 Ca -0.01 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3jxj h ILE 196 Cb 1.27 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3jxj h ILE 196 CO 0.08 0.18 0.56 -0.65 0.00 0.00 0.00 178.15 178.33 3jxj h PRO 197 N 0.49 1.07 0.04 2.37 0.11 -1.84 -2.44 132.00 131.80 3jxj h PRO 197 Ca 0.13 -0.06 -0.26 0.00 0.11 0.00 0.00 66.00 65.92 3jxj h PRO 197 Cb 0.12 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.01 3jxj h PRO 197 CO -0.02 0.71 -1.07 0.97 -0.21 0.00 0.00 178.00 178.38 3jxj h ILE 198 N 1.10 1.36 -0.91 4.15 6.09 -1.76 -2.76 117.51 124.78 3jxj h ILE 198 Ca 0.33 -2.48 0.11 0.00 -1.37 0.00 0.00 64.86 61.45 3jxj h ILE 198 Cb -0.04 2.53 -0.08 0.00 0.47 0.00 0.00 36.82 39.70 3jxj h ILE 198 CO -0.09 0.75 0.54 -0.07 -3.07 0.00 0.00 178.15 176.21 3jxj h LEU 199 N 0.26 0.77 -0.52 2.19 3.38 -0.95 0.33 115.31 120.77 3jxj h LEU 199 Ca -0.12 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3jxj h LEU 199 Cb 1.73 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3jxj h LEU 199 CO 0.19 0.41 -0.72 -0.07 0.09 0.00 0.00 178.44 178.35 3jxj h LEU 200 N 0.86 0.16 -0.36 1.67 3.38 -1.48 -1.35 115.31 118.19 3jxj h LEU 200 Ca 0.45 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 3jxj h LEU 200 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3jxj h LEU 200 CO -0.27 0.82 -0.11 -0.78 0.09 0.00 0.00 178.44 178.20 3jxj h ASP 201 N 0.09 0.71 -0.49 -0.43 -0.00 -0.83 -1.61 116.42 113.87 3jxj h ASP 201 Ca -0.02 -0.37 -0.05 0.00 -0.00 0.00 0.00 57.03 56.59 3jxj h ASP 201 Cb 1.28 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 40.39 3jxj h ASP 201 CO 0.10 0.93 0.11 0.40 -0.00 0.00 0.00 179.24 180.78 3jxj h ILE 202 N 0.50 1.24 -0.85 2.25 2.04 -0.40 -2.39 117.51 119.90 3jxj h ILE 202 Ca 0.09 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3jxj h ILE 202 Cb 0.62 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3jxj h ILE 202 CO 0.04 0.31 0.56 0.00 0.00 0.00 0.00 178.15 179.06 3jxj h ALA 203 N 0.99 1.46 -0.09 1.87 0.00 -1.16 -2.03 119.26 120.30 3jxj h ALA 203 Ca 0.15 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3jxj h ALA 203 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3jxj h ALA 203 CO 0.00 0.47 -0.44 1.49 0.00 0.00 0.00 179.25 180.77 3jxj h GLU 204 N 1.08 0.20 -0.00 0.00 4.81 -0.95 -1.80 114.58 117.92 3jxj h GLU 204 Ca 0.33 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3jxj h GLU 204 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3jxj h GLU 204 CO -0.09 0.61 -0.06 1.63 -0.73 0.00 0.00 179.01 180.37 3jxj n LYS 205 N -4.00 0.40 -0.09 1.92 5.02 -0.79 -3.35 118.16 117.27 3jxj n LYS 205 Ca -0.02 -0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 3jxj n LYS 205 Cb 0.50 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.10 3jxj n LYS 205 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3jxj n THR 206 N -1.25 0.61 -2.88 -0.18 -2.24 -1.07 -5.01 114.28 102.27 3jxj n THR 206 Ca 0.13 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 3jxj n THR 206 Cb 0.27 0.76 0.06 0.00 -2.10 0.00 0.00 70.33 69.32 3jxj n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxj n GLY 207 N 0.38 -0.38 1.15 3.38 0.00 -1.17 -4.97 105.19 103.58 3jxj n GLY 207 Ca 0.08 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 3jxj n GLY 207 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jxj n ASN 208 N -2.65 -0.34 -0.08 1.61 4.05 -0.69 -5.00 115.26 112.17 3jxj n ASN 208 Ca -0.12 -1.99 -0.17 0.00 0.45 0.00 0.00 54.58 52.75 3jxj n ASN 208 Cb 0.60 0.10 -0.13 0.00 1.23 0.00 0.00 39.78 41.59 3jxj n ASN 208 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 3jxj h MET 209 N 0.32 0.01 -0.56 1.20 4.05 -1.88 -2.87 114.93 115.20 3jxj h MET 209 Ca -0.45 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 58.89 3jxj h MET 209 Cb 1.56 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.34 3jxj h MET 209 CO -0.16 1.01 0.13 -0.09 0.23 0.00 0.00 176.91 178.03 3jxj h ARG 210 N -0.96 0.87 -0.46 0.39 2.43 -1.85 -2.53 114.38 112.27 3jxj h ARG 210 Ca -0.13 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.72 3jxj h ARG 210 Cb 1.14 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3jxj h ARG 210 CO -0.06 0.78 -0.26 1.49 -1.51 0.00 0.00 179.97 180.41 3jxj h GLU 211 N 0.83 0.98 -0.50 0.20 4.81 -1.92 -2.90 114.58 116.09 3jxj h GLU 211 Ca 0.18 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3jxj h GLU 211 Cb 0.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3jxj h GLU 211 CO 0.00 1.12 0.02 0.35 -0.73 0.00 0.00 179.01 179.76 3jxj h PHE 212 N 0.83 0.94 -0.31 0.92 -0.00 -1.22 -1.60 116.94 116.50 3jxj h PHE 212 Ca 0.10 -0.16 -0.17 0.00 -0.00 0.00 0.00 57.97 57.74 3jxj h PHE 212 Cb 0.85 -0.25 -0.00 0.00 -0.00 0.00 0.00 35.95 36.55 3jxj h PHE 212 CO 0.06 0.88 -0.47 0.82 -0.00 0.00 0.00 178.31 179.59 3jxj h ILE 213 N 0.73 1.28 -0.36 1.41 2.04 -1.53 -3.18 117.51 117.90 3jxj h ILE 213 Ca 0.14 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.35 3jxj h ILE 213 Cb 0.49 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3jxj h ILE 213 CO 0.02 0.54 0.00 0.59 0.00 0.00 0.00 178.15 179.30 3jxj n ASN 214 N -4.07 2.35 -4.62 1.72 3.02 -1.07 -3.83 115.26 108.76 3jxj n ASN 214 Ca -0.04 -2.10 -0.43 0.00 -0.03 0.00 0.00 54.58 51.98 3jxj n ASN 214 Cb 0.58 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 3jxj n ASN 214 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3jxj s SER 215 N -0.87 6.07 0.23 6.41 0.15 -0.63 -4.95 113.70 120.12 3jxj s SER 215 Ca 0.26 1.83 -0.30 0.00 0.70 0.00 0.00 55.95 58.44 3jxj s SER 215 Cb 0.15 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 3jxj s SER 215 CO 0.15 -1.48 1.00 -2.16 1.20 0.00 0.00 173.24 171.96 3jxj s PRO 216 N 5.23 4.76 0.41 5.44 0.04 -1.26 -4.61 135.00 145.01 3jxj s PRO 216 Ca 0.83 1.59 0.04 0.00 0.04 0.00 0.00 61.00 63.50 3jxj s PRO 216 Cb -0.30 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3jxj s PRO 216 CO 0.34 0.36 0.12 -0.59 0.04 0.00 0.00 177.00 177.27 3jxj s PHE 217 N -0.95 1.80 -0.04 0.56 -0.71 -0.79 -4.78 117.98 113.06 3jxj s PHE 217 Ca 0.43 -1.26 -0.14 0.00 -1.04 0.00 0.00 56.93 54.92 3jxj s PHE 217 Cb -0.28 -1.18 0.03 0.00 -1.21 0.00 0.00 43.02 40.38 3jxj s PHE 217 CO 0.34 -0.26 0.32 -0.98 -1.34 0.00 0.00 175.22 173.30 3jxj s ARG 218 N -3.72 0.61 0.27 1.99 1.70 -0.30 -1.83 118.95 117.67 3jxj s ARG 218 Ca 0.24 -0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.48 3jxj s ARG 218 Cb 0.03 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 3jxj s ARG 218 CO 0.14 -0.15 0.05 -0.40 -1.08 0.00 0.00 175.30 173.85 3jxj n ASP 219 N 1.65 1.94 0.31 -2.89 5.68 -0.55 -4.34 116.55 118.35 3jxj n ASP 219 Ca -0.20 -2.32 0.18 0.00 -0.50 0.00 0.00 54.79 51.96 3jxj n ASP 219 Cb 0.56 0.43 1.03 0.00 -1.14 0.00 0.00 41.12 42.00 3jxj n ASP 219 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3jxj h VAL 220 N 1.29 0.32 0.11 2.12 3.04 -2.01 -3.18 116.25 117.93 3jxj h VAL 220 Ca -0.22 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.12 3jxj h VAL 220 Cb 0.75 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 3jxj h VAL 220 CO 0.36 0.00 -1.88 -1.22 -1.01 0.00 0.00 177.57 173.82 3jxj n TYR 221 N -3.54 1.24 -4.15 3.17 4.01 -1.26 -4.67 117.16 111.95 3jxj n TYR 221 Ca -0.03 0.30 -0.16 0.00 -0.16 0.00 0.00 57.90 57.85 3jxj n TYR 221 Cb 0.09 -1.16 -0.12 0.00 -0.31 0.00 0.00 39.34 37.84 3jxj n TYR 221 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3jxj s TYR 222 N -2.53 0.89 0.27 -0.72 2.02 -1.20 -2.81 117.35 113.27 3jxj s TYR 222 Ca -0.23 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.16 3jxj s TYR 222 Cb 0.06 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 41.05 3jxj s TYR 222 CO 0.74 -0.02 -0.14 -0.98 -1.57 0.00 0.00 175.55 173.59 3jxj s ARG 223 N -1.39 1.88 -0.95 -0.62 1.70 0.50 -1.49 118.95 118.58 3jxj s ARG 223 Ca -0.05 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 53.59 3jxj s ARG 223 Cb -0.09 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 3jxj s ARG 223 CO 0.01 0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.99 3jxj n GLY 224 N -0.63 0.77 3.73 3.88 0.00 -1.06 -1.56 105.19 110.33 3jxj n GLY 224 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3jxj n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jxj s GLN 225 N -3.30 1.46 0.22 1.61 -0.21 -0.76 -3.95 119.66 114.73 3jxj s GLN 225 Ca 0.00 0.84 -0.08 0.00 0.02 0.00 0.00 55.36 56.13 3jxj s GLN 225 Cb 0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.16 3jxj s GLN 225 CO 0.00 -2.10 0.34 0.95 -2.12 0.00 0.00 175.29 172.36 3jxj s THR 226 N -2.96 0.01 0.38 -0.19 -4.23 -1.26 -1.88 115.64 105.51 3jxj s THR 226 Ca 0.63 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3jxj s THR 226 Cb -0.17 -2.24 0.26 0.00 1.34 0.00 0.00 72.50 71.69 3jxj s THR 226 CO 0.56 -0.04 2.03 0.00 -0.54 0.00 0.00 174.62 176.63 3jxj h ALA 227 N 2.41 1.62 -0.54 3.99 0.00 -1.82 -2.51 119.26 122.41 3jxj h ALA 227 Ca -0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3jxj h ALA 227 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3jxj h ALA 227 CO 0.43 0.35 0.27 1.25 0.00 0.00 0.00 179.25 181.55 3jxj h LEU 228 N 0.72 0.70 -0.50 0.00 5.85 -1.95 -0.68 115.31 119.45 3jxj h LEU 228 Ca 0.19 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3jxj h LEU 228 Cb -0.08 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 3jxj h LEU 228 CO -0.04 0.63 0.15 0.45 -0.34 0.00 0.00 178.44 179.28 3jxj h HIS 229 N 0.73 0.25 -0.56 1.25 3.86 -1.86 0.11 115.15 118.93 3jxj h HIS 229 Ca 0.19 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 3jxj h HIS 229 Cb 0.11 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3jxj h HIS 229 CO -0.01 0.06 -0.03 0.82 0.86 0.00 0.00 177.93 179.63 3jxj h ILE 230 N 0.31 1.27 -1.00 2.45 2.04 -1.44 0.22 117.51 121.35 3jxj h ILE 230 Ca 0.25 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.96 3jxj h ILE 230 Cb 0.29 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3jxj h ILE 230 CO -0.28 0.42 0.66 0.00 0.00 0.00 0.00 178.15 178.95 3jxj h ALA 231 N 0.95 1.32 -0.02 1.87 0.00 -0.41 0.56 119.26 123.53 3jxj h ALA 231 Ca 0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3jxj h ALA 231 Cb 0.58 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3jxj h ALA 231 CO 0.03 0.61 -0.58 0.82 0.00 0.00 0.00 179.25 180.14 3jxj h ILE 232 N 1.31 1.42 -0.35 0.00 2.04 -0.61 -2.23 117.51 119.10 3jxj h ILE 232 Ca 0.38 -2.03 0.04 0.00 1.00 0.00 0.00 64.86 64.25 3jxj h ILE 232 Cb -0.08 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 3jxj h ILE 232 CO -0.10 0.59 0.12 -0.08 0.00 0.00 0.00 178.15 178.69 3jxj h GLU 233 N -0.08 0.26 0.00 2.37 4.57 -0.08 -0.81 114.58 120.82 3jxj h GLU 233 Ca -0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3jxj h GLU 233 Cb 1.28 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3jxj h GLU 233 CO 0.11 0.17 0.00 0.54 -1.18 0.00 0.00 179.01 178.66 3jxj n ARG 234 N -5.02 0.32 -2.74 1.92 5.12 0.14 -4.92 116.66 111.49 3jxj n ARG 234 Ca 0.01 0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.91 3jxj n ARG 234 Cb 0.12 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.96 3jxj n ARG 234 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3jxj n ARG 235 N -1.30 -3.10 -3.68 5.56 1.74 -0.31 -5.01 116.66 110.56 3jxj n ARG 235 Ca 0.11 0.37 -0.38 0.00 -0.77 0.00 0.00 57.85 57.18 3jxj n ARG 235 Cb 0.19 -3.98 -0.11 0.00 -1.02 0.00 0.00 32.46 27.54 3jxj n ARG 235 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jxj h LYS 237 N 8.24 0.69 0.13 0.00 3.64 -1.95 -1.73 116.57 125.59 3jxj h LYS 237 Ca -0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3jxj h LYS 237 Cb 1.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3jxj h LYS 237 CO 0.74 0.45 -0.06 1.25 -2.27 0.00 0.00 179.45 179.56 3jxj h HIS 238 N 0.71 -0.16 0.00 1.91 2.76 -1.96 0.17 115.15 118.57 3jxj h HIS 238 Ca 0.24 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 3jxj h HIS 238 Cb 0.03 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3jxj h HIS 238 CO -0.06 -0.05 -0.41 1.88 -1.30 0.00 0.00 177.93 177.99 3jxj h TYR 239 N -0.23 0.00 0.18 5.26 0.05 -1.92 -1.60 116.97 118.70 3jxj h TYR 239 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3jxj h TYR 239 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3jxj h TYR 239 CO -0.05 0.41 -0.09 0.28 -1.05 0.00 0.00 178.16 177.66 3jxj h VAL 240 N 0.00 0.88 -0.80 -2.88 2.07 -0.76 -2.68 116.25 112.08 3jxj h VAL 240 Ca -0.00 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.35 3jxj h VAL 240 Cb 0.81 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 3jxj h VAL 240 CO 0.05 0.07 0.43 -0.33 0.02 0.00 0.00 177.57 177.81 3jxj h GLU 241 N -0.38 0.66 -0.04 1.57 5.08 -0.30 -2.61 114.58 118.56 3jxj h GLU 241 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3jxj h GLU 241 Cb 0.29 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3jxj h GLU 241 CO 0.04 0.44 0.01 1.25 -1.00 0.00 0.00 179.01 179.75 3jxj h LEU 242 N 0.68 0.07 -0.71 1.33 6.46 -1.21 -2.16 115.31 119.77 3jxj h LEU 242 Ca 0.41 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 3jxj h LEU 242 Cb 0.46 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 3jxj h LEU 242 CO -0.29 0.33 0.13 -0.07 -0.62 0.00 0.00 178.44 177.91 3jxj h LEU 243 N -0.19 1.06 -0.44 2.25 3.38 -1.32 -2.19 115.31 117.87 3jxj h LEU 243 Ca 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3jxj h LEU 243 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3jxj h LEU 243 CO 0.00 1.04 0.18 0.58 0.09 0.00 0.00 178.44 180.34 3jxj h VAL 244 N 1.05 1.20 0.00 1.22 2.07 -1.37 -2.18 116.25 118.23 3jxj h VAL 244 Ca 0.21 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3jxj h VAL 244 Cb 0.42 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3jxj h VAL 244 CO 0.01 0.22 -0.21 -0.33 0.02 0.00 0.00 177.57 177.28 3jxj h GLU 245 N 0.56 0.00 -0.73 1.57 5.08 -1.01 -2.41 114.58 117.65 3jxj h GLU 245 Ca 0.15 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.14 3jxj h GLU 245 Cb 0.17 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.20 3jxj h GLU 245 CO -0.01 0.21 0.35 1.63 -1.00 0.00 0.00 179.01 180.18 3jxj n LYS 246 N -3.92 2.21 -1.01 2.33 5.02 -0.86 -4.94 118.16 116.99 3jxj n LYS 246 Ca -0.02 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 3jxj n LYS 246 Cb 0.29 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 3jxj n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jxj n GLY 247 N -1.06 0.48 3.85 0.72 0.00 -0.91 -4.65 105.19 103.62 3jxj n GLY 247 Ca 0.48 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3jxj n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxj s ALA 248 N -2.03 3.58 -0.49 4.61 0.00 -0.85 -4.74 121.76 121.86 3jxj s ALA 248 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 3jxj s ALA 248 Cb 0.00 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.66 3jxj s ALA 248 CO 0.00 0.47 1.22 0.34 0.00 0.00 0.00 175.76 177.79 3jxj s ASP 249 N -1.85 6.51 0.00 0.00 2.15 -1.26 -4.89 116.67 117.33 3jxj s ASP 249 Ca 0.39 0.47 0.27 0.00 0.43 0.00 0.00 52.55 54.12 3jxj s ASP 249 Cb -0.14 -2.55 1.61 0.00 -0.30 0.00 0.00 42.92 41.54 3jxj s ASP 249 CO 0.19 -1.36 1.97 1.33 -0.17 0.00 0.00 175.17 177.14 3jxj n VAL 250 N 6.88 0.00 -1.18 1.11 0.24 -1.26 -3.16 118.33 120.96 3jxj n VAL 250 Ca 0.12 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.51 3jxj n VAL 250 Cb 0.49 -0.54 0.13 0.00 -1.47 0.00 0.00 33.84 32.46 3jxj n VAL 250 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jxj n HIS 251 N -0.98 0.00 -2.12 6.34 8.25 -1.26 -4.19 115.22 121.26 3jxj n HIS 251 Ca 0.20 -0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 56.28 3jxj n HIS 251 Cb 0.09 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 3jxj n HIS 251 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jxj s ALA 252 N -2.69 3.62 -0.34 -1.41 0.00 -1.19 -4.96 121.76 114.79 3jxj s ALA 252 Ca 0.30 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 3jxj s ALA 252 Cb 0.27 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3jxj s ALA 252 CO 0.02 -0.98 0.25 -0.65 0.00 0.00 0.00 175.76 174.40 3jxj s GLN 253 N 2.49 3.51 -0.85 0.00 -0.21 -1.26 -4.26 119.66 119.08 3jxj s GLN 253 Ca 0.67 -0.62 -0.24 0.00 0.02 0.00 0.00 55.36 55.19 3jxj s GLN 253 Cb -0.34 -3.81 0.06 0.00 1.00 0.00 0.00 33.01 29.92 3jxj s GLN 253 CO 0.28 -0.45 1.27 0.00 -2.12 0.00 0.00 175.29 174.27 3jxj s ALA 254 N 1.75 2.87 0.18 6.09 0.00 -0.67 -4.59 121.76 127.39 3jxj s ALA 254 Ca 0.07 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.90 3jxj s ALA 254 Cb -0.17 -4.26 -0.08 0.00 0.00 0.00 0.00 23.12 18.61 3jxj s ALA 254 CO 0.11 -3.28 0.68 1.03 0.00 0.00 0.00 175.76 174.30 3jxj s ARG 255 N 4.81 4.24 1.03 0.00 0.52 -0.60 -4.38 118.95 124.58 3jxj s ARG 255 Ca 0.36 0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 56.26 3jxj s ARG 255 Cb -0.06 -2.99 0.21 0.00 0.52 0.00 0.00 34.95 32.62 3jxj s ARG 255 CO 0.02 0.47 1.11 0.20 0.02 0.00 0.00 175.30 177.12 3jxj s GLY 256 N -1.52 1.57 0.00 -3.53 0.00 -1.26 -0.37 107.32 102.21 3jxj s GLY 256 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3jxj s GLY 256 CO 0.21 0.14 0.00 0.54 0.00 0.00 0.00 173.10 173.99 3jxj n ARG 257 N -4.25 0.00 -3.19 2.90 5.12 -1.12 -4.58 116.66 111.54 3jxj n ARG 257 Ca 0.07 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.73 3jxj n ARG 257 Cb 0.58 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.87 3jxj n ARG 257 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3jxj s PHE 258 N 1.53 3.51 0.49 -1.55 -0.71 -1.26 -5.11 117.98 114.88 3jxj s PHE 258 Ca 0.00 0.53 0.09 0.00 -1.04 0.00 0.00 56.93 56.51 3jxj s PHE 258 Cb 0.00 -2.04 0.04 0.00 -1.21 0.00 0.00 43.02 39.81 3jxj s PHE 258 CO 0.00 0.03 0.64 -0.59 -1.34 0.00 0.00 175.22 173.96 3jxj s PHE 259 N -2.37 2.19 0.43 3.49 -0.00 -1.26 -4.99 117.98 115.47 3jxj s PHE 259 Ca 0.43 -0.56 0.04 0.00 -0.00 0.00 0.00 56.93 56.84 3jxj s PHE 259 Cb -0.10 -2.28 -0.02 0.00 -0.00 0.00 0.00 43.02 40.63 3jxj s PHE 259 CO 0.37 -0.69 0.13 -0.65 -0.00 0.00 0.00 175.22 174.38 3jxj s GLN 260 N -4.46 2.00 0.29 1.99 1.11 -1.26 -5.18 119.66 114.15 3jxj s GLN 260 Ca 0.56 -2.23 0.04 0.00 0.01 0.00 0.00 55.36 53.74 3jxj s GLN 260 Cb -0.07 -0.63 0.04 0.00 -1.01 0.00 0.00 33.01 31.33 3jxj s GLN 260 CO 0.35 -0.52 0.33 -0.35 0.01 0.00 0.00 175.29 175.11 3jxj n PRO 261 N -0.97 0.90 0.09 2.91 -0.04 -1.26 -5.07 135.00 131.56 3jxj n PRO 261 Ca -0.07 -1.66 -0.16 0.00 -0.04 0.00 0.00 63.50 61.57 3jxj n PRO 261 Cb 0.65 -0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.01 3jxj n PRO 261 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3jxj h LYS 262 N 0.00 0.40 -7.10 0.54 -0.00 -2.03 -3.45 116.57 104.93 3jxj h LYS 262 Ca -0.15 -0.53 -0.44 0.00 -0.00 0.00 0.00 60.65 59.53 3jxj h LYS 262 Cb 0.64 0.17 0.22 0.00 -0.00 0.00 0.00 32.23 33.27 3jxj h LYS 262 CO 0.23 1.20 -0.06 -0.25 -0.00 0.00 0.00 179.45 180.57 3jxj n ASP 263 N -3.68 -1.83 -2.67 7.07 8.00 -1.26 -4.58 116.55 117.60 3jxj n ASP 263 Ca -0.09 -0.18 -0.38 0.00 0.71 0.00 0.00 54.79 54.85 3jxj n ASP 263 Cb 0.93 -1.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 3jxj n ASP 263 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3jxj n GLU 264 N -4.89 0.00 -2.80 -1.24 2.13 -1.26 -4.75 120.64 107.83 3jxj n GLU 264 Ca 0.03 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.85 3jxj n GLU 264 Cb 0.54 -0.93 0.01 0.00 0.27 0.00 0.00 31.44 31.33 3jxj n GLU 264 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3jxj s GLY 265 N 3.57 -1.60 0.00 8.31 0.00 -1.26 -4.98 107.32 111.37 3jxj s GLY 265 Ca 0.74 0.84 -0.00 0.00 0.00 0.00 0.00 44.72 46.30 3jxj s GLY 265 CO 0.42 4.18 0.09 0.61 0.00 0.00 0.00 173.10 178.40 3jxj n GLY 266 N 3.43 0.58 0.00 0.20 0.00 -1.26 -3.87 105.19 104.27 3jxj n GLY 266 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3jxj n GLY 266 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3jxj n TYR 267 N 2.05 0.00 -2.71 1.61 9.36 -1.26 -4.95 117.16 121.26 3jxj n TYR 267 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 3jxj n TYR 267 Cb 0.01 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.70 3jxj n TYR 267 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3jxj n PHE 268 N -0.51 -3.78 -2.19 2.98 7.35 -1.25 -4.87 117.46 115.19 3jxj n PHE 268 Ca 0.00 2.01 -0.42 0.00 -0.76 0.00 0.00 57.45 58.27 3jxj n PHE 268 Cb 0.00 -3.60 -0.03 0.00 0.35 0.00 0.00 39.48 36.21 3jxj n PHE 268 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3jxj s TYR 269 N -0.97 3.05 0.00 -5.13 5.04 -1.26 -4.90 117.35 113.18 3jxj s TYR 269 Ca -0.16 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 3jxj s TYR 269 Cb 0.01 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.64 3jxj s TYR 269 CO 0.69 -2.44 0.55 1.97 -1.34 0.00 0.00 175.55 174.98 3jxj n PHE 270 N 4.60 0.00 -0.04 4.97 1.16 -1.26 -4.71 117.46 122.17 3jxj n PHE 270 Ca 0.12 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 3jxj n PHE 270 Cb 0.43 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 3jxj n PHE 270 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3jxj n GLY 271 N -0.15 0.72 4.71 4.97 0.00 -1.26 -3.76 105.19 110.42 3jxj n GLY 271 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jxj n GLY 271 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jxj n GLU 272 N -2.02 0.00 -2.79 1.61 1.02 -1.26 -4.66 120.64 112.54 3jxj n GLU 272 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 3jxj n GLU 272 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 31.44 31.33 3jxj n GLU 272 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3jxj s LEU 273 N 0.00 3.90 0.32 -4.62 1.43 -1.26 -1.68 118.68 116.77 3jxj s LEU 273 Ca 0.00 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 3jxj s LEU 273 Cb 0.00 -4.46 0.59 0.00 0.03 0.00 0.00 46.19 42.35 3jxj s LEU 273 CO 0.00 -0.38 1.94 -0.65 0.23 0.00 0.00 176.35 177.49 3jxj h PRO 274 N 1.76 0.92 -0.33 1.29 0.11 -1.74 0.28 132.00 134.29 3jxj h PRO 274 Ca -0.48 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3jxj h PRO 274 Cb 1.18 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3jxj h PRO 274 CO 0.62 0.61 0.06 1.25 -0.21 0.00 0.00 178.00 180.33 3jxj h LEU 275 N 0.95 0.51 -1.05 2.35 5.85 -1.94 -2.10 115.31 119.88 3jxj h LEU 275 Ca 0.34 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3jxj h LEU 275 Cb 0.16 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3jxj h LEU 275 CO -0.12 0.63 -0.31 0.28 -0.34 0.00 0.00 178.44 178.58 3jxj h SER 276 N 0.37 0.30 -0.14 1.25 0.02 -1.57 -0.26 113.55 113.53 3jxj h SER 276 Ca 0.10 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3jxj h SER 276 Cb 0.33 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3jxj h SER 276 CO 0.00 0.60 0.03 0.25 -1.14 0.00 0.00 176.83 176.57 3jxj h LEU 277 N 0.26 0.21 -0.89 5.07 5.85 -0.39 -2.20 115.31 123.22 3jxj h LEU 277 Ca 0.04 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 3jxj h LEU 277 Cb 0.68 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3jxj h LEU 277 CO 0.05 0.40 -0.17 0.00 -0.34 0.00 0.00 178.44 178.39 3jxj h ALA 278 N 0.82 1.06 -0.59 1.25 0.00 -1.11 -2.51 119.26 118.18 3jxj h ALA 278 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3jxj h ALA 278 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jxj h ALA 278 CO 0.00 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.92 3jxj h ALA 279 N 1.25 0.78 -0.00 0.00 0.00 -0.99 -2.87 119.26 117.43 3jxj h ALA 279 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3jxj h ALA 279 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3jxj h ALA 279 CO 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.82 3jxj n THR 281 N -0.97 1.41 -3.27 0.00 -2.24 -1.02 -5.04 114.28 103.15 3jxj n THR 281 Ca 0.21 -1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 60.38 3jxj n THR 281 Cb 0.16 0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.62 3jxj n THR 281 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jxj n ASN 282 N -0.63 -6.78 -3.38 3.42 4.05 -1.15 -5.00 115.26 105.78 3jxj n ASN 282 Ca 0.09 -0.55 -0.26 0.00 0.45 0.00 0.00 54.58 54.31 3jxj n ASN 282 Cb 0.47 -4.84 -0.09 0.00 1.23 0.00 0.00 39.78 36.55 3jxj n ASN 282 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3jxj n GLN 283 N -2.85 1.23 -0.04 1.20 6.02 -1.10 -4.98 117.38 116.87 3jxj n GLN 283 Ca -0.06 -3.76 0.01 0.00 -0.01 0.00 0.00 57.00 53.18 3jxj n GLN 283 Cb 0.58 -1.72 0.33 0.00 1.02 0.00 0.00 30.24 30.45 3jxj n GLN 283 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3jxj h PRO 284 N 4.55 0.61 -0.39 -1.09 0.13 -1.95 -2.20 132.00 131.66 3jxj h PRO 284 Ca 0.15 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 3jxj h PRO 284 Cb 0.81 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 3jxj h PRO 284 CO 0.58 0.50 -0.04 0.45 -0.23 0.00 0.00 178.00 179.26 3jxj h HIS 285 N 0.61 0.69 -0.35 1.56 3.86 -1.98 0.42 115.15 119.95 3jxj h HIS 285 Ca 0.15 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 59.11 3jxj h HIS 285 Cb 0.12 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3jxj h HIS 285 CO 0.01 0.68 -0.40 0.82 0.86 0.00 0.00 177.93 179.89 3jxj h ILE 286 N 0.61 1.28 -0.58 2.45 2.04 -1.83 -0.03 117.51 121.44 3jxj h ILE 286 Ca 0.12 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 3jxj h ILE 286 Cb 0.44 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3jxj h ILE 286 CO 0.02 0.52 0.29 0.58 0.00 0.00 0.00 178.15 179.57 3jxj h VAL 287 N 0.70 1.20 -0.45 1.67 2.07 -0.86 0.30 116.25 120.90 3jxj h VAL 287 Ca 0.05 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3jxj h VAL 287 Cb 1.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3jxj h VAL 287 CO 0.10 0.23 0.26 0.45 0.02 0.00 0.00 177.57 178.63 3jxj h HIS 288 N 0.79 0.60 0.33 1.57 3.86 -0.06 -2.16 115.15 120.09 3jxj h HIS 288 Ca 0.20 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3jxj h HIS 288 Cb 0.10 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.38 3jxj h HIS 288 CO -0.00 0.44 -0.16 -0.92 0.86 0.00 0.00 177.93 178.15 3jxj h TYR 289 N 0.59 -0.41 -0.53 2.45 3.20 -0.56 0.52 116.97 122.22 3jxj h TYR 289 Ca 0.16 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.17 3jxj h TYR 289 Cb 0.02 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3jxj h TYR 289 CO -0.03 -0.14 0.39 -0.07 -1.64 0.00 0.00 178.16 176.68 3jxj h LEU 290 N -0.63 0.00 0.03 2.82 3.38 -0.36 0.20 115.31 120.75 3jxj h LEU 290 Ca -0.05 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 3jxj h LEU 290 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3jxj h LEU 290 CO 0.07 0.00 -1.91 0.35 0.09 0.00 0.00 178.44 177.04 3jxj n THR 291 N -4.30 1.62 0.83 0.22 -2.24 -0.82 0.10 114.28 109.69 3jxj n THR 291 Ca 0.10 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3jxj n THR 291 Cb 0.62 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 3jxj n THR 291 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jxj n GLU 292 N -3.12 1.05 -1.17 -0.78 1.02 0.16 -4.68 120.64 113.13 3jxj n GLU 292 Ca -0.24 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.57 3jxj n GLU 292 Cb 1.06 -1.35 0.12 0.00 -0.02 0.00 0.00 31.44 31.25 3jxj n GLU 292 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jxj s ASN 293 N -2.73 3.77 0.09 1.62 2.20 0.64 -4.96 114.94 115.57 3jxj s ASN 293 Ca 0.06 2.27 0.05 0.00 -0.94 0.00 0.00 52.86 54.30 3jxj s ASN 293 Cb 0.14 -2.58 -0.23 0.00 -2.00 0.00 0.00 41.25 36.58 3jxj s ASN 293 CO 0.74 -2.54 1.19 1.23 -2.94 0.00 0.00 177.10 174.77 3jxj h GLY 294 N -0.90 0.08 0.17 0.45 0.00 -1.96 -3.40 103.07 97.51 3jxj h GLY 294 Ca -0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3jxj h GLY 294 CO 0.47 0.17 -0.08 0.84 0.00 0.00 0.00 176.54 177.94 3jxj h HIS 295 N 0.02 -0.21 -2.41 5.60 -0.00 -1.93 -3.47 115.15 112.75 3jxj h HIS 295 Ca -0.07 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.24 3jxj h HIS 295 Cb 1.84 0.07 -0.25 0.00 -0.00 0.00 0.00 27.41 29.07 3jxj h HIS 295 CO 0.02 -0.13 -0.27 0.21 -0.00 0.00 0.00 177.93 177.76 3jxj s LYS 296 N -2.27 0.43 0.17 5.26 2.36 -1.26 -5.14 119.74 119.29 3jxj s LYS 296 Ca -0.03 1.05 0.03 0.00 -2.55 0.00 0.00 55.97 54.48 3jxj s LYS 296 Cb 0.00 0.29 -0.04 0.00 -1.05 0.00 0.00 37.83 37.04 3jxj s LYS 296 CO 0.10 -0.21 0.26 -0.65 1.55 0.00 0.00 175.35 176.40 3jxj s GLN 297 N 2.21 3.32 -0.37 4.03 -0.21 -1.26 -4.87 119.66 122.50 3jxj s GLN 297 Ca -0.05 -0.68 -0.22 0.00 0.02 0.00 0.00 55.36 54.43 3jxj s GLN 297 Cb -0.10 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 31.03 3jxj s GLN 297 CO -0.15 0.50 0.70 0.00 -2.12 0.00 0.00 175.29 174.22 3jxj s ALA 298 N -1.78 3.42 -0.01 6.09 0.00 0.28 -4.99 121.76 124.77 3jxj s ALA 298 Ca 0.34 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 3jxj s ALA 298 Cb -0.11 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3jxj s ALA 298 CO 0.27 -1.47 1.95 0.34 0.00 0.00 0.00 175.76 176.86 3jxj s ASP 299 N 1.85 6.35 0.41 0.00 2.15 -1.26 -4.65 116.67 121.52 3jxj s ASP 299 Ca 0.27 2.50 0.19 0.00 0.43 0.00 0.00 52.55 55.94 3jxj s ASP 299 Cb -0.14 -2.53 0.86 0.00 -0.30 0.00 0.00 42.92 40.82 3jxj s ASP 299 CO 0.16 -1.16 1.83 -0.07 -0.17 0.00 0.00 175.17 175.77 3jxj h LEU 300 N 11.16 0.00 0.00 -1.34 3.38 -1.99 -2.90 115.31 123.62 3jxj h LEU 300 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3jxj h LEU 300 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3jxj h LEU 300 CO 0.95 0.32 0.00 0.54 0.09 0.00 0.00 178.44 180.33 3jxj n ARG 301 N -3.68 0.42 -2.18 1.13 1.74 -1.26 -4.52 116.66 108.31 3jxj n ARG 301 Ca -0.01 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 3jxj n ARG 301 Cb 0.42 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 3jxj n ARG 301 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3jxj s ARG 302 N -2.52 4.34 0.01 5.56 6.06 -1.10 -4.95 118.95 126.36 3jxj s ARG 302 Ca 0.26 2.08 0.04 0.00 -2.50 0.00 0.00 55.73 55.61 3jxj s ARG 302 Cb 0.18 -3.22 -0.03 0.00 0.06 0.00 0.00 34.95 31.93 3jxj s ARG 302 CO 0.39 -0.37 -0.08 -0.65 -2.50 0.00 0.00 175.30 172.10 3jxj s GLN 303 N 0.58 2.50 0.00 5.12 -0.21 -1.26 -4.37 119.66 122.02 3jxj s GLN 303 Ca 0.61 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.24 3jxj s GLN 303 Cb -0.37 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.17 3jxj s GLN 303 CO 0.34 0.59 0.00 -0.40 -2.12 0.00 0.00 175.29 173.70 3jxj n ASP 304 N 1.52 0.00 0.23 5.90 5.75 -0.72 -4.85 116.55 124.39 3jxj n ASP 304 Ca -0.15 -0.87 0.06 0.00 -0.01 0.00 0.00 54.79 53.82 3jxj n ASP 304 Cb 0.52 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.15 3jxj n ASP 304 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3jxj h SER 305 N 0.00 0.00 1.26 -1.12 4.64 -1.90 -0.58 113.55 115.86 3jxj h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jxj h SER 305 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jxj h SER 305 CO 0.00 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 3jxj n ARG 306 N -4.24 0.18 -0.47 4.77 1.74 -1.26 -4.92 116.66 112.46 3jxj n ARG 306 Ca -0.02 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3jxj n ARG 306 Cb 0.24 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3jxj n ARG 306 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jxj n GLY 307 N 1.22 0.76 3.66 -0.13 0.00 -0.23 -2.55 105.19 107.93 3jxj n GLY 307 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3jxj n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jxj s ASN 308 N -2.05 6.76 0.99 1.61 0.01 -1.26 -4.00 114.94 116.99 3jxj s ASN 308 Ca 0.00 0.92 -0.16 0.00 -0.71 0.00 0.00 52.86 52.91 3jxj s ASN 308 Cb 0.00 -2.38 0.21 0.00 0.41 0.00 0.00 41.25 39.50 3jxj s ASN 308 CO 0.00 -0.31 1.32 0.42 -1.51 0.00 0.00 177.10 177.02 3jxj s THR 309 N 1.99 1.97 0.39 1.60 -4.23 -1.26 -1.76 115.64 114.35 3jxj s THR 309 Ca 0.31 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.91 3jxj s THR 309 Cb -0.16 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.01 3jxj s THR 309 CO 0.11 0.00 1.99 1.62 -0.54 0.00 0.00 174.62 177.80 3jxj h VAL 310 N -1.75 1.01 -0.45 2.29 3.04 -1.79 -1.28 116.25 117.32 3jxj h VAL 310 Ca -0.44 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.01 3jxj h VAL 310 Cb 1.23 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 3jxj h VAL 310 CO 0.36 0.11 0.16 -0.07 -1.01 0.00 0.00 177.57 177.12 3jxj h LEU 311 N 0.61 0.63 -0.98 3.16 3.38 -1.93 -1.59 115.31 118.60 3jxj h LEU 311 Ca 0.26 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jxj h LEU 311 Cb 0.25 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3jxj h LEU 311 CO -0.08 0.65 0.63 0.45 0.09 0.00 0.00 178.44 180.19 3jxj h HIS 312 N 0.58 1.24 -0.67 1.13 3.86 -1.62 -1.93 115.15 117.73 3jxj h HIS 312 Ca 0.15 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3jxj h HIS 312 Cb 0.23 -0.42 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3jxj h HIS 312 CO 0.01 0.79 0.31 0.00 0.86 0.00 0.00 177.93 179.90 3jxj h ALA 313 N 1.35 0.87 -0.39 2.45 0.00 -0.98 -0.58 119.26 121.97 3jxj h ALA 313 Ca 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3jxj h ALA 313 Cb -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3jxj h ALA 313 CO -0.07 0.44 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 3jxj h LEU 314 N 0.94 0.51 -0.42 0.00 3.38 -0.57 -0.33 115.31 118.82 3jxj h LEU 314 Ca 0.23 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3jxj h LEU 314 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3jxj h LEU 314 CO -0.03 0.48 -0.45 0.58 0.09 0.00 0.00 178.44 179.11 3jxj h VAL 315 N 0.56 1.28 -0.53 1.22 2.07 -1.04 -2.41 116.25 117.40 3jxj h VAL 315 Ca 0.14 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.04 3jxj h VAL 315 Cb 0.14 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3jxj h VAL 315 CO -0.01 0.54 0.31 0.00 0.02 0.00 0.00 177.57 178.42 3jxj h ALA 316 N 0.82 0.68 0.00 1.67 0.00 0.53 -2.18 119.26 120.78 3jxj h ALA 316 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jxj h ALA 316 Cb 1.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3jxj h ALA 316 CO 0.10 0.01 -0.01 -0.84 0.00 0.00 0.00 179.25 178.52 3jxj h ILE 317 N 0.62 0.00 -1.90 0.00 3.07 -1.36 -3.45 117.51 114.49 3jxj h ILE 317 Ca 0.21 -0.93 -0.54 0.00 1.55 0.00 0.00 64.86 65.15 3jxj h ILE 317 Cb 0.03 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 3jxj h ILE 317 CO -0.10 0.00 1.53 0.00 -1.05 0.00 0.00 178.15 178.53 3jxj s ALA 318 N -3.20 2.33 0.76 0.16 0.00 -0.82 -4.96 121.76 116.03 3jxj s ALA 318 Ca 0.07 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.44 3jxj s ALA 318 Cb 0.06 -4.17 0.13 0.00 0.00 0.00 0.00 23.12 19.14 3jxj s ALA 318 CO 0.66 -3.41 1.05 0.16 0.00 0.00 0.00 175.76 174.22 3jxj s ASP 319 N 9.56 4.16 -0.95 0.00 1.47 -1.26 -4.89 116.67 124.77 3jxj s ASP 319 Ca 0.98 -0.18 -0.00 0.00 1.18 0.00 0.00 52.55 54.52 3jxj s ASP 319 Cb -0.26 -0.16 0.32 0.00 -0.34 0.00 0.00 42.92 42.48 3jxj s ASP 319 CO 0.31 -2.00 1.60 0.59 0.68 0.00 0.00 175.17 176.36 3jxj n ASN 320 N -3.01 6.65 -4.22 2.11 3.02 -1.26 -4.48 115.26 114.07 3jxj n ASN 320 Ca 0.14 -3.64 -0.24 0.00 -0.03 0.00 0.00 54.58 50.81 3jxj n ASN 320 Cb 0.60 -1.07 -0.14 0.00 -0.61 0.00 0.00 39.78 38.56 3jxj n ASN 320 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3jxj s THR 321 N -4.08 1.53 0.38 3.41 -4.23 -1.26 -5.06 115.64 106.32 3jxj s THR 321 Ca 0.40 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3jxj s THR 321 Cb 0.18 -1.33 0.25 0.00 1.34 0.00 0.00 72.50 72.94 3jxj s THR 321 CO -0.09 0.19 2.02 0.08 -0.54 0.00 0.00 174.62 176.27 3jxj h ARG 322 N 4.98 0.65 0.00 3.99 -0.00 -1.98 -0.78 114.38 121.24 3jxj h ARG 322 Ca -0.41 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.98 59.38 3jxj h ARG 322 Cb 1.16 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 30.97 3jxj h ARG 322 CO 0.44 0.46 -0.66 0.93 -0.00 0.00 0.00 179.97 181.14 3jxj h GLU 323 N 0.66 0.00 0.03 0.08 4.39 -1.98 0.19 114.58 117.96 3jxj h GLU 323 Ca 0.17 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 3jxj h GLU 323 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3jxj h GLU 323 CO -0.03 0.66 -0.01 -0.97 -1.16 0.00 0.00 179.01 177.50 3jxj h ASN 324 N 0.00 -0.03 0.02 1.42 -0.73 -1.69 -3.20 115.58 111.37 3jxj h ASN 324 Ca -0.01 -0.48 -0.00 0.00 1.87 0.00 0.00 56.30 57.69 3jxj h ASN 324 Cb 1.32 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.91 3jxj h ASN 324 CO 0.09 0.47 -0.01 0.74 -0.37 0.00 0.00 177.43 178.35 3jxj h THR 325 N -0.54 0.55 0.59 -3.57 2.02 -1.03 -0.96 112.91 109.97 3jxj h THR 325 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3jxj h THR 325 Cb 0.50 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3jxj h THR 325 CO 0.01 0.01 -0.28 0.50 0.37 0.00 0.00 175.52 176.12 3jxj h LYS 326 N 0.00 -0.76 0.02 6.66 1.63 -0.61 -2.47 116.57 121.03 3jxj h LYS 326 Ca -0.00 0.05 -0.22 0.00 -0.85 0.00 0.00 60.65 59.63 3jxj h LYS 326 Cb 0.02 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3jxj h LYS 326 CO 0.00 -0.46 -1.08 0.27 -3.45 0.00 0.00 179.45 174.73 3jxj h PHE 327 N -0.93 0.06 -0.18 1.91 -0.00 -1.48 -2.09 116.94 114.22 3jxj h PHE 327 Ca -0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.97 57.84 3jxj h PHE 327 Cb 0.65 -0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.59 3jxj h PHE 327 CO -0.01 1.04 0.09 0.28 -0.00 0.00 0.00 178.31 179.71 3jxj h VAL 328 N 0.01 1.13 -0.38 0.88 2.07 -1.28 0.63 116.25 119.31 3jxj h VAL 328 Ca -0.04 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3jxj h VAL 328 Cb 1.81 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3jxj h VAL 328 CO 0.14 0.13 0.22 0.74 0.02 0.00 0.00 177.57 178.81 3jxj h THR 329 N 0.17 1.14 -0.71 2.57 2.02 -1.46 -0.85 112.91 115.79 3jxj h THR 329 Ca 0.06 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3jxj h THR 329 Cb 0.12 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3jxj h THR 329 CO -0.01 0.14 0.37 0.50 0.37 0.00 0.00 175.52 176.89 3jxj h LYS 330 N 0.49 1.00 -0.06 6.66 3.64 -1.20 -2.31 116.57 124.80 3jxj h LYS 330 Ca 0.13 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3jxj h LYS 330 Cb 0.04 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3jxj h LYS 330 CO -0.02 0.77 -0.76 1.98 -2.27 0.00 0.00 179.45 179.15 3jxj h MET 331 N 0.98 0.37 -0.16 1.90 4.05 -0.79 -2.29 114.93 119.00 3jxj h MET 331 Ca 0.25 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3jxj h MET 331 Cb 0.08 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3jxj h MET 331 CO -0.04 0.97 0.09 -0.92 0.23 0.00 0.00 176.91 177.24 3jxj h TYR 332 N 0.25 0.22 -0.44 1.39 5.03 -0.96 -2.41 116.97 120.04 3jxj h TYR 332 Ca -0.04 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.15 3jxj h TYR 332 Cb 1.34 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.54 3jxj h TYR 332 CO 0.04 0.23 -0.17 -0.44 -1.32 0.00 0.00 178.16 176.50 3jxj h ASP 333 N 0.15 0.91 -0.95 -2.11 3.32 -1.43 -2.70 116.42 113.62 3jxj h ASP 333 Ca 0.06 -0.39 0.08 0.00 0.02 0.00 0.00 57.03 56.80 3jxj h ASP 333 Cb 0.08 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3jxj h ASP 333 CO -0.01 1.09 0.61 0.25 -1.72 0.00 0.00 179.24 179.47 3jxj h LEU 334 N 0.73 0.93 -0.10 1.55 6.46 -1.39 -2.07 115.31 121.42 3jxj h LEU 334 Ca 0.10 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.83 3jxj h LEU 334 Cb 0.73 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3jxj h LEU 334 CO 0.06 0.58 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.26 3jxj h LEU 335 N 1.05 0.28 -0.27 2.25 3.38 -1.23 -1.34 115.31 119.42 3jxj h LEU 335 Ca 0.42 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3jxj h LEU 335 Cb 0.26 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3jxj h LEU 335 CO -0.17 0.73 0.01 -0.07 0.09 0.00 0.00 178.44 179.03 3jxj h LEU 336 N -0.17 -0.08 -0.98 1.67 3.38 -1.40 0.53 115.31 118.26 3jxj h LEU 336 Ca 0.01 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3jxj h LEU 336 Cb 0.66 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3jxj h LEU 336 CO 0.03 -0.01 0.62 0.40 0.09 0.00 0.00 178.44 179.58 3jxj h ILE 337 N 0.10 1.03 -0.28 1.22 2.04 -1.39 0.28 117.51 120.50 3jxj h ILE 337 Ca 0.13 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 3jxj h ILE 337 Cb 0.16 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3jxj h ILE 337 CO -0.21 0.20 -0.40 0.50 0.00 0.00 0.00 178.15 178.25 3jxj h LYS 338 N 1.09 0.77 -0.05 2.37 3.11 -0.33 -3.22 116.57 120.31 3jxj h LYS 338 Ca 0.44 -0.45 -0.17 0.00 -2.81 0.00 0.00 60.65 57.66 3jxj h LYS 338 Cb 0.27 0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.55 3jxj h LYS 338 CO -0.20 1.08 -0.64 0.00 -2.81 0.00 0.00 179.45 176.87 3jxj h ALA 340 N 0.41 1.73 0.58 0.00 0.00 -0.55 -0.34 119.26 121.09 3jxj h ALA 340 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jxj h ALA 340 Cb 1.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3jxj h ALA 340 CO 0.13 -0.08 -0.28 -0.22 0.00 0.00 0.00 179.25 178.80 3jxj h LYS 341 N 0.74 -0.75 0.28 0.00 3.64 -1.56 -3.18 116.57 115.75 3jxj h LYS 341 Ca 0.55 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.97 3jxj h LYS 341 Cb 0.89 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3jxj h LYS 341 CO -0.34 -0.50 -0.14 -0.07 -2.27 0.00 0.00 179.45 176.14 3jxj h LEU 342 N -0.88 -0.32 -7.26 5.20 3.38 -1.27 -3.32 115.31 110.84 3jxj h LEU 342 Ca -0.08 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 57.15 3jxj h LEU 342 Cb 0.60 0.08 -0.39 0.00 0.09 0.00 0.00 40.66 41.04 3jxj h LEU 342 CO 0.13 -0.12 -0.39 -0.36 0.09 0.00 0.00 178.44 177.79 3jxj s PHE 343 N -5.59 3.62 -0.10 1.13 0.08 -0.20 -4.94 117.98 111.99 3jxj s PHE 343 Ca -0.15 -3.14 0.30 0.00 0.12 0.00 0.00 56.93 54.06 3jxj s PHE 343 Cb 0.04 -2.97 1.15 0.00 -0.57 0.00 0.00 43.02 40.67 3jxj s PHE 343 CO 0.62 -0.67 1.88 -1.00 -0.10 0.00 0.00 175.22 175.95 3jxj h PRO 344 N 5.93 0.00 -0.59 0.24 0.13 -1.66 -3.09 132.00 132.96 3jxj h PRO 344 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3jxj h PRO 344 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3jxj h PRO 344 CO 0.76 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 3jxj n ASP 345 N -2.92 3.18 -3.73 1.44 8.00 -1.26 -4.81 116.55 116.45 3jxj n ASP 345 Ca 0.01 -2.27 -0.12 0.00 0.71 0.00 0.00 54.79 53.12 3jxj n ASP 345 Cb 0.33 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.84 3jxj n ASP 345 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jxj s THR 346 N -1.71 -0.04 -0.16 -3.53 -1.32 -1.17 -5.15 115.64 102.56 3jxj s THR 346 Ca 0.33 0.14 -0.13 0.00 -1.21 0.00 0.00 61.69 60.82 3jxj s THR 346 Cb 0.21 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.77 3jxj s THR 346 CO 0.16 0.06 0.26 0.21 -2.21 0.00 0.00 174.62 173.09 3jxj s ASN 347 N 1.24 6.39 0.00 8.08 3.04 -1.26 -4.83 114.94 127.61 3jxj s ASN 347 Ca -0.09 0.46 -0.25 0.00 0.04 0.00 0.00 52.86 53.02 3jxj s ASN 347 Cb -0.10 -2.16 -0.17 0.00 -1.54 0.00 0.00 41.25 37.28 3jxj s ASN 347 CO -0.08 0.13 1.21 -0.07 -3.04 0.00 0.00 177.10 175.25 3jxj h LEU 348 N 6.57 -0.31 0.00 3.21 3.38 -1.96 -2.93 115.31 123.27 3jxj h LEU 348 Ca -0.42 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3jxj h LEU 348 Cb 1.16 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3jxj h LEU 348 CO 0.75 0.07 0.00 -1.84 0.09 0.00 0.00 178.44 177.50 3jxj n GLU 349 N -5.10 0.37 0.07 1.13 0.28 -1.26 -1.33 120.64 114.80 3jxj n GLU 349 Ca -0.09 0.04 -0.02 0.00 -0.16 0.00 0.00 57.16 56.93 3jxj n GLU 349 Cb 0.26 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 3jxj n GLU 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3jxj h ALA 350 N 2.80 0.61 -2.55 -1.84 0.00 -1.94 -3.41 119.26 112.93 3jxj h ALA 350 Ca 0.00 -0.80 -0.53 0.00 0.00 0.00 0.00 54.91 53.58 3jxj h ALA 350 Cb 0.03 0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.93 3jxj h ALA 350 CO 0.00 0.97 0.68 -0.51 0.00 0.00 0.00 179.25 180.40 3jxj s LEU 351 N -6.26 4.37 0.20 0.00 1.43 -0.44 -5.02 118.68 112.95 3jxj s LEU 351 Ca 0.00 2.27 0.04 0.00 -1.03 0.00 0.00 54.13 55.41 3jxj s LEU 351 Cb 0.08 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3jxj s LEU 351 CO 0.79 -0.60 0.31 -0.76 0.23 0.00 0.00 176.35 176.32 3jxj s LEU 352 N 0.98 4.29 0.00 1.79 1.43 -1.26 -4.66 118.68 121.25 3jxj s LEU 352 Ca 0.63 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3jxj s LEU 352 Cb -0.35 -2.85 0.12 0.00 0.03 0.00 0.00 46.19 43.14 3jxj s LEU 352 CO 0.31 -0.01 0.85 -0.46 0.23 0.00 0.00 176.35 177.27 3jxj n ASN 353 N -0.96 1.13 0.25 2.29 6.94 -0.63 -4.86 115.26 119.42 3jxj n ASN 353 Ca -0.08 -1.96 0.16 0.00 -0.02 0.00 0.00 54.58 52.69 3jxj n ASN 353 Cb 0.56 -0.55 0.66 0.00 -2.36 0.00 0.00 39.78 38.08 3jxj n ASN 353 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3jxj h ASN 354 N -0.52 0.00 1.17 0.53 -0.26 -1.75 -0.79 115.58 113.96 3jxj h ASN 354 Ca -0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.43 3jxj h ASN 354 Cb 1.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.29 3jxj h ASN 354 CO 0.30 0.00 -0.15 0.44 -1.06 0.00 0.00 177.43 176.96 3jxj h ASP 355 N 0.00 0.00 0.00 5.81 5.19 -1.95 -3.47 116.42 122.00 3jxj h ASP 355 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3jxj h ASP 355 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3jxj h ASP 355 CO 0.00 0.15 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 3jxj n GLY 356 N 0.36 0.91 3.67 2.75 0.00 -0.30 -5.10 105.19 107.48 3jxj n GLY 356 Ca 0.01 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3jxj n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jxj s LEU 357 N 0.00 3.30 0.43 0.99 1.43 -1.26 -4.81 118.68 118.77 3jxj s LEU 357 Ca 0.00 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3jxj s LEU 357 Cb 0.00 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3jxj s LEU 357 CO 0.00 0.03 0.57 -0.94 0.23 0.00 0.00 176.35 176.24 3jxj s SER 358 N -3.41 5.56 0.33 2.29 1.04 -1.26 -1.60 113.70 116.65 3jxj s SER 358 Ca 0.30 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.31 3jxj s SER 358 Cb -0.08 -0.57 0.73 0.00 0.10 0.00 0.00 66.02 66.20 3jxj s SER 358 CO 0.20 -0.80 1.87 -0.65 0.98 0.00 0.00 173.24 174.84 3jxj h PRO 359 N 0.63 0.77 -0.04 4.02 0.11 -1.83 0.94 132.00 136.61 3jxj h PRO 359 Ca -0.39 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3jxj h PRO 359 Cb 1.28 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jxj h PRO 359 CO 0.46 0.51 -0.03 1.25 -0.21 0.00 0.00 178.00 179.98 3jxj h LEU 360 N 0.80 0.11 -0.70 2.35 5.85 -1.95 -2.30 115.31 119.47 3jxj h LEU 360 Ca 0.45 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3jxj h LEU 360 Cb 0.59 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3jxj h LEU 360 CO -0.21 0.53 -0.02 0.24 -0.34 0.00 0.00 178.44 178.64 3jxj h MET 361 N -0.32 0.98 -0.55 1.25 2.86 -1.86 -2.14 114.93 115.15 3jxj h MET 361 Ca 0.01 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3jxj h MET 361 Cb 0.50 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3jxj h MET 361 CO 0.01 0.98 0.18 1.98 1.06 0.00 0.00 176.91 181.12 3jxj h MET 362 N 0.90 0.82 -0.60 1.72 1.85 -0.85 -0.69 114.93 118.08 3jxj h MET 362 Ca 0.16 -0.14 -0.05 0.00 -0.61 0.00 0.00 59.70 59.06 3jxj h MET 362 Cb 0.55 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 3jxj h MET 362 CO 0.03 0.70 0.16 0.00 -0.40 0.00 0.00 176.91 177.40 3jxj h ALA 363 N 1.40 1.17 -0.11 0.39 0.00 -0.97 -1.17 119.26 119.98 3jxj h ALA 363 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3jxj h ALA 363 Cb 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jxj h ALA 363 CO -0.01 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.82 3jxj h ALA 364 N 1.30 0.14 -0.05 0.00 0.00 -0.70 0.23 119.26 120.18 3jxj h ALA 364 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jxj h ALA 364 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3jxj h ALA 364 CO -0.00 -0.20 -0.01 -0.22 0.00 0.00 0.00 179.25 178.82 3jxj h LYS 365 N -0.07 0.08 0.00 0.00 3.64 -0.97 -2.94 116.57 116.32 3jxj h LYS 365 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3jxj h LYS 365 Cb 0.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3jxj h LYS 365 CO 0.00 0.40 0.00 0.25 -2.27 0.00 0.00 179.45 177.84 3jxj n THR 366 N -4.86 0.17 -1.48 1.00 -2.24 -0.46 -4.93 114.28 101.48 3jxj n THR 366 Ca -0.07 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3jxj n THR 366 Cb 0.20 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3jxj n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxj n GLY 367 N 1.32 0.89 3.46 3.38 0.00 -0.45 -5.00 105.19 108.80 3jxj n GLY 367 Ca 0.06 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3jxj n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxj s LYS 368 N -3.18 3.44 -0.01 1.61 -0.14 0.68 -4.89 119.74 117.25 3jxj s LYS 368 Ca 0.00 -1.42 -0.25 0.00 -1.36 0.00 0.00 55.97 52.93 3jxj s LYS 368 Cb 0.00 -4.73 -0.19 0.00 -1.68 0.00 0.00 37.83 31.23 3jxj s LYS 368 CO 0.00 -1.82 1.33 0.82 -0.76 0.00 0.00 175.35 174.92 3jxj h ILE 369 N 5.95 1.31 -0.32 2.17 2.04 -1.93 -2.71 117.51 124.02 3jxj h ILE 369 Ca 0.02 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3jxj h ILE 369 Cb 1.04 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 3jxj h ILE 369 CO 1.15 0.25 0.16 1.23 0.00 0.00 0.00 178.15 180.94 3jxj h GLY 370 N -0.43 0.43 1.21 5.37 0.00 -1.90 -1.84 103.07 105.91 3jxj h GLY 370 Ca -0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 3jxj h GLY 370 CO 0.00 0.09 -0.62 1.19 0.00 0.00 0.00 176.54 177.20 3jxj h ILE 371 N 0.33 1.28 -0.04 2.60 6.09 -1.92 -3.04 117.51 122.81 3jxj h ILE 371 Ca 0.13 -1.81 0.01 0.00 -1.37 0.00 0.00 64.86 61.82 3jxj h ILE 371 Cb 0.05 1.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 3jxj h ILE 371 CO -0.10 0.58 -0.03 0.15 -3.07 0.00 0.00 178.15 175.69 3jxj h PHE 372 N 0.60 -0.06 -0.88 2.19 3.57 -1.20 -2.02 116.94 119.15 3jxj h PHE 372 Ca -0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3jxj h PHE 372 Cb 1.22 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 3jxj h PHE 372 CO 0.07 -0.04 0.54 1.96 -2.23 0.00 0.00 178.31 178.61 3jxj h GLN 373 N -0.03 0.92 -0.51 1.11 4.20 -1.42 -2.78 115.11 116.60 3jxj h GLN 373 Ca 0.03 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3jxj h GLN 373 Cb 0.07 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3jxj h GLN 373 CO -0.06 0.61 0.07 1.25 -0.67 0.00 0.00 178.83 180.03 3jxj h HIS 374 N 0.95 0.84 -0.44 2.96 2.76 -1.30 0.58 115.15 121.51 3jxj h HIS 374 Ca 0.40 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 3jxj h HIS 374 Cb 0.24 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3jxj h HIS 374 CO -0.03 0.74 -0.25 0.82 -1.30 0.00 0.00 177.93 177.91 3jxj h ILE 375 N 0.77 1.27 0.12 6.26 2.04 -1.14 0.14 117.51 126.97 3jxj h ILE 375 Ca 0.16 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3jxj h ILE 375 Cb 0.36 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3jxj h ILE 375 CO 0.01 0.48 -0.06 0.40 0.00 0.00 0.00 178.15 178.98 3jxj h ILE 376 N 0.79 1.02 -0.15 -0.67 1.08 -1.24 -1.81 117.51 116.53 3jxj h ILE 376 Ca 0.09 -0.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.98 3jxj h ILE 376 Cb 0.83 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 3jxj h ILE 376 CO 0.07 0.15 0.14 -0.09 -0.69 0.00 0.00 178.15 177.73 3jxj h ARG 377 N -0.46 0.00 0.09 2.37 2.43 0.24 -1.98 114.38 117.07 3jxj h ARG 377 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jxj h ARG 377 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3jxj h ARG 377 CO 0.03 0.00 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.36 3jxj h ARG 378 N 0.00 -0.12 0.00 0.20 2.43 -0.49 -3.20 114.38 113.20 3jxj h ARG 378 Ca 0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3jxj h ARG 378 Cb 0.35 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3jxj h ARG 378 CO -0.00 0.42 -0.18 0.93 -1.51 0.00 0.00 179.97 179.63 3jxj h GLU 379 N -0.84 0.00 -0.79 0.20 5.08 -0.63 0.26 114.58 117.87 3jxj h GLU 379 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3jxj h GLU 379 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3jxj h GLU 379 CO 0.02 0.18 0.33 0.82 -1.00 0.00 0.00 179.01 179.36 3jxj h ILE 380 N 0.00 1.26 -0.41 3.13 2.04 -1.51 -0.73 117.51 121.30 3jxj h ILE 380 Ca -0.00 -0.79 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 3jxj h ILE 380 Cb 0.35 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3jxj h ILE 380 CO 0.02 0.32 -0.16 0.00 0.00 0.00 0.00 178.15 178.34 3jxj h ALA 381 N 1.17 0.95 0.00 1.87 0.00 -1.01 -2.93 119.26 119.32 3jxj h ALA 381 Ca 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3jxj h ALA 381 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3jxj h ALA 381 CO -0.02 0.61 -0.13 -0.44 0.00 0.00 0.00 179.25 179.27 3jxj h ASP 382 N 0.68 0.00 0.46 0.00 3.32 -0.69 -1.79 116.42 118.40 3jxj h ASP 382 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3jxj h ASP 382 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3jxj h ASP 382 CO 0.05 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 3jxj n ALA 383 N -2.17 1.54 0.88 3.45 0.00 -0.32 -2.38 120.51 121.51 3jxj n ALA 383 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3jxj n ALA 383 Cb 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3jxj n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jxj n ALA 384 N -1.58 2.06 -0.64 0.00 0.00 -0.67 -3.34 120.51 116.33 3jxj n ALA 384 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 3jxj n ALA 384 Cb 0.15 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.66 3jxj n ALA 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jxj n ALA 385 N -0.04 4.80 -3.30 0.00 0.00 -1.00 -4.76 120.51 116.21 3jxj n ALA 385 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 53.44 51.59 3jxj n ALA 385 Cb 0.12 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 3jxj n ALA 385 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3jxj s HIS 386 N -1.84 0.03 0.15 0.00 3.76 -1.21 -5.14 115.29 111.04 3jxj s HIS 386 Ca 0.31 -1.31 -0.26 0.00 -0.15 0.00 0.00 55.06 53.66 3jxj s HIS 386 Cb 0.25 -0.51 -0.07 0.00 1.11 0.00 0.00 32.58 33.36 3jxj s HIS 386 CO 0.02 -0.95 0.81 -3.38 -0.85 0.00 0.00 174.74 170.38 3jxj s HIS 387 N 0.93 3.88 -2.32 1.40 -3.43 -1.26 -5.16 115.29 109.32 3jxj s HIS 387 Ca 0.23 1.65 0.19 0.00 -0.80 0.00 0.00 55.06 56.33 3jxj s HIS 387 Cb -0.09 -2.82 0.15 0.00 -1.43 0.00 0.00 32.58 28.38 3jxj s HIS 387 CO -0.07 0.44 1.09 0.72 -2.00 0.00 0.00 174.74 174.92