#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxi s LYS 133 N 0.00 4.42 -0.02 0.03 2.20 -1.26 -5.08 119.74 120.04 3jxi s LYS 133 Ca 0.00 1.05 -0.17 0.00 -0.36 0.00 0.00 55.97 56.49 3jxi s LYS 133 Cb 0.00 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3jxi s LYS 133 CO 0.00 -0.09 0.47 0.08 -0.36 0.00 0.00 175.35 175.46 3jxi s VAL 134 N 1.28 5.00 -0.04 4.02 1.01 -1.26 -4.85 120.40 125.56 3jxi s VAL 134 Ca 0.41 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.44 3jxi s VAL 134 Cb -0.18 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3jxi s VAL 134 CO 0.19 0.49 -0.24 -0.36 0.00 0.00 0.00 175.10 175.18 3jxi s PHE 135 N -0.55 2.29 0.00 5.22 0.08 -1.26 -5.03 117.98 118.73 3jxi s PHE 135 Ca 0.26 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.71 3jxi s PHE 135 Cb -0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 3jxi s PHE 135 CO 0.14 -0.15 0.00 0.27 -0.10 0.00 0.00 175.22 175.38 3jxi n ASN 136 N 2.80 0.34 -0.03 1.36 0.23 -1.26 -5.01 115.26 113.69 3jxi n ASN 136 Ca -0.17 -0.96 -0.15 0.00 -0.53 0.00 0.00 54.58 52.77 3jxi n ASN 136 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 3jxi n ASN 136 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3jxi h ARG 137 N 0.00 0.30 -0.98 -3.83 2.43 -1.96 -0.06 114.38 110.28 3jxi h ARG 137 Ca 0.00 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3jxi h ARG 137 Cb 0.00 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 3jxi h ARG 137 CO 0.00 0.92 0.63 -1.35 -1.51 0.00 0.00 179.97 178.66 3jxi h PRO 138 N -0.24 1.10 -0.22 0.20 0.11 -1.99 -0.02 132.00 130.95 3jxi h PRO 138 Ca -0.03 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3jxi h PRO 138 Cb 0.99 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 3jxi h PRO 138 CO 0.06 0.73 -0.07 0.82 -0.21 0.00 0.00 178.00 179.33 3jxi h ILE 139 N 1.14 1.29 -0.10 4.15 1.08 -1.95 -1.73 117.51 121.38 3jxi h ILE 139 Ca 0.42 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 3jxi h ILE 139 Cb 0.19 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3jxi h ILE 139 CO -0.17 0.33 0.07 0.25 -0.69 0.00 0.00 178.15 177.94 3jxi h LEU 140 N 0.15 0.12 -1.03 1.44 5.85 -0.84 -2.82 115.31 118.18 3jxi h LEU 140 Ca 0.05 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3jxi h LEU 140 Cb 0.54 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3jxi h LEU 140 CO 0.02 0.09 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.62 3jxi h PHE 141 N 0.14 0.31 -0.59 1.25 -1.00 -0.99 -2.30 116.94 113.75 3jxi h PHE 141 Ca 0.04 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 3jxi h PHE 141 Cb -0.01 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 3jxi h PHE 141 CO -0.07 0.58 0.21 0.22 -1.61 0.00 0.00 178.31 177.64 3jxi h ASP 142 N 0.24 0.85 -0.02 2.17 3.58 -1.30 -1.77 116.42 120.16 3jxi h ASP 142 Ca 0.03 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 3jxi h ASP 142 Cb 0.71 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 3jxi h ASP 142 CO 0.05 0.81 0.00 0.40 -2.88 0.00 0.00 179.24 177.63 3jxi h ILE 143 N 0.83 1.23 0.00 2.25 2.04 -1.23 -1.66 117.51 120.97 3jxi h ILE 143 Ca 0.19 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 3jxi h ILE 143 Cb 0.25 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3jxi h ILE 143 CO -0.01 0.18 -0.47 -0.37 0.00 0.00 0.00 178.15 177.48 3jxi h VAL 144 N -0.24 1.06 -0.41 1.67 -1.51 -1.45 0.87 116.25 116.23 3jxi h VAL 144 Ca 0.01 -1.80 -0.15 0.00 -1.23 0.00 0.00 66.70 63.52 3jxi h VAL 144 Cb 0.29 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3jxi h VAL 144 CO 0.00 0.46 -0.33 0.28 -1.23 0.00 0.00 177.57 176.75 3jxi h SER 145 N 0.00 1.00 0.83 4.19 0.02 -1.28 -2.85 113.55 115.46 3jxi h SER 145 Ca -0.00 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 3jxi h SER 145 Cb 1.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3jxi h SER 145 CO 0.06 1.23 -0.42 0.03 -1.14 0.00 0.00 176.83 176.59 3jxi h ARG 146 N 0.79 0.00 -2.49 3.45 3.08 -1.13 -3.46 114.38 114.62 3jxi h ARG 146 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3jxi h ARG 146 Cb 0.92 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.00 3jxi h ARG 146 CO 0.09 0.42 -0.15 0.41 -1.07 0.00 0.00 179.97 179.67 3jxi n GLY 147 N 0.27 0.40 3.35 0.04 0.00 0.19 -5.03 105.19 104.41 3jxi n GLY 147 Ca -0.00 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 3jxi n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jxi s SER 148 N -3.21 6.17 0.37 1.61 0.15 -0.55 -4.47 113.70 113.77 3jxi s SER 148 Ca 0.04 -1.57 0.08 0.00 0.70 0.00 0.00 55.95 55.20 3jxi s SER 148 Cb -0.02 -2.20 0.73 0.00 -1.71 0.00 0.00 66.02 62.82 3jxi s SER 148 CO 0.15 -0.77 1.89 1.55 1.20 0.00 0.00 173.24 177.26 3jxi h PRO 149 N 8.84 0.30 -0.34 5.44 0.13 -1.89 -2.72 132.00 141.75 3jxi h PRO 149 Ca -0.29 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3jxi h PRO 149 Cb 1.10 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3jxi h PRO 149 CO 0.97 0.43 0.01 -0.44 -0.23 0.00 0.00 178.00 178.73 3jxi h ASP 150 N 0.28 0.49 -0.55 1.44 3.32 -1.96 -2.61 116.42 116.83 3jxi h ASP 150 Ca 0.06 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.13 3jxi h ASP 150 Cb 0.39 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3jxi h ASP 150 CO 0.02 0.56 0.38 1.23 -1.72 0.00 0.00 179.24 179.71 3jxi h GLY 151 N 0.83 0.36 1.87 2.75 0.00 -1.88 -2.38 103.07 104.61 3jxi h GLY 151 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3jxi h GLY 151 CO 0.01 0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3jxi n LEU 152 N -4.45 0.00 -4.64 3.11 4.77 -0.98 -4.83 117.00 109.98 3jxi n LEU 152 Ca 0.09 0.43 -0.51 0.00 -0.03 0.00 0.00 56.01 56.00 3jxi n LEU 152 Cb 0.45 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3jxi n LEU 152 CO 0.35 -0.15 1.12 -0.62 -1.33 0.00 0.00 177.39 176.76 3jxi n GLU 153 N -1.43 1.55 -0.29 3.23 1.02 -0.90 -1.31 120.64 122.50 3jxi n GLU 153 Ca 0.06 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3jxi n GLU 153 Cb 0.20 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 3jxi n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jxi n GLY 154 N 3.25 1.83 0.06 0.62 0.00 -1.26 -4.95 105.19 104.74 3jxi n GLY 154 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3jxi n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jxi h LEU 155 N 0.00 0.05 0.23 0.99 5.85 -1.53 -0.79 115.31 120.12 3jxi h LEU 155 Ca 0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3jxi h LEU 155 Cb 0.00 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3jxi h LEU 155 CO 0.00 0.26 -0.29 0.25 -0.34 0.00 0.00 178.44 178.32 3jxi h LEU 156 N -0.16 -0.79 -1.23 2.25 5.85 -1.93 -0.44 115.31 118.86 3jxi h LEU 156 Ca 0.01 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3jxi h LEU 156 Cb 0.23 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3jxi h LEU 156 CO 0.00 -0.40 0.57 0.28 -0.34 0.00 0.00 178.44 178.55 3jxi h SER 157 N -0.57 0.75 0.14 1.25 0.02 -1.95 -0.39 113.55 112.79 3jxi h SER 157 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3jxi h SER 157 Cb 0.55 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3jxi h SER 157 CO -0.09 0.42 -0.07 0.15 -1.14 0.00 0.00 176.83 176.10 3jxi h PHE 158 N 0.82 -0.17 -0.41 3.45 3.57 -0.10 0.96 116.94 125.05 3jxi h PHE 158 Ca 0.42 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 3jxi h PHE 158 Cb 0.50 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3jxi h PHE 158 CO -0.00 0.01 0.23 -0.07 -2.23 0.00 0.00 178.31 176.25 3jxi h LEU 159 N -0.32 0.51 0.16 0.59 3.38 -0.31 -0.84 115.31 118.48 3jxi h LEU 159 Ca -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jxi h LEU 159 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3jxi h LEU 159 CO 0.03 0.45 -0.12 -0.07 0.09 0.00 0.00 178.44 178.82 3jxi h LEU 160 N 0.54 -0.29 -0.94 1.67 4.07 -1.05 0.31 115.31 119.61 3jxi h LEU 160 Ca 0.15 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.02 3jxi h LEU 160 Cb 0.05 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3jxi h LEU 160 CO -0.02 -0.19 -0.41 0.71 -1.08 0.00 0.00 178.44 177.45 3jxi h THR 161 N -0.28 1.31 -0.05 0.22 1.35 -0.53 -2.84 112.91 112.08 3jxi h THR 161 Ca -0.01 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3jxi h THR 161 Cb 0.25 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3jxi h THR 161 CO 0.00 0.46 0.00 1.41 -0.25 0.00 0.00 175.52 177.14 3jxi n HIS 162 N -4.02 0.04 -3.65 4.73 8.25 -0.34 -4.97 115.22 115.26 3jxi n HIS 162 Ca -0.02 -0.02 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 3jxi n HIS 162 Cb 0.48 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.65 3jxi n HIS 162 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jxi n LYS 163 N 0.50 -6.02 -4.33 -0.41 5.02 0.12 -5.02 118.16 108.02 3jxi n LYS 163 Ca 0.18 0.71 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 3jxi n LYS 163 Cb 0.42 -5.55 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 3jxi n LYS 163 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3jxi s LYS 164 N -5.99 2.13 0.04 1.97 1.02 0.86 -5.02 119.74 114.76 3jxi s LYS 164 Ca 0.23 -1.99 -0.00 0.00 0.02 0.00 0.00 55.97 54.23 3jxi s LYS 164 Cb -0.11 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3jxi s LYS 164 CO 0.78 -0.14 -0.03 1.03 -0.92 0.00 0.00 175.35 176.07 3jxi s ARG 165 N -3.85 0.53 0.03 1.68 0.52 -1.26 -4.56 118.95 112.02 3jxi s ARG 165 Ca 0.36 -1.01 0.24 0.00 -0.52 0.00 0.00 55.73 54.80 3jxi s ARG 165 Cb 0.06 0.13 1.01 0.00 0.52 0.00 0.00 34.95 36.66 3jxi s ARG 165 CO 0.19 -0.08 1.77 1.28 0.02 0.00 0.00 175.30 178.48 3jxi n LEU 166 N 0.63 0.09 0.01 2.53 4.77 -1.26 -2.36 117.00 121.41 3jxi n LEU 166 Ca -0.17 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 3jxi n LEU 166 Cb 0.59 -0.49 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 3jxi n LEU 166 CO 0.25 -0.11 0.54 0.35 -1.33 0.00 0.00 177.39 177.09 3jxi n THR 167 N -1.59 0.05 -1.92 -5.08 -2.24 -1.26 -4.67 114.28 97.57 3jxi n THR 167 Ca 0.06 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3jxi n THR 167 Cb 0.29 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3jxi n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jxi s ASP 168 N -3.18 6.51 0.41 3.42 1.01 -0.99 -4.83 116.67 119.01 3jxi s ASP 168 Ca 0.11 2.91 0.18 0.00 0.71 0.00 0.00 52.55 56.46 3jxi s ASP 168 Cb 0.17 -2.66 1.10 0.00 1.01 0.00 0.00 42.92 42.54 3jxi s ASP 168 CO 0.67 -0.75 1.80 -0.33 0.21 0.00 0.00 175.17 176.77 3jxi h GLU 169 N 3.24 0.39 0.00 8.23 3.07 -1.91 0.39 114.58 127.98 3jxi h GLU 169 Ca -0.50 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3jxi h GLU 169 Cb 1.23 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3jxi h GLU 169 CO 0.65 0.25 0.00 1.05 -1.40 0.00 0.00 179.01 179.57 3jxi h GLU 170 N 0.40 0.00 -0.28 2.33 4.11 -1.94 -1.52 114.58 117.67 3jxi h GLU 170 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3jxi h GLU 170 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3jxi h GLU 170 CO -0.25 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.02 3jxi n PHE 171 N -2.30 0.73 -4.21 2.06 3.72 0.12 -4.20 117.46 113.38 3jxi n PHE 171 Ca -0.01 -0.73 -0.28 0.00 -0.05 0.00 0.00 57.45 56.38 3jxi n PHE 171 Cb 0.07 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 3jxi n PHE 171 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3jxi s ARG 172 N -2.12 2.31 -0.23 -1.08 0.52 -0.57 -4.11 118.95 113.66 3jxi s ARG 172 Ca 0.34 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 3jxi s ARG 172 Cb 0.25 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 3jxi s ARG 172 CO 0.11 0.48 1.29 -2.00 0.02 0.00 0.00 175.30 175.20 3jxi s GLU 173 N -2.66 4.06 0.37 3.54 2.12 0.13 -4.92 118.70 121.34 3jxi s GLU 173 Ca 0.25 1.45 0.07 0.00 0.36 0.00 0.00 54.97 57.11 3jxi s GLU 173 Cb -0.10 -3.83 0.80 0.00 0.26 0.00 0.00 34.13 31.26 3jxi s GLU 173 CO 0.17 -0.93 1.95 -1.35 -0.54 0.00 0.00 175.26 174.56 3jxi h PRO 174 N 8.82 0.67 0.00 4.30 0.11 -1.89 0.25 132.00 144.27 3jxi h PRO 174 Ca -0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3jxi h PRO 174 Cb 1.10 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3jxi h PRO 174 CO 1.00 0.45 -0.06 0.66 -0.21 0.00 0.00 178.00 179.84 3jxi h SER 175 N 0.69 0.00 0.00 -2.05 4.64 -1.98 -3.37 113.55 111.49 3jxi h SER 175 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3jxi h SER 175 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3jxi h SER 175 CO -0.11 0.06 -0.15 0.35 -0.87 0.00 0.00 176.83 176.10 3jxi n THR 176 N -3.24 0.00 -1.00 2.95 -2.24 -1.01 -4.94 114.28 104.80 3jxi n THR 176 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3jxi n THR 176 Cb 0.26 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3jxi n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 177 N 0.39 0.88 3.71 3.38 0.00 0.05 -0.79 105.19 112.81 3jxi n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3jxi n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxi s LYS 178 N -0.00 4.19 1.02 1.61 1.02 -1.25 -4.63 119.74 121.70 3jxi s LYS 178 Ca 0.00 2.43 -0.17 0.00 0.02 0.00 0.00 55.97 58.25 3jxi s LYS 178 Cb 0.00 -3.19 0.24 0.00 -0.52 0.00 0.00 37.83 34.36 3jxi s LYS 178 CO 0.00 -0.67 1.33 0.95 -0.92 0.00 0.00 175.35 176.05 3jxi s THR 179 N 1.34 1.95 -0.45 2.17 -4.23 -1.26 0.17 115.64 115.32 3jxi s THR 179 Ca 0.72 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.43 3jxi s THR 179 Cb -0.45 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 70.64 3jxi s THR 179 CO 0.32 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 176.00 3jxi h LEU 181 N 0.00 -0.07 -1.48 0.00 5.85 -1.93 -0.91 115.31 116.76 3jxi h LEU 181 Ca 0.00 -0.56 0.15 0.00 0.84 0.00 0.00 57.88 58.31 3jxi h LEU 181 Cb 0.17 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3jxi h LEU 181 CO 0.00 0.61 0.53 -0.65 -0.34 0.00 0.00 178.44 178.59 3jxi h PRO 182 N -0.85 0.49 -0.51 5.25 0.11 -1.95 -1.26 132.00 133.29 3jxi h PRO 182 Ca -0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3jxi h PRO 182 Cb 0.63 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3jxi h PRO 182 CO 0.01 0.33 0.03 -0.22 -0.21 0.00 0.00 178.00 177.94 3jxi h LYS 183 N 0.51 0.84 -0.40 1.05 1.63 -1.61 -1.97 116.57 116.61 3jxi h LYS 183 Ca 0.40 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3jxi h LYS 183 Cb 0.81 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 3jxi h LYS 183 CO -0.15 0.82 0.13 0.00 -3.45 0.00 0.00 179.45 176.80 3jxi h ALA 184 N 1.25 0.53 0.00 5.00 0.00 -0.05 -3.17 119.26 122.82 3jxi h ALA 184 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3jxi h ALA 184 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jxi h ALA 184 CO 0.02 0.17 -0.17 -0.07 0.00 0.00 0.00 179.25 179.20 3jxi h LEU 185 N 0.51 0.00 -0.65 0.00 3.38 -1.10 -1.54 115.31 115.91 3jxi h LEU 185 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jxi h LEU 185 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3jxi h LEU 185 CO -0.01 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.87 3jxi n LEU 186 N -3.34 0.98 -3.30 1.67 4.77 -0.76 -4.47 117.00 112.56 3jxi n LEU 186 Ca 0.00 -0.38 -0.26 0.00 -0.03 0.00 0.00 56.01 55.34 3jxi n LEU 186 Cb 0.39 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3jxi n LEU 186 CO 0.32 0.19 -0.31 0.59 -1.33 0.00 0.00 177.39 176.85 3jxi n ASN 187 N -0.17 -0.19 -4.88 -1.43 3.02 -0.58 -5.07 115.26 105.97 3jxi n ASN 187 Ca 0.17 -2.52 -0.31 0.00 -0.03 0.00 0.00 54.58 51.89 3jxi n ASN 187 Cb 0.24 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 3jxi n ASN 187 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jxi s LEU 188 N -0.52 4.20 -0.22 3.41 1.43 -1.26 -4.67 118.68 121.06 3jxi s LEU 188 Ca 0.34 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3jxi s LEU 188 Cb 0.10 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.59 3jxi s LEU 188 CO -0.16 0.19 -0.13 -0.44 0.23 0.00 0.00 176.35 176.04 3jxi s SER 189 N -2.36 3.82 -1.50 2.29 0.01 0.58 -4.65 113.70 111.89 3jxi s SER 189 Ca 0.32 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 3jxi s SER 189 Cb -0.13 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.57 3jxi s SER 189 CO 0.25 -0.08 0.34 0.00 0.41 0.00 0.00 173.24 174.16 3jxi n ALA 190 N 4.60 -1.90 -0.99 1.44 0.00 -1.26 -1.85 120.51 120.56 3jxi n ALA 190 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3jxi n ALA 190 Cb 0.47 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3jxi n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jxi n GLY 191 N -2.07 0.46 2.81 0.00 0.00 -1.26 -5.02 105.19 100.12 3jxi n GLY 191 Ca -0.26 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 3jxi n GLY 191 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jxi s ARG 192 N -0.77 0.03 -0.25 1.61 6.06 -0.77 -5.02 118.95 119.84 3jxi s ARG 192 Ca 0.00 0.11 -0.04 0.00 -2.50 0.00 0.00 55.73 53.30 3jxi s ARG 192 Cb 0.00 -0.21 0.08 0.00 0.06 0.00 0.00 34.95 34.88 3jxi s ARG 192 CO 0.00 -0.10 0.10 1.21 -2.50 0.00 0.00 175.30 174.00 3jxi s ASN 193 N 0.70 3.20 0.00 -2.12 3.84 -1.26 -0.31 114.94 118.99 3jxi s ASN 193 Ca -0.06 -1.09 0.15 0.00 0.21 0.00 0.00 52.86 52.07 3jxi s ASN 193 Cb -0.09 -0.44 0.69 0.00 -0.55 0.00 0.00 41.25 40.86 3jxi s ASN 193 CO -0.02 -0.39 1.46 0.47 -2.79 0.00 0.00 177.10 175.83 3jxi n ASP 194 N 5.16 0.00 0.26 -4.21 8.00 -1.26 -1.65 116.55 122.85 3jxi n ASP 194 Ca -0.06 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.91 3jxi n ASP 194 Cb 0.45 -0.42 0.73 0.00 -0.02 0.00 0.00 41.12 41.86 3jxi n ASP 194 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3jxi h THR 195 N 0.00 0.53 0.41 -3.53 1.35 -1.87 -3.37 112.91 106.44 3jxi h THR 195 Ca 0.00 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 3jxi h THR 195 Cb 0.21 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3jxi h THR 195 CO 0.00 0.11 -0.20 0.40 -0.25 0.00 0.00 175.52 175.58 3jxi h ILE 196 N 0.00 0.60 -0.79 6.82 2.04 -1.73 -0.49 117.51 123.96 3jxi h ILE 196 Ca -0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3jxi h ILE 196 Cb 0.34 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3jxi h ILE 196 CO 0.01 0.01 0.52 -0.65 0.00 0.00 0.00 178.15 178.05 3jxi h PRO 197 N -0.59 0.94 -0.06 2.37 0.11 -1.81 -2.39 132.00 130.58 3jxi h PRO 197 Ca -0.06 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3jxi h PRO 197 Cb 0.44 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3jxi h PRO 197 CO 0.09 0.62 0.03 0.82 -0.21 0.00 0.00 178.00 179.36 3jxi h ILE 198 N 0.97 1.12 -0.65 4.15 2.04 -1.65 -2.53 117.51 120.97 3jxi h ILE 198 Ca 0.31 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3jxi h ILE 198 Cb 0.04 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3jxi h ILE 198 CO -0.09 0.10 0.37 -0.07 0.00 0.00 0.00 178.15 178.46 3jxi h LEU 199 N -0.04 0.55 -0.90 1.44 3.38 -0.83 -1.47 115.31 117.45 3jxi h LEU 199 Ca 0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3jxi h LEU 199 Cb 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3jxi h LEU 199 CO -0.00 0.37 0.57 -0.07 0.09 0.00 0.00 178.44 179.39 3jxi h LEU 200 N 0.69 0.91 -0.25 1.67 3.38 -1.38 -0.55 115.31 119.77 3jxi h LEU 200 Ca 0.28 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3jxi h LEU 200 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3jxi h LEU 200 CO -0.16 0.59 -0.39 -0.78 0.09 0.00 0.00 178.44 177.79 3jxi h ASP 201 N 1.05 0.77 -0.81 -0.43 3.58 -1.14 -1.37 116.42 118.07 3jxi h ASP 201 Ca 0.38 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 3jxi h ASP 201 Cb 0.14 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 3jxi h ASP 201 CO -0.16 1.14 0.49 0.40 -2.88 0.00 0.00 179.24 178.23 3jxi h ILE 202 N 0.43 1.23 -0.54 2.25 2.04 -1.02 -0.00 117.51 121.89 3jxi h ILE 202 Ca 0.02 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 3jxi h ILE 202 Cb 0.98 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3jxi h ILE 202 CO 0.09 0.24 -0.05 0.00 0.00 0.00 0.00 178.15 178.42 3jxi h ALA 203 N 1.42 0.74 -0.09 1.87 0.00 -1.00 -2.51 119.26 119.68 3jxi h ALA 203 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3jxi h ALA 203 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3jxi h ALA 203 CO -0.06 0.61 0.01 1.49 0.00 0.00 0.00 179.25 181.30 3jxi h GLU 204 N 0.87 0.04 0.00 0.00 4.81 -0.83 0.43 114.58 119.90 3jxi h GLU 204 Ca 0.15 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3jxi h GLU 204 Cb 0.61 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3jxi h GLU 204 CO 0.04 0.03 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 3jxi n LYS 205 N -5.10 0.15 -0.37 1.92 5.02 -0.05 -1.95 118.16 117.78 3jxi n LYS 205 Ca -0.05 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 3jxi n LYS 205 Cb 0.06 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.80 3jxi n LYS 205 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3jxi n THR 206 N -1.39 1.91 -2.67 -0.18 -2.24 -0.95 -5.00 114.28 103.76 3jxi n THR 206 Ca 0.07 -1.62 -0.17 0.00 -2.27 0.00 0.00 64.05 60.07 3jxi n THR 206 Cb 0.20 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 3jxi n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 207 N -0.20 -0.24 0.00 3.38 0.00 -0.82 -4.89 105.19 102.41 3jxi n GLY 207 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jxi n GLY 207 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jxi n ASN 208 N -1.34 0.46 -0.07 1.61 4.05 0.12 -4.92 115.26 115.17 3jxi n ASN 208 Ca -0.12 -1.22 -0.11 0.00 0.45 0.00 0.00 54.58 53.59 3jxi n ASN 208 Cb 0.61 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.58 3jxi n ASN 208 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 3jxi h MET 209 N 0.00 0.35 -0.25 1.20 4.05 -1.78 -0.96 114.93 117.54 3jxi h MET 209 Ca 0.00 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 3jxi h MET 209 Cb 0.84 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 3jxi h MET 209 CO 0.00 0.44 0.04 0.07 0.23 0.00 0.00 176.91 177.70 3jxi h ARG 210 N 0.19 0.41 -0.29 0.39 0.11 -1.91 -2.07 114.38 111.20 3jxi h ARG 210 Ca 0.07 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 3jxi h ARG 210 Cb 0.24 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 3jxi h ARG 210 CO -0.00 0.53 -0.22 1.05 0.10 0.00 0.00 179.97 181.43 3jxi h GLU 211 N 0.22 0.55 0.36 0.08 9.09 -1.92 -1.67 114.58 121.28 3jxi h GLU 211 Ca 0.07 -0.20 -0.02 0.00 0.05 0.00 0.00 59.36 59.27 3jxi h GLU 211 Cb 0.32 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3jxi h GLU 211 CO 0.00 0.74 -0.17 0.35 0.05 0.00 0.00 179.01 179.98 3jxi h PHE 212 N 0.49 -0.45 -0.66 2.06 -0.00 -1.09 -0.07 116.94 117.22 3jxi h PHE 212 Ca 0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.03 3jxi h PHE 212 Cb 0.66 0.15 -0.03 0.00 -0.00 0.00 0.00 35.95 36.72 3jxi h PHE 212 CO 0.02 -0.25 0.41 0.82 -0.00 0.00 0.00 178.31 179.31 3jxi h ILE 213 N -0.54 1.18 -0.13 1.41 2.04 -1.26 -3.00 117.51 117.20 3jxi h ILE 213 Ca -0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3jxi h ILE 213 Cb 0.41 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3jxi h ILE 213 CO 0.08 0.19 0.00 0.59 0.00 0.00 0.00 178.15 179.01 3jxi n ASN 214 N -4.41 3.06 -4.67 1.72 3.02 -0.64 -4.11 115.26 109.23 3jxi n ASN 214 Ca 0.07 -1.96 -0.48 0.00 -0.03 0.00 0.00 54.58 52.17 3jxi n ASN 214 Cb 0.06 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3jxi n ASN 214 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jxi n SER 215 N 1.33 3.14 -4.87 6.41 2.88 -0.05 -4.89 113.62 117.58 3jxi n SER 215 Ca 0.15 1.03 -0.31 0.00 -1.33 0.00 0.00 58.87 58.41 3jxi n SER 215 Cb 0.58 -1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 62.64 3jxi n SER 215 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3jxi s PRO 216 N 2.74 3.83 0.33 -1.46 0.04 -1.26 -4.57 135.00 134.64 3jxi s PRO 216 Ca 0.88 0.53 0.04 0.00 0.04 0.00 0.00 61.00 62.49 3jxi s PRO 216 Cb -0.73 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3jxi s PRO 216 CO 0.48 -0.01 0.19 -0.59 0.04 0.00 0.00 177.00 177.10 3jxi s PHE 217 N -2.31 1.66 -0.07 0.56 -0.71 0.21 -4.61 117.98 112.72 3jxi s PHE 217 Ca 0.52 -1.44 -0.10 0.00 -1.04 0.00 0.00 56.93 54.87 3jxi s PHE 217 Cb -0.10 -0.86 0.02 0.00 -1.21 0.00 0.00 43.02 40.87 3jxi s PHE 217 CO 0.29 -0.58 0.25 -0.98 -1.34 0.00 0.00 175.22 172.86 3jxi s ARG 218 N -3.71 0.41 0.00 1.99 3.03 0.03 -2.38 118.95 118.32 3jxi s ARG 218 Ca 0.35 0.14 0.00 0.00 2.03 0.00 0.00 55.73 58.25 3jxi s ARG 218 Cb 0.04 0.19 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 3jxi s ARG 218 CO 0.20 -0.08 0.00 -0.40 -1.13 0.00 0.00 175.30 173.89 3jxi n ASP 219 N 2.39 0.79 0.01 -2.89 3.85 -0.41 -4.48 116.55 115.80 3jxi n ASP 219 Ca -0.16 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.05 3jxi n ASP 219 Cb 0.57 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.80 3jxi n ASP 219 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3jxi n VAL 220 N 0.00 0.08 -0.12 2.12 3.14 -1.26 -4.08 118.33 118.21 3jxi n VAL 220 Ca 0.00 -0.04 -0.19 0.00 -2.96 0.00 0.00 64.34 61.14 3jxi n VAL 220 Cb 0.00 -0.25 -0.10 0.00 -1.06 0.00 0.00 33.84 32.43 3jxi n VAL 220 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3jxi n TYR 221 N -1.61 0.00 -3.99 1.45 4.01 -1.26 -4.67 117.16 111.09 3jxi n TYR 221 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3jxi n TYR 221 Cb 0.35 -0.87 -0.11 0.00 -0.31 0.00 0.00 39.34 38.40 3jxi n TYR 221 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3jxi s TYR 222 N -2.45 0.29 0.26 -0.72 2.02 -1.26 -0.97 117.35 114.52 3jxi s TYR 222 Ca -0.32 -0.58 0.12 0.00 -0.37 0.00 0.00 57.07 55.92 3jxi s TYR 222 Cb 0.10 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.40 3jxi s TYR 222 CO 0.49 -0.20 -0.21 -0.98 -1.57 0.00 0.00 175.55 173.08 3jxi s ARG 223 N -1.68 1.65 0.00 -0.62 1.70 0.65 -1.29 118.95 119.36 3jxi s ARG 223 Ca -0.14 -1.70 0.00 0.00 -0.47 0.00 0.00 55.73 53.42 3jxi s ARG 223 Cb -0.08 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 3jxi s ARG 223 CO -0.02 0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 3jxi n GLY 224 N -0.41 0.63 3.78 3.88 0.00 -1.01 -0.11 105.19 111.95 3jxi n GLY 224 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3jxi n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jxi s GLN 225 N -0.08 3.93 0.31 1.61 -0.21 -1.00 -4.27 119.66 119.96 3jxi s GLN 225 Ca 0.00 1.62 0.03 0.00 0.02 0.00 0.00 55.36 57.03 3jxi s GLN 225 Cb 0.00 -2.43 -0.06 0.00 1.00 0.00 0.00 33.01 31.52 3jxi s GLN 225 CO 0.00 -0.36 0.06 0.95 -2.12 0.00 0.00 175.29 173.82 3jxi s THR 226 N -1.64 1.08 0.40 -0.19 -4.23 -1.26 -0.62 115.64 109.19 3jxi s THR 226 Ca 0.61 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.29 3jxi s THR 226 Cb -0.24 -2.76 0.38 0.00 1.34 0.00 0.00 72.50 71.22 3jxi s THR 226 CO 0.30 -0.01 1.83 0.00 -0.54 0.00 0.00 174.62 176.20 3jxi h ALA 227 N 2.17 2.17 -0.53 3.99 0.00 -1.81 -1.56 119.26 123.70 3jxi h ALA 227 Ca -0.40 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3jxi h ALA 227 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3jxi h ALA 227 CO 0.68 -0.49 -0.13 1.25 0.00 0.00 0.00 179.25 180.56 3jxi h LEU 228 N 0.44 1.01 -0.58 0.00 5.85 -1.95 -0.71 115.31 119.37 3jxi h LEU 228 Ca 0.51 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3jxi h LEU 228 Cb 1.23 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3jxi h LEU 228 CO -0.22 1.13 0.34 0.45 -0.34 0.00 0.00 178.44 179.80 3jxi h HIS 229 N 0.89 0.63 -0.28 1.25 3.86 -1.69 -1.61 115.15 118.20 3jxi h HIS 229 Ca 0.13 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3jxi h HIS 229 Cb 0.69 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3jxi h HIS 229 CO 0.05 0.35 0.02 0.82 0.86 0.00 0.00 177.93 180.03 3jxi h ILE 230 N 0.66 1.24 -1.00 2.45 2.04 -1.35 0.16 117.51 121.72 3jxi h ILE 230 Ca 0.24 -0.85 0.13 0.00 1.00 0.00 0.00 64.86 65.38 3jxi h ILE 230 Cb 0.06 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 3jxi h ILE 230 CO -0.12 0.27 0.63 0.00 0.00 0.00 0.00 178.15 178.93 3jxi h ALA 231 N 0.85 1.56 -0.04 1.87 0.00 -0.98 0.61 119.26 123.13 3jxi h ALA 231 Ca 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3jxi h ALA 231 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3jxi h ALA 231 CO 0.01 0.17 -0.25 0.82 0.00 0.00 0.00 179.25 180.00 3jxi h ILE 232 N 0.95 1.47 -0.99 0.00 2.04 -0.97 -1.84 117.51 118.16 3jxi h ILE 232 Ca 0.51 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.63 3jxi h ILE 232 Cb 0.57 2.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 3jxi h ILE 232 CO -0.28 0.49 0.66 -0.08 0.00 0.00 0.00 178.15 178.94 3jxi h GLU 233 N -0.33 1.30 0.00 2.37 4.22 -0.48 -0.71 114.58 120.95 3jxi h GLU 233 Ca -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3jxi h GLU 233 Cb 0.93 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3jxi h GLU 233 CO 0.05 0.86 0.00 0.54 -2.18 0.00 0.00 179.01 178.28 3jxi n ARG 234 N -4.39 0.92 -3.32 1.92 5.12 0.16 -4.91 116.66 112.16 3jxi n ARG 234 Ca 0.12 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.86 3jxi n ARG 234 Cb 0.02 -1.49 0.06 0.00 -1.16 0.00 0.00 32.46 29.89 3jxi n ARG 234 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3jxi n ARG 235 N -0.99 -6.06 -3.30 5.56 1.74 -0.27 -4.97 116.66 108.38 3jxi n ARG 235 Ca 0.22 0.64 -0.44 0.00 -0.77 0.00 0.00 57.85 57.50 3jxi n ARG 235 Cb 0.10 -5.10 -0.00 0.00 -1.02 0.00 0.00 32.46 26.43 3jxi n ARG 235 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jxi h LYS 237 N 6.33 1.16 -0.66 0.00 3.64 -1.93 -1.00 116.57 124.11 3jxi h LYS 237 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3jxi h LYS 237 Cb 0.81 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3jxi h LYS 237 CO 1.07 0.77 0.40 1.25 -2.27 0.00 0.00 179.45 180.67 3jxi h HIS 238 N 1.20 0.86 -0.19 1.91 2.76 -1.96 -1.47 115.15 118.26 3jxi h HIS 238 Ca 0.37 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.38 3jxi h HIS 238 Cb -0.01 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 3jxi h HIS 238 CO -0.01 0.58 -0.55 1.88 -1.30 0.00 0.00 177.93 178.52 3jxi h TYR 239 N 0.89 0.73 -0.46 5.26 0.05 -1.79 -2.07 116.97 119.59 3jxi h TYR 239 Ca 0.24 -0.26 0.09 0.00 0.05 0.00 0.00 58.73 58.85 3jxi h TYR 239 Cb -0.04 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 37.48 3jxi h TYR 239 CO -0.02 1.00 -0.08 0.28 -1.05 0.00 0.00 178.16 178.29 3jxi h VAL 240 N 0.44 0.57 0.09 -2.88 2.07 -0.86 -0.87 116.25 114.81 3jxi h VAL 240 Ca 0.01 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3jxi h VAL 240 Cb 1.10 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3jxi h VAL 240 CO 0.11 0.01 -0.04 -0.33 0.02 0.00 0.00 177.57 177.33 3jxi h GLU 241 N 0.03 -0.11 -0.57 1.57 5.08 -1.04 -0.93 114.58 118.62 3jxi h GLU 241 Ca 0.22 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 3jxi h GLU 241 Cb 0.34 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.51 3jxi h GLU 241 CO -0.44 0.04 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.38 3jxi h LEU 242 N -0.24 -0.58 -0.18 1.33 3.38 -1.25 0.18 115.31 117.95 3jxi h LEU 242 Ca -0.01 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3jxi h LEU 242 Cb 0.20 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3jxi h LEU 242 CO 0.02 -0.20 0.04 -0.07 0.09 0.00 0.00 178.44 178.32 3jxi h LEU 243 N -0.02 0.28 -0.62 1.67 3.38 -1.03 -2.32 115.31 116.65 3jxi h LEU 243 Ca 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3jxi h LEU 243 Cb 0.43 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3jxi h LEU 243 CO -0.59 0.44 0.39 0.58 0.09 0.00 0.00 178.44 179.35 3jxi h VAL 244 N 0.10 1.17 -0.10 1.22 2.07 -0.79 -0.73 116.25 119.19 3jxi h VAL 244 Ca 0.06 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3jxi h VAL 244 Cb 0.27 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3jxi h VAL 244 CO 0.00 0.17 0.07 -0.33 0.02 0.00 0.00 177.57 177.50 3jxi h GLU 245 N 0.83 0.10 -0.73 1.57 5.08 -0.58 -2.00 114.58 118.86 3jxi h GLU 245 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3jxi h GLU 245 Cb -0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3jxi h GLU 245 CO -0.04 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 3jxi n LYS 246 N -4.52 2.86 0.00 2.33 5.02 -0.88 -4.96 118.16 118.01 3jxi n LYS 246 Ca -0.01 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 3jxi n LYS 246 Cb 0.11 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3jxi n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jxi n GLY 247 N 1.61 1.60 3.62 0.72 0.00 -0.75 -4.70 105.19 107.29 3jxi n GLY 247 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.81 3jxi n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxi n ALA 248 N -1.29 0.09 -2.18 4.61 0.00 -0.31 -4.90 120.51 116.54 3jxi n ALA 248 Ca 0.00 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 3jxi n ALA 248 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 3jxi n ALA 248 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jxi s ASP 249 N -0.09 6.22 0.00 0.00 2.15 -1.26 -4.79 116.67 118.90 3jxi s ASP 249 Ca 0.66 1.21 0.24 0.00 0.43 0.00 0.00 52.55 55.09 3jxi s ASP 249 Cb -0.73 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 40.52 3jxi s ASP 249 CO 0.54 -1.46 1.79 1.33 -0.17 0.00 0.00 175.17 177.20 3jxi n VAL 250 N 6.98 0.27 -1.20 1.11 0.24 -1.26 -3.08 118.33 121.39 3jxi n VAL 250 Ca 0.19 0.07 0.08 0.00 -2.04 0.00 0.00 64.34 62.64 3jxi n VAL 250 Cb 0.47 -0.67 0.17 0.00 -1.47 0.00 0.00 33.84 32.34 3jxi n VAL 250 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jxi n HIS 251 N -1.35 0.11 -1.95 6.34 8.25 -1.26 -4.10 115.22 121.26 3jxi n HIS 251 Ca 0.10 -1.13 -0.41 0.00 -0.26 0.00 0.00 57.72 56.01 3jxi n HIS 251 Cb 0.22 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 3jxi n HIS 251 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jxi s ALA 252 N -2.98 3.60 -0.23 -1.41 0.00 -1.18 -4.91 121.76 114.66 3jxi s ALA 252 Ca 0.35 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 3jxi s ALA 252 Cb 0.31 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3jxi s ALA 252 CO 0.01 -0.83 0.03 -0.65 0.00 0.00 0.00 175.76 174.32 3jxi s GLN 253 N -1.11 3.59 -0.56 0.00 -0.21 -1.26 -4.11 119.66 115.99 3jxi s GLN 253 Ca 0.56 -0.52 -0.20 0.00 0.02 0.00 0.00 55.36 55.22 3jxi s GLN 253 Cb -0.43 -3.19 0.07 0.00 1.00 0.00 0.00 33.01 30.46 3jxi s GLN 253 CO 0.51 -0.13 0.75 0.00 -2.12 0.00 0.00 175.29 174.30 3jxi s ALA 254 N 1.40 3.32 -0.12 6.09 0.00 -0.80 -4.35 121.76 127.30 3jxi s ALA 254 Ca 0.05 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 49.99 3jxi s ALA 254 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3jxi s ALA 254 CO 0.02 -2.29 0.46 1.03 0.00 0.00 0.00 175.76 174.98 3jxi s ARG 255 N 3.07 4.32 0.45 0.00 0.52 0.85 -4.34 118.95 123.82 3jxi s ARG 255 Ca 0.17 0.43 -0.24 0.00 -0.52 0.00 0.00 55.73 55.57 3jxi s ARG 255 Cb -0.19 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.77 3jxi s ARG 255 CO 0.11 0.18 1.30 0.20 0.02 0.00 0.00 175.30 177.11 3jxi s GLY 256 N 0.56 2.89 -0.06 -3.53 0.00 -1.26 -0.25 107.32 105.66 3jxi s GLY 256 Ca 0.25 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.22 3jxi s GLY 256 CO 0.10 1.78 -0.10 0.50 0.00 0.00 0.00 173.10 175.38 3jxi s ARG 257 N -2.50 2.65 0.19 2.90 0.52 -0.15 -4.82 118.95 117.75 3jxi s ARG 257 Ca 0.62 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 3jxi s ARG 257 Cb -0.37 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 3jxi s ARG 257 CO 0.47 0.65 -0.04 -0.59 0.02 0.00 0.00 175.30 175.81 3jxi s PHE 258 N -0.78 1.40 0.00 -0.53 -0.12 -1.26 -4.75 117.98 111.93 3jxi s PHE 258 Ca 0.12 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 56.13 3jxi s PHE 258 Cb -0.11 -0.78 0.00 0.00 -0.63 0.00 0.00 43.02 41.51 3jxi s PHE 258 CO 0.01 -0.02 0.00 1.19 -0.05 0.00 0.00 175.22 176.35 3jxi n PHE 259 N -0.31 0.00 -1.90 3.49 3.72 -1.26 -5.06 117.46 116.14 3jxi n PHE 259 Ca -0.07 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.01 3jxi n PHE 259 Cb 0.63 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 3jxi n PHE 259 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3jxi s GLN 260 N -1.27 3.19 0.14 -1.08 -1.52 -1.26 -4.96 119.66 112.89 3jxi s GLN 260 Ca 0.00 1.13 -0.22 0.00 -1.95 0.00 0.00 55.36 54.33 3jxi s GLN 260 Cb 0.00 -2.02 0.01 0.00 -0.22 0.00 0.00 33.01 30.78 3jxi s GLN 260 CO 0.00 -0.91 1.22 -2.30 -0.25 0.00 0.00 175.29 173.05 3jxi n PRO 261 N -2.37 -0.31 -4.63 2.91 -0.01 -1.26 -4.20 135.00 125.13 3jxi n PRO 261 Ca 0.08 1.20 -0.28 0.00 -0.01 0.00 0.00 63.50 64.49 3jxi n PRO 261 Cb 0.53 -1.77 -0.14 0.00 -0.01 0.00 0.00 33.50 32.11 3jxi n PRO 261 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 3jxi s LYS 262 N -5.49 1.52 0.00 -0.52 -2.85 -1.26 -5.04 119.74 106.10 3jxi s LYS 262 Ca -0.10 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 3jxi s LYS 262 Cb 0.11 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 3jxi s LYS 262 CO 0.51 0.44 0.00 -3.47 0.10 0.00 0.00 175.35 172.93 3jxi n ASP 263 N 1.46 0.00 0.00 0.03 2.03 -1.26 -4.90 116.55 113.91 3jxi n ASP 263 Ca -0.18 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.23 3jxi n ASP 263 Cb 0.53 0.00 0.57 0.00 -0.72 0.00 0.00 41.12 41.50 3jxi n ASP 263 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3jxi n GLU 264 N -2.00 0.55 0.00 -0.67 -0.00 -1.26 -4.96 120.64 112.31 3jxi n GLU 264 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 3jxi n GLU 264 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 3jxi n GLU 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jxi n GLY 265 N 0.26 1.24 0.00 -1.84 0.00 -1.26 -4.94 105.19 98.65 3jxi n GLY 265 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3jxi n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jxi n GLY 266 N 0.00 2.84 3.87 -0.02 0.00 -1.26 -4.76 105.19 105.85 3jxi n GLY 266 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3jxi n GLY 266 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jxi s TYR 267 N -2.40 3.56 -0.30 1.61 -0.85 -1.26 -5.03 117.35 112.68 3jxi s TYR 267 Ca 0.00 0.83 -0.28 0.00 -0.52 0.00 0.00 57.07 57.10 3jxi s TYR 267 Cb 0.00 -2.20 -0.03 0.00 0.38 0.00 0.00 41.96 40.11 3jxi s TYR 267 CO 0.00 0.46 1.95 0.12 -1.52 0.00 0.00 175.55 176.57 3jxi s PHE 268 N -1.48 1.57 -0.16 -3.49 5.36 -1.26 -4.97 117.98 113.55 3jxi s PHE 268 Ca 0.36 0.61 -0.26 0.00 -0.96 0.00 0.00 56.93 56.68 3jxi s PHE 268 Cb -0.14 -4.05 -0.01 0.00 -0.34 0.00 0.00 43.02 38.48 3jxi s PHE 268 CO 0.19 -3.33 0.88 -0.47 -1.46 0.00 0.00 175.22 171.04 3jxi s TYR 269 N 7.48 3.43 -0.04 10.12 5.04 -1.26 -4.91 117.35 137.21 3jxi s TYR 269 Ca 0.87 1.34 0.06 0.00 -2.44 0.00 0.00 57.07 56.90 3jxi s TYR 269 Cb -0.26 -3.07 0.09 0.00 0.35 0.00 0.00 41.96 39.07 3jxi s TYR 269 CO 0.34 -0.25 0.97 1.97 -1.34 0.00 0.00 175.55 177.23 3jxi n PHE 270 N 5.26 0.00 -0.32 4.97 1.16 -1.26 -4.69 117.46 122.57 3jxi n PHE 270 Ca 0.06 -0.38 0.00 0.00 -1.87 0.00 0.00 57.45 55.26 3jxi n PHE 270 Cb 0.49 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 3jxi n PHE 270 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3jxi n GLY 271 N -0.52 0.82 4.84 4.97 0.00 -1.26 -3.50 105.19 110.54 3jxi n GLY 271 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3jxi n GLY 271 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jxi n GLU 272 N -2.32 0.00 -3.23 1.61 1.02 -1.26 -4.63 120.64 111.82 3jxi n GLU 272 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 3jxi n GLU 272 Cb 0.00 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 3jxi n GLU 272 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3jxi s LEU 273 N 0.00 3.99 0.33 -4.62 1.43 -1.26 -1.91 118.68 116.64 3jxi s LEU 273 Ca 0.00 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 3jxi s LEU 273 Cb 0.00 -3.59 0.63 0.00 0.03 0.00 0.00 46.19 43.26 3jxi s LEU 273 CO 0.00 -0.26 1.93 -0.65 0.23 0.00 0.00 176.35 177.60 3jxi h PRO 274 N 1.40 0.88 -0.20 1.29 0.11 -1.71 -0.31 132.00 133.46 3jxi h PRO 274 Ca -0.48 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 3jxi h PRO 274 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3jxi h PRO 274 CO 0.65 0.58 -0.42 1.25 -0.21 0.00 0.00 178.00 179.84 3jxi h LEU 275 N 0.90 0.71 -0.55 2.35 5.85 -1.95 -2.27 115.31 120.37 3jxi h LEU 275 Ca 0.35 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3jxi h LEU 275 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3jxi h LEU 275 CO -0.13 1.14 0.12 0.28 -0.34 0.00 0.00 178.44 179.52 3jxi h SER 276 N 0.32 0.84 -0.05 1.25 0.02 -1.72 -1.57 113.55 112.64 3jxi h SER 276 Ca 0.00 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3jxi h SER 276 Cb 1.03 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 3jxi h SER 276 CO 0.09 0.86 -0.14 0.25 -1.14 0.00 0.00 176.83 176.75 3jxi h LEU 277 N 0.78 -0.42 -1.44 5.07 5.85 -1.02 -0.30 115.31 123.83 3jxi h LEU 277 Ca 0.17 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3jxi h LEU 277 Cb 0.36 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3jxi h LEU 277 CO 0.00 -0.19 0.41 0.00 -0.34 0.00 0.00 178.44 178.32 3jxi h ALA 278 N 0.78 1.67 -0.03 1.25 0.00 -1.30 -0.52 119.26 121.10 3jxi h ALA 278 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jxi h ALA 278 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3jxi h ALA 278 CO -0.17 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 3jxi h ALA 279 N 1.64 0.05 0.00 0.00 0.00 -1.04 0.18 119.26 120.08 3jxi h ALA 279 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jxi h ALA 279 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3jxi h ALA 279 CO -0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 179.25 178.83 3jxi n THR 281 N -3.25 1.07 -3.02 0.00 -2.24 -0.23 -4.96 114.28 101.65 3jxi n THR 281 Ca 0.01 -0.86 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 3jxi n THR 281 Cb 0.43 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.99 3jxi n THR 281 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jxi n ASN 282 N 1.11 -2.10 -3.51 3.42 4.05 -1.00 -4.99 115.26 112.23 3jxi n ASN 282 Ca 0.20 -0.44 -0.28 0.00 0.45 0.00 0.00 54.58 54.52 3jxi n ASN 282 Cb 0.60 -3.77 -0.08 0.00 1.23 0.00 0.00 39.78 37.76 3jxi n ASN 282 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3jxi n GLN 283 N -3.22 2.47 -0.31 1.20 6.02 0.62 -4.94 117.38 119.23 3jxi n GLN 283 Ca -0.20 -4.65 0.17 0.00 -0.01 0.00 0.00 57.00 52.31 3jxi n GLN 283 Cb 0.62 -2.27 0.42 0.00 1.02 0.00 0.00 30.24 30.03 3jxi n GLN 283 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3jxi h PRO 284 N 4.40 0.56 -0.34 -1.09 0.13 -1.94 -0.97 132.00 132.76 3jxi h PRO 284 Ca 0.19 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.15 3jxi h PRO 284 Cb 0.67 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3jxi h PRO 284 CO 0.83 0.37 -0.36 0.45 -0.23 0.00 0.00 178.00 179.07 3jxi h HIS 285 N 0.58 0.91 0.00 1.56 3.86 -1.96 0.81 115.15 120.92 3jxi h HIS 285 Ca 0.53 -0.26 -0.19 0.00 -1.16 0.00 0.00 60.37 59.30 3jxi h HIS 285 Cb 1.08 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 3jxi h HIS 285 CO -0.00 1.02 -0.86 -0.84 0.86 0.00 0.00 177.93 178.11 3jxi h ILE 286 N 0.64 1.55 -0.78 2.45 -0.00 -1.77 -0.33 117.51 119.27 3jxi h ILE 286 Ca 0.06 -2.75 0.04 0.00 -0.00 0.00 0.00 64.86 62.22 3jxi h ILE 286 Cb 0.90 2.51 -0.05 0.00 -0.00 0.00 0.00 36.82 40.18 3jxi h ILE 286 CO 0.08 0.79 0.48 0.58 -0.00 0.00 0.00 178.15 180.08 3jxi h VAL 287 N 0.05 1.07 0.70 0.16 2.07 -0.88 -0.67 116.25 118.75 3jxi h VAL 287 Ca -0.03 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3jxi h VAL 287 Cb 1.49 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3jxi h VAL 287 CO 0.12 0.17 -0.34 0.45 0.02 0.00 0.00 177.57 177.99 3jxi h HIS 288 N 0.91 -0.88 -0.69 1.57 3.86 -0.64 -2.26 115.15 117.01 3jxi h HIS 288 Ca 0.32 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.65 3jxi h HIS 288 Cb 0.09 0.29 -0.10 0.00 1.06 0.00 0.00 27.41 28.75 3jxi h HIS 288 CO -0.04 -0.52 0.18 -0.92 0.86 0.00 0.00 177.93 177.49 3jxi h TYR 289 N -1.08 0.28 -0.43 2.45 3.20 -0.92 0.12 116.97 120.59 3jxi h TYR 289 Ca -0.10 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 3jxi h TYR 289 Cb 0.75 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3jxi h TYR 289 CO -0.01 -0.05 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.23 3jxi h LEU 290 N 0.29 0.83 0.00 2.82 3.38 -1.04 0.14 115.31 121.74 3jxi h LEU 290 Ca 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jxi h LEU 290 Cb 0.61 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3jxi h LEU 290 CO -0.46 1.00 -0.73 0.71 0.09 0.00 0.00 178.44 179.04 3jxi h THR 291 N 0.73 0.00 0.00 0.22 1.35 -1.10 0.86 112.91 114.96 3jxi h THR 291 Ca 0.11 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3jxi h THR 291 Cb 0.68 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3jxi h THR 291 CO 0.05 0.00 -1.13 -0.62 -0.25 0.00 0.00 175.52 173.58 3jxi n GLU 292 N -2.49 1.20 -1.04 4.72 1.02 0.40 -4.81 120.64 119.64 3jxi n GLU 292 Ca 0.02 -0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.77 3jxi n GLU 292 Cb 0.50 -1.11 0.12 0.00 -0.02 0.00 0.00 31.44 30.94 3jxi n GLU 292 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3jxi n ASN 293 N -1.63 0.21 -0.14 1.62 0.23 0.48 -4.93 115.26 111.09 3jxi n ASN 293 Ca -0.01 0.53 0.15 0.00 -0.53 0.00 0.00 54.58 54.72 3jxi n ASN 293 Cb 0.18 -1.42 0.69 0.00 -2.08 0.00 0.00 39.78 37.15 3jxi n ASN 293 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jxi n GLY 294 N 0.81 -0.82 0.14 4.83 0.00 -1.26 -4.26 105.19 104.63 3jxi n GLY 294 Ca 0.12 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3jxi n GLY 294 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3jxi n HIS 295 N -0.80 0.00 -3.24 1.61 -0.00 -1.26 -5.02 115.22 106.52 3jxi n HIS 295 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.93 3jxi n HIS 295 Cb 0.25 -0.94 -0.03 0.00 -0.00 0.00 0.00 29.99 29.27 3jxi n HIS 295 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 3jxi s LYS 296 N -2.48 0.14 -0.10 1.57 2.47 -1.26 -5.08 119.74 115.00 3jxi s LYS 296 Ca -0.34 0.33 -0.05 0.00 -1.56 0.00 0.00 55.97 54.35 3jxi s LYS 296 Cb 0.10 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 3jxi s LYS 296 CO 0.53 -0.08 0.09 -0.65 0.16 0.00 0.00 175.35 175.40 3jxi s GLN 297 N 2.45 3.24 0.29 4.03 -0.21 -1.26 -4.84 119.66 123.36 3jxi s GLN 297 Ca -0.02 -0.26 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 3jxi s GLN 297 Cb -0.05 -3.02 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 3jxi s GLN 297 CO -0.15 0.74 1.20 0.00 -2.12 0.00 0.00 175.29 174.96 3jxi s ALA 298 N -0.99 3.45 -0.32 6.09 0.00 0.29 -4.98 121.76 125.31 3jxi s ALA 298 Ca 0.15 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 3jxi s ALA 298 Cb -0.12 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3jxi s ALA 298 CO 0.04 -0.39 0.60 0.34 0.00 0.00 0.00 175.76 176.36 3jxi s ASP 299 N -0.61 6.45 0.40 0.00 2.15 -1.26 -4.47 116.67 119.33 3jxi s ASP 299 Ca 0.47 0.33 0.20 0.00 0.43 0.00 0.00 52.55 53.97 3jxi s ASP 299 Cb -0.35 -2.32 1.14 0.00 -0.30 0.00 0.00 42.92 41.09 3jxi s ASP 299 CO 0.46 -0.48 1.74 -0.07 -0.17 0.00 0.00 175.17 176.65 3jxi h LEU 300 N 9.14 0.43 -0.54 -1.34 3.38 -1.98 -2.27 115.31 122.13 3jxi h LEU 300 Ca -0.27 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3jxi h LEU 300 Cb 1.12 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3jxi h LEU 300 CO 0.79 0.03 -0.02 0.54 0.09 0.00 0.00 178.44 179.88 3jxi n ARG 301 N -4.67 1.31 -2.08 1.13 1.74 -1.26 -4.42 116.66 108.41 3jxi n ARG 301 Ca 0.28 -0.54 -0.40 0.00 -0.77 0.00 0.00 57.85 56.41 3jxi n ARG 301 Cb 0.97 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.90 3jxi n ARG 301 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3jxi s ARG 302 N -2.06 4.24 0.04 5.56 6.06 -0.86 -4.92 118.95 127.02 3jxi s ARG 302 Ca 0.40 2.23 0.09 0.00 -2.50 0.00 0.00 55.73 55.95 3jxi s ARG 302 Cb 0.21 -2.98 -0.03 0.00 0.06 0.00 0.00 34.95 32.21 3jxi s ARG 302 CO 0.37 -0.29 -0.25 -0.65 -2.50 0.00 0.00 175.30 171.98 3jxi s GLN 303 N -1.93 1.88 0.00 5.12 -0.21 -1.26 -4.16 119.66 119.10 3jxi s GLN 303 Ca 0.51 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.82 3jxi s GLN 303 Cb -0.40 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.58 3jxi s GLN 303 CO 0.53 0.52 0.00 -0.40 -2.12 0.00 0.00 175.29 173.82 3jxi n ASP 304 N 1.77 0.00 0.25 5.90 5.75 -0.43 -4.83 116.55 124.96 3jxi n ASP 304 Ca -0.17 -0.79 0.17 0.00 -0.01 0.00 0.00 54.79 54.00 3jxi n ASP 304 Cb 0.52 0.00 0.85 0.00 -1.03 0.00 0.00 41.12 41.45 3jxi n ASP 304 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3jxi h SER 305 N 0.00 0.00 -0.00 -1.12 4.64 -1.90 0.35 113.55 115.51 3jxi h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jxi h SER 305 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jxi h SER 305 CO 0.00 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 176.47 3jxi n ARG 306 N -2.76 1.81 -1.12 4.77 1.74 -1.26 -4.94 116.66 114.89 3jxi n ARG 306 Ca -0.01 -1.23 -0.04 0.00 -0.77 0.00 0.00 57.85 55.80 3jxi n ARG 306 Cb 0.14 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3jxi n ARG 306 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jxi n GLY 307 N 1.25 0.70 3.71 -0.13 0.00 0.12 -1.79 105.19 109.05 3jxi n GLY 307 Ca 0.17 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3jxi n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jxi s ASN 308 N -2.90 6.68 0.83 1.61 0.01 -1.26 -3.53 114.94 116.38 3jxi s ASN 308 Ca 0.00 0.81 -0.10 0.00 -0.71 0.00 0.00 52.86 52.86 3jxi s ASN 308 Cb 0.00 -2.29 0.14 0.00 0.41 0.00 0.00 41.25 39.51 3jxi s ASN 308 CO 0.00 -0.03 1.15 0.42 -1.51 0.00 0.00 177.10 177.14 3jxi s THR 309 N 0.76 2.10 0.44 1.60 -4.23 -1.26 -1.31 115.64 113.74 3jxi s THR 309 Ca 0.26 -0.21 0.17 0.00 -1.18 0.00 0.00 61.69 60.73 3jxi s THR 309 Cb -0.15 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 71.17 3jxi s THR 309 CO 0.10 0.00 1.93 1.62 -0.54 0.00 0.00 174.62 177.73 3jxi h VAL 310 N -1.06 0.78 -0.26 2.29 3.04 -1.77 -1.26 116.25 118.01 3jxi h VAL 310 Ca -0.43 -0.12 -0.17 0.00 -1.01 0.00 0.00 66.70 64.97 3jxi h VAL 310 Cb 1.27 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 3jxi h VAL 310 CO 0.46 0.07 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.50 3jxi h LEU 311 N 0.36 0.82 -0.76 3.16 3.38 -1.93 -1.60 115.31 118.74 3jxi h LEU 311 Ca 0.36 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3jxi h LEU 311 Cb 0.90 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3jxi h LEU 311 CO -0.11 1.18 0.17 0.45 0.09 0.00 0.00 178.44 180.23 3jxi h HIS 312 N 0.57 1.16 -0.90 1.13 3.86 -1.75 -2.80 115.15 116.42 3jxi h HIS 312 Ca 0.02 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3jxi h HIS 312 Cb 1.09 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 3jxi h HIS 312 CO 0.06 0.94 0.59 0.00 0.86 0.00 0.00 177.93 180.38 3jxi h ALA 313 N 1.12 1.15 -0.61 2.45 0.00 -0.75 -0.63 119.26 122.00 3jxi h ALA 313 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3jxi h ALA 313 Cb 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3jxi h ALA 313 CO 0.00 0.56 0.08 -0.07 0.00 0.00 0.00 179.25 179.82 3jxi h LEU 314 N 1.23 0.96 -0.18 0.00 3.38 -1.22 -1.31 115.31 118.17 3jxi h LEU 314 Ca 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jxi h LEU 314 Cb -0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3jxi h LEU 314 CO -0.07 0.97 0.10 0.58 0.09 0.00 0.00 178.44 180.11 3jxi h VAL 315 N 0.94 1.08 -0.63 1.22 2.07 -1.20 0.17 116.25 119.91 3jxi h VAL 315 Ca 0.18 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.62 3jxi h VAL 315 Cb 0.44 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 3jxi h VAL 315 CO 0.01 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.71 3jxi h ALA 316 N 1.01 0.65 0.00 1.67 0.00 -0.71 -1.88 119.26 120.00 3jxi h ALA 316 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jxi h ALA 316 Cb 0.04 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3jxi h ALA 316 CO -0.01 -0.38 -0.22 0.44 0.00 0.00 0.00 179.25 179.08 3jxi n ILE 317 N -5.26 0.13 -1.68 0.00 -5.35 -0.53 -4.83 119.36 101.84 3jxi n ILE 317 Ca 0.09 -0.08 -0.44 0.00 -0.27 0.00 0.00 62.75 62.06 3jxi n ILE 317 Cb 0.36 -0.26 -0.04 0.00 -1.74 0.00 0.00 39.64 37.97 3jxi n ILE 317 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jxi n ALA 318 N -1.58 1.70 -4.21 -1.28 0.00 0.04 -4.99 120.51 110.18 3jxi n ALA 318 Ca 0.06 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 3jxi n ALA 318 Cb 0.36 -2.55 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 3jxi n ALA 318 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3jxi n ASP 319 N 5.83 2.96 -1.77 0.00 5.68 -1.26 -4.97 116.55 123.02 3jxi n ASP 319 Ca 0.19 -2.95 -0.06 0.00 -0.50 0.00 0.00 54.79 51.47 3jxi n ASP 319 Cb 0.35 0.11 0.27 0.00 -1.14 0.00 0.00 41.12 40.71 3jxi n ASP 319 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jxi n ASN 320 N -1.63 4.24 -4.81 -1.12 3.02 -1.26 -4.50 115.26 109.20 3jxi n ASN 320 Ca -0.09 -3.33 -0.36 0.00 -0.03 0.00 0.00 54.58 50.77 3jxi n ASN 320 Cb 0.61 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 3jxi n ASN 320 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3jxi s THR 321 N -3.06 4.47 0.27 3.41 -4.23 -1.26 -4.91 115.64 110.34 3jxi s THR 321 Ca 0.52 1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 62.42 3jxi s THR 321 Cb 0.43 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.72 3jxi s THR 321 CO 0.11 0.11 1.63 -0.09 -0.54 0.00 0.00 174.62 175.84 3jxi h ARG 322 N 3.12 0.14 0.14 3.99 2.43 -1.99 -0.23 114.38 121.98 3jxi h ARG 322 Ca -0.48 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.40 3jxi h ARG 322 Cb 1.19 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3jxi h ARG 322 CO 0.65 0.09 -1.26 1.49 -1.51 0.00 0.00 179.97 179.43 3jxi h GLU 323 N 0.14 0.45 -0.40 0.20 4.57 -1.98 -2.01 114.58 115.55 3jxi h GLU 323 Ca 0.49 -0.67 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3jxi h GLU 323 Cb 0.92 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3jxi h GLU 323 CO -0.68 1.30 0.11 -0.97 -1.18 0.00 0.00 179.01 177.59 3jxi h ASN 324 N 0.16 0.59 -0.57 1.04 -0.73 -1.79 -2.81 115.58 111.48 3jxi h ASN 324 Ca -0.17 -0.22 -0.01 0.00 1.87 0.00 0.00 56.30 57.77 3jxi h ASN 324 Cb 1.95 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 40.36 3jxi h ASN 324 CO 0.23 0.65 0.30 0.74 -0.37 0.00 0.00 177.43 178.98 3jxi h THR 325 N 0.50 1.19 -0.19 -3.57 2.02 -1.03 0.19 112.91 112.01 3jxi h THR 325 Ca 0.13 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3jxi h THR 325 Cb 0.28 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3jxi h THR 325 CO -0.00 0.21 -0.39 0.50 0.37 0.00 0.00 175.52 176.21 3jxi h LYS 326 N 0.76 -0.41 0.14 6.66 3.64 -1.31 -1.56 116.57 124.49 3jxi h LYS 326 Ca 0.20 0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.31 3jxi h LYS 326 Cb 0.06 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3jxi h LYS 326 CO -0.03 -0.27 -1.27 0.27 -2.27 0.00 0.00 179.45 175.88 3jxi h PHE 327 N -0.43 0.82 -0.22 1.91 -0.00 -1.25 -2.21 116.94 115.56 3jxi h PHE 327 Ca 0.10 -0.55 0.04 0.00 -0.00 0.00 0.00 57.97 57.56 3jxi h PHE 327 Cb 0.59 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.95 36.45 3jxi h PHE 327 CO -0.49 1.41 -0.05 0.28 -0.00 0.00 0.00 178.31 179.45 3jxi h VAL 328 N 0.19 0.78 -0.08 0.88 2.07 -0.95 -1.24 116.25 117.90 3jxi h VAL 328 Ca -0.18 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3jxi h VAL 328 Cb 1.95 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3jxi h VAL 328 CO 0.23 0.00 -0.14 0.74 0.02 0.00 0.00 177.57 178.42 3jxi h THR 329 N 0.00 0.63 -0.76 2.57 2.02 -1.32 0.22 112.91 116.27 3jxi h THR 329 Ca 0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3jxi h THR 329 Cb 0.16 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3jxi h THR 329 CO -0.23 0.00 0.48 0.11 0.37 0.00 0.00 175.52 176.25 3jxi h LYS 330 N -0.20 0.91 -0.07 6.66 1.57 -1.23 -2.47 116.57 121.75 3jxi h LYS 330 Ca 0.08 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3jxi h LYS 330 Cb 0.30 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.42 3jxi h LYS 330 CO -0.20 0.60 -0.51 1.98 -0.57 0.00 0.00 179.45 180.75 3jxi h MET 331 N 0.93 0.46 -0.22 3.15 4.05 -0.96 -1.80 114.93 120.55 3jxi h MET 331 Ca 0.31 -0.41 0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3jxi h MET 331 Cb 0.03 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.86 3jxi h MET 331 CO -0.12 1.05 -0.23 -0.92 0.23 0.00 0.00 176.91 176.92 3jxi h TYR 332 N 0.01 -0.61 -0.72 1.39 5.03 -0.53 -2.16 116.97 119.38 3jxi h TYR 332 Ca -0.05 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 3jxi h TYR 332 Cb 1.18 0.30 -0.03 0.00 1.55 0.00 0.00 36.73 39.73 3jxi h TYR 332 CO 0.13 -0.31 0.25 -0.44 -1.32 0.00 0.00 178.16 176.46 3jxi h ASP 333 N -0.25 1.04 -0.25 -2.11 3.32 -1.47 -1.70 116.42 115.00 3jxi h ASP 333 Ca 0.13 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.04 3jxi h ASP 333 Cb 0.44 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 3jxi h ASP 333 CO -0.36 0.96 -0.32 0.25 -1.72 0.00 0.00 179.24 178.05 3jxi h LEU 334 N 1.06 -1.02 -0.35 1.55 6.46 -1.07 -1.30 115.31 120.64 3jxi h LEU 334 Ca 0.24 0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 58.02 3jxi h LEU 334 Cb 0.28 0.46 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3jxi h LEU 334 CO -0.01 -0.34 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.09 3jxi h LEU 335 N -0.32 0.89 -0.27 2.25 3.38 -1.22 -1.21 115.31 118.82 3jxi h LEU 335 Ca 0.13 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3jxi h LEU 335 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3jxi h LEU 335 CO -0.43 1.16 0.17 0.25 0.09 0.00 0.00 178.44 179.68 3jxi h LEU 336 N 0.63 0.31 -0.19 1.67 6.46 -1.23 -0.51 115.31 122.45 3jxi h LEU 336 Ca 0.06 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 3jxi h LEU 336 Cb 0.90 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 3jxi h LEU 336 CO 0.08 0.24 -0.03 0.40 -0.62 0.00 0.00 178.44 178.52 3jxi h ILE 337 N 0.35 1.27 -0.83 4.05 2.04 -1.13 -1.64 117.51 121.63 3jxi h ILE 337 Ca 0.10 -0.95 0.11 0.00 1.00 0.00 0.00 64.86 65.11 3jxi h ILE 337 Cb -0.02 1.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3jxi h ILE 337 CO -0.02 0.29 0.47 0.50 0.00 0.00 0.00 178.15 179.38 3jxi h LYS 338 N 0.07 0.74 -0.51 2.37 3.64 -1.15 -1.61 116.57 120.11 3jxi h LYS 338 Ca 0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3jxi h LYS 338 Cb 0.45 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3jxi h LYS 338 CO 0.01 0.49 0.17 0.00 -2.27 0.00 0.00 179.45 177.85 3jxi h ALA 340 N 1.03 1.46 0.63 0.00 0.00 -0.95 0.52 119.26 121.96 3jxi h ALA 340 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3jxi h ALA 340 Cb 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3jxi h ALA 340 CO -0.01 0.38 -0.30 -0.22 0.00 0.00 0.00 179.25 179.10 3jxi h LYS 341 N 0.38 -0.82 -0.62 0.00 3.64 -0.97 -2.90 116.57 115.28 3jxi h LYS 341 Ca 0.08 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3jxi h LYS 341 Cb 0.32 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3jxi h LYS 341 CO 0.01 -0.55 0.32 -0.07 -2.27 0.00 0.00 179.45 176.90 3jxi h LEU 342 N -0.97 0.45 -6.73 5.20 4.07 -1.04 -3.37 115.31 112.91 3jxi h LEU 342 Ca -0.09 0.04 -0.60 0.00 0.08 0.00 0.00 57.88 57.31 3jxi h LEU 342 Cb 0.65 -0.04 -0.40 0.00 1.08 0.00 0.00 40.66 41.95 3jxi h LEU 342 CO 0.14 0.29 -0.79 -0.36 -1.08 0.00 0.00 178.44 176.64 3jxi s PHE 343 N -6.10 2.01 0.41 1.13 0.08 0.18 -4.96 117.98 110.73 3jxi s PHE 343 Ca -0.13 -2.61 0.40 0.00 0.12 0.00 0.00 56.93 54.71 3jxi s PHE 343 Cb 0.16 -1.67 1.98 0.00 -0.57 0.00 0.00 43.02 42.92 3jxi s PHE 343 CO 0.75 -0.73 2.20 -1.35 -0.10 0.00 0.00 175.22 175.99 3jxi h PRO 344 N 5.90 0.00 0.00 0.24 0.11 -1.69 -1.80 132.00 134.76 3jxi h PRO 344 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3jxi h PRO 344 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3jxi h PRO 344 CO 0.49 0.00 -0.29 -0.40 -0.21 0.00 0.00 178.00 177.60 3jxi n ASP 345 N -3.06 0.56 -4.26 -2.05 5.68 -1.26 -4.82 116.55 107.33 3jxi n ASP 345 Ca -0.01 0.27 -0.32 0.00 -0.50 0.00 0.00 54.79 54.23 3jxi n ASP 345 Cb 0.16 -0.25 -0.16 0.00 -1.14 0.00 0.00 41.12 39.73 3jxi n ASP 345 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3jxi s THR 346 N -3.08 2.08 -0.40 2.12 -4.23 -0.68 -5.10 115.64 106.35 3jxi s THR 346 Ca 0.10 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 3jxi s THR 346 Cb 0.15 -1.76 0.03 0.00 1.34 0.00 0.00 72.50 72.27 3jxi s THR 346 CO 0.64 0.57 0.27 0.21 -0.54 0.00 0.00 174.62 175.77 3jxi s ASN 347 N -0.09 5.92 0.37 3.99 3.04 -1.26 -4.51 114.94 122.39 3jxi s ASN 347 Ca -0.06 -1.03 0.05 0.00 0.04 0.00 0.00 52.86 51.85 3jxi s ASN 347 Cb -0.14 -2.09 0.70 0.00 -1.54 0.00 0.00 41.25 38.18 3jxi s ASN 347 CO 0.04 -0.45 1.98 0.25 -3.04 0.00 0.00 177.10 175.89 3jxi h LEU 348 N 8.54 0.56 -1.07 3.21 5.85 -1.94 -1.16 115.31 129.30 3jxi h LEU 348 Ca -0.26 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3jxi h LEU 348 Cb 1.11 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3jxi h LEU 348 CO 0.72 0.47 0.00 -0.33 -0.34 0.00 0.00 178.44 178.97 3jxi h GLU 349 N 0.64 0.00 0.00 1.25 5.08 -1.96 -3.07 114.58 116.52 3jxi h GLU 349 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3jxi h GLU 349 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3jxi h GLU 349 CO -0.02 0.00 -0.79 0.00 -1.00 0.00 0.00 179.01 177.20 3jxi h ALA 350 N 2.15 0.61 -2.66 3.43 0.00 -1.64 -3.38 119.26 117.78 3jxi h ALA 350 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3jxi h ALA 350 Cb 0.24 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.07 3jxi h ALA 350 CO 0.00 0.01 0.69 -0.51 0.00 0.00 0.00 179.25 179.45 3jxi s LEU 351 N -5.55 4.40 -0.07 0.00 1.43 -1.16 -4.85 118.68 112.87 3jxi s LEU 351 Ca 0.01 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 3jxi s LEU 351 Cb 0.09 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3jxi s LEU 351 CO 0.76 -0.60 0.04 -0.76 0.23 0.00 0.00 176.35 176.03 3jxi s LEU 352 N 0.15 3.76 0.00 1.79 1.43 -1.26 -4.52 118.68 120.03 3jxi s LEU 352 Ca 0.59 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 3jxi s LEU 352 Cb -0.38 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.01 3jxi s LEU 352 CO 0.37 0.36 0.78 -0.46 0.23 0.00 0.00 176.35 177.62 3jxi n ASN 353 N 1.89 0.47 0.00 2.29 0.23 0.01 -4.84 115.26 115.31 3jxi n ASN 353 Ca -0.18 -1.53 0.10 0.00 -0.53 0.00 0.00 54.58 52.44 3jxi n ASN 353 Cb 0.54 -0.56 0.55 0.00 -2.08 0.00 0.00 39.78 38.23 3jxi n ASN 353 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3jxi n ASN 354 N -3.26 0.00 -0.61 0.53 5.03 -0.74 -0.09 115.26 116.12 3jxi n ASN 354 Ca 0.11 -0.35 0.13 0.00 0.87 0.00 0.00 54.58 55.34 3jxi n ASN 354 Cb 0.39 -0.13 0.41 0.00 -1.02 0.00 0.00 39.78 39.43 3jxi n ASN 354 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3jxi n ASP 355 N -1.13 1.90 -0.38 6.41 8.00 -1.26 -4.96 116.55 125.14 3jxi n ASP 355 Ca 0.13 -1.64 -0.05 0.00 0.71 0.00 0.00 54.79 53.94 3jxi n ASP 355 Cb 0.11 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3jxi n ASP 355 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jxi n GLY 356 N 1.22 0.71 3.57 0.44 0.00 0.87 -5.03 105.19 106.98 3jxi n GLY 356 Ca 0.18 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3jxi n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jxi s LEU 357 N -1.11 3.16 0.74 0.99 1.43 -1.25 -4.82 118.68 117.83 3jxi s LEU 357 Ca 0.00 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3jxi s LEU 357 Cb 0.00 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3jxi s LEU 357 CO 0.00 0.35 1.10 -0.94 0.23 0.00 0.00 176.35 177.09 3jxi s SER 358 N -0.71 4.97 0.15 2.29 1.04 -1.26 -0.81 113.70 119.37 3jxi s SER 358 Ca 0.11 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 3jxi s SER 358 Cb -0.11 -1.51 0.03 0.00 0.10 0.00 0.00 66.02 64.52 3jxi s SER 358 CO 0.02 -1.60 1.79 -0.65 0.98 0.00 0.00 173.24 173.78 3jxi h PRO 359 N -0.78 0.44 -0.41 4.02 0.11 -1.80 -0.19 132.00 133.40 3jxi h PRO 359 Ca -0.45 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3jxi h PRO 359 Cb 1.30 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3jxi h PRO 359 CO 0.64 0.29 -0.08 1.25 -0.21 0.00 0.00 178.00 179.89 3jxi h LEU 360 N 0.45 -0.33 -0.45 2.35 5.85 -1.95 0.23 115.31 121.46 3jxi h LEU 360 Ca 0.15 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 3jxi h LEU 360 Cb 0.01 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3jxi h LEU 360 CO -0.07 -0.12 -0.61 0.24 -0.34 0.00 0.00 178.44 177.54 3jxi h MET 361 N 0.02 0.00 -0.23 1.25 2.86 -1.87 -0.99 114.93 115.97 3jxi h MET 361 Ca 0.20 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3jxi h MET 361 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3jxi h MET 361 CO -0.40 0.61 -0.04 1.98 1.06 0.00 0.00 176.91 180.12 3jxi h MET 362 N 0.00 0.43 -0.67 1.72 1.85 -0.82 -1.00 114.93 116.44 3jxi h MET 362 Ca -0.01 -0.16 0.11 0.00 -0.61 0.00 0.00 59.70 59.03 3jxi h MET 362 Cb 1.27 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 33.19 3jxi h MET 362 CO 0.08 0.65 0.27 0.00 -0.40 0.00 0.00 176.91 177.51 3jxi h ALA 363 N 0.77 0.90 -0.12 0.39 0.00 -0.68 -0.04 119.26 120.47 3jxi h ALA 363 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3jxi h ALA 363 Cb 0.48 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3jxi h ALA 363 CO 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.16 3jxi h ALA 364 N 1.46 0.15 -0.43 0.00 0.00 -1.06 -0.56 119.26 118.83 3jxi h ALA 364 Ca 0.35 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3jxi h ALA 364 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3jxi h ALA 364 CO -0.33 -0.33 -0.16 -0.22 0.00 0.00 0.00 179.25 178.21 3jxi h LYS 365 N 0.11 0.82 -0.44 0.00 3.64 -0.64 -2.96 116.57 117.09 3jxi h LYS 365 Ca 0.04 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3jxi h LYS 365 Cb 0.05 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3jxi h LYS 365 CO -0.01 0.92 0.00 0.25 -2.27 0.00 0.00 179.45 178.35 3jxi n THR 366 N -4.14 0.59 -2.34 1.00 -2.24 -0.08 -4.96 114.28 102.11 3jxi n THR 366 Ca 0.01 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 3jxi n THR 366 Cb 0.40 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3jxi n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 367 N 1.29 0.01 3.25 3.38 0.00 -0.84 -4.96 105.19 107.31 3jxi n GLY 367 Ca 0.17 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 3jxi n GLY 367 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxi n LYS 368 N -2.09 3.61 -0.08 1.61 4.76 -0.28 -4.86 118.16 120.84 3jxi n LYS 368 Ca -0.10 -4.03 -0.09 0.00 -2.87 0.00 0.00 58.31 51.22 3jxi n LYS 368 Cb 0.58 -2.82 -0.02 0.00 -1.84 0.00 0.00 35.03 30.93 3jxi n LYS 368 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3jxi h ILE 369 N 4.04 1.09 -0.20 -0.18 2.04 -1.93 -1.78 117.51 120.59 3jxi h ILE 369 Ca 0.28 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3jxi h ILE 369 Cb 0.79 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3jxi h ILE 369 CO 1.28 0.09 -0.05 1.23 0.00 0.00 0.00 178.15 180.70 3jxi h GLY 370 N 0.39 0.14 1.17 5.37 0.00 -1.89 0.47 103.07 108.72 3jxi h GLY 370 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.30 3jxi h GLY 370 CO -0.02 -0.07 -0.66 1.19 0.00 0.00 0.00 176.54 176.97 3jxi h ILE 371 N 0.00 1.27 -0.14 2.60 6.09 -1.90 -2.63 117.51 122.80 3jxi h ILE 371 Ca 0.10 -1.85 0.04 0.00 -1.37 0.00 0.00 64.86 61.78 3jxi h ILE 371 Cb 0.14 1.80 -0.05 0.00 0.47 0.00 0.00 36.82 39.18 3jxi h ILE 371 CO -0.20 0.60 -0.16 0.15 -3.07 0.00 0.00 178.15 175.46 3jxi h PHE 372 N 0.61 -0.41 -0.31 2.19 3.57 -0.96 -0.09 116.94 121.55 3jxi h PHE 372 Ca -0.02 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3jxi h PHE 372 Cb 1.28 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3jxi h PHE 372 CO 0.08 -0.23 -0.14 1.96 -2.23 0.00 0.00 178.31 177.75 3jxi h GLN 373 N -0.20 0.54 -0.39 1.11 4.20 -0.97 -1.68 115.11 117.72 3jxi h GLN 373 Ca 0.10 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3jxi h GLN 373 Cb 0.34 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3jxi h GLN 373 CO -0.25 0.67 -0.15 1.25 -0.67 0.00 0.00 178.83 179.67 3jxi h HIS 374 N 0.50 0.79 -0.16 2.96 2.76 -1.03 -1.07 115.15 119.90 3jxi h HIS 374 Ca 0.09 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 3jxi h HIS 374 Cb 0.53 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 3jxi h HIS 374 CO 0.02 0.82 -0.15 0.82 -1.30 0.00 0.00 177.93 178.14 3jxi h ILE 375 N 0.64 1.34 -0.20 6.26 2.04 -0.52 -1.33 117.51 125.75 3jxi h ILE 375 Ca 0.10 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.70 3jxi h ILE 375 Cb 0.62 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3jxi h ILE 375 CO 0.04 0.39 -0.12 0.40 0.00 0.00 0.00 178.15 178.86 3jxi h ILE 376 N 0.02 0.64 -0.81 -0.67 1.08 -1.28 0.23 117.51 116.72 3jxi h ILE 376 Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3jxi h ILE 376 Cb 0.68 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 3jxi h ILE 376 CO 0.04 0.00 0.52 0.03 -0.69 0.00 0.00 178.15 178.05 3jxi h ARG 377 N -0.11 0.98 -0.32 2.37 3.08 -1.14 -1.90 114.38 117.34 3jxi h ARG 377 Ca 0.11 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3jxi h ARG 377 Cb 0.28 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3jxi h ARG 377 CO -0.27 0.65 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.92 3jxi h ARG 378 N 1.01 0.75 -0.77 0.04 1.12 -0.71 -1.24 114.38 114.58 3jxi h ARG 378 Ca 0.32 -0.37 0.08 0.00 -1.11 0.00 0.00 59.98 58.90 3jxi h ARG 378 Cb 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 29.91 3jxi h ARG 378 CO -0.11 0.99 0.42 0.93 -3.11 0.00 0.00 179.97 179.10 3jxi h GLU 379 N 0.51 0.71 -0.53 0.20 5.08 -0.36 0.76 114.58 120.94 3jxi h GLU 379 Ca 0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3jxi h GLU 379 Cb 0.83 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3jxi h GLU 379 CO 0.07 0.47 0.08 0.82 -1.00 0.00 0.00 179.01 179.45 3jxi h ILE 380 N 0.73 1.25 -0.76 3.13 2.04 -1.18 -2.06 117.51 120.66 3jxi h ILE 380 Ca 0.36 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3jxi h ILE 380 Cb 0.32 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3jxi h ILE 380 CO -0.23 0.35 0.29 0.00 0.00 0.00 0.00 178.15 178.55 3jxi h ALA 381 N 0.98 1.07 -0.02 1.87 0.00 -0.62 -1.17 119.26 121.38 3jxi h ALA 381 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jxi h ALA 381 Cb 0.41 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jxi h ALA 381 CO 0.01 0.65 0.00 -0.44 0.00 0.00 0.00 179.25 179.47 3jxi h ASP 382 N 1.12 0.03 -0.59 0.00 3.45 -0.78 -0.27 116.42 119.38 3jxi h ASP 382 Ca 0.25 -0.31 0.12 0.00 0.43 0.00 0.00 57.03 57.52 3jxi h ASP 382 Cb 0.24 -0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 38.90 3jxi h ASP 382 CO -0.02 0.33 0.03 0.00 -1.57 0.00 0.00 179.24 178.01 3jxi h ALA 383 N 0.70 0.60 -0.49 3.45 0.00 -1.32 -2.54 119.26 119.66 3jxi h ALA 383 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3jxi h ALA 383 Cb 0.31 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3jxi h ALA 383 CO 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 179.25 178.98 3jxi h ALA 384 N 1.52 1.26 -0.95 0.00 0.00 -1.03 -2.48 119.26 117.56 3jxi h ALA 384 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3jxi h ALA 384 Cb 0.48 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3jxi h ALA 384 CO -0.48 0.51 0.63 0.00 0.00 0.00 0.00 179.25 179.92 3jxi h ALA 385 N 1.38 1.23 -0.39 0.00 0.00 -0.62 -2.67 119.26 118.19 3jxi h ALA 385 Ca 0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3jxi h ALA 385 Cb 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3jxi h ALA 385 CO 0.00 0.56 -0.37 0.45 0.00 0.00 0.00 179.25 179.89 3jxi h HIS 386 N 1.26 1.13 -0.02 0.00 3.86 -1.29 -3.51 115.15 116.58 3jxi h HIS 386 Ca 0.36 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3jxi h HIS 386 Cb -0.09 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.14 3jxi h HIS 386 CO -0.01 1.17 0.00 0.72 0.86 0.00 0.00 177.93 180.67