#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjx s ALA 120 N 0.00 3.69 0.90 0.00 0.00 -1.26 -4.70 121.76 120.39 1bjx s ALA 120 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 1bjx s ALA 120 Cb 0.00 -1.46 0.13 0.00 0.00 0.00 0.00 23.12 21.79 1bjx s ALA 120 CO 0.00 0.36 1.13 -0.08 0.00 0.00 0.00 175.76 177.17 1bjx s THR 121 N -1.94 2.15 -0.26 0.00 -1.32 0.41 -4.65 115.64 110.03 1bjx s THR 121 Ca 0.33 0.05 -0.10 0.00 -1.21 0.00 0.00 61.69 60.76 1bjx s THR 121 Cb -0.09 -2.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1bjx s THR 121 CO 0.26 -0.07 0.15 -0.89 -2.21 0.00 0.00 174.62 171.86 1bjx s THR 122 N -3.24 5.05 -0.29 5.08 2.01 -1.26 -0.94 115.64 122.05 1bjx s THR 122 Ca 0.63 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.61 1bjx s THR 122 Cb -0.15 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1bjx s THR 122 CO 0.54 0.30 0.16 -0.76 -0.69 0.00 0.00 174.62 174.17 1bjx s LEU 123 N 1.54 3.99 0.45 4.42 1.43 -1.17 -4.95 118.68 124.39 1bjx s LEU 123 Ca 0.07 -0.23 0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1bjx s LEU 123 Cb -0.15 -2.05 1.19 0.00 0.03 0.00 0.00 46.19 45.20 1bjx s LEU 123 CO 0.08 -0.11 1.88 1.55 0.23 0.00 0.00 176.35 179.98 1bjx h PRO 124 N 8.35 0.00 0.00 1.29 0.13 -1.97 -3.44 132.00 136.37 1bjx h PRO 124 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1bjx h PRO 124 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bjx h PRO 124 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 1bjx n ASP 125 N -2.83 0.00 0.26 1.44 5.68 -1.26 -4.85 116.55 114.98 1bjx n ASP 125 Ca 0.01 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.38 1bjx n ASP 125 Cb 0.30 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 40.92 1bjx n ASP 125 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1bjx h GLY 126 N 0.00 0.00 0.70 6.12 0.00 -1.92 -1.58 103.07 106.39 1bjx h GLY 126 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 1bjx h GLY 126 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.01 1bjx h ALA 127 N 1.95 2.61 0.07 3.60 0.00 -1.96 -0.72 119.26 124.82 1bjx h ALA 127 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1bjx h ALA 127 Cb 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1bjx h ALA 127 CO 0.01 -0.80 -1.83 0.00 0.00 0.00 0.00 179.25 176.62 1bjx h ALA 128 N 1.67 0.58 -0.94 0.00 0.00 -1.69 -3.14 119.26 115.74 1bjx h ALA 128 Ca 0.31 -1.41 0.04 0.00 0.00 0.00 0.00 54.91 53.85 1bjx h ALA 128 Cb 1.24 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1bjx h ALA 128 CO -0.00 1.43 0.61 0.00 0.00 0.00 0.00 179.25 181.29 1bjx h ALA 129 N 0.52 1.41 0.02 0.00 0.00 -1.03 -0.60 119.26 119.59 1bjx h ALA 129 Ca -0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bjx h ALA 129 Cb 2.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1bjx h ALA 129 CO 0.09 0.49 -0.01 0.93 0.00 0.00 0.00 179.25 180.76 1bjx h GLU 130 N 1.17 -0.03 -0.01 0.00 4.39 -1.48 -3.06 114.58 115.56 1bjx h GLU 130 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1bjx h GLU 130 Cb 0.03 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1bjx h GLU 130 CO -0.12 0.72 0.14 0.77 -1.16 0.00 0.00 179.01 179.36 1bjx h SER 131 N -0.85 0.00 0.04 1.42 0.02 -1.47 -2.10 113.55 110.61 1bjx h SER 131 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1bjx h SER 131 Cb 0.75 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1bjx h SER 131 CO 0.00 0.00 -0.26 0.25 -1.14 0.00 0.00 176.83 175.68 1bjx h LEU 132 N 0.00 0.16 -1.86 5.07 5.85 -1.10 -1.75 115.31 121.68 1bjx h LEU 132 Ca 0.01 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1bjx h LEU 132 Cb 0.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1bjx h LEU 132 CO -0.00 1.09 0.09 0.58 -0.34 0.00 0.00 178.44 179.86 1bjx h VAL 133 N -0.74 1.04 0.00 1.05 2.07 -1.29 -1.35 116.25 117.03 1bjx h VAL 133 Ca -0.04 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1bjx h VAL 133 Cb 1.17 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1bjx h VAL 133 CO 0.05 0.04 -0.88 -0.08 0.02 0.00 0.00 177.57 176.71 1bjx h GLU 134 N 0.19 0.00 0.41 1.57 4.81 -1.56 -3.37 114.58 116.63 1bjx h GLU 134 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1bjx h GLU 134 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1bjx h GLU 134 CO -0.01 0.26 -0.34 1.03 -0.73 0.00 0.00 179.01 179.23 1bjx h SER 135 N 0.00 -0.89 -4.69 1.04 0.87 -0.29 -3.45 113.55 106.13 1bjx h SER 135 Ca -0.06 0.06 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 1bjx h SER 135 Cb 1.34 0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 63.51 1bjx h SER 135 CO 0.04 -0.47 -0.27 -1.54 -0.53 0.00 0.00 176.83 174.06 1bjx n SER 136 N -4.44 2.65 0.07 6.23 3.41 -1.21 -5.04 113.62 115.29 1bjx n SER 136 Ca -0.09 -2.43 -0.14 0.00 -0.26 0.00 0.00 58.87 55.95 1bjx n SER 136 Cb 0.32 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1bjx n SER 136 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bjx h GLU 137 N 0.00 0.38 -6.76 4.33 5.08 -1.88 -3.46 114.58 112.27 1bjx h GLU 137 Ca -0.27 -0.44 -0.67 0.00 -1.00 0.00 0.00 59.36 56.98 1bjx h GLU 137 Cb 0.88 0.13 -0.23 0.00 0.50 0.00 0.00 28.75 30.03 1bjx h GLU 137 CO 0.44 1.12 -0.86 0.08 -1.00 0.00 0.00 179.01 178.78 1bjx s VAL 138 N -3.18 2.15 -0.30 3.13 1.01 -1.26 -2.61 120.40 119.35 1bjx s VAL 138 Ca -0.05 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 1bjx s VAL 138 Cb 0.09 -1.90 0.19 0.00 0.00 0.00 0.00 36.38 34.75 1bjx s VAL 138 CO 0.87 0.10 1.16 0.00 0.00 0.00 0.00 175.10 177.23 1bjx s ALA 139 N -1.04 -2.51 0.10 5.51 0.00 0.08 -4.45 121.76 119.44 1bjx s ALA 139 Ca 0.12 2.05 0.10 0.00 0.00 0.00 0.00 51.96 54.23 1bjx s ALA 139 Cb -0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1bjx s ALA 139 CO 0.05 -0.32 -0.25 0.54 0.00 0.00 0.00 175.76 175.79 1bjx s VAL 140 N 1.10 2.36 -0.15 0.00 0.11 -1.26 0.16 120.40 122.72 1bjx s VAL 140 Ca -0.08 -1.57 -0.02 0.00 -2.93 0.00 0.00 61.98 57.38 1bjx s VAL 140 Cb -0.03 -2.01 0.05 0.00 -1.53 0.00 0.00 36.38 32.86 1bjx s VAL 140 CO -0.12 0.19 0.02 -0.63 -3.33 0.00 0.00 175.10 171.23 1bjx s ILE 141 N -0.99 0.48 -0.05 7.04 1.01 -1.03 -0.84 121.20 126.81 1bjx s ILE 141 Ca 0.14 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 1bjx s ILE 141 Cb -0.10 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1bjx s ILE 141 CO 0.05 -0.02 0.95 -0.83 0.00 0.00 0.00 174.94 175.09 1bjx s GLY 142 N 1.90 2.66 -1.17 6.18 0.00 -0.55 -3.72 107.32 112.62 1bjx s GLY 142 Ca 0.01 0.42 -0.10 0.00 0.00 0.00 0.00 44.72 45.05 1bjx s GLY 142 CO -0.07 1.70 1.42 0.69 0.00 0.00 0.00 173.10 176.84 1bjx n PHE 143 N 4.30 4.25 -3.68 1.90 3.01 0.27 -3.17 117.46 124.34 1bjx n PHE 143 Ca 0.06 -3.31 -0.37 0.00 1.01 0.00 0.00 57.45 54.84 1bjx n PHE 143 Cb 0.50 -1.82 -0.06 0.00 -0.01 0.00 0.00 39.48 38.09 1bjx n PHE 143 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1bjx s PHE 144 N -0.37 3.65 -0.08 1.38 0.08 -1.16 -1.24 117.98 120.24 1bjx s PHE 144 Ca 0.36 0.75 0.14 0.00 0.12 0.00 0.00 56.93 58.30 1bjx s PHE 144 Cb -0.02 -2.13 -0.10 0.00 -0.57 0.00 0.00 43.02 40.20 1bjx s PHE 144 CO -0.01 0.66 1.06 1.57 -0.10 0.00 0.00 175.22 178.40 1bjx h LYS 145 N 4.99 0.00 -2.37 0.44 2.10 -1.88 -3.26 116.57 116.59 1bjx h LYS 145 Ca -0.52 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.54 1bjx h LYS 145 Cb 1.22 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.16 1bjx h LYS 145 CO 0.61 0.50 -0.96 -0.40 -2.00 0.00 0.00 179.45 177.21 1bjx n ASP 146 N -3.09 -0.03 0.12 7.07 5.68 -1.26 -4.87 116.55 120.18 1bjx n ASP 146 Ca -0.06 -2.51 0.19 0.00 -0.50 0.00 0.00 54.79 51.92 1bjx n ASP 146 Cb 0.86 -0.58 0.67 0.00 -1.14 0.00 0.00 41.12 40.93 1bjx n ASP 146 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1bjx h VAL 147 N 4.20 0.20 -0.17 2.12 -1.51 -1.96 0.67 116.25 119.80 1bjx h VAL 147 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 1bjx h VAL 147 Cb 0.89 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1bjx h VAL 147 CO 0.42 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.14 1bjx n GLU 148 N -3.36 1.43 -0.07 5.19 1.02 -1.26 -4.36 120.64 119.24 1bjx n GLU 148 Ca 0.07 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 1bjx n GLU 148 Cb 0.72 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1bjx n GLU 148 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1bjx n SER 149 N 0.02 0.00 -0.02 1.62 3.41 0.23 -4.98 113.62 113.89 1bjx n SER 149 Ca 0.06 -0.16 -0.22 0.00 -0.26 0.00 0.00 58.87 58.29 1bjx n SER 149 Cb 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 1bjx n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bjx n ASP 150 N -0.49 2.06 0.25 4.04 8.00 -1.26 -3.55 116.55 125.59 1bjx n ASP 150 Ca 0.00 0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.89 1bjx n ASP 150 Cb 0.00 -0.90 0.72 0.00 -0.02 0.00 0.00 41.12 40.92 1bjx n ASP 150 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1bjx h SER 151 N -0.23 0.00 0.85 -2.24 0.02 -1.92 -1.34 113.55 108.68 1bjx h SER 151 Ca -0.40 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.33 1bjx h SER 151 Cb 1.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 1bjx h SER 151 CO 0.01 0.00 -0.99 0.00 -1.14 0.00 0.00 176.83 174.70 1bjx h ALA 152 N 1.97 0.38 -0.06 3.77 0.00 -1.81 -3.17 119.26 120.34 1bjx h ALA 152 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 54.91 54.10 1bjx h ALA 152 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bjx h ALA 152 CO -0.00 1.11 0.07 0.87 0.00 0.00 0.00 179.25 181.30 1bjx h LYS 153 N 0.03 0.00 -0.01 0.00 1.79 -1.29 -2.08 116.57 115.00 1bjx h LYS 153 Ca -0.04 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1bjx h LYS 153 Cb 1.71 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.37 1bjx h LYS 153 CO 0.14 0.00 -0.37 1.96 -1.08 0.00 0.00 179.45 180.10 1bjx h GLN 154 N 0.00 0.27 -0.17 3.15 1.08 -1.53 -3.18 115.11 114.73 1bjx h GLN 154 Ca 0.03 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1bjx h GLN 154 Cb 0.16 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1bjx h GLN 154 CO -0.00 0.97 -0.40 0.35 -0.95 0.00 0.00 178.83 178.80 1bjx h PHE 155 N -0.33 -1.13 -0.42 2.96 3.57 -1.46 -1.56 116.94 118.57 1bjx h PHE 155 Ca -0.04 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1bjx h PHE 155 Cb 1.09 0.52 -0.09 0.00 2.79 0.00 0.00 35.95 40.26 1bjx h PHE 155 CO 0.16 -0.45 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.49 1bjx h LEU 156 N -0.45 -0.77 -0.62 0.59 3.38 -1.64 0.43 115.31 116.23 1bjx h LEU 156 Ca 0.09 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1bjx h LEU 156 Cb 0.60 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1bjx h LEU 156 CO -0.41 -0.25 0.15 1.56 0.09 0.00 0.00 178.44 179.58 1bjx h GLN 157 N -0.15 0.28 -0.34 1.13 1.08 -1.34 0.10 115.11 115.87 1bjx h GLN 157 Ca 0.20 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.21 1bjx h GLN 157 Cb 0.46 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1bjx h GLN 157 CO -0.51 0.18 -0.45 0.00 -0.95 0.00 0.00 178.83 177.10 1bjx h ALA 158 N 1.49 0.54 0.00 3.87 0.00 -0.19 -2.95 119.26 122.01 1bjx h ALA 158 Ca 0.33 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1bjx h ALA 158 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bjx h ALA 158 CO -0.40 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.37 1bjx h ALA 159 N 0.75 1.49 -0.25 0.00 0.00 0.90 -2.82 119.26 119.33 1bjx h ALA 159 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bjx h ALA 159 Cb 1.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1bjx h ALA 159 CO 0.11 0.20 0.16 0.93 0.00 0.00 0.00 179.25 180.65 1bjx h GLU 160 N 0.00 0.34 -0.88 0.00 3.07 -0.66 -2.19 114.58 114.25 1bjx h GLU 160 Ca -0.00 -0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.01 1bjx h GLU 160 Cb 0.34 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 1bjx h GLU 160 CO 0.02 0.24 0.58 0.00 -1.40 0.00 0.00 179.01 178.45 1bjx h ALA 161 N 1.07 2.07 -2.19 3.43 0.00 -1.56 -3.36 119.26 118.73 1bjx h ALA 161 Ca 0.09 0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.39 1bjx h ALA 161 Cb -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 1bjx h ALA 161 CO -0.02 -0.34 0.24 0.42 0.00 0.00 0.00 179.25 179.55 1bjx s ILE 162 N -5.51 4.78 -0.43 0.00 -1.09 -0.82 -4.88 121.20 113.25 1bjx s ILE 162 Ca -0.09 0.48 0.11 0.00 -2.23 0.00 0.00 60.65 58.93 1bjx s ILE 162 Cb 0.22 -4.20 0.30 0.00 -1.58 0.00 0.00 42.46 37.20 1bjx s ILE 162 CO 0.78 -0.51 1.23 0.47 -1.23 0.00 0.00 174.94 175.68 1bjx n ASP 163 N 6.35 2.90 -0.12 3.58 8.00 -1.26 -4.53 116.55 131.48 1bjx n ASP 163 Ca 0.00 -2.41 0.06 0.00 0.71 0.00 0.00 54.79 53.15 1bjx n ASP 163 Cb 0.48 -0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.37 1bjx n ASP 163 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1bjx n ASP 164 N -0.22 1.77 -4.14 -2.24 5.75 -1.26 -5.03 116.55 111.18 1bjx n ASP 164 Ca 0.12 -2.57 -0.23 0.00 -0.01 0.00 0.00 54.79 52.10 1bjx n ASP 164 Cb 0.54 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 40.20 1bjx n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1bjx s ILE 165 N -1.87 1.22 -1.17 2.12 -1.09 -1.26 -5.05 121.20 114.11 1bjx s ILE 165 Ca 0.18 -0.73 -0.19 0.00 -2.23 0.00 0.00 60.65 57.68 1bjx s ILE 165 Cb 0.16 -1.03 -0.04 0.00 -1.58 0.00 0.00 42.46 39.97 1bjx s ILE 165 CO 0.02 0.29 1.99 -0.81 -1.23 0.00 0.00 174.94 175.20 1bjx n PRO 166 N 2.55 2.29 -2.05 2.79 -0.04 -1.26 -4.95 135.00 134.33 1bjx n PRO 166 Ca -0.15 -2.48 -0.42 0.00 -0.04 0.00 0.00 63.50 60.42 1bjx n PRO 166 Cb 0.55 -3.29 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 1bjx n PRO 166 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bjx s PHE 167 N 5.29 3.10 0.16 0.54 0.40 -1.26 -4.08 117.98 122.13 1bjx s PHE 167 Ca 0.55 0.93 0.09 0.00 -0.60 0.00 0.00 56.93 57.90 1bjx s PHE 167 Cb 0.10 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 1bjx s PHE 167 CO 0.05 -2.71 -0.20 0.20 0.70 0.00 0.00 175.22 173.26 1bjx s GLY 168 N 0.70 1.43 -0.13 4.36 0.00 -0.02 0.15 107.32 113.82 1bjx s GLY 168 Ca 0.63 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1bjx s GLY 168 CO 0.37 -1.52 0.33 -1.50 0.00 0.00 0.00 173.10 170.79 1bjx s ILE 169 N -1.81 -0.00 0.10 0.90 2.07 -0.12 -1.48 121.20 120.86 1bjx s ILE 169 Ca 0.15 0.01 -0.24 0.00 -1.41 0.00 0.00 60.65 59.16 1bjx s ILE 169 Cb -0.07 -0.47 0.07 0.00 0.13 0.00 0.00 42.46 42.12 1bjx s ILE 169 CO 0.07 0.01 0.60 0.28 -1.91 0.00 0.00 174.94 173.99 1bjx s THR 170 N 0.30 0.01 0.00 4.00 -1.32 -1.19 -3.07 115.64 114.36 1bjx s THR 170 Ca -0.01 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1bjx s THR 170 Cb -0.03 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 1bjx s THR 170 CO -0.01 -0.02 0.54 -0.24 -2.21 0.00 0.00 174.62 172.68 1bjx n SER 171 N -0.02 1.05 -4.68 8.08 2.88 -1.23 -3.00 113.62 116.70 1bjx n SER 171 Ca -0.18 -1.18 -0.45 0.00 -1.33 0.00 0.00 58.87 55.73 1bjx n SER 171 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 1bjx n SER 171 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bjx n ASN 172 N -0.09 3.64 -0.28 -3.46 5.15 -1.26 -4.81 115.26 114.14 1bjx n ASN 172 Ca 0.00 0.99 0.27 0.00 -0.60 0.00 0.00 54.58 55.24 1bjx n ASN 172 Cb 0.09 -1.45 0.62 0.00 -0.53 0.00 0.00 39.78 38.50 1bjx n ASN 172 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1bjx h SER 173 N 8.47 0.23 -0.70 1.20 4.64 -1.96 0.36 113.55 125.79 1bjx h SER 173 Ca -0.47 0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.05 1bjx h SER 173 Cb 1.25 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1bjx h SER 173 CO 0.93 0.06 0.48 -0.78 -0.87 0.00 0.00 176.83 176.65 1bjx h ASP 174 N 0.21 0.24 1.46 4.97 1.82 -1.92 0.51 116.42 123.71 1bjx h ASP 174 Ca 0.53 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 57.10 1bjx h ASP 174 Cb 1.69 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.66 1bjx h ASP 174 CO -0.14 0.12 -0.42 0.58 -1.61 0.00 0.00 179.24 177.77 1bjx h VAL 175 N 0.25 0.75 0.09 2.25 2.07 -0.62 -2.88 116.25 118.16 1bjx h VAL 175 Ca 0.34 -1.96 -0.26 0.00 0.82 0.00 0.00 66.70 65.64 1bjx h VAL 175 Cb 0.98 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1bjx h VAL 175 CO -0.08 0.41 -1.34 -0.26 0.02 0.00 0.00 177.57 176.32 1bjx h PHE 176 N 0.00 0.34 0.00 1.57 -1.00 -0.35 -3.28 116.94 114.22 1bjx h PHE 176 Ca -0.00 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1bjx h PHE 176 Cb 1.26 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.81 1bjx h PHE 176 CO 0.00 1.53 0.00 0.43 -1.61 0.00 0.00 178.31 178.66 1bjx n SER 177 N -4.02 0.00 -0.06 2.17 7.64 0.14 -2.04 113.62 117.45 1bjx n SER 177 Ca -0.26 0.21 -0.21 0.00 1.01 0.00 0.00 58.87 59.62 1bjx n SER 177 Cb 0.85 -0.36 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 1bjx n SER 177 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1bjx h LYS 178 N 0.00 0.08 -0.47 1.43 3.64 -1.60 -3.35 116.57 116.31 1bjx h LYS 178 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1bjx h LYS 178 Cb 0.20 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1bjx h LYS 178 CO 0.00 1.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.91 1bjx n TYR 179 N -4.23 0.63 -3.39 1.91 4.02 -1.18 -4.94 117.16 109.96 1bjx n TYR 179 Ca -0.28 -0.28 -0.13 0.00 -0.01 0.00 0.00 57.90 57.20 1bjx n TYR 179 Cb 0.75 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 40.01 1bjx n TYR 179 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1bjx n GLN 180 N 0.54 -1.41 -3.91 -0.72 7.27 -0.86 -4.96 117.38 113.32 1bjx n GLN 180 Ca 0.13 1.10 -0.34 0.00 0.07 0.00 0.00 57.00 57.96 1bjx n GLN 180 Cb 0.41 -4.35 -0.13 0.00 2.41 0.00 0.00 30.24 28.57 1bjx n GLN 180 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1bjx s LEU 181 N -4.66 4.61 0.59 1.69 1.43 -0.89 -4.95 118.68 116.50 1bjx s LEU 181 Ca 0.07 -1.83 0.29 0.00 -1.03 0.00 0.00 54.13 51.63 1bjx s LEU 181 Cb -0.02 -1.71 1.45 0.00 0.03 0.00 0.00 46.19 45.94 1bjx s LEU 181 CO 0.81 -0.39 1.86 0.44 0.23 0.00 0.00 176.35 179.31 1bjx h ASP 182 N 7.88 0.00 -1.35 2.29 3.32 -1.93 -3.44 116.42 123.19 1bjx h ASP 182 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1bjx h ASP 182 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1bjx h ASP 182 CO 0.58 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.39 1bjx n LYS 183 N -3.72 0.00 -0.82 3.56 2.85 -1.26 -5.15 118.16 113.61 1bjx n LYS 183 Ca 0.10 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.06 1bjx n LYS 183 Cb 0.74 0.00 0.17 0.00 -0.65 0.00 0.00 35.03 35.29 1bjx n LYS 183 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1bjx s ASP 184 N -0.75 2.78 0.05 -5.58 1.47 -1.26 -5.02 116.67 108.37 1bjx s ASP 184 Ca 0.00 1.87 -0.28 0.00 1.18 0.00 0.00 52.55 55.32 1bjx s ASP 184 Cb 0.00 -2.44 0.09 0.00 -0.34 0.00 0.00 42.92 40.23 1bjx s ASP 184 CO 0.00 -3.14 1.03 -0.83 0.68 0.00 0.00 175.17 172.91 1bjx s GLY 185 N -2.86 -0.33 -0.14 2.12 0.00 -0.37 -4.99 107.32 100.75 1bjx s GLY 185 Ca 0.66 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 1bjx s GLY 185 CO 0.59 0.15 0.02 -1.34 0.00 0.00 0.00 173.10 172.52 1bjx s VAL 186 N -3.01 0.43 0.13 1.40 -7.23 -1.26 0.95 120.40 111.81 1bjx s VAL 186 Ca 0.11 -0.23 0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1bjx s VAL 186 Cb -0.00 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1bjx s VAL 186 CO -0.02 0.01 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.92 1bjx s VAL 187 N 1.92 1.54 -0.09 1.32 1.01 -1.24 -2.40 120.40 122.46 1bjx s VAL 187 Ca 0.02 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1bjx s VAL 187 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1bjx s VAL 187 CO -0.07 -0.31 -0.04 -0.22 0.00 0.00 0.00 175.10 174.46 1bjx s LEU 188 N -2.37 3.29 -0.10 3.92 0.20 -1.26 -2.47 118.68 119.88 1bjx s LEU 188 Ca 0.10 -0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.92 1bjx s LEU 188 Cb -0.06 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1bjx s LEU 188 CO 0.04 0.33 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.99 1bjx s PHE 189 N -0.59 2.90 0.10 5.38 0.40 0.41 -3.59 117.98 123.00 1bjx s PHE 189 Ca 0.09 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1bjx s PHE 189 Cb -0.12 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1bjx s PHE 189 CO 0.02 0.13 0.29 -1.59 0.70 0.00 0.00 175.22 174.77 1bjx s LYS 190 N -0.32 0.94 0.28 0.44 0.00 0.10 -0.74 119.74 120.44 1bjx s LYS 190 Ca 0.04 -0.82 0.20 0.00 0.00 0.00 0.00 55.97 55.39 1bjx s LYS 190 Cb -0.13 0.40 0.11 0.00 0.00 0.00 0.00 37.83 38.22 1bjx s LYS 190 CO 0.02 -0.34 1.31 0.87 0.00 0.00 0.00 175.35 177.22 1bjx h LYS 191 N 2.60 0.00 0.00 1.78 1.57 -1.79 -3.38 116.57 117.35 1bjx h LYS 191 Ca -0.34 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.02 1bjx h LYS 191 Cb 1.23 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.62 1bjx h LYS 191 CO 0.51 0.17 0.14 1.97 -0.57 0.00 0.00 179.45 181.68 1bjx n PHE 192 N -3.00 -3.12 -2.20 -1.35 1.16 -1.26 -4.82 117.46 102.87 1bjx n PHE 192 Ca 0.00 -1.54 0.00 0.00 -1.87 0.00 0.00 57.45 54.04 1bjx n PHE 192 Cb 0.63 -0.71 0.00 0.00 -1.61 0.00 0.00 39.48 37.80 1bjx n PHE 192 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1bjx n ASP 193 N -3.04 -1.21 0.19 5.98 8.00 -1.26 -2.45 116.55 122.76 1bjx n ASP 193 Ca 0.15 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.72 1bjx n ASP 193 Cb 0.54 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.20 1bjx n ASP 193 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1bjx h GLU 194 N 0.00 0.14 0.00 -1.24 4.81 -1.93 -3.46 114.58 112.90 1bjx h GLU 194 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1bjx h GLU 194 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1bjx h GLU 194 CO 0.00 0.12 0.00 0.41 -0.73 0.00 0.00 179.01 178.81 1bjx n GLY 195 N -1.43 3.14 3.70 1.92 0.00 -1.03 -5.03 105.19 106.46 1bjx n GLY 195 Ca -0.01 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1bjx n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjx s ARG 196 N 0.00 2.13 0.00 1.61 3.00 -1.26 -0.73 118.95 123.70 1bjx s ARG 196 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 55.73 53.39 1bjx s ARG 196 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 34.95 33.61 1bjx s ARG 196 CO 0.00 -0.37 0.00 0.09 0.00 0.00 0.00 175.30 175.02 1bjx n ASN 197 N -1.26 1.18 -2.88 0.23 3.02 -1.24 -4.94 115.26 109.38 1bjx n ASN 197 Ca -0.16 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.31 1bjx n ASN 197 Cb 0.67 0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.88 1bjx n ASN 197 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bjx n ASN 198 N -1.54 -7.75 -4.63 6.41 3.02 -1.26 -4.82 115.26 104.68 1bjx n ASN 198 Ca 0.00 0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 54.87 1bjx n ASN 198 Cb 0.14 -4.96 -0.03 0.00 -0.61 0.00 0.00 39.78 34.32 1bjx n ASN 198 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bjx s PHE 199 N -2.18 1.83 -0.80 3.10 5.36 -1.01 -4.93 117.98 119.35 1bjx s PHE 199 Ca 0.18 0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 1bjx s PHE 199 Cb -0.04 -4.01 0.19 0.00 -0.34 0.00 0.00 43.02 38.82 1bjx s PHE 199 CO 0.76 -3.57 0.63 -1.21 -1.46 0.00 0.00 175.22 170.37 1bjx s GLU 200 N 4.86 2.85 0.00 10.12 8.01 -1.26 -4.65 118.70 138.63 1bjx s GLU 200 Ca 0.79 -3.33 0.00 0.00 0.01 0.00 0.00 54.97 52.44 1bjx s GLU 200 Cb -0.29 -3.68 0.00 0.00 -4.31 0.00 0.00 34.13 25.85 1bjx s GLU 200 CO 0.32 -1.28 0.00 0.41 0.01 0.00 0.00 175.26 174.72 1bjx n GLY 201 N 2.12 2.04 3.67 -1.39 0.00 -1.26 -5.12 105.19 105.25 1bjx n GLY 201 Ca 0.21 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1bjx n GLY 201 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bjx s GLU 202 N 1.24 4.33 -0.60 1.61 2.02 -1.26 -4.96 118.70 121.07 1bjx s GLU 202 Ca 0.00 1.41 -0.27 0.00 0.02 0.00 0.00 54.97 56.14 1bjx s GLU 202 Cb 0.00 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 1bjx s GLU 202 CO 0.00 -0.50 1.72 0.08 0.02 0.00 0.00 175.26 176.58 1bjx s VAL 203 N 2.69 3.47 0.01 2.63 1.01 -1.26 -4.71 120.40 124.23 1bjx s VAL 203 Ca 0.47 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.61 1bjx s VAL 203 Cb -0.17 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1bjx s VAL 203 CO 0.12 -1.04 0.33 0.42 0.00 0.00 0.00 175.10 174.93 1bjx s THR 204 N 8.09 0.06 0.21 3.92 -4.23 -1.26 -4.96 115.64 117.47 1bjx s THR 204 Ca 0.62 -0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1bjx s THR 204 Cb -0.12 -0.77 0.19 0.00 1.34 0.00 0.00 72.50 73.14 1bjx s THR 204 CO 0.21 -0.29 1.66 0.50 -0.54 0.00 0.00 174.62 176.16 1bjx h LYS 205 N 3.54 0.09 -1.00 3.99 3.64 -1.92 1.01 116.57 125.93 1bjx h LYS 205 Ca -0.30 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1bjx h LYS 205 Cb 1.19 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1bjx h LYS 205 CO 0.42 0.06 0.64 0.93 -2.27 0.00 0.00 179.45 179.24 1bjx h GLU 206 N 0.09 1.12 0.04 1.90 5.08 -1.96 -0.15 114.58 120.70 1bjx h GLU 206 Ca 0.31 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1bjx h GLU 206 Cb 0.49 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1bjx h GLU 206 CO -0.53 0.74 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.08 1bjx h ASN 207 N 1.15 0.13 0.10 1.42 2.35 -1.15 -3.15 115.58 116.43 1bjx h ASN 207 Ca 0.43 -0.99 0.02 0.00 -0.55 0.00 0.00 56.30 55.22 1bjx h ASN 207 Cb 0.20 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1bjx h ASN 207 CO -0.18 1.11 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.33 1bjx h LEU 208 N -0.83 -0.91 -2.00 1.61 3.38 0.11 0.10 115.31 116.77 1bjx h LEU 208 Ca -0.04 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1bjx h LEU 208 Cb 1.18 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1bjx h LEU 208 CO 0.04 -0.40 0.41 -0.07 0.09 0.00 0.00 178.44 178.51 1bjx h LEU 209 N -0.53 0.00 0.01 1.67 3.38 -1.17 -1.40 115.31 117.27 1bjx h LEU 209 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1bjx h LEU 209 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1bjx h LEU 209 CO -0.20 0.00 -0.45 -0.78 0.09 0.00 0.00 178.44 177.10 1bjx h ASP 210 N 0.00 0.38 0.48 -0.43 1.82 -1.02 -2.80 116.42 114.84 1bjx h ASP 210 Ca 0.27 -0.80 -0.02 0.00 -0.39 0.00 0.00 57.03 56.09 1bjx h ASP 210 Cb 1.07 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1bjx h ASP 210 CO -0.00 1.13 -0.37 0.15 -1.61 0.00 0.00 179.24 178.54 1bjx h PHE 211 N -0.33 -1.00 -0.85 0.28 3.57 0.20 -2.70 116.94 116.12 1bjx h PHE 211 Ca -0.06 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.58 1bjx h PHE 211 Cb 1.21 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 40.23 1bjx h PHE 211 CO 0.17 -0.52 0.44 0.82 -2.23 0.00 0.00 178.31 176.99 1bjx h ILE 212 N -0.81 0.74 0.00 1.41 2.04 -1.56 0.25 117.51 119.57 1bjx h ILE 212 Ca -0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1bjx h ILE 212 Cb 0.68 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1bjx h ILE 212 CO 0.02 0.12 0.19 0.11 0.00 0.00 0.00 178.15 178.58 1bjx h LYS 213 N 0.63 0.00 -0.33 2.37 1.57 -1.20 0.92 116.57 120.53 1bjx h LYS 213 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1bjx h LYS 213 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1bjx h LYS 213 CO -0.35 0.00 0.00 1.58 -0.57 0.00 0.00 179.45 180.11 1bjx n HIS 214 N -2.93 0.54 -0.04 -1.35 -0.00 0.84 -4.59 115.22 107.70 1bjx n HIS 214 Ca -0.02 -0.56 -0.03 0.00 0.46 0.00 0.00 57.72 57.56 1bjx n HIS 214 Cb 0.24 -0.07 -0.01 0.00 -0.12 0.00 0.00 29.99 30.03 1bjx n HIS 214 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1bjx n ASN 215 N 0.33 1.02 -0.32 0.26 5.03 0.32 -4.45 115.26 117.45 1bjx n ASN 215 Ca 0.13 0.42 0.08 0.00 0.87 0.00 0.00 54.58 56.07 1bjx n ASN 215 Cb 0.50 -0.70 0.24 0.00 -1.02 0.00 0.00 39.78 38.80 1bjx n ASN 215 CO 0.00 0.00 0.00 0.06 -1.83 0.00 0.00 177.26 175.49 1bjx h GLN 216 N -0.56 0.75 -6.16 3.52 3.07 -1.85 -3.39 115.11 110.50 1bjx h GLN 216 Ca 0.00 -0.05 -0.58 0.00 0.09 0.00 0.00 58.65 58.12 1bjx h GLN 216 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1bjx h GLN 216 CO 0.00 0.50 1.35 -0.51 0.09 0.00 0.00 178.83 180.25 1bjx s LEU 217 N -10.30 3.64 0.00 0.06 1.43 -1.26 -4.97 118.68 107.28 1bjx s LEU 217 Ca -0.12 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1bjx s LEU 217 Cb 0.22 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1bjx s LEU 217 CO 0.79 -1.68 0.00 -0.81 0.23 0.00 0.00 176.35 174.88 1bjx n PRO 218 N 8.36 -0.08 -2.77 1.29 -0.04 -1.26 -4.95 135.00 135.55 1bjx n PRO 218 Ca 0.25 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 1bjx n PRO 218 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 1bjx n PRO 218 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bjx s LEU 219 N 0.00 3.93 -0.31 1.53 1.43 -1.26 -4.85 118.68 119.14 1bjx s LEU 219 Ca 0.00 -0.32 0.18 0.00 -1.03 0.00 0.00 54.13 52.96 1bjx s LEU 219 Cb 0.00 -2.85 0.47 0.00 0.03 0.00 0.00 46.19 43.84 1bjx s LEU 219 CO 0.00 -1.34 1.02 0.55 0.23 0.00 0.00 176.35 176.81 1bjx n VAL 220 N 6.28 1.25 -2.52 -1.59 3.14 -1.26 -5.03 118.33 118.60 1bjx n VAL 220 Ca 0.03 -3.24 -0.40 0.00 -2.96 0.00 0.00 64.34 57.76 1bjx n VAL 220 Cb 0.48 0.58 -0.03 0.00 -1.06 0.00 0.00 33.84 33.80 1bjx n VAL 220 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1bjx s ILE 221 N -3.59 3.90 0.00 1.55 -1.09 -1.26 -4.57 121.20 116.14 1bjx s ILE 221 Ca 0.30 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1bjx s ILE 221 Cb 0.42 -4.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 1bjx s ILE 221 CO -0.00 -1.87 0.00 -0.62 -1.23 0.00 0.00 174.94 171.21 1bjx n GLU 222 N 8.85 0.00 -1.34 2.79 1.02 -1.26 -5.14 120.64 125.56 1bjx n GLU 222 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1bjx n GLU 222 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1bjx n GLU 222 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1bjx n PHE 223 N -2.11 -1.62 -5.24 -0.32 3.01 -1.26 -5.13 117.46 104.79 1bjx n PHE 223 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1bjx n PHE 223 Cb 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 1bjx n PHE 223 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1bjx s THR 224 N 0.23 2.03 -0.24 4.37 2.01 -1.26 -5.02 115.64 117.77 1bjx s THR 224 Ca 0.00 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.00 1bjx s THR 224 Cb 0.00 -1.72 -0.17 0.00 0.01 0.00 0.00 72.50 70.62 1bjx s THR 224 CO 0.00 0.56 -0.17 -0.62 -0.69 0.00 0.00 174.62 173.71 1bjx n GLU 225 N 3.00 0.66 -2.81 4.92 4.71 -1.26 -4.80 120.64 125.07 1bjx n GLU 225 Ca -0.18 0.11 -0.43 0.00 -0.01 0.00 0.00 57.16 56.66 1bjx n GLU 225 Cb 0.52 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.42 1bjx n GLU 225 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1bjx s GLN 226 N -2.49 3.22 -0.25 3.49 2.00 -1.26 -4.99 119.66 119.39 1bjx s GLN 226 Ca -0.29 -0.91 -0.29 0.00 -2.00 0.00 0.00 55.36 51.87 1bjx s GLN 226 Cb 0.08 -4.40 -0.01 0.00 0.80 0.00 0.00 33.01 29.49 1bjx s GLN 226 CO 0.61 -1.88 1.30 0.95 -0.50 0.00 0.00 175.29 175.76 1bjx s THR 227 N 4.14 4.18 -2.00 -0.34 -4.23 -1.26 -5.29 115.64 110.84 1bjx s THR 227 Ca 0.27 1.38 0.16 0.00 -1.18 0.00 0.00 61.69 62.32 1bjx s THR 227 Cb -0.13 -4.08 0.46 0.00 1.34 0.00 0.00 72.50 70.09 1bjx s THR 227 CO 0.07 -0.34 1.38 0.00 -0.54 0.00 0.00 174.62 175.19