#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4d s THR 118 N 0.00 1.68 0.22 1.96 2.01 -1.26 -4.73 115.64 115.52 1u4d s THR 118 Ca 0.00 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1u4d s THR 118 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1u4d s THR 118 CO 0.00 0.48 0.36 0.00 -0.69 0.00 0.00 174.62 174.77 1u4d s LEU 120 N -3.78 4.54 -0.03 0.00 1.43 -1.26 -0.78 118.68 118.79 1u4d s LEU 120 Ca 0.35 1.81 0.07 0.00 -1.03 0.00 0.00 54.13 55.33 1u4d s LEU 120 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1u4d s LEU 120 CO 0.30 0.00 -0.26 -0.63 0.23 0.00 0.00 176.35 175.99 1u4d s ILE 121 N -0.33 2.04 0.27 -0.59 1.01 0.10 -4.85 121.20 118.85 1u4d s ILE 121 Ca 0.45 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1u4d s ILE 121 Cb -0.24 -1.70 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 1u4d s ILE 121 CO 0.30 0.57 0.76 -0.83 0.00 0.00 0.00 174.94 175.74 1u4d s GLY 122 N -0.46 2.56 0.38 6.18 0.00 -1.26 -4.17 107.32 110.54 1u4d s GLY 122 Ca 0.06 0.18 0.13 0.00 0.00 0.00 0.00 44.72 45.09 1u4d s GLY 122 CO 0.01 0.51 1.84 1.05 0.00 0.00 0.00 173.10 176.50 1u4d h GLU 123 N 3.05 0.54 -0.83 2.90 4.11 -1.95 -1.29 114.58 121.11 1u4d h GLU 123 Ca -0.48 -0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.10 1u4d h GLU 123 Cb 1.19 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1u4d h GLU 123 CO 0.65 0.36 0.56 0.87 0.07 0.00 0.00 179.01 181.51 1u4d h LYS 124 N 0.56 0.36 -0.70 1.06 1.57 -2.04 -2.29 116.57 115.09 1u4d h LYS 124 Ca 0.49 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 1u4d h LYS 124 Cb 1.00 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.16 1u4d h LYS 124 CO -0.23 0.24 0.15 -0.25 -0.57 0.00 0.00 179.45 178.79 1u4d n ASP 125 N -4.48 5.04 -3.65 0.86 10.43 -0.48 -4.81 116.55 119.45 1u4d n ASP 125 Ca 0.17 -3.03 -0.28 0.00 2.57 0.00 0.00 54.79 54.22 1u4d n ASP 125 Cb 0.64 -0.71 -0.16 0.00 1.84 0.00 0.00 41.12 42.73 1u4d n ASP 125 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1u4d s LEU 126 N -2.71 1.03 -0.16 0.64 2.96 -0.86 -1.06 118.68 118.52 1u4d s LEU 126 Ca 0.52 -1.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1u4d s LEU 126 Cb 0.40 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.55 1u4d s LEU 126 CO 0.14 -0.37 0.31 -0.13 -1.32 0.00 0.00 176.35 174.98 1u4d s ARG 127 N 1.94 4.26 -0.05 1.98 0.52 -0.79 -4.96 118.95 121.85 1u4d s ARG 127 Ca 0.04 0.13 -0.03 0.00 -0.52 0.00 0.00 55.73 55.35 1u4d s ARG 127 Cb -0.17 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 1u4d s ARG 127 CO -0.19 0.21 0.11 -0.51 0.02 0.00 0.00 175.30 174.94 1u4d s LEU 128 N 0.55 4.12 0.00 2.53 1.02 -1.26 -0.35 118.68 125.28 1u4d s LEU 128 Ca 0.17 0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.62 1u4d s LEU 128 Cb -0.13 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.86 1u4d s LEU 128 CO 0.05 0.33 0.00 0.18 0.02 0.00 0.00 176.35 176.92 1u4d n LEU 129 N 1.52 0.00 -4.50 1.79 4.77 0.15 -4.95 117.00 115.78 1u4d n LEU 129 Ca -0.16 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.44 1u4d n LEU 129 Cb 0.54 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1u4d n LEU 129 CO 0.36 0.00 0.19 -1.84 -1.33 0.00 0.00 177.39 174.77 1u4d n GLU 130 N 0.00 0.67 -2.00 3.23 0.28 -1.26 -4.49 120.64 117.06 1u4d n GLU 130 Ca 0.00 0.25 -0.39 0.00 -0.16 0.00 0.00 57.16 56.86 1u4d n GLU 130 Cb 0.00 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.09 1u4d n GLU 130 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1u4d s LYS 131 N -2.10 3.87 -0.00 3.44 1.02 -1.26 -1.16 119.74 123.55 1u4d s LYS 131 Ca 0.68 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.87 1u4d s LYS 131 Cb -0.48 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1u4d s LYS 131 CO 0.54 -0.58 0.00 1.28 -0.92 0.00 0.00 175.35 175.67 1u4d n LEU 132 N -0.00 0.00 0.00 3.17 4.77 0.26 -4.80 117.00 120.40 1u4d n LEU 132 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1u4d n LEU 132 Cb 0.43 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1u4d n LEU 132 CO 0.56 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1u4d n GLY 133 N 2.85 -0.59 3.09 -0.72 0.00 -1.13 -4.99 105.19 103.70 1u4d n GLY 133 Ca -0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1u4d n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u4d s ASP 134 N -4.00 1.38 0.20 1.61 1.11 -1.26 -2.33 116.67 113.37 1u4d s ASP 134 Ca 0.00 -0.31 -0.02 0.00 0.18 0.00 0.00 52.55 52.40 1u4d s ASP 134 Cb 0.00 -0.12 -0.04 0.00 1.07 0.00 0.00 42.92 43.84 1u4d s ASP 134 CO 0.00 0.07 0.15 -0.83 1.18 0.00 0.00 175.17 175.74 1u4d s GLY 135 N -0.66 1.34 0.00 0.21 0.00 -1.09 -4.97 107.32 102.15 1u4d s GLY 135 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1u4d s GLY 135 CO 0.00 -1.34 0.00 -1.14 0.00 0.00 0.00 173.10 170.62 1u4d n SER 136 N -0.26 0.00 -0.04 1.64 3.41 -1.26 -2.22 113.62 114.89 1u4d n SER 136 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1u4d n SER 136 Cb 0.66 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.61 1u4d n SER 136 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1u4d n PHE 137 N -3.19 0.02 -3.51 7.33 1.16 -1.26 -5.11 117.46 112.90 1u4d n PHE 137 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 1u4d n PHE 137 Cb 0.00 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 37.84 1u4d n PHE 137 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1u4d n GLY 138 N -0.20 -0.64 3.69 4.97 0.00 -0.94 -4.89 105.19 107.17 1u4d n GLY 138 Ca 0.01 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1u4d n GLY 138 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u4d n VAL 139 N 4.59 3.32 -4.01 1.61 0.31 -1.26 -2.68 118.33 120.21 1u4d n VAL 139 Ca 0.00 -0.35 -0.30 0.00 -0.01 0.00 0.00 64.34 63.67 1u4d n VAL 139 Cb 0.00 -1.28 -0.16 0.00 -0.91 0.00 0.00 33.84 31.48 1u4d n VAL 139 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1u4d s VAL 140 N -1.77 1.61 0.14 2.52 1.01 -0.99 -1.96 120.40 120.96 1u4d s VAL 140 Ca 0.77 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1u4d s VAL 140 Cb -0.34 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1u4d s VAL 140 CO 0.47 0.35 -0.15 -0.13 0.00 0.00 0.00 175.10 175.63 1u4d s ARG 141 N 1.45 1.89 0.68 2.72 0.52 0.16 0.90 118.95 127.27 1u4d s ARG 141 Ca 0.03 -1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 53.87 1u4d s ARG 141 Cb -0.14 -2.13 0.01 0.00 0.52 0.00 0.00 34.95 33.21 1u4d s ARG 141 CO -0.10 0.46 1.11 0.50 0.02 0.00 0.00 175.30 177.30 1u4d s ARG 142 N -2.43 2.67 0.32 3.54 3.52 -0.31 0.00 118.95 126.27 1u4d s ARG 142 Ca 0.21 1.39 -0.10 0.00 -0.13 0.00 0.00 55.73 57.10 1u4d s ARG 142 Cb -0.10 -1.93 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 1u4d s ARG 142 CO 0.12 -1.35 0.57 0.20 -0.81 0.00 0.00 175.30 174.02 1u4d s GLY 143 N -2.66 0.85 -0.05 8.12 0.00 -0.11 0.33 107.32 113.81 1u4d s GLY 143 Ca 0.67 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1u4d s GLY 143 CO 0.44 -0.67 -0.10 -0.54 0.00 0.00 0.00 173.10 172.23 1u4d s GLU 144 N -3.20 1.30 -0.18 2.90 2.02 0.52 -2.41 118.70 119.66 1u4d s GLU 144 Ca 0.23 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1u4d s GLU 144 Cb -0.02 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 33.08 1u4d s GLU 144 CO 0.14 0.03 -0.16 -0.46 0.02 0.00 0.00 175.26 174.83 1u4d s TRP 145 N 0.58 2.80 -0.96 1.61 -0.00 -0.52 -1.88 118.94 120.57 1u4d s TRP 145 Ca -0.11 -1.32 -0.24 0.00 -0.00 0.00 0.00 56.10 54.44 1u4d s TRP 145 Cb -0.14 -1.93 0.04 0.00 -0.00 0.00 0.00 33.47 31.44 1u4d s TRP 145 CO 0.02 -0.65 1.48 -0.51 -0.00 0.00 0.00 176.95 177.29 1u4d s ASP 146 N 1.13 6.30 0.55 5.86 1.01 -0.22 -1.04 116.67 130.26 1u4d s ASP 146 Ca 0.01 -1.19 -0.18 0.00 0.71 0.00 0.00 52.55 51.90 1u4d s ASP 146 Cb -0.14 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.16 1u4d s ASP 146 CO -0.06 -1.69 1.05 0.00 0.21 0.00 0.00 175.17 174.68 1u4d s ALA 147 N 5.65 2.80 0.46 5.23 0.00 -0.86 -4.92 121.76 130.12 1u4d s ALA 147 Ca 0.47 0.49 0.14 0.00 0.00 0.00 0.00 51.96 53.05 1u4d s ALA 147 Cb -0.02 -3.24 1.09 0.00 0.00 0.00 0.00 23.12 20.94 1u4d s ALA 147 CO -0.05 -0.59 2.06 -1.00 0.00 0.00 0.00 175.76 176.18 1u4d h PRO 148 N 0.93 0.28 -0.97 0.00 0.13 -1.95 -1.01 132.00 129.42 1u4d h PRO 148 Ca -0.48 -0.02 0.28 0.00 -0.87 0.00 0.00 66.00 64.91 1u4d h PRO 148 Cb 1.22 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1u4d h PRO 148 CO 0.58 0.19 0.94 0.66 -0.23 0.00 0.00 178.00 180.14 1u4d h SER 149 N 0.29 0.00 0.00 1.44 4.64 -2.02 -3.45 113.55 114.46 1u4d h SER 149 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1u4d h SER 149 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1u4d h SER 149 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1u4d n GLY 150 N -1.68 0.85 3.59 -0.77 0.00 -0.38 -5.09 105.19 101.71 1u4d n GLY 150 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1u4d n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4d s LYS 151 N -0.93 2.15 -0.31 1.61 1.02 -1.25 -4.96 119.74 117.08 1u4d s LYS 151 Ca 0.00 -1.17 -0.14 0.00 0.02 0.00 0.00 55.97 54.68 1u4d s LYS 151 Cb 0.00 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1u4d s LYS 151 CO 0.00 0.46 0.32 0.99 -0.92 0.00 0.00 175.35 176.20 1u4d s THR 152 N -1.58 5.21 -0.11 2.17 2.01 -1.26 -2.02 115.64 120.06 1u4d s THR 152 Ca 0.25 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1u4d s THR 152 Cb -0.09 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1u4d s THR 152 CO 0.16 0.05 0.03 -0.69 -0.69 0.00 0.00 174.62 173.48 1u4d s VAL 153 N 1.96 4.55 0.04 3.82 1.01 -0.21 -4.90 120.40 126.67 1u4d s VAL 153 Ca 0.11 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1u4d s VAL 153 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1u4d s VAL 153 CO 0.11 0.59 1.25 -0.44 0.00 0.00 0.00 175.10 176.60 1u4d s SER 154 N -0.72 7.02 0.15 3.32 0.01 -1.26 -1.44 113.70 120.78 1u4d s SER 154 Ca 0.12 2.02 0.01 0.00 1.31 0.00 0.00 55.95 59.41 1u4d s SER 154 Cb -0.12 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 1u4d s SER 154 CO 0.02 -0.54 0.00 0.68 0.41 0.00 0.00 173.24 173.82 1u4d s VAL 155 N 1.46 0.56 -0.11 3.43 -7.23 -1.01 -4.21 120.40 113.29 1u4d s VAL 155 Ca 0.59 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1u4d s VAL 155 Cb -0.30 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1u4d s VAL 155 CO 0.28 -0.52 -0.06 0.00 -0.31 0.00 0.00 175.10 174.48 1u4d s ALA 156 N -3.73 2.95 -0.13 1.32 0.00 -0.18 -0.93 121.76 121.06 1u4d s ALA 156 Ca 0.22 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1u4d s ALA 156 Cb 0.06 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1u4d s ALA 156 CO 0.02 0.40 -0.22 0.08 0.00 0.00 0.00 175.76 176.04 1u4d s VAL 157 N -0.22 2.04 -0.17 0.00 1.01 0.10 -0.62 120.40 122.55 1u4d s VAL 157 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1u4d s VAL 157 Cb -0.13 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1u4d s VAL 157 CO 0.03 0.55 -0.08 -0.75 0.00 0.00 0.00 175.10 174.84 1u4d s LYS 158 N 0.72 3.43 -0.10 2.72 2.20 -0.30 -0.66 119.74 127.75 1u4d s LYS 158 Ca -0.10 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1u4d s LYS 158 Cb -0.16 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 1u4d s LYS 158 CO 0.00 0.07 -0.07 0.00 -0.36 0.00 0.00 175.35 174.99 1u4d h PRO 168 N 5.83 -0.09 0.00 0.00 0.13 -2.05 -3.43 132.00 132.39 1u4d h PRO 168 Ca -0.41 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1u4d h PRO 168 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1u4d h PRO 168 CO 0.55 -0.06 -0.87 0.93 -0.23 0.00 0.00 178.00 178.32 1u4d h GLU 169 N -0.10 0.00 -0.16 0.86 5.08 -2.05 -3.01 114.58 115.20 1u4d h GLU 169 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1u4d h GLU 169 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1u4d h GLU 169 CO -0.80 0.00 -0.40 0.00 -1.00 0.00 0.00 179.01 176.82 1u4d h ALA 170 N 2.04 1.02 -0.12 3.43 0.00 -2.04 -1.99 119.26 121.60 1u4d h ALA 170 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1u4d h ALA 170 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u4d h ALA 170 CO 0.00 0.61 -0.29 1.98 0.00 0.00 0.00 179.25 181.54 1u4d h MET 171 N 0.31 0.41 -0.99 0.00 1.85 -2.00 -1.43 114.93 113.07 1u4d h MET 171 Ca 0.03 -0.28 0.15 0.00 -0.61 0.00 0.00 59.70 58.98 1u4d h MET 171 Cb 0.84 0.04 -0.09 0.00 0.43 0.00 0.00 31.60 32.82 1u4d h MET 171 CO 0.07 0.89 0.61 -0.44 -0.40 0.00 0.00 176.91 177.64 1u4d h ASP 172 N -0.02 0.85 -0.09 1.39 3.32 -1.50 -2.24 116.42 118.14 1u4d h ASP 172 Ca -0.00 0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.88 1u4d h ASP 172 Cb 0.90 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.37 1u4d h ASP 172 CO 0.06 0.40 -0.86 0.44 -1.72 0.00 0.00 179.24 177.56 1u4d h ASP 173 N 0.89 0.93 -0.22 6.45 3.32 -1.14 -1.74 116.42 124.90 1u4d h ASP 173 Ca 0.52 -0.65 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1u4d h ASP 173 Cb 0.64 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1u4d h ASP 173 CO -0.31 1.45 -0.06 0.15 -1.72 0.00 0.00 179.24 178.74 1u4d h PHE 174 N 0.49 -0.13 -0.48 4.55 3.57 -1.08 -2.42 116.94 121.44 1u4d h PHE 174 Ca -0.08 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 1u4d h PHE 174 Cb 1.49 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1u4d h PHE 174 CO 0.09 -0.10 -0.18 0.82 -2.23 0.00 0.00 178.31 176.70 1u4d h ILE 175 N -0.01 1.27 -0.79 1.41 2.04 -1.35 -1.83 117.51 118.24 1u4d h ILE 175 Ca 0.11 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 1u4d h ILE 175 Cb 0.17 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1u4d h ILE 175 CO -0.23 0.46 0.49 0.03 0.00 0.00 0.00 178.15 178.89 1u4d h ARG 176 N 0.83 1.07 -0.09 2.37 3.08 -1.18 0.12 114.38 120.59 1u4d h ARG 176 Ca 0.11 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1u4d h ARG 176 Cb 0.76 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1u4d h ARG 176 CO 0.06 0.75 0.01 1.49 -1.07 0.00 0.00 179.97 181.21 1u4d h GLU 177 N 1.08 0.15 -0.26 0.04 4.81 -1.30 -0.08 114.58 119.02 1u4d h GLU 177 Ca 0.29 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1u4d h GLU 177 Cb -0.05 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 1u4d h GLU 177 CO -0.05 0.38 -0.19 0.28 -0.73 0.00 0.00 179.01 178.69 1u4d h VAL 178 N -0.10 0.47 -0.56 0.32 2.07 -1.21 -1.23 116.25 116.02 1u4d h VAL 178 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1u4d h VAL 178 Cb 0.30 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1u4d h VAL 178 CO 0.00 0.00 0.29 0.78 0.02 0.00 0.00 177.57 178.66 1u4d h ASN 179 N -0.18 0.42 -0.54 0.57 -0.26 -0.85 -0.37 115.58 114.37 1u4d h ASN 179 Ca 0.14 0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.81 1u4d h ASN 179 Cb 0.40 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1u4d h ASN 179 CO -0.37 0.28 -0.04 0.00 -1.06 0.00 0.00 177.43 176.24 1u4d h ALA 180 N 1.30 0.74 -0.09 -0.83 0.00 -0.73 -2.85 119.26 116.80 1u4d h ALA 180 Ca 0.25 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1u4d h ALA 180 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u4d h ALA 180 CO -0.17 0.60 -0.34 0.52 0.00 0.00 0.00 179.25 179.86 1u4d h MET 181 N 0.86 0.18 -0.04 0.00 2.86 -1.00 -3.32 114.93 114.47 1u4d h MET 181 Ca 0.15 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1u4d h MET 181 Cb 0.59 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1u4d h MET 181 CO 0.04 0.51 -0.11 1.25 1.06 0.00 0.00 176.91 179.65 1u4d h HIS 182 N 0.16 -0.29 -1.19 -0.22 6.17 -0.81 -1.50 115.15 117.47 1u4d h HIS 182 Ca 0.02 0.01 0.36 0.00 0.71 0.00 0.00 60.37 61.47 1u4d h HIS 182 Cb 0.68 0.14 -0.11 0.00 2.52 0.00 0.00 27.41 30.64 1u4d h HIS 182 CO 0.01 -0.17 0.77 0.77 0.71 0.00 0.00 177.93 180.02 1u4d h SER 183 N -0.18 0.32 -3.32 3.26 0.02 -1.66 -3.45 113.55 108.54 1u4d h SER 183 Ca 0.06 0.11 -0.57 0.00 -0.84 0.00 0.00 61.79 60.55 1u4d h SER 183 Cb 0.25 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1u4d h SER 183 CO -0.15 -0.06 0.00 -0.76 -1.14 0.00 0.00 176.83 174.73 1u4d s LEU 184 N -9.50 4.40 -0.32 5.07 1.02 -0.56 -5.06 118.68 113.73 1u4d s LEU 184 Ca -0.08 1.16 0.02 0.00 0.02 0.00 0.00 54.13 55.25 1u4d s LEU 184 Cb 0.27 -2.95 0.15 0.00 0.02 0.00 0.00 46.19 43.69 1u4d s LEU 184 CO 0.81 0.07 0.38 -0.62 0.02 0.00 0.00 176.35 177.00 1u4d s ASP 185 N -0.04 0.90 -0.05 2.29 2.15 -1.26 -4.82 116.67 115.84 1u4d s ASP 185 Ca 0.32 -0.84 -0.14 0.00 0.43 0.00 0.00 52.55 52.32 1u4d s ASP 185 Cb -0.18 0.82 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 1u4d s ASP 185 CO 0.17 -0.33 0.31 -2.28 -0.17 0.00 0.00 175.17 172.87 1u4d s HIS 186 N 2.16 -0.23 -0.19 -5.34 2.46 -1.26 -5.06 115.29 107.83 1u4d s HIS 186 Ca 0.12 0.43 0.25 0.00 0.47 0.00 0.00 55.06 56.33 1u4d s HIS 186 Cb -0.13 0.10 1.25 0.00 -0.13 0.00 0.00 32.58 33.66 1u4d s HIS 186 CO -0.23 -0.32 1.77 0.07 -2.47 0.00 0.00 174.74 173.56 1u4d h ARG 187 N 4.39 0.00 -0.46 2.88 0.11 -1.99 -2.43 114.38 116.88 1u4d h ARG 187 Ca -0.29 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.56 1u4d h ARG 187 Cb 1.18 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.12 1u4d h ARG 187 CO 0.37 0.00 0.04 0.09 0.10 0.00 0.00 179.97 180.57 1u4d n ASN 188 N -2.39 2.72 -3.83 0.08 4.13 -1.26 -4.83 115.26 109.89 1u4d n ASN 188 Ca -0.00 -3.74 -0.17 0.00 1.68 0.00 0.00 54.58 52.34 1u4d n ASN 188 Cb 0.12 -0.67 -0.16 0.00 -1.54 0.00 0.00 39.78 37.53 1u4d n ASN 188 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1u4d s LEU 189 N -3.25 1.18 0.20 3.41 1.43 -0.92 -1.33 118.68 119.40 1u4d s LEU 189 Ca 0.47 -0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 53.21 1u4d s LEU 189 Cb 0.42 -0.25 -0.12 0.00 0.03 0.00 0.00 46.19 46.27 1u4d s LEU 189 CO 0.02 -0.09 1.75 -0.63 0.23 0.00 0.00 176.35 177.62 1u4d s ILE 190 N 1.01 2.09 0.03 -0.59 -1.09 -0.67 -4.64 121.20 117.35 1u4d s ILE 190 Ca -0.10 0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.15 1u4d s ILE 190 Cb -0.14 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.68 1u4d s ILE 190 CO -0.01 0.00 0.53 -0.13 -1.23 0.00 0.00 174.94 174.09 1u4d s ARG 191 N 1.44 4.16 -0.28 2.79 0.52 -1.26 -4.96 118.95 121.36 1u4d s ARG 191 Ca 0.76 0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 56.35 1u4d s ARG 191 Cb -0.49 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1u4d s ARG 191 CO 0.33 0.57 0.87 -1.17 0.02 0.00 0.00 175.30 175.92 1u4d s LEU 192 N -0.82 4.06 -0.02 2.53 0.20 -1.26 -1.78 118.68 121.59 1u4d s LEU 192 Ca 0.28 0.94 -0.14 0.00 0.69 0.00 0.00 54.13 55.90 1u4d s LEU 192 Cb -0.18 -3.24 -0.33 0.00 -0.43 0.00 0.00 46.19 42.01 1u4d s LEU 192 CO 0.17 -0.62 0.80 1.88 -0.29 0.00 0.00 176.35 178.29 1u4d h TYR 193 N 7.88 0.81 -1.17 5.38 0.99 -1.26 -3.43 116.97 126.17 1u4d h TYR 193 Ca -0.23 -0.59 0.01 0.00 2.00 0.00 0.00 58.73 59.92 1u4d h TYR 193 Cb 1.09 -0.03 -0.00 0.00 1.00 0.00 0.00 36.73 38.78 1u4d h TYR 193 CO 0.77 1.62 0.03 0.41 -0.00 0.00 0.00 178.16 180.99 1u4d n GLY 194 N 1.79 0.60 3.00 3.88 0.00 -0.90 -2.21 105.19 111.35 1u4d n GLY 194 Ca -0.21 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1u4d n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u4d s VAL 195 N -2.13 -0.01 -0.34 1.61 1.01 0.04 -0.96 120.40 119.62 1u4d s VAL 195 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1u4d s VAL 195 Cb -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1u4d s VAL 195 CO -0.00 0.01 0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1u4d s VAL 196 N 0.20 4.83 -2.03 2.92 1.01 -0.25 0.03 120.40 127.11 1u4d s VAL 196 Ca -0.01 -0.50 0.19 0.00 0.00 0.00 0.00 61.98 61.66 1u4d s VAL 196 Cb -0.02 -3.55 0.53 0.00 0.00 0.00 0.00 36.38 33.35 1u4d s VAL 196 CO -0.01 -0.06 1.45 0.18 0.00 0.00 0.00 175.10 176.66 1u4d n LEU 197 N 5.03 3.25 -4.58 3.92 4.77 -1.26 -2.04 117.00 126.10 1u4d n LEU 197 Ca -0.13 -1.61 -0.42 0.00 -0.03 0.00 0.00 56.01 53.82 1u4d n LEU 197 Cb 0.48 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1u4d n LEU 197 CO 0.36 0.80 0.47 0.42 -1.33 0.00 0.00 177.39 178.11 1u4d s THR 198 N -1.21 4.82 0.26 -5.08 -4.23 -1.26 -4.90 115.64 104.03 1u4d s THR 198 Ca 0.41 0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 61.33 1u4d s THR 198 Cb 0.21 -4.14 -0.14 0.00 1.34 0.00 0.00 72.50 69.77 1u4d s THR 198 CO 0.28 -0.37 1.10 -2.65 -0.54 0.00 0.00 174.62 172.44 1u4d n PRO 199 N 6.21 1.40 -2.76 3.99 -0.02 -1.26 -3.96 135.00 138.60 1u4d n PRO 199 Ca 0.01 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 1u4d n PRO 199 Cb 0.48 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1u4d n PRO 199 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1u4d s PRO 200 N -1.13 4.83 0.77 0.52 0.04 -1.26 -5.14 135.00 133.63 1u4d s PRO 200 Ca 0.63 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1u4d s PRO 200 Cb -0.73 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 30.57 1u4d s PRO 200 CO 0.57 0.49 1.08 -1.64 0.04 0.00 0.00 177.00 177.54 1u4d s MET 201 N -1.06 2.30 -0.15 4.56 -1.94 -1.25 -4.99 119.30 116.77 1u4d s MET 201 Ca 0.41 0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 55.24 1u4d s MET 201 Cb -0.26 -1.92 0.05 0.00 2.01 0.00 0.00 34.83 34.71 1u4d s MET 201 CO 0.31 -1.55 0.37 0.15 -0.01 0.00 0.00 175.02 174.30 1u4d s LYS 202 N -5.00 0.40 -0.26 2.03 1.02 -0.86 -4.44 119.74 112.63 1u4d s LYS 202 Ca 0.60 0.61 -0.12 0.00 0.02 0.00 0.00 55.97 57.08 1u4d s LYS 202 Cb -0.16 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.20 1u4d s LYS 202 CO 0.56 -0.10 0.25 -1.64 -0.92 0.00 0.00 175.35 173.50 1u4d s MET 203 N 0.72 4.03 -0.38 1.68 -1.94 0.16 -1.09 119.30 122.47 1u4d s MET 203 Ca -0.04 -0.15 -0.16 0.00 -1.71 0.00 0.00 55.69 53.62 1u4d s MET 203 Cb -0.05 -3.61 0.01 0.00 2.01 0.00 0.00 34.83 33.18 1u4d s MET 203 CO -0.05 -0.12 0.41 0.08 -0.01 0.00 0.00 175.02 175.33 1u4d s VAL 204 N 1.59 5.12 0.39 -6.03 1.01 -0.13 -1.15 120.40 121.20 1u4d s VAL 204 Ca 0.11 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1u4d s VAL 204 Cb -0.15 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1u4d s VAL 204 CO 0.09 -0.27 0.07 0.42 0.00 0.00 0.00 175.10 175.40 1u4d s THR 205 N 2.10 2.28 0.19 3.92 -4.23 0.21 -0.81 115.64 119.30 1u4d s THR 205 Ca 0.12 -1.90 -0.33 0.00 -1.18 0.00 0.00 61.69 58.41 1u4d s THR 205 Cb -0.17 -2.93 -0.14 0.00 1.34 0.00 0.00 72.50 70.60 1u4d s THR 205 CO 0.13 -0.06 1.37 1.21 -0.54 0.00 0.00 174.62 176.72 1u4d n GLU 206 N -1.05 1.74 -3.48 3.99 2.13 -0.73 -1.01 120.64 122.23 1u4d n GLU 206 Ca -0.03 0.62 -0.37 0.00 0.66 0.00 0.00 57.16 58.04 1u4d n GLU 206 Cb 0.65 -2.26 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 1u4d n GLU 206 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1u4d s LEU 207 N 0.42 4.32 -0.52 4.31 2.96 -1.26 -4.39 118.68 124.52 1u4d s LEU 207 Ca 0.73 0.71 -0.20 0.00 -0.22 0.00 0.00 54.13 55.15 1u4d s LEU 207 Cb -0.74 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 43.50 1u4d s LEU 207 CO 0.48 0.14 0.70 0.00 -1.32 0.00 0.00 176.35 176.35 1u4d s ALA 208 N 0.06 3.34 0.52 5.97 0.00 -1.26 -4.96 121.76 125.41 1u4d s ALA 208 Ca 0.21 -1.64 0.26 0.00 0.00 0.00 0.00 51.96 50.79 1u4d s ALA 208 Cb -0.14 -3.44 1.57 0.00 0.00 0.00 0.00 23.12 21.11 1u4d s ALA 208 CO 0.08 -2.10 2.16 -1.35 0.00 0.00 0.00 175.76 174.56 1u4d h PRO 209 N 9.07 0.00 -0.01 0.00 0.11 -1.73 -1.85 132.00 137.59 1u4d h PRO 209 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1u4d h PRO 209 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u4d h PRO 209 CO 0.99 0.06 -0.22 1.28 -0.21 0.00 0.00 178.00 179.90 1u4d n LEU 210 N -3.91 0.91 0.00 2.35 4.77 -0.92 -5.05 117.00 115.17 1u4d n LEU 210 Ca -0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1u4d n LEU 210 Cb 0.15 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1u4d n LEU 210 CO 0.30 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1u4d n GLY 211 N 1.32 -1.34 3.69 -0.72 0.00 -0.70 -4.78 105.19 102.68 1u4d n GLY 211 Ca 0.13 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1u4d n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u4d s SER 212 N -4.00 6.61 0.29 1.61 0.15 -1.26 -0.91 113.70 116.20 1u4d s SER 212 Ca 0.00 2.49 0.01 0.00 0.70 0.00 0.00 55.95 59.14 1u4d s SER 212 Cb 0.00 -2.57 0.52 0.00 -1.71 0.00 0.00 66.02 62.26 1u4d s SER 212 CO 0.00 -0.87 1.89 0.25 1.20 0.00 0.00 173.24 175.72 1u4d h LEU 213 N 8.23 0.93 -0.52 3.45 5.85 -1.33 -2.96 115.31 128.96 1u4d h LEU 213 Ca -0.42 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1u4d h LEU 213 Cb 1.20 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1u4d h LEU 213 CO 0.92 0.58 0.30 0.25 -0.34 0.00 0.00 178.44 180.15 1u4d h LEU 214 N 1.04 0.46 -0.50 2.25 5.85 -1.76 0.52 115.31 123.18 1u4d h LEU 214 Ca 0.41 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 1u4d h LEU 214 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1u4d h LEU 214 CO -0.17 0.32 0.30 0.44 -0.34 0.00 0.00 178.44 178.99 1u4d h ASP 215 N 0.58 0.60 0.05 1.25 3.32 -1.88 -2.38 116.42 117.97 1u4d h ASP 215 Ca 0.22 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1u4d h ASP 215 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1u4d h ASP 215 CO -0.12 0.48 -0.30 0.03 -1.72 0.00 0.00 179.24 177.61 1u4d h ARG 216 N 0.66 0.38 -0.84 3.56 3.08 -1.31 -1.91 114.38 118.01 1u4d h ARG 216 Ca 0.18 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1u4d h ARG 216 Cb -0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1u4d h ARG 216 CO -0.03 0.65 0.40 -0.07 -1.07 0.00 0.00 179.97 179.85 1u4d h LEU 217 N 0.34 1.11 -0.17 3.04 3.38 -0.61 -1.74 115.31 120.65 1u4d h LEU 217 Ca 0.04 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1u4d h LEU 217 Cb 0.71 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1u4d h LEU 217 CO 0.05 0.94 -0.37 0.03 0.09 0.00 0.00 178.44 179.18 1u4d h ARG 218 N 1.20 0.54 0.03 1.13 3.08 -1.01 -1.13 114.38 118.21 1u4d h ARG 218 Ca 0.29 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1u4d h ARG 218 Cb 0.13 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1u4d h ARG 218 CO -0.03 0.97 -0.01 0.87 -1.07 0.00 0.00 179.97 180.70 1u4d h LYS 219 N 0.18 -0.03 0.00 0.04 1.57 -1.37 -3.38 116.57 113.58 1u4d h LYS 219 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u4d h LYS 219 Cb 0.97 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1u4d h LYS 219 CO 0.08 0.15 -1.26 0.72 -0.57 0.00 0.00 179.45 178.57 1u4d n HIS 220 N -5.02 0.00 0.00 -1.35 8.25 -0.66 -5.01 115.22 111.44 1u4d n HIS 220 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1u4d n HIS 220 Cb 0.12 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1u4d n HIS 220 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u4d n GLN 221 N -1.72 0.00 0.28 -0.41 6.02 -0.43 -1.49 117.38 119.63 1u4d n GLN 221 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.18 1u4d n GLN 221 Cb 0.35 0.00 0.96 0.00 1.02 0.00 0.00 30.24 32.58 1u4d n GLN 221 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u4d h GLY 222 N 0.00 0.00 -0.62 1.08 0.00 -1.95 -2.04 103.07 99.54 1u4d h GLY 222 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 47.33 47.68 1u4d h GLY 222 CO 0.00 0.00 0.70 0.84 0.00 0.00 0.00 176.54 178.08 1u4d h HIS 223 N 0.00 0.71 -3.18 5.60 6.17 -1.69 -3.35 115.15 119.41 1u4d h HIS 223 Ca 0.03 0.03 -0.59 0.00 0.71 0.00 0.00 60.37 60.55 1u4d h HIS 223 Cb 0.31 -0.19 -0.11 0.00 2.52 0.00 0.00 27.41 29.95 1u4d h HIS 223 CO 0.00 -0.12 0.71 -0.06 0.71 0.00 0.00 177.93 179.17 1u4d s PHE 224 N -5.48 2.72 0.80 5.26 0.08 -0.77 -5.02 117.98 115.58 1u4d s PHE 224 Ca -0.09 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 1u4d s PHE 224 Cb 0.29 -4.23 0.07 0.00 -0.57 0.00 0.00 43.02 38.58 1u4d s PHE 224 CO 0.80 -1.45 1.10 -0.51 -0.10 0.00 0.00 175.22 175.07 1u4d s LEU 225 N 4.31 2.56 0.52 -0.37 1.43 -1.26 -4.85 118.68 121.03 1u4d s LEU 225 Ca 0.34 1.29 0.20 0.00 -1.03 0.00 0.00 54.13 54.94 1u4d s LEU 225 Cb -0.11 -3.88 1.36 0.00 0.03 0.00 0.00 46.19 43.59 1u4d s LEU 225 CO 0.21 -2.01 2.13 -0.07 0.23 0.00 0.00 176.35 176.84 1u4d h LEU 226 N -1.12 0.00 -0.14 1.79 3.38 -1.95 -2.42 115.31 114.86 1u4d h LEU 226 Ca -0.47 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.26 1u4d h LEU 226 Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1u4d h LEU 226 CO 0.59 0.06 -0.86 1.23 0.09 0.00 0.00 178.44 179.55 1u4d h GLY 227 N 0.25 0.79 0.93 0.83 0.00 -1.97 -2.20 103.07 101.70 1u4d h GLY 227 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.11 1u4d h GLY 227 CO 0.01 1.07 0.14 -0.84 0.00 0.00 0.00 176.54 176.92 1u4d h THR 228 N 0.46 1.17 -0.71 4.70 2.02 -1.81 -2.24 112.91 116.50 1u4d h THR 228 Ca -0.08 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1u4d h THR 228 Cb 1.50 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1u4d h THR 228 CO 0.17 0.18 0.22 -0.07 0.37 0.00 0.00 175.52 176.39 1u4d h LEU 229 N 0.37 1.03 -0.29 2.58 3.38 -1.50 -1.13 115.31 119.76 1u4d h LEU 229 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u4d h LEU 229 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1u4d h LEU 229 CO -0.01 0.96 0.19 -1.28 0.09 0.00 0.00 178.44 178.39 1u4d h SER 230 N 1.06 0.34 -0.90 -0.43 0.87 -1.32 0.22 113.55 113.39 1u4d h SER 230 Ca 0.23 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1u4d h SER 230 Cb 0.31 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1u4d h SER 230 CO -0.01 0.25 0.54 -0.09 -0.53 0.00 0.00 176.83 176.99 1u4d h ARG 231 N 0.39 1.22 -0.62 2.24 1.12 -1.09 -0.85 114.38 116.79 1u4d h ARG 231 Ca 0.11 -0.11 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 1u4d h ARG 231 Cb -0.04 -0.26 -0.02 0.00 -0.01 0.00 0.00 29.97 29.64 1u4d h ARG 231 CO -0.02 0.86 0.13 1.88 -3.11 0.00 0.00 179.97 179.71 1u4d h TYR 232 N 1.24 1.05 -0.72 2.20 0.05 -0.88 -1.22 116.97 118.70 1u4d h TYR 232 Ca 0.32 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1u4d h TYR 232 Cb -0.05 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.37 1u4d h TYR 232 CO 0.01 0.89 0.36 0.00 -1.05 0.00 0.00 178.16 178.36 1u4d h ALA 233 N 1.04 1.28 -0.41 3.88 0.00 -0.26 -1.47 119.26 123.32 1u4d h ALA 233 Ca 0.19 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1u4d h ALA 233 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u4d h ALA 233 CO 0.01 0.57 -0.27 0.28 0.00 0.00 0.00 179.25 179.83 1u4d h VAL 234 N 1.01 1.27 -0.51 0.00 2.07 -0.76 -1.81 116.25 117.53 1u4d h VAL 234 Ca 0.25 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1u4d h VAL 234 Cb 0.08 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1u4d h VAL 234 CO -0.03 0.48 0.15 1.56 0.02 0.00 0.00 177.57 179.75 1u4d h GLN 235 N 0.73 0.79 -0.49 1.57 4.20 -0.65 -0.69 115.11 120.58 1u4d h GLN 235 Ca 0.09 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1u4d h GLN 235 Cb 0.82 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1u4d h GLN 235 CO 0.07 0.74 0.25 0.28 -0.67 0.00 0.00 178.83 179.50 1u4d h VAL 236 N 0.69 1.18 -0.58 -0.54 2.07 -1.19 -0.57 116.25 117.31 1u4d h VAL 236 Ca 0.16 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1u4d h VAL 236 Cb 0.28 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1u4d h VAL 236 CO -0.00 0.20 0.38 0.00 0.02 0.00 0.00 177.57 178.17 1u4d h ALA 237 N 1.09 1.65 -0.09 1.67 0.00 -1.02 -0.64 119.26 121.92 1u4d h ALA 237 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1u4d h ALA 237 Cb 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u4d h ALA 237 CO -0.02 0.30 -0.46 0.93 0.00 0.00 0.00 179.25 180.00 1u4d h GLU 238 N 0.72 0.48 -0.38 0.00 5.08 -0.44 -0.09 114.58 119.95 1u4d h GLU 238 Ca 0.22 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1u4d h GLU 238 Cb 0.01 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1u4d h GLU 238 CO -0.06 1.02 0.06 0.78 -1.00 0.00 0.00 179.01 179.81 1u4d h GLY 239 N 0.05 0.43 2.00 -3.84 0.00 -0.86 -2.16 103.07 98.69 1u4d h GLY 239 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1u4d h GLY 239 CO 0.10 -0.05 -0.45 -0.33 0.00 0.00 0.00 176.54 175.81 1u4d h MET 240 N 0.18 0.00 -0.20 4.80 2.86 -1.06 -2.03 114.93 119.48 1u4d h MET 240 Ca 0.18 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1u4d h MET 240 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1u4d h MET 240 CO -0.26 0.45 -0.23 0.78 1.06 0.00 0.00 176.91 178.71 1u4d h GLY 241 N 1.87 0.39 0.90 8.32 0.00 -0.81 -0.44 103.07 113.31 1u4d h GLY 241 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1u4d h GLY 241 CO 0.06 0.28 -0.35 -1.82 0.00 0.00 0.00 176.54 174.70 1u4d h TYR 242 N 0.33 0.73 -0.60 5.60 5.03 -0.84 -2.36 116.97 124.86 1u4d h TYR 242 Ca 0.05 -0.26 0.01 0.00 2.58 0.00 0.00 58.73 61.12 1u4d h TYR 242 Cb 0.59 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 1u4d h TYR 242 CO 0.01 1.00 0.39 -0.07 -1.32 0.00 0.00 178.16 178.17 1u4d h LEU 243 N 0.25 0.67 -1.05 2.82 3.38 -1.29 -2.29 115.31 117.80 1u4d h LEU 243 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1u4d h LEU 243 Cb 0.94 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1u4d h LEU 243 CO 0.08 0.48 0.29 -0.08 0.09 0.00 0.00 178.44 179.30 1u4d h GLU 244 N 0.79 0.96 -0.00 1.13 4.81 -1.04 -0.33 114.58 120.91 1u4d h GLU 244 Ca 0.23 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1u4d h GLU 244 Cb -0.06 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1u4d h GLU 244 CO -0.06 0.77 -0.27 0.66 -0.73 0.00 0.00 179.01 179.38 1u4d h SER 245 N 0.95 0.00 -0.43 1.04 4.64 -0.87 -1.85 113.55 117.03 1u4d h SER 245 Ca 0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1u4d h SER 245 Cb 0.15 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1u4d h SER 245 CO -0.02 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.50 1u4d n LYS 246 N -4.22 2.14 -2.07 4.77 4.76 -0.69 -4.96 118.16 117.89 1u4d n LYS 246 Ca -0.02 -1.76 -0.16 0.00 -2.87 0.00 0.00 58.31 53.50 1u4d n LYS 246 Cb 0.32 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 1u4d n LYS 246 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1u4d n ARG 247 N 0.94 -1.22 -3.46 1.97 1.74 -0.61 -4.90 116.66 111.12 1u4d n ARG 247 Ca 0.17 0.85 -0.38 0.00 -0.77 0.00 0.00 57.85 57.72 1u4d n ARG 247 Cb 0.44 -5.18 -0.06 0.00 -1.02 0.00 0.00 32.46 26.64 1u4d n ARG 247 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1u4d s PHE 248 N -2.74 3.69 -0.14 -1.55 0.08 -0.23 -1.75 117.98 115.33 1u4d s PHE 248 Ca 0.00 0.98 -0.05 0.00 0.12 0.00 0.00 56.93 57.98 1u4d s PHE 248 Cb 0.00 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1u4d s PHE 248 CO 0.00 0.55 0.04 0.96 -0.10 0.00 0.00 175.22 176.67 1u4d s ILE 249 N -0.75 4.62 -0.12 0.64 -4.36 -0.95 -4.15 121.20 116.12 1u4d s ILE 249 Ca 0.24 -0.11 -0.28 0.00 -0.26 0.00 0.00 60.65 60.24 1u4d s ILE 249 Cb -0.16 -3.02 -0.27 0.00 1.25 0.00 0.00 42.46 40.25 1u4d s ILE 249 CO 0.13 0.53 0.79 -0.74 0.24 0.00 0.00 174.94 175.89 1u4d h HIS 250 N 6.02 0.10 0.00 1.37 -0.00 -1.89 -2.45 115.15 118.31 1u4d h HIS 250 Ca -0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 1u4d h HIS 250 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1u4d h HIS 250 CO 0.60 1.06 0.00 0.54 -0.00 0.00 0.00 177.93 180.13 1u4d n ARG 251 N -4.52 -1.13 -2.34 5.26 1.74 -1.26 -2.73 116.66 111.69 1u4d n ARG 251 Ca -0.11 0.28 -0.01 0.00 -0.77 0.00 0.00 57.85 57.25 1u4d n ARG 251 Cb 0.55 -4.32 0.05 0.00 -1.02 0.00 0.00 32.46 27.72 1u4d n ARG 251 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u4d n ASP 252 N -0.56 0.30 -4.62 0.55 2.03 -1.26 -4.77 116.55 108.22 1u4d n ASP 252 Ca 0.00 -2.07 -0.43 0.00 0.52 0.00 0.00 54.79 52.81 1u4d n ASP 252 Cb 0.28 -0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 1u4d n ASP 252 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1u4d s LEU 253 N -2.78 3.77 0.16 -2.67 2.96 -1.26 -4.82 118.68 114.04 1u4d s LEU 253 Ca 0.20 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.85 1u4d s LEU 253 Cb 0.33 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.50 1u4d s LEU 253 CO -0.08 -1.14 0.42 0.00 -1.32 0.00 0.00 176.35 174.22 1u4d s ALA 254 N 4.40 -0.67 0.45 5.97 0.00 -1.26 -4.68 121.76 125.97 1u4d s ALA 254 Ca 0.52 -0.36 0.16 0.00 0.00 0.00 0.00 51.96 52.27 1u4d s ALA 254 Cb -0.12 0.80 1.04 0.00 0.00 0.00 0.00 23.12 24.84 1u4d s ALA 254 CO 0.25 -0.71 2.00 0.00 0.00 0.00 0.00 175.76 177.30 1u4d h ALA 255 N 2.35 1.66 0.00 0.00 0.00 -1.93 -1.13 119.26 120.22 1u4d h ALA 255 Ca -0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1u4d h ALA 255 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1u4d h ALA 255 CO 0.43 0.22 -0.18 0.07 0.00 0.00 0.00 179.25 179.79 1u4d h ARG 256 N 0.00 0.00 -0.59 0.00 0.11 -1.96 -2.11 114.38 109.83 1u4d h ARG 256 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1u4d h ARG 256 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1u4d h ARG 256 CO 0.02 0.18 0.00 0.09 0.10 0.00 0.00 179.97 180.37 1u4d n ASN 257 N -4.30 3.20 -4.76 0.08 3.02 -0.43 -4.81 115.26 107.26 1u4d n ASN 257 Ca -0.02 -2.26 -0.35 0.00 -0.03 0.00 0.00 54.58 51.91 1u4d n ASN 257 Cb 0.25 -0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1u4d n ASN 257 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1u4d s LEU 258 N -1.34 4.20 -0.04 3.41 1.43 -0.80 -1.11 118.68 124.45 1u4d s LEU 258 Ca 0.33 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1u4d s LEU 258 Cb 0.21 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1u4d s LEU 258 CO 0.16 0.24 -0.19 -0.76 0.23 0.00 0.00 176.35 176.03 1u4d s LEU 259 N 0.01 1.98 -0.32 1.79 1.43 -0.56 -1.11 118.68 121.90 1u4d s LEU 259 Ca 0.09 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 1u4d s LEU 259 Cb -0.11 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1u4d s LEU 259 CO -0.00 0.19 0.75 -0.76 0.23 0.00 0.00 176.35 176.76 1u4d s LEU 260 N -0.14 4.11 -0.03 1.79 1.43 -0.09 -0.35 118.68 125.40 1u4d s LEU 260 Ca -0.00 0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 1u4d s LEU 260 Cb -0.11 -3.00 -0.21 0.00 0.03 0.00 0.00 46.19 42.91 1u4d s LEU 260 CO 0.01 -0.61 1.22 0.00 0.23 0.00 0.00 176.35 177.21 1u4d h ALA 261 N 8.22 -0.01 -4.58 4.21 0.00 -1.07 -2.43 119.26 123.60 1u4d h ALA 261 Ca -0.25 -0.26 -0.41 0.00 0.00 0.00 0.00 54.91 53.98 1u4d h ALA 261 Cb 1.10 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1u4d h ALA 261 CO 0.87 -0.24 -0.38 0.25 0.00 0.00 0.00 179.25 179.75 1u4d n THR 262 N -4.84 0.00 0.30 0.00 -2.24 -1.16 -4.22 114.28 102.13 1u4d n THR 262 Ca -0.09 -1.95 0.16 0.00 -2.27 0.00 0.00 64.05 59.90 1u4d n THR 262 Cb 0.27 0.86 0.93 0.00 -2.10 0.00 0.00 70.33 70.28 1u4d n THR 262 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1u4d h ARG 263 N 0.00 0.00 -0.02 -0.78 2.43 -2.03 -2.82 114.38 111.16 1u4d h ARG 263 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1u4d h ARG 263 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1u4d h ARG 263 CO 0.33 0.03 -0.06 -0.25 -1.51 0.00 0.00 179.97 178.52 1u4d n ASP 264 N -3.60 2.51 -3.70 -3.80 8.00 -1.26 -4.95 116.55 109.76 1u4d n ASP 264 Ca -0.03 -1.75 -0.23 0.00 0.71 0.00 0.00 54.79 53.49 1u4d n ASP 264 Cb 0.13 0.07 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 1u4d n ASP 264 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1u4d s LEU 265 N -1.71 0.49 -0.03 0.64 2.96 -1.07 -4.99 118.68 114.97 1u4d s LEU 265 Ca 0.22 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1u4d s LEU 265 Cb 0.16 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 1u4d s LEU 265 CO 0.28 -0.26 0.04 0.54 -1.32 0.00 0.00 176.35 175.62 1u4d s VAL 266 N 2.05 4.50 0.01 1.68 0.11 -1.26 -0.43 120.40 127.06 1u4d s VAL 266 Ca 0.03 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1u4d s VAL 266 Cb -0.14 -2.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.71 1u4d s VAL 266 CO -0.06 0.44 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.50 1u4d s LYS 267 N -1.42 0.87 0.15 1.54 1.02 0.53 -4.65 119.74 117.78 1u4d s LYS 267 Ca 0.19 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 1u4d s LYS 267 Cb -0.12 -0.84 -0.07 0.00 -0.52 0.00 0.00 37.83 36.28 1u4d s LYS 267 CO 0.09 0.22 1.03 0.42 -0.92 0.00 0.00 175.35 176.19 1u4d s ILE 268 N -0.54 4.17 0.00 2.17 1.01 -0.44 -1.50 121.20 126.07 1u4d s ILE 268 Ca 0.02 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1u4d s ILE 268 Cb -0.06 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1u4d s ILE 268 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1u4d n GLY 269 N 2.16 4.23 3.22 6.18 0.00 -0.26 -1.66 105.19 119.04 1u4d n GLY 269 Ca 0.03 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 1u4d n GLY 269 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u4d n ASP 270 N -1.66 -7.01 -1.20 1.61 4.64 -1.26 -4.89 116.55 106.78 1u4d n ASP 270 Ca 0.00 -0.15 -0.03 0.00 -1.38 0.00 0.00 54.79 53.23 1u4d n ASP 270 Cb 0.00 -4.24 0.11 0.00 -1.04 0.00 0.00 41.12 35.95 1u4d n ASP 270 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1u4d n PHE 271 N -1.54 0.91 0.32 -0.67 3.01 -1.26 -4.51 117.46 113.72 1u4d n PHE 271 Ca -0.05 -0.59 0.21 0.00 1.01 0.00 0.00 57.45 58.03 1u4d n PHE 271 Cb 0.55 -0.36 1.08 0.00 -0.01 0.00 0.00 39.48 40.74 1u4d n PHE 271 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1u4d h GLY 272 N 3.87 0.00 -0.93 1.37 0.00 -1.90 -2.47 103.07 103.00 1u4d h GLY 272 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1u4d h GLY 272 CO 0.28 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.86 1u4d n LEU 273 N -3.11 2.08 -4.69 3.11 4.77 -1.26 -4.91 117.00 112.99 1u4d n LEU 273 Ca -0.02 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 1u4d n LEU 273 Cb 0.13 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1u4d n LEU 273 CO 0.22 0.43 1.46 -0.32 -1.33 0.00 0.00 177.39 177.85 1u4d s MET 274 N -0.91 4.15 0.16 3.23 1.75 -0.93 -4.65 119.30 122.10 1u4d s MET 274 Ca 0.14 2.54 0.11 0.00 -1.25 0.00 0.00 55.69 57.23 1u4d s MET 274 Cb 0.09 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 1u4d s MET 274 CO 0.14 -0.83 -0.25 1.03 -0.65 0.00 0.00 175.02 174.45 1u4d s ARG 275 N 2.94 1.43 0.09 4.11 1.81 -0.92 -4.90 118.95 123.51 1u4d s ARG 275 Ca 0.80 -1.42 -0.21 0.00 -1.72 0.00 0.00 55.73 53.18 1u4d s ARG 275 Cb -0.44 -1.84 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 1u4d s ARG 275 CO 0.36 0.42 0.63 0.00 -0.68 0.00 0.00 175.30 176.02 1u4d s ALA 276 N -1.36 3.55 0.27 2.13 0.00 -1.26 -2.24 121.76 122.85 1u4d s ALA 276 Ca 0.17 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1u4d s ALA 276 Cb -0.09 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 1u4d s ALA 276 CO 0.08 0.35 0.95 -0.51 0.00 0.00 0.00 175.76 176.63 1u4d s LEU 277 N -1.05 4.53 -1.25 0.00 1.43 -0.72 -4.98 118.68 116.64 1u4d s LEU 277 Ca 0.31 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 1u4d s LEU 277 Cb -0.20 -3.76 0.18 0.00 0.03 0.00 0.00 46.19 42.44 1u4d s LEU 277 CO 0.21 0.05 1.80 -0.81 0.23 0.00 0.00 176.35 177.83 1u4d n PRO 278 N 1.13 3.68 -4.17 1.29 -0.04 -1.26 -4.93 135.00 130.71 1u4d n PRO 278 Ca -0.01 -3.66 -0.35 0.00 -0.04 0.00 0.00 63.50 59.45 1u4d n PRO 278 Cb 0.48 -2.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1u4d n PRO 278 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1u4d n GLN 279 N 3.76 -3.61 0.00 0.54 7.27 -1.26 -5.09 117.38 118.99 1u4d n GLN 279 Ca 0.38 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.87 1u4d n GLN 279 Cb 0.36 -5.17 0.00 0.00 2.41 0.00 0.00 30.24 27.85 1u4d n GLN 279 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1u4d n ASP 282 N -2.69 0.00 -3.80 1.69 -0.08 -1.26 -5.29 116.55 105.12 1u4d n ASP 282 Ca 0.07 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.27 1u4d n ASP 282 Cb 0.50 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 1u4d n ASP 282 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1u4d s HIS 283 N -0.43 -0.23 -0.07 -0.67 -3.43 -1.26 -4.64 115.29 104.56 1u4d s HIS 283 Ca 0.00 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.10 1u4d s HIS 283 Cb 0.00 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.81 1u4d s HIS 283 CO 0.00 -1.18 -0.17 -0.47 -2.00 0.00 0.00 174.74 170.92 1u4d s TYR 284 N -3.90 2.66 -0.12 0.38 5.04 -0.74 -4.79 117.35 115.88 1u4d s TYR 284 Ca 0.10 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 1u4d s TYR 284 Cb -0.05 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.59 1u4d s TYR 284 CO 0.04 -0.02 -0.18 0.08 -1.34 0.00 0.00 175.55 174.13 1u4d s VAL 285 N -0.30 1.74 0.00 3.14 1.01 -1.26 -1.45 120.40 123.28 1u4d s VAL 285 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1u4d s VAL 285 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1u4d s VAL 285 CO 0.03 0.49 0.00 0.23 0.00 0.00 0.00 175.10 175.84 1u4d n MET 286 N 4.14 0.00 0.00 2.72 2.81 -1.04 -5.05 117.12 120.70 1u4d n MET 286 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1u4d n MET 286 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1u4d n MET 286 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1u4d n VAL 292 N 0.00 0.00 -2.40 2.03 0.31 -1.26 -5.01 118.33 112.00 1u4d n VAL 292 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1u4d n VAL 292 Cb 0.00 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.87 1u4d n VAL 292 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1u4d s PRO 293 N -1.12 3.41 0.22 5.55 0.04 -1.26 -4.84 135.00 136.99 1u4d s PRO 293 Ca 0.00 -1.49 -0.11 0.00 0.04 0.00 0.00 61.00 59.44 1u4d s PRO 293 Cb 0.00 -5.39 0.31 0.00 0.04 0.00 0.00 34.50 29.45 1u4d s PRO 293 CO 0.00 -2.80 1.66 0.74 0.04 0.00 0.00 177.00 176.64 1u4d h PHE 294 N 8.82 -0.06 0.00 0.56 0.04 -2.00 -1.56 116.94 122.74 1u4d h PHE 294 Ca 0.32 0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1u4d h PHE 294 Cb 0.92 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1u4d h PHE 294 CO 1.33 -0.18 0.00 0.00 -0.60 0.00 0.00 178.31 178.86 1u4d h ALA 295 N 1.58 1.00 0.00 2.45 0.00 -1.89 -2.82 119.26 119.58 1u4d h ALA 295 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1u4d h ALA 295 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1u4d h ALA 295 CO -0.55 0.00 -0.88 0.91 0.00 0.00 0.00 179.25 178.74 1u4d n TRP 296 N -2.61 0.16 -2.78 0.00 8.01 -0.60 -4.89 117.44 114.73 1u4d n TRP 296 Ca 0.01 0.05 -0.38 0.00 -1.31 0.00 0.00 57.50 55.87 1u4d n TRP 296 Cb 0.26 -0.32 -0.06 0.00 -2.01 0.00 0.00 31.31 29.18 1u4d n TRP 296 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u4d s ALA 298 N -1.39 2.38 0.25 0.00 0.00 -1.26 -4.79 121.76 116.95 1u4d s ALA 298 Ca 0.45 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 1u4d s ALA 298 Cb -0.22 -3.56 0.51 0.00 0.00 0.00 0.00 23.12 19.85 1u4d s ALA 298 CO 0.28 -1.61 1.72 -1.00 0.00 0.00 0.00 175.76 175.15 1u4d h PRO 299 N 0.56 0.40 -0.06 0.00 0.13 -1.95 -1.10 132.00 129.97 1u4d h PRO 299 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1u4d h PRO 299 Cb 1.34 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1u4d h PRO 299 CO 0.53 0.26 0.04 1.05 -0.23 0.00 0.00 178.00 179.66 1u4d h GLU 300 N 0.41 0.07 0.05 0.86 9.09 -1.91 -0.49 114.58 122.66 1u4d h GLU 300 Ca 0.44 -0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.60 1u4d h GLU 300 Cb 0.72 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1u4d h GLU 300 CO -0.44 0.04 -1.06 0.77 0.05 0.00 0.00 179.01 178.37 1u4d h SER 301 N 0.07 0.55 -0.26 3.06 0.02 -1.08 -1.53 113.55 114.39 1u4d h SER 301 Ca 0.02 -0.49 -0.16 0.00 -0.84 0.00 0.00 61.79 60.33 1u4d h SER 301 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1u4d h SER 301 CO -0.00 1.31 -0.42 -0.07 -1.14 0.00 0.00 176.83 176.51 1u4d h LEU 302 N 0.19 0.87 0.02 5.07 3.38 -1.05 -2.35 115.31 121.45 1u4d h LEU 302 Ca -0.11 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1u4d h LEU 302 Cb 1.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1u4d h LEU 302 CO 0.18 1.17 -0.01 0.50 0.09 0.00 0.00 178.44 180.38 1u4d h LYS 303 N 0.66 -0.02 0.00 1.13 3.64 -1.11 -3.41 116.57 117.46 1u4d h LYS 303 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1u4d h LYS 303 Cb 0.99 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1u4d h LYS 303 CO 0.09 0.74 -0.25 0.25 -2.27 0.00 0.00 179.45 178.01 1u4d n THR 304 N -4.71 0.88 -4.29 1.00 -2.24 -0.60 -4.99 114.28 99.34 1u4d n THR 304 Ca -0.09 -1.06 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 1u4d n THR 304 Cb 0.37 0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 1u4d n THR 304 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u4d n ARG 305 N -0.67 -0.85 -3.74 -0.78 1.74 -0.88 -4.77 116.66 106.70 1u4d n ARG 305 Ca 0.07 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 1u4d n ARG 305 Cb 0.66 -3.83 -0.07 0.00 -1.02 0.00 0.00 32.46 28.20 1u4d n ARG 305 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1u4d s THR 306 N -3.82 5.39 0.07 0.55 2.01 -1.08 -2.51 115.64 116.25 1u4d s THR 306 Ca 0.33 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.72 1u4d s THR 306 Cb -0.19 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1u4d s THR 306 CO 0.96 0.53 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.92 1u4d s PHE 307 N -0.44 1.20 0.24 4.92 0.40 -0.53 -2.83 117.98 120.94 1u4d s PHE 307 Ca 0.15 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1u4d s PHE 307 Cb -0.12 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.76 1u4d s PHE 307 CO 0.04 0.05 0.46 -1.13 0.70 0.00 0.00 175.22 175.33 1u4d n SER 308 N 1.38 -1.33 -0.21 1.36 3.41 -1.26 -1.79 113.62 115.18 1u4d n SER 308 Ca -0.21 -1.98 -0.02 0.00 -0.26 0.00 0.00 58.87 56.41 1u4d n SER 308 Cb 0.54 2.23 0.19 0.00 -0.26 0.00 0.00 64.21 66.92 1u4d n SER 308 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1u4d h HIS 309 N 1.60 0.97 -0.07 7.33 3.86 -1.92 -2.34 115.15 124.57 1u4d h HIS 309 Ca -0.20 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.91 1u4d h HIS 309 Cb 0.74 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1u4d h HIS 309 CO 0.00 0.69 -0.29 0.00 0.86 0.00 0.00 177.93 179.20 1u4d h ALA 310 N 1.41 1.39 0.01 2.45 0.00 -1.93 -1.74 119.26 120.85 1u4d h ALA 310 Ca 0.25 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1u4d h ALA 310 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u4d h ALA 310 CO -0.04 0.44 -0.98 0.66 0.00 0.00 0.00 179.25 179.33 1u4d h SER 311 N 0.12 0.57 -0.90 0.00 4.64 -1.86 -2.09 113.55 114.03 1u4d h SER 311 Ca 0.02 -0.47 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 1u4d h SER 311 Cb 0.57 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 1u4d h SER 311 CO 0.04 1.27 0.56 0.44 -0.87 0.00 0.00 176.83 178.28 1u4d h ASP 312 N 0.24 0.88 -0.63 4.97 5.19 -1.21 -2.42 116.42 123.45 1u4d h ASP 312 Ca -0.09 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 1u4d h ASP 312 Cb 1.62 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.93 1u4d h ASP 312 CO 0.17 0.56 0.24 0.74 -3.12 0.00 0.00 179.24 177.83 1u4d h THR 313 N 1.01 1.23 -0.96 0.35 2.02 -0.95 -1.23 112.91 114.39 1u4d h THR 313 Ca 0.40 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1u4d h THR 313 Cb 0.20 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1u4d h THR 313 CO -0.18 0.30 0.63 -0.25 0.37 0.00 0.00 175.52 176.39 1u4d h TRP 314 N 0.96 1.21 -0.04 3.16 2.91 -0.92 -2.43 115.95 120.80 1u4d h TRP 314 Ca 0.22 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.13 1u4d h TRP 314 Cb 0.22 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 1u4d h TRP 314 CO 0.02 0.77 -0.58 0.52 -1.03 0.00 0.00 178.44 178.14 1u4d h MET 315 N 1.30 0.12 -0.58 2.65 2.86 -0.96 -2.09 114.93 118.23 1u4d h MET 315 Ca 0.35 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1u4d h MET 315 Cb -0.14 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1u4d h MET 315 CO -0.07 0.66 -0.03 0.35 1.06 0.00 0.00 176.91 178.88 1u4d h PHE 316 N 0.09 1.13 -0.31 -0.22 3.57 -0.87 -0.54 116.94 119.79 1u4d h PHE 316 Ca -0.00 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.34 1u4d h PHE 316 Cb 1.04 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1u4d h PHE 316 CO 0.01 1.01 0.05 0.78 -2.23 0.00 0.00 178.31 177.93 1u4d h GLY 317 N 0.98 0.35 1.20 2.40 0.00 -0.92 -0.56 103.07 106.52 1u4d h GLY 317 Ca 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 1u4d h GLY 317 CO 0.03 -0.03 0.14 -2.08 0.00 0.00 0.00 176.54 174.61 1u4d h VAL 318 N 0.16 1.25 -0.69 4.60 2.07 -1.10 -1.20 116.25 121.35 1u4d h VAL 318 Ca 0.15 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1u4d h VAL 318 Cb 0.17 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1u4d h VAL 318 CO -0.20 0.35 0.33 0.74 0.02 0.00 0.00 177.57 178.80 1u4d h THR 319 N 0.94 1.23 -0.54 2.57 2.02 -0.83 0.01 112.91 118.32 1u4d h THR 319 Ca 0.20 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1u4d h THR 319 Cb 0.35 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1u4d h THR 319 CO 0.00 0.27 0.34 -0.07 0.37 0.00 0.00 175.52 176.43 1u4d h LEU 320 N 0.95 0.55 -0.98 2.58 3.38 -0.81 -1.52 115.31 119.47 1u4d h LEU 320 Ca 0.24 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1u4d h LEU 320 Cb 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1u4d h LEU 320 CO -0.03 0.39 0.64 -0.25 0.09 0.00 0.00 178.44 179.29 1u4d h TRP 321 N 0.67 1.21 -0.50 1.13 7.01 -0.88 -1.37 115.95 123.21 1u4d h TRP 321 Ca 0.21 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1u4d h TRP 321 Cb -0.01 -0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 26.62 1u4d h TRP 321 CO -0.05 0.72 0.32 0.93 -2.79 0.00 0.00 178.44 177.56 1u4d h GLU 322 N 1.26 0.68 -0.40 2.65 5.08 -0.66 -1.98 114.58 121.22 1u4d h GLU 322 Ca 0.38 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1u4d h GLU 322 Cb -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1u4d h GLU 322 CO -0.11 0.47 0.26 0.52 -1.00 0.00 0.00 179.01 179.15 1u4d h MET 323 N 0.68 0.50 -0.00 2.33 2.86 -0.76 0.31 114.93 120.85 1u4d h MET 323 Ca 0.18 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1u4d h MET 323 Cb -0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1u4d h MET 323 CO -0.04 0.33 -0.27 1.19 1.06 0.00 0.00 176.91 179.18 1u4d n PHE 324 N -4.83 0.00 0.63 -0.22 3.01 -0.56 -2.03 117.46 113.46 1u4d n PHE 324 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1u4d n PHE 324 Cb 0.03 -0.28 0.14 0.00 -0.01 0.00 0.00 39.48 39.36 1u4d n PHE 324 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1u4d n THR 325 N -1.29 0.22 -3.29 4.37 -2.24 -0.76 -4.71 114.28 106.57 1u4d n THR 325 Ca 0.08 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1u4d n THR 325 Cb 0.33 1.25 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 1u4d n THR 325 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1u4d n TYR 326 N 1.27 -2.30 -0.12 4.78 4.01 -0.86 -3.71 117.16 120.23 1u4d n TYR 326 Ca 0.15 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.64 1u4d n TYR 326 Cb 0.55 -4.45 0.00 0.00 -0.31 0.00 0.00 39.34 35.14 1u4d n TYR 326 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u4d n GLY 327 N -1.71 1.17 3.74 2.72 0.00 0.11 -3.43 105.19 107.78 1u4d n GLY 327 Ca -0.03 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1u4d n GLY 327 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u4d s GLN 328 N -0.47 2.86 -0.26 1.61 -0.21 -1.24 -4.96 119.66 116.99 1u4d s GLN 328 Ca 0.00 2.02 -0.27 0.00 0.02 0.00 0.00 55.36 57.14 1u4d s GLN 328 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1u4d s GLN 328 CO 0.00 -1.34 0.93 -2.00 -2.12 0.00 0.00 175.29 170.76 1u4d s GLU 329 N -3.23 4.17 0.23 2.91 2.12 -1.26 -4.72 118.70 118.93 1u4d s GLU 329 Ca 0.78 1.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.88 1u4d s GLU 329 Cb -0.36 -3.67 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 1u4d s GLU 329 CO 0.39 -0.63 1.40 -1.25 -0.54 0.00 0.00 175.26 174.63 1u4d s PRO 330 N 3.09 4.31 -1.45 4.30 0.04 -1.26 -2.98 135.00 141.05 1u4d s PRO 330 Ca 0.39 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 1u4d s PRO 330 Cb -0.15 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.31 1u4d s PRO 330 CO 0.08 -0.37 1.02 0.91 0.04 0.00 0.00 177.00 178.69 1u4d n TRP 331 N 2.47 -2.44 -1.64 0.56 7.02 -1.26 -4.81 117.44 117.35 1u4d n TRP 331 Ca 0.07 0.94 -0.50 0.00 -1.02 0.00 0.00 57.50 56.98 1u4d n TRP 331 Cb 0.41 -4.38 -0.05 0.00 -2.42 0.00 0.00 31.31 24.87 1u4d n TRP 331 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 1u4d n ILE 332 N -4.72 0.07 -0.98 -0.99 3.06 -1.16 -1.76 119.36 112.88 1u4d n ILE 332 Ca -0.01 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1u4d n ILE 332 Cb 0.56 -1.19 0.00 0.00 0.54 0.00 0.00 39.64 39.55 1u4d n ILE 332 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1u4d n GLY 333 N 3.12 0.76 3.89 4.50 0.00 -1.26 -5.03 105.19 111.17 1u4d n GLY 333 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1u4d n GLY 333 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u4d s LEU 334 N 0.00 4.35 0.62 0.99 1.43 -0.72 -5.12 118.68 120.23 1u4d s LEU 334 Ca 0.00 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1u4d s LEU 334 Cb 0.00 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1u4d s LEU 334 CO 0.00 0.20 0.92 0.54 0.23 0.00 0.00 176.35 178.24 1u4d s ASN 335 N -1.99 5.35 0.53 2.29 2.20 -1.26 -4.90 114.94 117.16 1u4d s ASN 335 Ca 0.31 0.59 0.27 0.00 -0.94 0.00 0.00 52.86 53.09 1u4d s ASN 335 Cb -0.13 -1.48 1.41 0.00 -2.00 0.00 0.00 41.25 39.05 1u4d s ASN 335 CO 0.20 -1.22 1.97 1.23 -2.94 0.00 0.00 177.10 176.34 1u4d h GLY 336 N -0.28 0.01 1.20 0.45 0.00 -1.99 -1.66 103.07 100.79 1u4d h GLY 336 Ca -0.45 -0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.62 1u4d h GLY 336 CO 0.60 0.00 -1.02 0.23 0.00 0.00 0.00 176.54 176.36 1u4d h SER 337 N 0.01 0.92 1.22 0.19 0.87 -1.99 -2.56 113.55 112.20 1u4d h SER 337 Ca 0.30 -0.73 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1u4d h SER 337 Cb 1.18 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1u4d h SER 337 CO -0.00 1.52 -0.44 0.06 -0.53 0.00 0.00 176.83 177.44 1u4d h GLN 338 N 0.41 0.00 -0.19 2.24 3.07 -1.71 -2.23 115.11 116.70 1u4d h GLN 338 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.57 1u4d h GLN 338 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.22 1u4d h GLN 338 CO 0.20 0.44 -0.08 0.82 0.09 0.00 0.00 178.83 180.30 1u4d h ILE 339 N 0.00 1.30 -0.58 1.86 2.04 -1.41 -1.20 117.51 119.52 1u4d h ILE 339 Ca -0.00 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1u4d h ILE 339 Cb 1.17 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1u4d h ILE 339 CO 0.06 0.33 0.37 0.25 0.00 0.00 0.00 178.15 179.16 1u4d h LEU 340 N 0.08 0.62 -0.47 1.44 5.85 -1.39 0.53 115.31 121.97 1u4d h LEU 340 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1u4d h LEU 340 Cb 0.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1u4d h LEU 340 CO 0.02 0.44 0.25 -0.74 -0.34 0.00 0.00 178.44 178.07 1u4d h HIS 341 N 0.74 0.64 -0.19 1.25 2.76 -1.18 0.14 115.15 119.31 1u4d h HIS 341 Ca 0.23 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1u4d h HIS 341 Cb -0.03 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1u4d h HIS 341 CO -0.05 0.49 0.11 0.87 -1.30 0.00 0.00 177.93 178.04 1u4d h LYS 342 N 0.61 0.27 0.03 5.26 1.57 -0.56 -0.63 116.57 123.11 1u4d h LYS 342 Ca 0.16 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 1u4d h LYS 342 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1u4d h LYS 342 CO -0.03 0.25 -1.11 -0.84 -0.57 0.00 0.00 179.45 177.16 1u4d h ILE 343 N 0.21 1.61 0.00 1.86 3.07 -0.78 0.36 117.51 123.82 1u4d h ILE 343 Ca 0.07 -3.29 -0.14 0.00 1.55 0.00 0.00 64.86 63.05 1u4d h ILE 343 Cb 0.07 2.84 -0.02 0.00 -0.27 0.00 0.00 36.82 39.44 1u4d h ILE 343 CO -0.01 0.93 -0.95 -0.78 -1.05 0.00 0.00 178.15 176.29 1u4d h ASP 344 N 0.02 0.00 0.22 2.16 3.58 -0.77 -3.32 116.42 118.31 1u4d h ASP 344 Ca -0.06 -0.29 -0.35 0.00 0.42 0.00 0.00 57.03 56.75 1u4d h ASP 344 Cb 1.83 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.86 1u4d h ASP 344 CO 0.14 1.19 -1.93 0.29 -2.88 0.00 0.00 179.24 176.05 1u4d n LYS 345 N -4.51 0.73 0.00 0.28 5.02 -0.30 -4.20 118.16 115.18 1u4d n LYS 345 Ca -0.22 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1u4d n LYS 345 Cb 0.51 -1.73 0.24 0.00 -0.02 0.00 0.00 35.03 34.03 1u4d n LYS 345 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u4d n GLU 346 N -3.36 1.66 -1.57 1.97 1.02 -0.89 -4.97 120.64 114.51 1u4d n GLU 346 Ca -0.28 -1.23 -0.14 0.00 -0.02 0.00 0.00 57.16 55.48 1u4d n GLU 346 Cb 1.05 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.94 1u4d n GLU 346 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u4d n GLY 347 N 1.32 1.06 3.78 0.62 0.00 -0.93 -4.94 105.19 106.10 1u4d n GLY 347 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1u4d n GLY 347 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u4d s GLU 348 N -3.49 3.42 0.12 1.61 2.12 0.07 -4.96 118.70 117.59 1u4d s GLU 348 Ca 0.00 1.53 0.04 0.00 0.36 0.00 0.00 54.97 56.89 1u4d s GLU 348 Cb 0.00 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 1u4d s GLU 348 CO 0.00 -0.78 -0.09 1.03 -0.54 0.00 0.00 175.26 174.88 1u4d s ARG 349 N -3.36 0.95 0.45 4.30 1.81 -1.26 -4.30 118.95 117.55 1u4d s ARG 349 Ca 0.71 -1.35 -0.25 0.00 -1.72 0.00 0.00 55.73 53.11 1u4d s ARG 349 Cb -0.22 -0.50 -0.08 0.00 -0.45 0.00 0.00 34.95 33.71 1u4d s ARG 349 CO 0.27 0.05 1.43 -0.51 -0.68 0.00 0.00 175.30 175.85 1u4d s LEU 350 N -2.97 4.11 0.69 2.53 1.43 -1.26 -4.99 118.68 118.22 1u4d s LEU 350 Ca 0.13 2.92 -0.11 0.00 -1.03 0.00 0.00 54.13 56.03 1u4d s LEU 350 Cb 0.02 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1u4d s LEU 350 CO -0.01 -1.18 1.07 -2.16 0.23 0.00 0.00 176.35 174.30 1u4d s PRO 351 N -2.45 3.00 0.03 1.29 0.04 -1.26 -4.98 135.00 130.67 1u4d s PRO 351 Ca 0.61 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1u4d s PRO 351 Cb -0.44 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1u4d s PRO 351 CO 0.56 -0.98 1.98 0.50 0.04 0.00 0.00 177.00 179.11 1u4d s ARG 352 N -5.23 4.10 0.35 4.56 3.52 -1.26 -4.92 118.95 120.08 1u4d s ARG 352 Ca 0.57 2.60 -0.27 0.00 -0.13 0.00 0.00 55.73 58.50 1u4d s ARG 352 Cb -0.12 -4.18 -0.12 0.00 -1.56 0.00 0.00 34.95 28.97 1u4d s ARG 352 CO 0.53 -1.01 1.22 -2.30 -0.81 0.00 0.00 175.30 172.94 1u4d n PRO 353 N 7.60 1.91 -1.59 5.12 -0.02 -1.26 -4.86 135.00 141.91 1u4d n PRO 353 Ca 0.20 0.67 -0.50 0.00 -2.02 0.00 0.00 63.50 61.86 1u4d n PRO 353 Cb 0.41 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1u4d n PRO 353 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1u4d n GLU 354 N 0.47 1.22 -1.05 -0.52 2.13 -1.26 -1.38 120.64 120.25 1u4d n GLU 354 Ca 0.06 0.44 -0.02 0.00 0.66 0.00 0.00 57.16 58.30 1u4d n GLU 354 Cb 0.36 -2.02 -0.01 0.00 0.27 0.00 0.00 31.44 30.04 1u4d n GLU 354 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u4d n ASP 355 N 2.32 -5.33 -4.69 4.31 8.00 -1.26 -4.95 116.55 114.94 1u4d n ASP 355 Ca 0.17 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 1u4d n ASP 355 Cb 0.22 -2.97 -0.03 0.00 -0.02 0.00 0.00 41.12 38.32 1u4d n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u4d s PRO 357 N 1.85 2.14 0.20 0.00 0.04 -1.26 -4.80 135.00 133.17 1u4d s PRO 357 Ca 0.51 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.26 1u4d s PRO 357 Cb -0.20 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1u4d s PRO 357 CO 0.21 -1.85 1.84 0.37 0.04 0.00 0.00 177.00 177.60 1u4d h GLN 358 N -0.23 0.79 -0.10 4.56 5.75 -1.99 -1.84 115.11 122.06 1u4d h GLN 358 Ca -0.48 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 57.90 1u4d h GLN 358 Cb 1.30 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1u4d h GLN 358 CO 0.50 0.53 -0.27 0.38 -2.65 0.00 0.00 178.83 177.31 1u4d h ASP 359 N 0.82 0.18 -0.10 -0.69 2.03 -1.98 0.35 116.42 117.01 1u4d h ASP 359 Ca 0.27 -0.05 -0.12 0.00 -0.73 0.00 0.00 57.03 56.41 1u4d h ASP 359 Cb 0.03 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1u4d h ASP 359 CO -0.11 0.45 -0.39 0.40 -1.03 0.00 0.00 179.24 178.56 1u4d h ILE 360 N 0.16 1.38 -0.74 4.15 1.08 -1.81 -2.92 117.51 118.82 1u4d h ILE 360 Ca 0.03 -1.73 0.01 0.00 -0.39 0.00 0.00 64.86 62.78 1u4d h ILE 360 Cb 0.57 2.19 -0.04 0.00 -3.07 0.00 0.00 36.82 36.47 1u4d h ILE 360 CO 0.04 0.51 0.49 0.22 -0.69 0.00 0.00 178.15 178.72 1u4d h TYR 361 N 0.02 0.91 -0.71 1.37 3.20 -1.00 -1.67 116.97 119.09 1u4d h TYR 361 Ca -0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1u4d h TYR 361 Cb 1.03 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1u4d h TYR 361 CO 0.12 0.56 0.35 -0.91 -1.64 0.00 0.00 178.16 176.64 1u4d h ASN 362 N 0.97 0.90 -0.69 -2.11 2.35 -0.26 -1.25 115.58 115.49 1u4d h ASN 362 Ca 0.28 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1u4d h ASN 362 Cb -0.07 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1u4d h ASN 362 CO -0.06 0.75 0.43 0.58 -1.65 0.00 0.00 177.43 177.47 1u4d h VAL 363 N 1.00 1.19 0.12 2.81 2.07 -1.12 -2.32 116.25 120.00 1u4d h VAL 363 Ca 0.25 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1u4d h VAL 363 Cb 0.08 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1u4d h VAL 363 CO -0.03 0.19 -0.18 0.24 0.02 0.00 0.00 177.57 177.81 1u4d h MET 364 N 0.93 -0.35 -0.93 1.57 2.86 -0.89 -2.30 114.93 115.83 1u4d h MET 364 Ca 0.25 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 58.03 1u4d h MET 364 Cb -0.05 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 1u4d h MET 364 CO -0.05 -0.23 0.55 0.28 1.06 0.00 0.00 176.91 178.52 1u4d h VAL 365 N -0.36 0.87 -0.18 -2.22 2.07 -1.18 -1.50 116.25 113.75 1u4d h VAL 365 Ca 0.02 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1u4d h VAL 365 Cb 0.37 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1u4d h VAL 365 CO -0.09 0.16 -0.42 1.56 0.02 0.00 0.00 177.57 178.80 1u4d h GLN 366 N 0.85 0.42 0.00 1.57 4.20 -1.15 -2.43 115.11 118.57 1u4d h GLN 366 Ca 0.47 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1u4d h GLN 366 Cb 0.51 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1u4d h GLN 366 CO -0.29 0.76 -0.02 0.00 -0.67 0.00 0.00 178.83 178.62 1u4d n TRP 368 N -4.32 2.19 -1.84 0.00 8.01 -0.83 -3.75 117.44 116.90 1u4d n TRP 368 Ca -0.03 -1.00 -0.40 0.00 -1.31 0.00 0.00 57.50 54.76 1u4d n TRP 368 Cb 0.10 -0.61 0.01 0.00 -2.01 0.00 0.00 31.31 28.80 1u4d n TRP 368 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u4d s ALA 369 N -2.74 3.34 0.12 6.99 0.00 -1.11 -4.93 121.76 123.43 1u4d s ALA 369 Ca 0.50 1.46 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 1u4d s ALA 369 Cb 0.40 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 1u4d s ALA 369 CO 0.13 -1.10 1.76 1.25 0.00 0.00 0.00 175.76 177.80 1u4d h HIS 370 N 2.57 0.13 -3.09 0.00 2.76 -1.93 -3.41 115.15 112.19 1u4d h HIS 370 Ca -0.51 0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 57.10 1u4d h HIS 370 Cb 1.26 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.13 1u4d h HIS 370 CO 0.51 0.08 0.75 0.15 -1.30 0.00 0.00 177.93 178.12 1u4d s LYS 371 N -6.18 4.31 0.36 5.26 1.02 -1.26 -4.91 119.74 118.34 1u4d s LYS 371 Ca -0.13 1.49 0.19 0.00 0.02 0.00 0.00 55.97 57.54 1u4d s LYS 371 Cb 0.08 -3.63 1.23 0.00 -0.52 0.00 0.00 37.83 34.99 1u4d s LYS 371 CO 0.68 -0.54 1.63 -1.35 -0.92 0.00 0.00 175.35 174.86 1u4d h PRO 372 N 7.53 0.17 0.00 -1.68 0.11 -1.95 -1.23 132.00 134.94 1u4d h PRO 372 Ca -0.26 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1u4d h PRO 372 Cb 1.11 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1u4d h PRO 372 CO 0.93 0.11 -0.33 0.93 -0.21 0.00 0.00 178.00 179.43 1u4d h GLU 373 N 0.17 0.00 0.00 1.05 3.07 -1.94 -1.99 114.58 114.95 1u4d h GLU 373 Ca 0.79 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1u4d h GLU 373 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1u4d h GLU 373 CO -0.65 0.33 0.00 -0.25 -1.40 0.00 0.00 179.01 177.04 1u4d n ASP 374 N -3.39 0.00 -4.75 1.42 10.43 -0.47 -4.85 116.55 114.94 1u4d n ASP 374 Ca 0.01 -0.19 -0.40 0.00 2.57 0.00 0.00 54.79 56.77 1u4d n ASP 374 Cb 0.53 -0.26 -0.06 0.00 1.84 0.00 0.00 41.12 43.17 1u4d n ASP 374 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1u4d s ARG 375 N -2.52 4.76 0.50 -1.24 3.00 -0.75 -4.89 118.95 117.81 1u4d s ARG 375 Ca 0.29 1.42 -0.21 0.00 0.00 0.00 0.00 55.73 57.23 1u4d s ARG 375 Cb 0.20 -3.30 -0.07 0.00 0.00 0.00 0.00 34.95 31.77 1u4d s ARG 375 CO 0.43 0.44 1.12 -1.25 0.00 0.00 0.00 175.30 176.04 1u4d s PRO 376 N -0.84 3.58 1.03 3.54 0.04 -1.26 -5.02 135.00 136.07 1u4d s PRO 376 Ca 0.42 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1u4d s PRO 376 Cb -0.25 -2.15 0.21 0.00 0.04 0.00 0.00 34.50 32.35 1u4d s PRO 376 CO 0.30 -0.66 1.09 0.95 0.04 0.00 0.00 177.00 178.72 1u4d s THR 377 N -1.74 2.02 0.22 1.26 -4.23 -1.26 -4.84 115.64 107.06 1u4d s THR 377 Ca 0.69 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.37 1u4d s THR 377 Cb -0.24 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.27 1u4d s THR 377 CO 0.28 -0.01 1.74 -0.26 -0.54 0.00 0.00 174.62 175.83 1u4d h PHE 378 N -2.02 0.00 0.14 3.99 -1.00 -1.91 -1.57 116.94 114.57 1u4d h PHE 378 Ca -0.56 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.21 1u4d h PHE 378 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.90 1u4d h PHE 378 CO 0.27 0.40 -0.07 0.28 -1.61 0.00 0.00 178.31 177.59 1u4d h VAL 379 N 0.00 0.95 -0.98 -0.55 2.07 -1.93 -0.16 116.25 115.66 1u4d h VAL 379 Ca -0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1u4d h VAL 379 Cb 0.87 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1u4d h VAL 379 CO 0.05 0.09 0.64 0.00 0.02 0.00 0.00 177.57 178.38 1u4d h ALA 380 N 0.46 1.28 -0.45 1.67 0.00 -1.91 -2.26 119.26 118.05 1u4d h ALA 380 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u4d h ALA 380 Cb 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u4d h ALA 380 CO 0.03 0.55 0.29 -0.07 0.00 0.00 0.00 179.25 180.04 1u4d h LEU 381 N 1.25 0.53 -1.11 0.00 3.38 -1.11 0.19 115.31 118.44 1u4d h LEU 381 Ca 0.38 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.42 1u4d h LEU 381 Cb -0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1u4d h LEU 381 CO -0.12 0.41 0.61 -0.09 0.09 0.00 0.00 178.44 179.34 1u4d h ARG 382 N 0.60 0.94 -0.01 1.13 2.43 -0.62 -0.97 114.38 117.88 1u4d h ARG 382 Ca 0.16 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1u4d h ARG 382 Cb -0.04 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1u4d h ARG 382 CO -0.03 0.62 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.33 1u4d h ASP 383 N 0.96 0.26 -0.97 -3.80 3.32 -0.81 -2.13 116.42 113.25 1u4d h ASP 383 Ca 0.45 -0.75 0.16 0.00 0.02 0.00 0.00 57.03 56.90 1u4d h ASP 383 Cb 0.41 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.79 1u4d h ASP 383 CO -0.21 0.98 0.61 -0.26 -1.72 0.00 0.00 179.24 178.64 1u4d h PHE 384 N -0.43 0.97 -0.11 4.55 0.05 -0.47 -1.77 116.94 119.73 1u4d h PHE 384 Ca -0.03 0.03 -0.23 0.00 3.82 0.00 0.00 57.97 61.56 1u4d h PHE 384 Cb 1.01 -0.30 0.01 0.00 2.00 0.00 0.00 35.95 38.67 1u4d h PHE 384 CO 0.17 0.31 -0.84 -0.07 -0.18 0.00 0.00 178.31 177.70 1u4d h LEU 385 N 0.78 0.89 -0.87 1.54 3.38 -1.11 -2.80 115.31 117.12 1u4d h LEU 385 Ca 0.51 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1u4d h LEU 385 Cb 0.75 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1u4d h LEU 385 CO -0.28 1.41 0.30 -0.07 0.09 0.00 0.00 178.44 179.89 1u4d h LEU 386 N 0.48 1.04 -1.43 1.67 3.38 -1.08 -2.51 115.31 116.87 1u4d h LEU 386 Ca -0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1u4d h LEU 386 Cb 1.47 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1u4d h LEU 386 CO 0.17 0.93 -0.08 -0.33 0.09 0.00 0.00 178.44 179.22 1u4d h GLU 387 N 1.11 0.00 0.08 1.13 5.08 -1.29 -2.20 114.58 118.48 1u4d h GLU 387 Ca 0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.35 1u4d h GLU 387 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1u4d h GLU 387 CO -0.02 0.08 -1.13 0.00 -1.00 0.00 0.00 179.01 176.94 1u4d h ALA 388 N 1.92 0.17 0.00 3.43 0.00 -1.22 -3.51 119.26 120.05 1u4d h ALA 388 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1u4d h ALA 388 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u4d h ALA 388 CO 0.01 0.82 0.00 1.04 0.00 0.00 0.00 179.25 181.12