#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du3 s ARG 121 N 0.00 4.56 -0.24 -1.09 0.52 -1.26 -5.01 118.95 116.43 1du3 s ARG 121 Ca 0.00 1.91 0.02 0.00 -0.52 0.00 0.00 55.73 57.14 1du3 s ARG 121 Cb 0.00 -3.15 0.05 0.00 0.52 0.00 0.00 34.95 32.37 1du3 s ARG 121 CO 0.00 0.11 -0.12 0.08 0.02 0.00 0.00 175.30 175.39 1du3 s VAL 122 N -1.16 2.06 0.04 3.52 1.01 -1.26 -4.13 120.40 120.48 1du3 s VAL 122 Ca 0.46 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 1du3 s VAL 122 Cb -0.34 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.00 1du3 s VAL 122 CO 0.44 0.05 1.16 0.00 0.00 0.00 0.00 175.10 176.74 1du3 s ALA 123 N 1.17 -2.01 -0.28 5.51 0.00 -0.47 -2.14 121.76 123.54 1du3 s ALA 123 Ca -0.06 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 1du3 s ALA 123 Cb -0.19 0.44 0.13 0.00 0.00 0.00 0.00 23.12 23.49 1du3 s ALA 123 CO -0.06 -1.02 1.02 0.00 0.00 0.00 0.00 175.76 175.70 1du3 s ALA 124 N -2.75 -2.02 -0.06 0.00 0.00 -0.40 -0.52 121.76 116.00 1du3 s ALA 124 Ca 0.13 1.95 -0.00 0.00 0.00 0.00 0.00 51.96 54.03 1du3 s ALA 124 Cb 0.02 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1du3 s ALA 124 CO -0.02 -0.26 -0.03 -1.58 0.00 0.00 0.00 175.76 173.87 1du3 s HIS 125 N 0.45 0.84 -0.03 0.00 5.04 -0.82 -1.37 115.29 119.41 1du3 s HIS 125 Ca 0.01 -0.27 0.02 0.00 -1.54 0.00 0.00 55.06 53.27 1du3 s HIS 125 Cb -0.05 -0.81 0.01 0.00 0.04 0.00 0.00 32.58 31.77 1du3 s HIS 125 CO -0.08 -0.29 -0.06 0.96 -2.34 0.00 0.00 174.74 172.93 1du3 s ILE 126 N 1.43 0.55 0.41 0.89 -4.36 0.12 -0.19 121.20 120.04 1du3 s ILE 126 Ca -0.03 -0.20 0.08 0.00 -0.26 0.00 0.00 60.65 60.24 1du3 s ILE 126 Cb -0.13 -0.53 -0.03 0.00 1.25 0.00 0.00 42.46 43.02 1du3 s ILE 126 CO -0.03 0.20 0.30 0.42 0.24 0.00 0.00 174.94 176.07 1du3 s THR 127 N 0.48 2.62 0.63 8.37 -4.23 -1.26 -0.05 115.64 122.19 1du3 s THR 127 Ca -0.06 -1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 1du3 s THR 127 Cb -0.10 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1du3 s THR 127 CO 0.00 -0.02 1.10 -0.83 -0.54 0.00 0.00 174.62 174.33 1du3 s GLY 128 N -4.04 2.23 -0.04 3.99 0.00 -0.30 0.10 107.32 109.25 1du3 s GLY 128 Ca 0.45 0.56 0.06 0.00 0.00 0.00 0.00 44.72 45.79 1du3 s GLY 128 CO 0.26 0.90 -0.20 -0.51 0.00 0.00 0.00 173.10 173.55 1du3 s THR 129 N -2.27 2.56 0.00 0.90 -4.23 -1.11 -3.15 115.64 108.34 1du3 s THR 129 Ca 0.67 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1du3 s THR 129 Cb -0.20 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1du3 s THR 129 CO 0.38 0.58 0.00 -1.14 -0.54 0.00 0.00 174.62 173.90 1du3 n ARG 130 N 2.44 0.00 0.00 3.99 0.63 -1.24 -4.77 116.66 117.71 1du3 n ARG 130 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1du3 n ARG 130 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1du3 n ARG 130 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1du3 n GLY 131 N 0.00 3.10 3.75 5.14 0.00 -1.26 -4.94 105.19 110.97 1du3 n GLY 131 Ca 0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 1du3 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1du3 s ARG 132 N -2.55 1.92 0.11 1.61 3.52 -1.26 -3.02 118.95 119.29 1du3 s ARG 132 Ca 0.00 1.12 -0.11 0.00 -0.13 0.00 0.00 55.73 56.61 1du3 s ARG 132 Cb 0.00 -1.86 -0.06 0.00 -1.56 0.00 0.00 34.95 31.47 1du3 s ARG 132 CO 0.00 -1.86 0.46 -1.54 -0.81 0.00 0.00 175.30 171.54 1du3 s SER 133 N -3.34 6.70 0.09 -2.12 1.04 -1.26 -4.91 113.70 109.90 1du3 s SER 133 Ca 0.62 0.89 -0.24 0.00 0.48 0.00 0.00 55.95 57.70 1du3 s SER 133 Cb -0.18 -2.21 -0.13 0.00 0.10 0.00 0.00 66.02 63.59 1du3 s SER 133 CO 0.56 0.13 0.53 0.59 0.98 0.00 0.00 173.24 176.04 1du3 n ASN 134 N 0.79 -0.59 -1.64 7.02 3.02 -1.26 -5.13 115.26 117.46 1du3 n ASN 134 Ca -0.06 0.84 -0.16 0.00 -0.03 0.00 0.00 54.58 55.17 1du3 n ASN 134 Cb 0.52 -0.69 0.10 0.00 -0.61 0.00 0.00 39.78 39.10 1du3 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1du3 n THR 135 N 0.40 2.64 0.00 3.41 -2.24 -1.26 -5.26 114.28 111.98 1du3 n THR 135 Ca 0.14 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.38 1du3 n THR 135 Cb 0.14 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1du3 n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1du3 n ALA 146 N -0.90 -0.03 -2.95 6.98 0.00 -1.26 -5.35 120.51 117.00 1du3 n ALA 146 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 1du3 n ALA 146 Cb 0.91 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 1du3 n ALA 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1du3 s LEU 147 N -1.23 4.31 0.55 0.00 1.43 -1.26 -4.98 118.68 117.50 1du3 s LEU 147 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1du3 s LEU 147 Cb 0.00 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1du3 s LEU 147 CO 0.00 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1du3 n GLY 148 N -0.84 -2.91 3.77 -3.19 0.00 -1.26 -4.64 105.19 96.11 1du3 n GLY 148 Ca -0.08 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1du3 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du3 s ARG 149 N -3.78 4.68 0.12 1.61 3.00 0.45 -4.66 118.95 120.37 1du3 s ARG 149 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 55.73 56.72 1du3 s ARG 149 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 34.95 31.62 1du3 s ARG 149 CO 0.00 0.55 1.04 0.21 0.00 0.00 0.00 175.30 177.10 1du3 s LYS 150 N -1.15 4.62 -0.13 3.54 2.20 -1.26 -0.51 119.74 127.04 1du3 s LYS 150 Ca 0.38 1.59 -0.26 0.00 -0.36 0.00 0.00 55.97 57.31 1du3 s LYS 150 Cb -0.24 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1du3 s LYS 150 CO 0.29 0.08 0.87 0.42 -0.36 0.00 0.00 175.35 176.65 1du3 s ILE 151 N 0.12 4.87 0.00 5.43 1.01 -0.73 -4.90 121.20 127.01 1du3 s ILE 151 Ca 0.50 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.89 1du3 s ILE 151 Cb -0.26 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1du3 s ILE 151 CO 0.31 0.05 0.59 -0.46 0.00 0.00 0.00 174.94 175.44 1du3 n ASN 152 N 4.93 1.00 -3.11 3.58 0.23 -1.26 -4.64 115.26 115.99 1du3 n ASN 152 Ca 0.05 -1.34 -0.40 0.00 -0.53 0.00 0.00 54.58 52.35 1du3 n ASN 152 Cb 0.49 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.23 1du3 n ASN 152 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1du3 n SER 153 N -0.17 7.48 -4.93 0.53 3.41 -1.26 -4.00 113.62 114.68 1du3 n SER 153 Ca 0.00 -3.80 -0.25 0.00 -0.26 0.00 0.00 58.87 54.56 1du3 n SER 153 Cb 0.22 -1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 1du3 n SER 153 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1du3 s TRP 154 N -4.14 3.50 1.26 7.33 0.23 -1.26 -3.51 118.94 122.34 1du3 s TRP 154 Ca 0.49 0.44 -0.19 0.00 -2.03 0.00 0.00 56.10 54.80 1du3 s TRP 154 Cb 0.37 -1.96 0.31 0.00 0.03 0.00 0.00 33.47 32.22 1du3 s TRP 154 CO -0.34 0.11 1.05 -1.21 0.96 0.00 0.00 176.95 177.52 1du3 s GLU 155 N -4.16 -1.66 0.14 4.98 0.41 0.11 -4.88 118.70 113.65 1du3 s GLU 155 Ca 0.41 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.07 1du3 s GLU 155 Cb -0.10 -1.53 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 1du3 s GLU 155 CO 0.35 -4.03 0.00 -1.13 -0.49 0.00 0.00 175.26 169.96 1du3 n SER 156 N -5.02 -0.31 -3.88 -0.19 3.41 -1.26 -4.73 113.62 101.64 1du3 n SER 156 Ca 0.12 0.24 -0.23 0.00 -0.26 0.00 0.00 58.87 58.74 1du3 n SER 156 Cb 0.59 0.42 0.07 0.00 -0.26 0.00 0.00 64.21 65.03 1du3 n SER 156 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1du3 n SER 157 N -2.93 -2.64 -4.80 4.04 3.41 -1.26 -4.66 113.62 104.78 1du3 n SER 157 Ca 0.00 -0.11 -0.38 0.00 -0.26 0.00 0.00 58.87 58.12 1du3 n SER 157 Cb 0.00 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 1du3 n SER 157 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1du3 s ARG 158 N -2.58 4.31 0.00 4.33 3.00 -1.26 -4.62 118.95 122.13 1du3 s ARG 158 Ca 0.30 0.89 0.00 0.00 -1.00 0.00 0.00 55.73 55.91 1du3 s ARG 158 Cb 0.01 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.85 1du3 s ARG 158 CO 0.41 0.53 0.00 -1.13 0.00 0.00 0.00 175.30 175.11 1du3 n SER 159 N 1.29 0.06 -0.86 -2.12 3.41 -1.04 -5.03 113.62 109.33 1du3 n SER 159 Ca -0.06 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.63 1du3 n SER 159 Cb 0.50 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.70 1du3 n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1du3 n GLY 160 N 0.00 4.18 0.00 5.00 0.00 -1.26 -4.50 105.19 108.61 1du3 n GLY 160 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1du3 n GLY 160 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1du3 n HIS 161 N -0.64 0.00 -3.67 1.61 1.44 -1.26 -5.11 115.22 107.59 1du3 n HIS 161 Ca 0.22 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.80 1du3 n HIS 161 Cb 0.89 0.09 -0.08 0.00 0.12 0.00 0.00 29.99 31.01 1du3 n HIS 161 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1du3 s SER 162 N 0.00 -0.62 0.18 4.39 1.04 -1.26 -4.60 113.70 112.83 1du3 s SER 162 Ca 0.00 1.19 -0.08 0.00 0.48 0.00 0.00 55.95 57.54 1du3 s SER 162 Cb 0.00 1.20 -0.01 0.00 0.10 0.00 0.00 66.02 67.30 1du3 s SER 162 CO 0.00 -0.20 0.27 0.72 0.98 0.00 0.00 173.24 175.01 1du3 s PHE 163 N 0.33 0.54 -0.09 5.02 -0.71 0.73 -2.51 117.98 121.29 1du3 s PHE 163 Ca -0.00 -0.88 -0.01 0.00 -1.04 0.00 0.00 56.93 55.00 1du3 s PHE 163 Cb -0.04 -0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1du3 s PHE 163 CO 0.00 -0.74 -0.04 -0.51 -1.34 0.00 0.00 175.22 172.60 1du3 s LEU 164 N -3.01 0.90 -0.26 -1.99 1.43 -1.26 -1.94 118.68 112.55 1du3 s LEU 164 Ca 0.22 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1du3 s LEU 164 Cb 0.04 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.69 1du3 s LEU 164 CO 0.03 -0.15 0.03 -0.55 0.23 0.00 0.00 176.35 175.94 1du3 s SER 165 N 1.82 3.75 -1.07 2.29 0.15 0.32 -4.72 113.70 116.24 1du3 s SER 165 Ca 0.05 -1.32 -0.05 0.00 0.70 0.00 0.00 55.95 55.33 1du3 s SER 165 Cb -0.12 -0.97 0.01 0.00 -1.71 0.00 0.00 66.02 63.22 1du3 s SER 165 CO -0.07 -0.32 0.62 0.59 1.20 0.00 0.00 173.24 175.26 1du3 n ASN 166 N 4.79 -5.02 -2.98 5.45 3.02 -1.26 -1.37 115.26 117.89 1du3 n ASN 166 Ca -0.07 -0.28 -0.12 0.00 -0.03 0.00 0.00 54.58 54.08 1du3 n ASN 166 Cb 0.44 -3.76 -0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1du3 n ASN 166 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1du3 s LEU 167 N -5.23 0.52 0.06 3.41 1.02 -1.26 -4.32 118.68 112.88 1du3 s LEU 167 Ca 0.31 -1.36 -0.27 0.00 0.02 0.00 0.00 54.13 52.83 1du3 s LEU 167 Cb -0.13 2.22 0.09 0.00 0.02 0.00 0.00 46.19 48.38 1du3 s LEU 167 CO 0.38 -1.54 0.95 -1.38 0.02 0.00 0.00 176.35 174.77 1du3 s HIS 168 N -2.52 -0.23 0.01 0.29 -3.43 -1.21 -4.94 115.29 103.26 1du3 s HIS 168 Ca 0.23 0.03 0.04 0.00 -0.80 0.00 0.00 55.06 54.55 1du3 s HIS 168 Cb -0.03 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.67 1du3 s HIS 168 CO 0.16 -0.65 -0.10 -1.17 -2.00 0.00 0.00 174.74 170.99 1du3 s LEU 169 N -2.70 3.00 -0.31 5.38 2.96 -1.26 -0.45 118.68 125.31 1du3 s LEU 169 Ca 0.09 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1du3 s LEU 169 Cb -0.01 -1.72 0.15 0.00 0.50 0.00 0.00 46.19 45.11 1du3 s LEU 169 CO -0.04 0.28 0.35 -0.60 -1.32 0.00 0.00 176.35 175.03 1du3 s ARG 170 N -1.36 0.42 -0.72 1.98 6.06 -0.30 -4.90 118.95 120.13 1du3 s ARG 170 Ca 0.16 -0.21 -0.04 0.00 -2.50 0.00 0.00 55.73 53.14 1du3 s ARG 170 Cb -0.11 -0.55 0.00 0.00 0.06 0.00 0.00 34.95 34.35 1du3 s ARG 170 CO 0.06 -1.07 0.62 0.09 -2.50 0.00 0.00 175.30 172.51 1du3 n ASN 171 N 5.10 -4.03 -0.39 -2.12 5.03 -1.26 -3.14 115.26 114.45 1du3 n ASN 171 Ca 0.02 -0.30 -0.05 0.00 0.87 0.00 0.00 54.58 55.12 1du3 n ASN 171 Cb 0.47 -2.94 -0.02 0.00 -1.02 0.00 0.00 39.78 36.27 1du3 n ASN 171 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1du3 n GLY 172 N -1.28 0.77 3.24 7.41 0.00 -1.26 -4.73 105.19 109.34 1du3 n GLY 172 Ca -0.02 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1du3 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du3 s GLU 173 N -2.13 3.13 0.21 1.61 2.02 -1.19 -4.56 118.70 117.80 1du3 s GLU 173 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 1du3 s GLU 173 Cb 0.00 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 1du3 s GLU 173 CO 0.00 0.11 1.01 -0.51 0.02 0.00 0.00 175.26 175.89 1du3 s LEU 174 N 0.53 4.57 -0.13 1.80 1.43 0.28 -1.16 118.68 126.00 1du3 s LEU 174 Ca -0.12 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 1du3 s LEU 174 Cb -0.17 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.44 1du3 s LEU 174 CO 0.04 -0.02 -0.18 -0.69 0.23 0.00 0.00 176.35 175.73 1du3 s VAL 175 N -0.74 2.50 0.18 -1.59 1.01 0.41 -0.89 120.40 121.28 1du3 s VAL 175 Ca 0.45 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1du3 s VAL 175 Cb -0.27 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1du3 s VAL 175 CO 0.34 0.54 1.21 -0.63 0.00 0.00 0.00 175.10 176.55 1du3 s ILE 176 N 0.55 3.56 -0.13 2.22 -1.09 -0.47 -3.32 121.20 122.51 1du3 s ILE 176 Ca -0.11 1.30 0.10 0.00 -2.23 0.00 0.00 60.65 59.70 1du3 s ILE 176 Cb -0.16 -3.83 -0.15 0.00 -1.58 0.00 0.00 42.46 36.74 1du3 s ILE 176 CO 0.04 0.20 0.02 1.41 -1.23 0.00 0.00 174.94 175.38 1du3 n HIS 177 N 2.59 0.00 -4.68 3.97 8.25 -1.26 -0.18 115.22 123.91 1du3 n HIS 177 Ca 0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.25 1du3 n HIS 177 Cb 0.45 -0.63 -0.14 0.00 1.12 0.00 0.00 29.99 30.79 1du3 n HIS 177 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1du3 s GLU 178 N -2.31 1.39 0.21 -0.41 2.02 -1.26 -4.75 118.70 113.59 1du3 s GLU 178 Ca -0.08 -0.88 -0.16 0.00 0.02 0.00 0.00 54.97 53.87 1du3 s GLU 178 Cb 0.04 -1.47 -0.08 0.00 0.10 0.00 0.00 34.13 32.73 1du3 s GLU 178 CO 0.50 0.38 0.65 -1.59 0.02 0.00 0.00 175.26 175.22 1du3 s LYS 179 N -1.04 4.08 0.00 1.61 -2.85 -1.26 -4.56 119.74 115.71 1du3 s LYS 179 Ca 0.07 0.65 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1du3 s LYS 179 Cb -0.08 -2.80 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 1du3 s LYS 179 CO 0.01 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.25 1du3 n GLY 180 N 0.50 -1.67 3.76 0.59 0.00 -0.98 -5.01 105.19 102.38 1du3 n GLY 180 Ca -0.02 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 1du3 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1du3 s PHE 181 N -2.76 3.95 -0.04 1.61 0.08 -1.25 -2.03 117.98 117.54 1du3 s PHE 181 Ca 0.00 1.79 0.01 0.00 0.12 0.00 0.00 56.93 58.86 1du3 s PHE 181 Cb 0.00 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 1du3 s PHE 181 CO 0.00 0.48 -0.05 0.71 -0.10 0.00 0.00 175.22 176.26 1du3 s TYR 182 N -1.15 0.71 -0.08 0.36 1.51 -0.22 -1.99 117.35 116.49 1du3 s TYR 182 Ca 0.39 -0.18 -0.23 0.00 -1.01 0.00 0.00 57.07 56.04 1du3 s TYR 182 Cb -0.25 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1du3 s TYR 182 CO 0.29 -0.15 0.68 -0.47 -1.11 0.00 0.00 175.55 174.79 1du3 s TYR 183 N 0.70 3.56 -0.07 2.71 5.04 0.75 -1.62 117.35 128.41 1du3 s TYR 183 Ca -0.09 1.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 1du3 s TYR 183 Cb -0.12 -2.78 0.01 0.00 0.35 0.00 0.00 41.96 39.41 1du3 s TYR 183 CO 0.00 0.08 -0.15 0.42 -1.34 0.00 0.00 175.55 174.56 1du3 s ILE 184 N 0.85 1.35 0.14 3.14 1.01 0.28 -0.48 121.20 127.48 1du3 s ILE 184 Ca 0.36 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1du3 s ILE 184 Cb -0.17 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1du3 s ILE 184 CO 0.17 0.40 0.16 -0.72 0.00 0.00 0.00 174.94 174.95 1du3 s TYR 185 N 0.56 0.58 -0.28 3.97 1.13 -0.62 -1.92 117.35 120.77 1du3 s TYR 185 Ca -0.15 -0.97 -0.22 0.00 -1.41 0.00 0.00 57.07 54.32 1du3 s TYR 185 Cb -0.16 -0.26 0.10 0.00 -1.10 0.00 0.00 41.96 40.54 1du3 s TYR 185 CO 0.05 -0.60 0.88 0.45 -2.51 0.00 0.00 175.55 173.82 1du3 s SER 186 N -2.99 -0.62 -0.13 -0.18 0.15 -0.85 -1.76 113.70 107.31 1du3 s SER 186 Ca 0.18 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.94 1du3 s SER 186 Cb 0.06 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 1du3 s SER 186 CO -0.01 -0.19 -0.07 -1.58 1.20 0.00 0.00 173.24 172.59 1du3 s GLN 187 N 0.69 3.45 -0.08 5.44 0.74 -1.09 -3.06 119.66 125.75 1du3 s GLN 187 Ca -0.02 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.83 1du3 s GLN 187 Cb -0.05 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.30 1du3 s GLN 187 CO -0.08 0.30 -0.09 0.95 -0.55 0.00 0.00 175.29 175.81 1du3 s THR 188 N 0.18 1.00 -0.34 -0.34 -4.23 -0.73 -1.16 115.64 110.02 1du3 s THR 188 Ca -0.04 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 1du3 s THR 188 Cb -0.14 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1du3 s THR 188 CO 0.04 0.34 0.23 -0.47 -0.54 0.00 0.00 174.62 174.21 1du3 s TYR 189 N 1.12 3.22 -0.38 3.99 5.04 -1.25 -0.94 117.35 128.15 1du3 s TYR 189 Ca -0.06 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.08 1du3 s TYR 189 Cb -0.14 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 39.71 1du3 s TYR 189 CO -0.01 -0.40 0.45 -0.06 -1.34 0.00 0.00 175.55 174.19 1du3 s PHE 190 N 1.70 3.18 -0.09 4.97 0.08 -0.95 -1.07 117.98 125.79 1du3 s PHE 190 Ca 0.06 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1du3 s PHE 190 Cb -0.17 -2.87 0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1du3 s PHE 190 CO 0.10 -0.59 -0.05 0.50 -0.10 0.00 0.00 175.22 175.08 1du3 s ARG 191 N 2.22 1.14 0.01 0.44 3.52 -0.41 -0.77 118.95 125.10 1du3 s ARG 191 Ca 0.15 -0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 55.55 1du3 s ARG 191 Cb -0.16 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 1du3 s ARG 191 CO 0.13 -0.25 0.16 -0.59 -0.81 0.00 0.00 175.30 173.94 1du3 s PHE 192 N 1.70 0.04 -0.95 5.12 -0.12 -0.60 -4.75 117.98 118.42 1du3 s PHE 192 Ca 0.03 -0.15 -0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1du3 s PHE 192 Cb -0.13 -0.04 0.32 0.00 -0.63 0.00 0.00 43.02 42.54 1du3 s PHE 192 CO -0.06 -0.33 1.61 0.94 -0.05 0.00 0.00 175.22 177.34 1du3 n GLN 193 N 1.26 4.90 -1.64 1.99 -0.06 -1.26 -0.60 117.38 121.97 1du3 n GLN 193 Ca -0.22 -4.69 -0.46 0.00 -2.00 0.00 0.00 57.00 49.63 1du3 n GLN 193 Cb 0.56 -2.43 -0.03 0.00 -4.06 0.00 0.00 30.24 24.28 1du3 n GLN 193 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1du3 n GLU 194 N 0.09 1.77 -4.62 3.69 0.28 -1.07 -4.88 120.64 115.89 1du3 n GLU 194 Ca 0.41 0.63 -0.32 0.00 -0.16 0.00 0.00 57.16 57.72 1du3 n GLU 194 Cb 0.29 -2.22 -0.16 0.00 1.43 0.00 0.00 31.44 30.78 1du3 n GLU 194 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1du3 s GLU 195 N -0.59 2.97 -0.63 3.44 8.01 -1.26 -4.41 118.70 126.22 1du3 s GLU 195 Ca 0.68 -0.84 -0.26 0.00 0.01 0.00 0.00 54.97 54.56 1du3 s GLU 195 Cb -0.70 -2.41 -0.08 0.00 -4.31 0.00 0.00 34.13 26.63 1du3 s GLU 195 CO 0.52 -0.03 2.31 0.42 0.01 0.00 0.00 175.26 178.49 1du3 s ILE 196 N 0.86 3.08 0.00 -1.63 -1.09 -1.26 -4.94 121.20 116.21 1du3 s ILE 196 Ca -0.06 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1du3 s ILE 196 Cb -0.15 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1du3 s ILE 196 CO -0.03 -0.19 0.00 0.29 -1.23 0.00 0.00 174.94 173.79 1du3 n LYS 197 N 8.96 -0.46 0.00 2.79 5.02 -1.26 -5.07 118.16 128.14 1du3 n LYS 197 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1du3 n LYS 197 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1du3 n LYS 197 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1du3 n GLU 198 N -1.18 0.00 -0.31 1.97 4.71 -1.26 -4.79 120.64 119.78 1du3 n GLU 198 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1du3 n GLU 198 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1du3 n GLU 198 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1du3 n ASN 199 N -0.81 3.47 -3.67 1.62 5.15 -1.26 -4.75 115.26 115.01 1du3 n ASN 199 Ca 0.00 -1.90 -0.10 0.00 -0.60 0.00 0.00 54.58 51.98 1du3 n ASN 199 Cb 0.00 -0.73 -0.03 0.00 -0.53 0.00 0.00 39.78 38.50 1du3 n ASN 199 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1du3 s THR 200 N 0.64 0.01 -0.09 -0.44 -4.23 -1.26 -5.16 115.64 105.11 1du3 s THR 200 Ca 0.00 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 1du3 s THR 200 Cb 0.00 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 1du3 s THR 200 CO 0.00 -0.05 0.29 -0.54 -0.54 0.00 0.00 174.62 173.77 1du3 s LYS 201 N -3.85 3.89 0.00 3.99 1.02 -1.26 -4.81 119.74 118.72 1du3 s LYS 201 Ca 0.07 0.14 0.23 0.00 0.02 0.00 0.00 55.97 56.42 1du3 s LYS 201 Cb -0.02 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 34.09 1du3 s LYS 201 CO -0.04 0.57 1.13 0.09 -0.92 0.00 0.00 175.35 176.18 1du3 n ASN 202 N 2.46 1.44 -4.69 2.83 3.02 -1.26 -4.93 115.26 114.13 1du3 n ASN 202 Ca -0.15 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 1du3 n ASN 202 Cb 0.53 0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 40.24 1du3 n ASN 202 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1du3 s ASP 203 N -2.69 6.52 0.02 6.41 -4.77 -1.26 -4.98 116.67 115.92 1du3 s ASP 203 Ca 0.15 2.62 0.06 0.00 -3.30 0.00 0.00 52.55 52.08 1du3 s ASP 203 Cb 0.18 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.41 1du3 s ASP 203 CO 0.67 -0.94 -0.17 -0.54 0.70 0.00 0.00 175.17 174.88 1du3 s LYS 204 N 2.68 2.16 -0.38 2.11 1.02 -1.26 -5.01 119.74 121.05 1du3 s LYS 204 Ca 0.77 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.81 1du3 s LYS 204 Cb -0.43 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1du3 s LYS 204 CO 0.34 0.56 0.15 -0.65 -0.92 0.00 0.00 175.35 174.83 1du3 s GLN 205 N -1.31 2.11 -0.32 1.68 -0.21 -1.26 -1.97 119.66 118.38 1du3 s GLN 205 Ca 0.14 -1.66 -0.19 0.00 0.02 0.00 0.00 55.36 53.66 1du3 s GLN 205 Cb -0.11 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 1du3 s GLN 205 CO 0.05 -0.95 0.58 -1.64 -2.12 0.00 0.00 175.29 171.21 1du3 s MET 206 N 1.17 3.80 -0.01 2.91 -1.94 -0.73 -4.69 119.30 119.81 1du3 s MET 206 Ca 0.05 0.12 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 1du3 s MET 206 Cb -0.22 -3.76 -0.00 0.00 2.01 0.00 0.00 34.83 32.86 1du3 s MET 206 CO -0.03 -0.60 -0.07 0.08 -0.01 0.00 0.00 175.02 174.39 1du3 s VAL 207 N 2.54 0.55 -0.15 -6.03 1.01 -1.26 -1.09 120.40 115.96 1du3 s VAL 207 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1du3 s VAL 207 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1du3 s VAL 207 CO 0.13 0.16 -0.13 -1.58 0.00 0.00 0.00 175.10 173.67 1du3 s GLN 208 N -0.13 3.31 -0.05 2.72 0.74 -0.17 -2.25 119.66 123.83 1du3 s GLN 208 Ca 0.02 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1du3 s GLN 208 Cb -0.03 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 1du3 s GLN 208 CO -0.00 0.08 -0.12 0.71 -0.55 0.00 0.00 175.29 175.41 1du3 s TYR 209 N 0.69 2.78 -0.21 1.67 2.02 0.17 -1.92 117.35 122.56 1du3 s TYR 209 Ca -0.06 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1du3 s TYR 209 Cb -0.15 -1.65 0.05 0.00 -0.40 0.00 0.00 41.96 39.80 1du3 s TYR 209 CO 0.02 0.24 -0.07 0.42 -1.57 0.00 0.00 175.55 174.59 1du3 s ILE 210 N -0.76 1.44 0.53 2.71 1.01 -0.76 -0.58 121.20 124.77 1du3 s ILE 210 Ca 0.12 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.84 1du3 s ILE 210 Cb -0.11 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1du3 s ILE 210 CO 0.01 0.04 0.41 -0.31 0.00 0.00 0.00 174.94 175.09 1du3 s TYR 211 N 1.47 1.76 0.02 3.97 2.02 -0.25 -1.04 117.35 125.30 1du3 s TYR 211 Ca -0.03 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.82 1du3 s TYR 211 Cb -0.17 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1du3 s TYR 211 CO -0.07 -0.45 0.12 -1.59 -1.57 0.00 0.00 175.55 172.00 1du3 s LYS 212 N -4.27 0.54 -0.22 -0.62 -2.85 -0.43 -2.23 119.74 109.66 1du3 s LYS 212 Ca 0.37 -0.57 0.02 0.00 -1.00 0.00 0.00 55.97 54.79 1du3 s LYS 212 Cb -0.02 0.22 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1du3 s LYS 212 CO 0.23 -0.14 -0.13 0.71 0.10 0.00 0.00 175.35 176.12 1du3 s TYR 213 N -1.99 2.88 0.00 1.78 2.02 0.25 -1.07 117.35 121.22 1du3 s TYR 213 Ca -0.10 -1.94 0.00 0.00 -0.37 0.00 0.00 57.07 54.66 1du3 s TYR 213 Cb -0.05 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1du3 s TYR 213 CO -0.01 -0.82 0.00 -2.37 -1.57 0.00 0.00 175.55 170.77 1du3 n THR 214 N 4.56 0.00 -0.47 -0.71 5.66 -1.26 0.07 114.28 122.12 1du3 n THR 214 Ca -0.16 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.73 1du3 n THR 214 Cb 0.45 -0.13 -0.03 0.00 -1.55 0.00 0.00 70.33 69.07 1du3 n THR 214 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1du3 n SER 215 N -1.10 2.98 -3.75 1.09 3.41 -1.26 -4.71 113.62 110.27 1du3 n SER 215 Ca 0.00 -2.11 -0.13 0.00 -0.26 0.00 0.00 58.87 56.37 1du3 n SER 215 Cb 0.00 -0.80 -0.13 0.00 -0.26 0.00 0.00 64.21 63.03 1du3 n SER 215 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1du3 s TYR 216 N 3.33 -0.29 0.35 7.33 5.04 -1.26 -5.07 117.35 126.79 1du3 s TYR 216 Ca 0.27 0.70 0.15 0.00 -2.44 0.00 0.00 57.07 55.76 1du3 s TYR 216 Cb 0.09 0.05 1.17 0.00 0.35 0.00 0.00 41.96 43.62 1du3 s TYR 216 CO -0.02 -0.19 1.58 -1.35 -1.34 0.00 0.00 175.55 174.23 1du3 h PRO 217 N 6.76 0.01 -6.26 4.97 0.11 -2.03 -3.43 132.00 132.13 1du3 h PRO 217 Ca -0.36 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.17 1du3 h PRO 217 Cb 1.17 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1du3 h PRO 217 CO 0.38 0.01 -0.61 -0.51 -0.21 0.00 0.00 178.00 177.06 1du3 s ASP 218 N -4.67 5.11 0.33 -2.05 1.01 -1.26 -5.11 116.67 110.03 1du3 s ASP 218 Ca -0.10 -0.30 -0.29 0.00 0.71 0.00 0.00 52.55 52.57 1du3 s ASP 218 Cb 0.33 -1.20 -0.10 0.00 1.01 0.00 0.00 42.92 42.95 1du3 s ASP 218 CO 0.78 0.06 1.27 -2.16 0.21 0.00 0.00 175.17 175.33 1du3 s PRO 219 N -3.18 4.37 -0.21 8.23 0.04 -1.26 -4.79 135.00 138.20 1du3 s PRO 219 Ca 0.30 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.45 1du3 s PRO 219 Cb -0.09 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1du3 s PRO 219 CO 0.21 -0.14 -0.10 0.42 0.04 0.00 0.00 177.00 177.43 1du3 s ILE 220 N -1.16 2.85 0.28 0.56 1.01 -0.23 -4.88 121.20 119.62 1du3 s ILE 220 Ca 0.49 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1du3 s ILE 220 Cb -0.38 -2.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1du3 s ILE 220 CO 0.50 0.42 1.46 -0.22 0.00 0.00 0.00 174.94 177.11 1du3 s LEU 221 N 1.39 4.38 -0.17 2.97 2.96 -1.26 -1.32 118.68 127.63 1du3 s LEU 221 Ca 0.04 2.76 -0.09 0.00 -0.22 0.00 0.00 54.13 56.63 1du3 s LEU 221 Cb -0.14 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.84 1du3 s LEU 221 CO -0.07 -0.75 -0.22 0.18 -1.32 0.00 0.00 176.35 174.18 1du3 n LEU 222 N 2.00 1.24 -3.86 -0.68 4.77 -0.20 -4.92 117.00 115.34 1du3 n LEU 222 Ca 0.06 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1du3 n LEU 222 Cb 0.40 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1du3 n LEU 222 CO 0.61 0.30 -0.13 -0.04 -1.33 0.00 0.00 177.39 176.80 1du3 s MET 223 N -2.33 0.62 -0.01 3.23 -1.94 -1.09 -5.02 119.30 112.76 1du3 s MET 223 Ca -0.24 -0.57 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1du3 s MET 223 Cb 0.09 0.25 -0.00 0.00 2.01 0.00 0.00 34.83 37.18 1du3 s MET 223 CO 0.30 -0.17 0.03 -1.59 -0.01 0.00 0.00 175.02 173.59 1du3 s LYS 224 N -2.19 0.15 -0.04 2.03 -2.85 -1.26 -1.83 119.74 113.75 1du3 s LYS 224 Ca -0.08 -0.13 0.01 0.00 -1.00 0.00 0.00 55.97 54.77 1du3 s LYS 224 Cb -0.03 0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.81 1du3 s LYS 224 CO -0.02 -0.03 -0.06 0.45 0.10 0.00 0.00 175.35 175.80 1du3 s SER 225 N -0.44 0.97 0.01 0.03 0.15 -0.81 -5.00 113.70 108.62 1du3 s SER 225 Ca -0.05 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1du3 s SER 225 Cb -0.03 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1du3 s SER 225 CO -0.00 -0.02 -0.02 0.00 1.20 0.00 0.00 173.24 174.40 1du3 s ALA 226 N 0.66 0.14 0.22 5.45 0.00 -1.26 -0.99 121.76 125.97 1du3 s ALA 226 Ca -0.09 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.59 1du3 s ALA 226 Cb -0.12 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1du3 s ALA 226 CO 0.00 -0.05 -0.02 1.03 0.00 0.00 0.00 175.76 176.72 1du3 s ARG 227 N -0.70 1.29 0.18 0.00 1.81 -0.25 -5.02 118.95 116.27 1du3 s ARG 227 Ca -0.07 -1.64 0.08 0.00 -1.72 0.00 0.00 55.73 52.39 1du3 s ARG 227 Cb -0.05 -0.64 -0.04 0.00 -0.45 0.00 0.00 34.95 33.77 1du3 s ARG 227 CO -0.00 -0.06 -0.17 0.54 -0.68 0.00 0.00 175.30 174.93 1du3 s ASN 228 N -3.29 2.63 0.72 0.23 2.20 -1.26 -1.78 114.94 114.39 1du3 s ASN 228 Ca 0.26 -0.91 -0.11 0.00 -0.94 0.00 0.00 52.86 51.16 1du3 s ASN 228 Cb 0.05 -0.15 0.02 0.00 -2.00 0.00 0.00 41.25 39.17 1du3 s ASN 228 CO 0.07 -0.08 1.09 -0.94 -2.94 0.00 0.00 177.10 174.30 1du3 s SER 229 N -2.88 5.32 0.49 3.54 1.04 -0.83 -4.97 113.70 115.41 1du3 s SER 229 Ca 0.18 1.19 -0.23 0.00 0.48 0.00 0.00 55.95 57.58 1du3 s SER 229 Cb -0.04 -2.00 -0.06 0.00 0.10 0.00 0.00 66.02 64.02 1du3 s SER 229 CO 0.07 -1.43 1.24 0.00 0.98 0.00 0.00 173.24 174.10 1du3 n TRP 231 N -0.68 0.00 -2.05 0.00 7.02 -1.26 -4.91 117.44 115.56 1du3 n TRP 231 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1du3 n TRP 231 Cb 0.47 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 29.26 1du3 n TRP 231 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1du3 s SER 232 N -2.36 6.70 0.14 -0.99 0.15 -1.26 -4.84 113.70 111.24 1du3 s SER 232 Ca 0.27 2.26 0.12 0.00 0.70 0.00 0.00 55.95 59.29 1du3 s SER 232 Cb 0.19 -2.55 0.58 0.00 -1.71 0.00 0.00 66.02 62.54 1du3 s SER 232 CO 0.47 -0.86 1.36 2.29 1.20 0.00 0.00 173.24 177.70 1du3 n LYS 233 N 6.31 0.07 0.00 5.44 2.85 -1.26 -0.47 118.16 131.10 1du3 n LYS 233 Ca 0.16 0.51 0.14 0.00 -1.05 0.00 0.00 58.31 58.07 1du3 n LYS 233 Cb 0.42 -1.70 0.57 0.00 -0.65 0.00 0.00 35.03 33.67 1du3 n LYS 233 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1du3 n ASP 234 N -1.84 0.58 -4.71 -5.58 8.00 -1.26 -4.89 116.55 106.84 1du3 n ASP 234 Ca 0.00 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1du3 n ASP 234 Cb 0.05 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1du3 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 s ALA 235 N -2.48 3.78 -0.26 2.24 0.00 0.38 -4.90 121.76 120.52 1du3 s ALA 235 Ca 0.28 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 1du3 s ALA 235 Cb 0.20 -3.66 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1du3 s ALA 235 CO 0.48 -0.89 -0.25 0.39 0.00 0.00 0.00 175.76 175.50 1du3 n GLU 236 N 4.41 0.64 -4.19 0.00 1.02 -1.26 -4.78 120.64 116.47 1du3 n GLU 236 Ca 0.15 0.19 -0.18 0.00 -0.02 0.00 0.00 57.16 57.30 1du3 n GLU 236 Cb 0.38 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 1du3 n GLU 236 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1du3 s TYR 237 N -2.52 1.46 -0.14 -0.32 -0.85 -1.26 -2.60 117.35 111.13 1du3 s TYR 237 Ca -0.36 -1.51 -0.12 0.00 -0.52 0.00 0.00 57.07 54.56 1du3 s TYR 237 Cb 0.10 -0.41 0.04 0.00 0.38 0.00 0.00 41.96 42.07 1du3 s TYR 237 CO 0.58 -1.03 0.36 0.20 -1.52 0.00 0.00 175.55 174.13 1du3 s GLY 238 N -3.32 -0.27 -0.19 5.49 0.00 0.23 -4.85 107.32 104.41 1du3 s GLY 238 Ca 0.36 1.05 -0.02 0.00 0.00 0.00 0.00 44.72 46.12 1du3 s GLY 238 CO 0.25 0.97 0.01 1.08 0.00 0.00 0.00 173.10 175.40 1du3 s LEU 239 N 0.36 1.44 -0.46 0.66 1.43 -1.26 -1.56 118.68 119.29 1du3 s LEU 239 Ca -0.01 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1du3 s LEU 239 Cb -0.03 -0.72 0.16 0.00 0.03 0.00 0.00 46.19 45.62 1du3 s LEU 239 CO -0.01 -0.27 0.32 -0.31 0.23 0.00 0.00 176.35 176.30 1du3 s TYR 240 N 1.76 1.68 0.02 0.29 1.51 0.05 -5.01 117.35 117.65 1du3 s TYR 240 Ca -0.01 -2.41 -0.30 0.00 -1.01 0.00 0.00 57.07 53.34 1du3 s TYR 240 Cb -0.17 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1du3 s TYR 240 CO -0.07 -0.77 1.23 -1.12 -1.11 0.00 0.00 175.55 173.70 1du3 s SER 241 N 0.04 7.04 -0.23 2.29 0.01 -1.26 -2.25 113.70 119.34 1du3 s SER 241 Ca 0.25 1.97 -0.02 0.00 1.31 0.00 0.00 55.95 59.47 1du3 s SER 241 Cb -0.09 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1du3 s SER 241 CO -0.11 -0.53 -0.08 -0.63 0.41 0.00 0.00 173.24 172.30 1du3 s ILE 242 N 1.55 2.83 0.08 1.44 1.01 -0.12 -4.97 121.20 123.02 1du3 s ILE 242 Ca 0.59 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1du3 s ILE 242 Cb -0.28 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1du3 s ILE 242 CO 0.27 0.29 -0.24 -0.47 0.00 0.00 0.00 174.94 174.79 1du3 s TYR 243 N 1.35 2.39 -0.15 3.97 6.14 -1.26 -1.77 117.35 128.02 1du3 s TYR 243 Ca 0.02 -0.35 -0.27 0.00 0.64 0.00 0.00 57.07 57.11 1du3 s TYR 243 Cb -0.16 -1.35 0.07 0.00 0.42 0.00 0.00 41.96 40.94 1du3 s TYR 243 CO -0.06 0.26 0.66 1.14 0.64 0.00 0.00 175.55 178.20 1du3 s GLN 244 N -1.68 0.92 0.24 4.97 -2.07 -1.17 -5.01 119.66 115.86 1du3 s GLN 244 Ca 0.14 0.57 -0.10 0.00 -1.82 0.00 0.00 55.36 54.14 1du3 s GLN 244 Cb -0.10 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.24 1du3 s GLN 244 CO 0.05 -0.21 0.40 0.20 -1.32 0.00 0.00 175.29 174.41 1du3 s GLY 245 N -0.46 0.72 0.00 2.60 0.00 -1.26 -2.01 107.32 106.92 1du3 s GLY 245 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1du3 s GLY 245 CO 0.05 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 172.97 1du3 n GLY 246 N -0.35 1.93 3.84 0.20 0.00 -0.81 -4.95 105.19 105.05 1du3 n GLY 246 Ca -0.01 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1du3 n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1du3 s ILE 247 N -2.00 5.32 0.04 -0.61 1.01 -1.26 -0.56 121.20 123.14 1du3 s ILE 247 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 1du3 s ILE 247 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1du3 s ILE 247 CO 0.00 0.57 0.11 -0.36 0.00 0.00 0.00 174.94 175.26 1du3 s PHE 248 N -0.82 0.17 -0.08 3.97 0.40 -0.64 -4.92 117.98 116.05 1du3 s PHE 248 Ca 0.18 -0.45 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 1du3 s PHE 248 Cb -0.14 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.23 1du3 s PHE 248 CO 0.07 -0.37 0.49 -2.00 0.70 0.00 0.00 175.22 174.12 1du3 s GLU 249 N -2.50 4.29 0.06 0.44 2.12 -1.26 -1.06 118.70 120.79 1du3 s GLU 249 Ca -0.06 0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.83 1du3 s GLU 249 Cb -0.02 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1du3 s GLU 249 CO -0.04 0.26 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.28 1du3 s LEU 250 N 0.27 2.24 0.24 2.70 1.43 -0.86 -5.00 118.68 119.70 1du3 s LEU 250 Ca 0.27 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1du3 s LEU 250 Cb -0.16 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1du3 s LEU 250 CO 0.12 -0.02 0.18 -1.59 0.23 0.00 0.00 176.35 175.27 1du3 s LYS 251 N -1.53 2.90 0.26 1.70 -2.85 -1.26 -2.32 119.74 116.64 1du3 s LYS 251 Ca 0.00 -1.03 -0.29 0.00 -1.00 0.00 0.00 55.97 53.64 1du3 s LYS 251 Cb -0.09 -2.56 -0.14 0.00 -2.06 0.00 0.00 37.83 32.97 1du3 s LYS 251 CO 0.02 0.41 1.09 -1.91 0.10 0.00 0.00 175.35 175.06 1du3 n GLU 252 N -1.02 1.38 -1.35 1.78 2.13 -1.26 -0.90 120.64 121.40 1du3 n GLU 252 Ca -0.08 0.49 -0.11 0.00 0.66 0.00 0.00 57.16 58.12 1du3 n GLU 252 Cb 0.57 -1.92 -0.05 0.00 0.27 0.00 0.00 31.44 30.32 1du3 n GLU 252 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1du3 n ASN 253 N 1.49 -4.30 -4.88 4.31 3.02 0.75 -4.98 115.26 110.68 1du3 n ASN 253 Ca 0.11 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.62 1du3 n ASN 253 Cb 0.30 -2.79 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1du3 n ASN 253 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1du3 s ASP 254 N -2.87 6.50 -0.04 6.41 1.11 -0.08 -4.82 116.67 122.89 1du3 s ASP 254 Ca 0.00 1.08 0.03 0.00 0.18 0.00 0.00 52.55 53.84 1du3 s ASP 254 Cb 0.00 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.69 1du3 s ASP 254 CO 0.00 -0.38 -0.13 -0.13 1.18 0.00 0.00 175.17 175.71 1du3 s ARG 255 N -3.85 1.36 -0.05 8.23 0.52 0.11 -1.37 118.95 123.91 1du3 s ARG 255 Ca 0.50 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 55.33 1du3 s ARG 255 Cb -0.10 -1.21 -0.02 0.00 0.52 0.00 0.00 34.95 34.14 1du3 s ARG 255 CO 0.32 0.15 -0.21 0.96 0.02 0.00 0.00 175.30 176.54 1du3 s ILE 256 N 0.19 2.47 0.10 1.52 -4.36 -0.07 0.84 121.20 121.90 1du3 s ILE 256 Ca -0.05 -0.93 -0.10 0.00 -0.26 0.00 0.00 60.65 59.31 1du3 s ILE 256 Cb -0.11 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1du3 s ILE 256 CO 0.01 0.58 0.24 0.72 0.24 0.00 0.00 174.94 176.73 1du3 s PHE 257 N -0.46 0.13 0.14 1.37 -0.71 -0.95 -0.56 117.98 116.94 1du3 s PHE 257 Ca 0.05 -0.54 0.06 0.00 -1.04 0.00 0.00 56.93 55.46 1du3 s PHE 257 Cb -0.12 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 1du3 s PHE 257 CO 0.01 -0.59 0.04 0.08 -1.34 0.00 0.00 175.22 173.42 1du3 s VAL 258 N -3.87 4.09 -0.05 -2.49 1.01 -1.26 -1.09 120.40 116.73 1du3 s VAL 258 Ca 0.06 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1du3 s VAL 258 Cb 0.04 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1du3 s VAL 258 CO -0.10 -0.02 0.32 -0.55 0.00 0.00 0.00 175.10 174.75 1du3 s SER 259 N -2.76 -0.24 0.13 3.32 0.15 0.25 -1.77 113.70 112.78 1du3 s SER 259 Ca 0.28 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 1du3 s SER 259 Cb -0.10 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1du3 s SER 259 CO 0.20 -0.33 0.08 0.68 1.20 0.00 0.00 173.24 175.07 1du3 s VAL 260 N -0.80 0.10 0.44 4.45 -7.23 0.33 0.43 120.40 118.12 1du3 s VAL 260 Ca -0.09 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.33 1du3 s VAL 260 Cb -0.04 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.93 1du3 s VAL 260 CO 0.03 -0.48 0.56 0.42 -0.31 0.00 0.00 175.10 175.32 1du3 s THR 261 N -4.03 2.81 -1.61 5.32 -4.23 -0.95 -0.41 115.64 112.53 1du3 s THR 261 Ca 0.22 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 1du3 s THR 261 Cb 0.07 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1du3 s THR 261 CO 0.01 0.00 0.35 0.59 -0.54 0.00 0.00 174.62 175.03 1du3 n ASN 262 N -1.84 -0.61 0.33 3.99 3.02 -1.26 -4.61 115.26 114.28 1du3 n ASN 262 Ca 0.08 -1.17 0.20 0.00 -0.03 0.00 0.00 54.58 53.66 1du3 n ASN 262 Cb 0.60 -2.12 1.05 0.00 -0.61 0.00 0.00 39.78 38.69 1du3 n ASN 262 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1du3 h GLU 263 N -1.56 0.00 0.00 3.52 4.11 -1.94 0.16 114.58 118.87 1du3 h GLU 263 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.80 1du3 h GLU 263 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1du3 h GLU 263 CO 0.74 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 177.43 1du3 n HIS 264 N -3.04 0.00 0.33 2.06 1.44 -1.26 -2.24 115.22 112.51 1du3 n HIS 264 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.72 1du3 n HIS 264 Cb 0.20 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.30 1du3 n HIS 264 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1du3 n LEU 265 N -0.76 0.90 -4.74 2.39 4.77 0.05 -5.01 117.00 114.60 1du3 n LEU 265 Ca 0.11 -0.71 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 1du3 n LEU 265 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1du3 n LEU 265 CO 0.08 0.19 0.85 -0.63 -1.33 0.00 0.00 177.39 176.55 1du3 s ILE 266 N -1.23 3.65 -0.38 -0.08 -1.09 -0.95 -1.29 121.20 119.82 1du3 s ILE 266 Ca 0.05 1.41 -0.14 0.00 -2.23 0.00 0.00 60.65 59.75 1du3 s ILE 266 Cb 0.06 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1du3 s ILE 266 CO 0.21 0.24 0.27 -0.62 -1.23 0.00 0.00 174.94 173.80 1du3 s ASP 267 N 0.00 6.03 -0.29 3.58 -1.08 -0.23 -4.91 116.67 119.78 1du3 s ASP 267 Ca 0.51 -0.74 0.07 0.00 -0.52 0.00 0.00 52.55 51.87 1du3 s ASP 267 Cb -0.32 -2.13 0.59 0.00 -1.46 0.00 0.00 42.92 39.60 1du3 s ASP 267 CO 0.37 -0.36 1.64 0.23 0.52 0.00 0.00 175.17 177.56 1du3 n MET 268 N 5.12 2.93 -2.15 4.34 2.81 -1.26 -4.23 117.12 124.69 1du3 n MET 268 Ca -0.12 -2.48 -0.38 0.00 -1.81 0.00 0.00 57.70 52.92 1du3 n MET 268 Cb 0.48 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1du3 n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1du3 s ASP 269 N -0.75 6.03 0.24 7.83 1.01 -1.26 -2.75 116.67 127.02 1du3 s ASP 269 Ca 0.45 2.43 0.17 0.00 0.71 0.00 0.00 52.55 56.31 1du3 s ASP 269 Cb 0.36 -2.61 0.90 0.00 1.01 0.00 0.00 42.92 42.59 1du3 s ASP 269 CO 0.11 -1.02 1.52 0.00 0.21 0.00 0.00 175.17 175.99 1du3 n HIS 270 N -0.49 0.57 0.78 4.23 1.44 -1.17 -1.74 115.22 118.84 1du3 n HIS 270 Ca 0.07 0.29 0.09 0.00 -2.01 0.00 0.00 57.72 56.16 1du3 n HIS 270 Cb 0.47 -0.97 -0.10 0.00 0.12 0.00 0.00 29.99 29.51 1du3 n HIS 270 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1du3 n GLU 271 N -2.08 1.04 -0.00 -1.40 4.71 -1.26 -4.45 120.64 117.20 1du3 n GLU 271 Ca -0.01 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.16 56.98 1du3 n GLU 271 Cb 0.05 -1.35 -0.14 0.00 -1.01 0.00 0.00 31.44 28.98 1du3 n GLU 271 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1du3 h ALA 272 N 2.47 0.58 -3.47 0.62 0.00 -1.65 -3.47 119.26 114.34 1du3 h ALA 272 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 54.91 53.16 1du3 h ALA 272 Cb 0.46 0.56 -0.35 0.00 0.00 0.00 0.00 17.79 18.46 1du3 h ALA 272 CO 0.00 1.43 -0.75 -1.12 0.00 0.00 0.00 179.25 178.81 1du3 s SER 273 N -6.58 0.56 0.17 0.00 0.01 -1.14 -3.79 113.70 102.91 1du3 s SER 273 Ca -0.12 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1du3 s SER 273 Cb 0.07 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 66.06 1du3 s SER 273 CO 0.80 -0.11 0.21 2.22 0.41 0.00 0.00 173.24 176.77 1du3 n PHE 274 N 4.26 -0.78 -3.64 2.43 1.16 -0.31 -1.15 117.46 119.43 1du3 n PHE 274 Ca -0.24 -1.18 -0.08 0.00 -1.87 0.00 0.00 57.45 54.08 1du3 n PHE 274 Cb 0.50 0.23 -0.07 0.00 -1.61 0.00 0.00 39.48 38.54 1du3 n PHE 274 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1du3 s PHE 275 N -3.66 -0.93 0.29 2.97 5.36 0.93 -2.67 117.98 120.27 1du3 s PHE 275 Ca 0.15 1.95 -0.14 0.00 -0.96 0.00 0.00 56.93 57.94 1du3 s PHE 275 Cb -0.00 0.51 0.05 0.00 -0.34 0.00 0.00 43.02 43.24 1du3 s PHE 275 CO 0.11 -0.46 0.71 0.41 -1.46 0.00 0.00 175.22 174.53 1du3 n GLY 276 N 3.79 1.04 3.54 13.12 0.00 -0.73 -0.70 105.19 125.26 1du3 n GLY 276 Ca -0.18 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1du3 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du3 s ALA 277 N -1.89 -1.90 0.06 4.61 0.00 -0.47 -1.60 121.76 120.58 1du3 s ALA 277 Ca 0.15 1.33 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 1du3 s ALA 277 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1du3 s ALA 277 CO 0.09 -0.51 0.20 -0.59 0.00 0.00 0.00 175.76 174.95 1du3 s PHE 278 N -2.15 0.08 0.91 0.00 -0.12 0.37 -1.27 117.98 115.79 1du3 s PHE 278 Ca 0.02 -0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 1du3 s PHE 278 Cb -0.01 -0.03 0.13 0.00 -0.63 0.00 0.00 43.02 42.49 1du3 s PHE 278 CO -0.04 -0.49 1.10 -1.17 -0.05 0.00 0.00 175.22 174.57 1du3 s LEU 279 N -2.45 2.10 0.00 -1.99 2.96 -0.91 -0.18 118.68 118.21 1du3 s LEU 279 Ca -0.00 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1du3 s LEU 279 Cb 0.02 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1du3 s LEU 279 CO -0.07 -2.61 0.21 1.33 -1.32 0.00 0.00 176.35 173.89 1du3 n VAL 280 N -3.84 0.00 0.00 1.68 0.24 -0.84 -4.69 118.33 110.88 1du3 n VAL 280 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1du3 n VAL 280 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1du3 n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30