#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ml9 n GLU 145 N 0.00 0.00 -0.13 1.43 0.00 -1.26 -4.56 120.64 116.12 3ml9 n GLU 145 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 3ml9 n GLU 145 Cb 0.00 -0.21 0.44 0.00 0.00 0.00 0.00 31.44 31.68 3ml9 n GLU 145 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3ml9 h GLU 146 N 0.00 0.52 -1.50 5.31 4.22 -2.06 1.65 114.58 122.72 3ml9 h GLU 146 Ca 0.00 -0.03 -0.48 0.00 0.08 0.00 0.00 59.36 58.93 3ml9 h GLU 146 Cb 0.16 -0.12 -0.19 0.00 0.50 0.00 0.00 28.75 29.10 3ml9 h GLU 146 CO 0.00 0.35 0.58 -1.13 -2.18 0.00 0.00 179.01 176.62 3ml9 n SER 147 N -4.48 6.87 0.00 1.04 3.41 -1.26 -3.79 113.62 115.41 3ml9 n SER 147 Ca 0.10 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 3ml9 n SER 147 Cb 0.33 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3ml9 n SER 147 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ml9 n GLN 148 N 0.05 1.00 0.14 4.33 7.27 0.50 -4.77 117.38 125.91 3ml9 n GLN 148 Ca 0.44 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.60 3ml9 n GLN 148 Cb 0.57 -0.08 0.06 0.00 2.41 0.00 0.00 30.24 33.20 3ml9 n GLN 148 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ml9 h ALA 149 N 0.00 0.72 -0.54 1.69 0.00 0.18 -3.34 119.26 117.97 3ml9 h ALA 149 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ml9 h ALA 149 Cb 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 3ml9 h ALA 149 CO 0.00 0.16 -0.25 0.35 0.00 0.00 0.00 179.25 179.51 3ml9 h PHE 150 N 0.00 -0.65 -0.14 0.00 3.57 -1.78 -0.35 116.94 117.59 3ml9 h PHE 150 Ca -0.02 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3ml9 h PHE 150 Cb 1.10 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 3ml9 h PHE 150 CO 0.00 -0.33 0.18 0.37 -2.23 0.00 0.00 178.31 176.30 3ml9 h GLN 151 N -0.12 0.00 0.00 1.11 5.75 -1.90 0.74 115.11 120.68 3ml9 h GLN 151 Ca 0.24 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.69 3ml9 h GLN 151 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3ml9 h GLN 151 CO -0.61 0.00 -0.25 0.00 -2.65 0.00 0.00 178.83 175.31 3ml9 h ARG 152 N 0.00 0.00 0.17 1.69 3.08 -1.27 0.33 114.38 118.38 3ml9 h ARG 152 Ca 0.07 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 3ml9 h ARG 152 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.50 3ml9 h ARG 152 CO -0.00 0.25 -1.18 0.37 -1.07 0.00 0.00 179.97 178.35 3ml9 h GLN 153 N 0.00 0.35 -0.23 0.04 4.15 0.52 -3.00 115.11 116.94 3ml9 h GLN 153 Ca -0.00 -0.60 0.02 0.00 0.77 0.00 0.00 58.65 58.84 3ml9 h GLN 153 Cb 0.86 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 3ml9 h GLN 153 CO 0.03 1.29 0.08 -0.07 -1.93 0.00 0.00 178.83 178.23 3ml9 h LEU 154 N -0.20 0.09 -1.01 -2.39 3.38 -1.22 0.35 115.31 114.30 3ml9 h LEU 154 Ca -0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ml9 h LEU 154 Cb 1.83 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3ml9 h LEU 154 CO 0.16 0.08 0.00 0.41 0.09 0.00 0.00 178.44 179.19 3ml9 n THR 155 N -5.04 1.31 -0.05 0.22 -1.04 0.10 -0.19 114.28 109.60 3ml9 n THR 155 Ca -0.02 0.67 -0.20 0.00 -2.04 0.00 0.00 64.05 62.46 3ml9 n THR 155 Cb 0.08 -1.67 -0.13 0.00 -1.82 0.00 0.00 70.33 66.80 3ml9 n THR 155 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ml9 h ALA 156 N 1.99 0.20 -0.33 2.41 0.00 -0.32 -3.09 119.26 120.12 3ml9 h ALA 156 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 54.91 53.69 3ml9 h ALA 156 Cb 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ml9 h ALA 156 CO 0.00 0.68 -0.38 -0.07 0.00 0.00 0.00 179.25 179.48 3ml9 h LEU 157 N -0.66 0.83 -0.07 0.00 3.38 0.11 -3.28 115.31 115.61 3ml9 h LEU 157 Ca -0.28 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 3ml9 h LEU 157 Cb 1.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ml9 h LEU 157 CO -0.06 1.12 -0.12 0.40 0.09 0.00 0.00 178.44 179.87 3ml9 h ILE 158 N 0.64 1.40 0.00 1.22 2.04 -0.75 -3.48 117.51 118.58 3ml9 h ILE 158 Ca 0.06 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3ml9 h ILE 158 Cb 0.94 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3ml9 h ILE 158 CO 0.09 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.24 3ml9 n GLY 159 N 0.38 0.85 3.41 5.37 0.00 -1.17 -4.82 105.19 109.22 3ml9 n GLY 159 Ca -0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3ml9 n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ml9 s TYR 160 N -2.00 -0.51 -0.77 1.61 5.04 -1.26 -4.90 117.35 114.57 3ml9 s TYR 160 Ca 0.00 1.05 -0.22 0.00 -2.44 0.00 0.00 57.07 55.46 3ml9 s TYR 160 Cb 0.00 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.63 3ml9 s TYR 160 CO 0.00 -0.41 1.08 0.34 -1.34 0.00 0.00 175.55 175.22 3ml9 s ASP 161 N -0.57 6.31 0.43 4.32 2.15 -1.26 -4.72 116.67 123.33 3ml9 s ASP 161 Ca -0.07 -1.24 0.30 0.00 0.43 0.00 0.00 52.55 51.97 3ml9 s ASP 161 Cb -0.03 -2.44 1.31 0.00 -0.30 0.00 0.00 42.92 41.45 3ml9 s ASP 161 CO 0.04 -1.40 1.89 -0.37 -0.17 0.00 0.00 175.17 175.17 3ml9 h VAL 162 N 6.02 0.00 0.00 1.11 -1.51 -1.96 -2.28 116.25 117.63 3ml9 h VAL 162 Ca -0.13 -0.31 -0.07 0.00 -1.23 0.00 0.00 66.70 64.95 3ml9 h VAL 162 Cb 1.05 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3ml9 h VAL 162 CO 1.20 0.00 -0.67 0.71 -1.23 0.00 0.00 177.57 177.58 3ml9 h THR 163 N 0.00 0.38 -1.86 7.19 1.35 -1.99 -3.47 112.91 114.51 3ml9 h THR 163 Ca 0.00 -1.60 -0.50 0.00 -0.55 0.00 0.00 66.41 63.76 3ml9 h THR 163 Cb 0.37 2.04 0.24 0.00 -1.73 0.00 0.00 68.15 69.07 3ml9 h THR 163 CO 0.00 0.22 -1.88 -0.67 -0.25 0.00 0.00 175.52 172.94 3ml9 n ASP 164 N -3.01 -3.57 0.00 5.36 2.03 -0.86 -4.97 116.55 111.53 3ml9 n ASP 164 Ca -0.00 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3ml9 n ASP 164 Cb 0.66 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 3ml9 n ASP 164 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3ml9 n VAL 165 N -3.44 0.00 0.16 5.18 0.31 -1.26 -4.91 118.33 114.37 3ml9 n VAL 165 Ca -0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3ml9 n VAL 165 Cb 0.65 1.20 0.58 0.00 -0.91 0.00 0.00 33.84 35.36 3ml9 n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ml9 n SER 166 N 0.00 0.55 -2.61 4.52 3.41 -1.26 -2.95 113.62 115.28 3ml9 n SER 166 Ca 0.00 0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 59.23 3ml9 n SER 166 Cb 0.25 -0.83 0.02 0.00 -0.26 0.00 0.00 64.21 63.39 3ml9 n SER 166 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ml9 n ASN 167 N -2.25 2.37 -4.20 4.04 5.15 -1.26 -5.07 115.26 114.05 3ml9 n ASN 167 Ca -0.01 -2.99 -0.13 0.00 -0.60 0.00 0.00 54.58 50.84 3ml9 n ASN 167 Cb 0.03 -0.51 -0.10 0.00 -0.53 0.00 0.00 39.78 38.67 3ml9 n ASN 167 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ml9 s VAL 168 N -3.81 0.95 -0.08 3.44 0.11 -1.15 -4.72 120.40 115.14 3ml9 s VAL 168 Ca 0.33 -1.84 0.12 0.00 -2.93 0.00 0.00 61.98 57.65 3ml9 s VAL 168 Cb 0.44 -1.59 0.18 0.00 -1.53 0.00 0.00 36.38 33.88 3ml9 s VAL 168 CO -0.02 -0.69 1.07 0.00 -3.33 0.00 0.00 175.10 172.12 3ml9 n HIS 169 N 0.18 0.00 -3.39 1.54 1.44 -1.26 -5.05 115.22 108.68 3ml9 n HIS 169 Ca -0.13 -0.69 -0.01 0.00 -2.01 0.00 0.00 57.72 54.88 3ml9 n HIS 169 Cb 0.59 -0.11 0.01 0.00 0.12 0.00 0.00 29.99 30.60 3ml9 n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3ml9 n ASP 170 N -0.95 -0.48 -1.83 4.39 5.68 -1.26 -5.04 116.55 117.05 3ml9 n ASP 170 Ca 0.10 -1.29 -0.20 0.00 -0.50 0.00 0.00 54.79 52.90 3ml9 n ASP 170 Cb 0.58 0.79 0.13 0.00 -1.14 0.00 0.00 41.12 41.49 3ml9 n ASP 170 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ml9 n ASP 171 N -0.91 4.46 -0.07 -1.12 3.85 -1.26 -4.73 116.55 116.77 3ml9 n ASP 171 Ca -0.01 -3.75 -0.15 0.00 -0.71 0.00 0.00 54.79 50.17 3ml9 n ASP 171 Cb 0.14 -0.71 -0.05 0.00 -1.35 0.00 0.00 41.12 39.14 3ml9 n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3ml9 h GLU 172 N 1.46 0.72 -0.26 0.11 4.81 -1.97 0.94 114.58 120.38 3ml9 h GLU 172 Ca 0.43 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3ml9 h GLU 172 Cb 1.68 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 3ml9 h GLU 172 CO 0.91 1.08 0.09 -0.07 -0.73 0.00 0.00 179.01 180.29 3ml9 h LEU 173 N 0.44 0.37 -0.47 1.64 3.38 -1.99 0.19 115.31 118.88 3ml9 h LEU 173 Ca 0.01 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ml9 h LEU 173 Cb 1.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3ml9 h LEU 173 CO 0.10 0.46 0.26 -0.33 0.09 0.00 0.00 178.44 179.02 3ml9 h GLU 174 N 0.26 0.51 -0.41 1.13 3.07 -1.89 0.26 114.58 117.51 3ml9 h GLU 174 Ca 0.08 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3ml9 h GLU 174 Cb 0.22 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3ml9 h GLU 174 CO -0.00 0.34 0.21 0.35 -1.40 0.00 0.00 179.01 178.50 3ml9 h PHE 175 N 0.53 0.55 0.09 4.33 3.57 -0.56 -1.18 116.94 124.26 3ml9 h PHE 175 Ca 0.19 -0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.40 3ml9 h PHE 175 Cb 0.04 -0.18 0.03 0.00 2.79 0.00 0.00 35.95 38.63 3ml9 h PHE 175 CO -0.08 0.40 -1.19 1.15 -2.23 0.00 0.00 178.31 176.36 3ml9 h THR 176 N 0.57 1.29 0.04 4.41 2.02 0.82 0.82 112.91 122.88 3ml9 h THR 176 Ca 0.15 -2.42 0.03 0.00 0.77 0.00 0.00 66.41 64.93 3ml9 h THR 176 Cb 0.04 2.62 -0.05 0.00 -1.74 0.00 0.00 68.15 69.02 3ml9 h THR 176 CO -0.02 0.74 -0.31 0.03 0.37 0.00 0.00 175.52 176.33 3ml9 h ARG 177 N 0.30 -0.46 -0.94 6.66 3.08 -0.28 0.94 114.38 123.68 3ml9 h ARG 177 Ca -0.17 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.02 3ml9 h ARG 177 Cb 1.86 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.94 3ml9 h ARG 177 CO 0.23 -0.31 0.57 0.00 -1.07 0.00 0.00 179.97 179.39 3ml9 h ARG 178 N -0.48 0.90 -0.43 0.04 3.08 -1.21 -1.21 114.38 115.06 3ml9 h ARG 178 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ml9 h ARG 178 Cb 0.55 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3ml9 h ARG 178 CO -0.23 0.60 0.28 0.78 -1.07 0.00 0.00 179.97 180.32 3ml9 h GLY 179 N 0.93 0.61 1.79 0.04 0.00 0.48 -2.81 103.07 104.10 3ml9 h GLY 179 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3ml9 h GLY 179 CO -0.26 0.23 -0.17 1.41 0.00 0.00 0.00 176.54 177.75 3ml9 h LEU 180 N 0.58 0.00 -0.99 3.11 3.38 0.39 -3.31 115.31 118.48 3ml9 h LEU 180 Ca 0.16 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3ml9 h LEU 180 Cb -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 3ml9 h LEU 180 CO -0.03 0.02 0.61 0.58 0.09 0.00 0.00 178.44 179.71 3ml9 h VAL 181 N 0.00 0.81 -0.05 1.22 2.07 -1.35 -2.29 116.25 116.65 3ml9 h VAL 181 Ca 0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3ml9 h VAL 181 Cb 0.80 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3ml9 h VAL 181 CO 0.00 0.16 -0.08 0.74 0.02 0.00 0.00 177.57 178.41 3ml9 h THR 182 N 0.86 1.41 0.00 2.57 2.02 -1.77 -2.48 112.91 115.52 3ml9 h THR 182 Ca 0.53 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3ml9 h THR 182 Cb 0.69 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 3ml9 h THR 182 CO -0.33 0.37 -0.31 1.55 0.37 0.00 0.00 175.52 177.17 3ml9 h PRO 183 N -0.34 0.00 0.15 6.66 0.13 -1.73 -0.16 132.00 136.71 3ml9 h PRO 183 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3ml9 h PRO 183 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3ml9 h PRO 183 CO 0.02 0.31 -0.07 -0.09 -0.23 0.00 0.00 178.00 177.94 3ml9 h ARG 184 N 0.00 -0.19 -0.05 0.86 2.43 -1.39 -2.82 114.38 113.22 3ml9 h ARG 184 Ca -0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3ml9 h ARG 184 Cb 0.55 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3ml9 h ARG 184 CO 0.04 0.09 -0.57 0.52 -1.51 0.00 0.00 179.97 178.54 3ml9 h MET 185 N -0.47 0.15 -0.77 0.20 2.86 -1.37 -0.03 114.93 115.49 3ml9 h MET 185 Ca -0.02 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3ml9 h MET 185 Cb 0.37 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.99 3ml9 h MET 185 CO 0.03 0.68 0.47 0.00 1.06 0.00 0.00 176.91 179.15 3ml9 h ALA 186 N 1.30 1.05 0.09 6.32 0.00 -1.05 -1.41 119.26 125.57 3ml9 h ALA 186 Ca -0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3ml9 h ALA 186 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ml9 h ALA 186 CO 0.08 0.20 -1.51 1.49 0.00 0.00 0.00 179.25 179.51 3ml9 h GLU 187 N 0.87 0.20 -0.72 0.00 4.57 -1.17 -2.07 114.58 116.26 3ml9 h GLU 187 Ca 0.34 -0.34 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 3ml9 h GLU 187 Cb 0.15 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3ml9 h GLU 187 CO -0.17 1.04 0.20 0.28 -1.18 0.00 0.00 179.01 179.19 3ml9 h VAL 188 N 0.05 1.26 -0.03 0.32 2.07 -0.96 -1.32 116.25 117.65 3ml9 h VAL 188 Ca -0.23 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 3ml9 h VAL 188 Cb 1.99 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3ml9 h VAL 188 CO 0.15 0.36 -0.54 0.00 0.02 0.00 0.00 177.57 177.56 3ml9 h ALA 189 N 1.14 1.04 0.00 1.67 0.00 -1.32 -3.29 119.26 118.50 3ml9 h ALA 189 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ml9 h ALA 189 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ml9 h ALA 189 CO -0.00 0.68 -0.48 0.45 0.00 0.00 0.00 179.25 179.90 3ml9 n SER 190 N -3.90 0.49 -4.79 0.00 2.88 -0.78 -4.89 113.62 102.63 3ml9 n SER 190 Ca -0.02 -0.09 -0.39 0.00 -1.33 0.00 0.00 58.87 57.04 3ml9 n SER 190 Cb 0.56 0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 64.12 3ml9 n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ml9 s ARG 191 N -3.04 4.38 0.01 -1.46 1.70 -0.56 -5.03 118.95 114.96 3ml9 s ARG 191 Ca 0.10 0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 56.00 3ml9 s ARG 191 Cb 0.17 -3.26 -0.06 0.00 -0.57 0.00 0.00 34.95 31.23 3ml9 s ARG 191 CO 0.69 0.58 1.50 0.34 -1.08 0.00 0.00 175.30 177.34 3ml9 s ASP 192 N -1.05 6.75 0.23 -2.89 -1.08 -1.26 -4.93 116.67 112.45 3ml9 s ASP 192 Ca 0.32 2.23 -0.08 0.00 -0.52 0.00 0.00 52.55 54.51 3ml9 s ASP 192 Cb -0.21 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 38.91 3ml9 s ASP 192 CO 0.22 -0.80 1.90 -0.65 0.52 0.00 0.00 175.17 176.37 3ml9 h PRO 193 N 8.19 1.20 0.00 4.34 0.11 -1.96 -1.84 132.00 142.04 3ml9 h PRO 193 Ca -0.39 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ml9 h PRO 193 Cb 1.18 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ml9 h PRO 193 CO 0.92 0.81 0.00 1.63 -0.21 0.00 0.00 178.00 181.15 3ml9 n LYS 194 N -4.44 0.00 -0.34 1.05 5.02 -1.26 -1.60 118.16 116.60 3ml9 n LYS 194 Ca 0.10 0.50 0.34 0.00 -2.02 0.00 0.00 58.31 57.23 3ml9 n LYS 194 Cb 0.02 -1.43 0.71 0.00 -0.02 0.00 0.00 35.03 34.32 3ml9 n LYS 194 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ml9 h LEU 195 N 0.00 0.07 -0.10 -0.35 3.38 -1.96 0.17 115.31 116.52 3ml9 h LEU 195 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3ml9 h LEU 195 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ml9 h LEU 195 CO 0.00 0.01 -0.20 0.22 0.09 0.00 0.00 178.44 178.55 3ml9 h TYR 196 N 0.06 0.41 0.00 1.13 3.20 -1.25 0.30 116.97 120.83 3ml9 h TYR 196 Ca 0.59 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 62.28 3ml9 h TYR 196 Cb 2.21 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.40 3ml9 h TYR 196 CO -0.00 0.81 -0.17 0.00 -1.64 0.00 0.00 178.16 177.16 3ml9 h ALA 197 N 0.52 1.19 -0.08 1.82 0.00 0.32 -3.09 119.26 119.94 3ml9 h ALA 197 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ml9 h ALA 197 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ml9 h ALA 197 CO 0.05 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 178.18 3ml9 n MET 198 N -3.56 0.92 -3.57 0.00 2.81 -0.82 -4.93 117.12 107.96 3ml9 n MET 198 Ca -0.01 -1.22 -0.16 0.00 -1.81 0.00 0.00 57.70 54.49 3ml9 n MET 198 Cb 0.31 -1.15 -0.02 0.00 -0.71 0.00 0.00 33.22 31.65 3ml9 n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3ml9 n HIS 199 N 0.33 -0.54 -1.50 2.03 1.44 0.11 -4.39 115.22 112.69 3ml9 n HIS 199 Ca 0.05 0.13 -0.39 0.00 -2.01 0.00 0.00 57.72 55.51 3ml9 n HIS 199 Cb 0.24 -1.15 0.03 0.00 0.12 0.00 0.00 29.99 29.23 3ml9 n HIS 199 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3ml9 n PRO 200 N -2.58 0.65 -3.70 -1.40 -0.04 -1.26 -4.83 135.00 121.85 3ml9 n PRO 200 Ca -0.09 0.25 -0.38 0.00 -0.04 0.00 0.00 63.50 63.23 3ml9 n PRO 200 Cb 0.26 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 3ml9 n PRO 200 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3ml9 s TRP 201 N -1.61 3.38 0.29 0.54 -0.00 -1.26 -5.06 118.94 115.22 3ml9 s TRP 201 Ca 0.68 -1.77 0.04 0.00 -0.00 0.00 0.00 56.10 55.05 3ml9 s TRP 201 Cb -0.48 -2.84 -0.06 0.00 -0.00 0.00 0.00 33.47 30.09 3ml9 s TRP 201 CO 0.54 -0.86 0.04 0.08 -0.00 0.00 0.00 176.95 176.75 3ml9 s VAL 202 N 1.33 1.12 -0.27 5.86 1.01 -1.26 -2.00 120.40 126.19 3ml9 s VAL 202 Ca 0.03 -2.02 -0.21 0.00 0.00 0.00 0.00 61.98 59.78 3ml9 s VAL 202 Cb -0.22 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.58 3ml9 s VAL 202 CO 0.00 -0.09 0.72 0.28 0.00 0.00 0.00 175.10 176.01 3ml9 s THR 203 N -3.35 0.00 -0.71 3.92 -1.32 -0.65 -4.45 115.64 109.09 3ml9 s THR 203 Ca 0.34 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.04 3ml9 s THR 203 Cb 0.08 -1.00 -0.26 0.00 -1.51 0.00 0.00 72.50 69.80 3ml9 s THR 203 CO 0.14 0.00 0.77 -1.20 -2.21 0.00 0.00 174.62 172.12 3ml9 n SER 204 N 3.38 0.71 -4.66 8.08 7.64 -1.26 -4.72 113.62 122.78 3ml9 n SER 204 Ca -0.17 -0.70 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 3ml9 n SER 204 Cb 0.57 1.29 0.05 0.00 -1.01 0.00 0.00 64.21 65.11 3ml9 n SER 204 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ml9 n LYS 205 N -1.72 1.20 -1.82 1.43 5.02 -1.26 -4.91 118.16 116.10 3ml9 n LYS 205 Ca 0.02 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.38 3ml9 n LYS 205 Cb 0.40 -2.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.15 3ml9 n LYS 205 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ml9 s PRO 206 N -2.77 2.96 0.16 1.97 0.04 -1.26 -4.92 135.00 131.19 3ml9 s PRO 206 Ca 0.74 2.11 -0.32 0.00 0.04 0.00 0.00 61.00 63.57 3ml9 s PRO 206 Cb -0.43 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 3ml9 s PRO 206 CO 0.48 -1.29 1.65 -1.17 0.04 0.00 0.00 177.00 176.71 3ml9 s LEU 207 N -3.83 4.37 0.91 -3.56 1.98 -1.26 -4.95 118.68 112.33 3ml9 s LEU 207 Ca 0.75 2.69 -0.11 0.00 -2.89 0.00 0.00 54.13 54.57 3ml9 s LEU 207 Cb -0.38 -3.59 0.14 0.00 0.66 0.00 0.00 46.19 43.02 3ml9 s LEU 207 CO 0.43 -0.89 1.09 -2.16 -1.89 0.00 0.00 176.35 172.93 3ml9 s PRO 208 N 1.47 1.17 0.07 0.98 0.04 -1.26 -4.89 135.00 132.58 3ml9 s PRO 208 Ca 0.73 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 3ml9 s PRO 208 Cb -0.45 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 3ml9 s PRO 208 CO 0.32 -2.33 1.62 0.93 0.04 0.00 0.00 177.00 177.58 3ml9 h GLU 209 N -1.62 0.04 0.00 4.56 5.08 -1.91 -2.70 114.58 118.03 3ml9 h GLU 209 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3ml9 h GLU 209 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3ml9 h GLU 209 CO 0.53 0.16 0.00 2.48 -1.00 0.00 0.00 179.01 181.17 3ml9 n TYR 210 N -5.00 0.00 0.00 4.33 0.18 -1.26 -1.48 117.16 113.93 3ml9 n TYR 210 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 3ml9 n TYR 210 Cb 0.09 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 3ml9 n TYR 210 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3ml9 n LEU 211 N -0.66 0.00 -0.20 -3.48 4.77 -1.03 -4.31 117.00 112.09 3ml9 n LEU 211 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3ml9 n LEU 211 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3ml9 n LEU 211 CO 0.00 0.00 0.86 -0.50 -1.33 0.00 0.00 177.39 176.42 3ml9 h TRP 212 N 0.00 1.03 0.00 -1.77 4.06 -1.18 -2.84 115.95 115.25 3ml9 h TRP 212 Ca 0.00 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 3ml9 h TRP 212 Cb 0.07 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 27.95 3ml9 h TRP 212 CO 0.00 0.91 -0.06 1.57 -3.56 0.00 0.00 178.44 177.30 3ml9 h LYS 213 N 0.85 0.00 -0.01 0.49 2.10 -1.75 0.11 116.57 118.36 3ml9 h LYS 213 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3ml9 h LYS 213 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3ml9 h LYS 213 CO 0.02 0.06 -0.05 1.63 -2.00 0.00 0.00 179.45 179.11 3ml9 n LYS 214 N -3.32 1.16 -3.46 0.07 5.02 -1.08 -4.72 118.16 111.83 3ml9 n LYS 214 Ca -0.01 -0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 3ml9 n LYS 214 Cb 0.23 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 3ml9 n LYS 214 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ml9 s ILE 215 N -2.16 5.24 0.00 -0.18 1.01 0.38 -5.02 121.20 120.46 3ml9 s ILE 215 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3ml9 s ILE 215 Cb 0.21 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3ml9 s ILE 215 CO 0.39 -0.18 0.36 0.00 0.00 0.00 0.00 174.94 175.52 3ml9 n ALA 216 N 5.23 0.00 -3.35 9.38 0.00 -1.26 -4.34 120.51 126.17 3ml9 n ALA 216 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3ml9 n ALA 216 Cb 0.48 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 3ml9 n ALA 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ml9 s ASN 217 N -2.39 0.93 -1.46 0.00 4.22 -1.26 -4.92 114.94 110.07 3ml9 s ASN 217 Ca 0.00 -0.88 -0.11 0.00 -2.14 0.00 0.00 52.86 49.73 3ml9 s ASN 217 Cb 0.00 0.80 0.07 0.00 1.28 0.00 0.00 41.25 43.39 3ml9 s ASN 217 CO 0.00 -0.33 0.77 -3.20 -2.04 0.00 0.00 177.10 172.30 3ml9 n ASN 218 N 4.96 -4.79 -3.47 3.54 2.85 -1.26 -4.92 115.26 112.18 3ml9 n ASN 218 Ca 0.03 -0.56 -0.17 0.00 -0.11 0.00 0.00 54.58 53.77 3ml9 n ASN 218 Cb 0.47 -3.86 -0.12 0.00 1.24 0.00 0.00 39.78 37.51 3ml9 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ml9 s ILE 220 N 2.35 3.45 -0.20 0.00 1.01 0.13 -4.04 121.20 123.90 3ml9 s ILE 220 Ca 0.08 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 3ml9 s ILE 220 Cb -0.15 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3ml9 s ILE 220 CO -0.16 0.57 0.08 -0.36 0.00 0.00 0.00 174.94 175.07 3ml9 s PHE 221 N -0.39 3.26 -0.00 3.97 0.40 -1.26 -0.70 117.98 123.26 3ml9 s PHE 221 Ca 0.05 0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 3ml9 s PHE 221 Cb -0.12 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 3ml9 s PHE 221 CO 0.02 0.10 -0.23 0.42 0.70 0.00 0.00 175.22 176.24 3ml9 s ILE 222 N 0.60 2.37 -0.39 0.64 1.01 -1.07 -4.00 121.20 120.36 3ml9 s ILE 222 Ca 0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.50 3ml9 s ILE 222 Cb -0.13 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.51 3ml9 s ILE 222 CO 0.01 0.50 0.22 -0.69 0.00 0.00 0.00 174.94 174.98 3ml9 s VAL 223 N -0.72 4.18 -0.35 2.92 1.01 0.24 -1.71 120.40 125.97 3ml9 s VAL 223 Ca 0.11 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 3ml9 s VAL 223 Cb -0.10 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3ml9 s VAL 223 CO 0.01 -0.39 0.84 -0.63 0.00 0.00 0.00 175.10 174.93 3ml9 s ILE 224 N 1.44 4.69 -0.08 2.22 1.01 0.10 -1.20 121.20 129.38 3ml9 s ILE 224 Ca 0.02 1.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 3ml9 s ILE 224 Cb -0.22 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 3ml9 s ILE 224 CO 0.03 -0.41 0.38 -1.00 0.00 0.00 0.00 174.94 173.94 3ml9 s HIS 225 N 3.20 3.59 0.00 3.97 3.76 0.25 -2.27 115.29 127.79 3ml9 s HIS 225 Ca 0.34 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 56.09 3ml9 s HIS 225 Cb -0.13 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.20 3ml9 s HIS 225 CO 0.16 0.41 0.00 -2.13 -0.85 0.00 0.00 174.74 172.33 3ml9 n ARG 226 N 2.82 0.00 0.00 1.40 3.00 -1.17 -3.74 116.66 118.98 3ml9 n ARG 226 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 3ml9 n ARG 226 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.96 3ml9 n ARG 226 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3ml9 n SER 227 N -0.30 0.00 0.00 6.15 2.88 -1.26 -4.92 113.62 116.18 3ml9 n SER 227 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ml9 n SER 227 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ml9 n SER 227 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ml9 n THR 228 N -1.05 0.00 -2.21 2.46 -2.24 -1.26 -4.91 114.28 105.06 3ml9 n THR 228 Ca 0.00 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 3ml9 n THR 228 Cb 0.00 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3ml9 n THR 228 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ml9 s THR 229 N -0.47 3.61 0.00 4.28 -4.23 -1.26 -4.98 115.64 112.59 3ml9 s THR 229 Ca 0.00 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3ml9 s THR 229 Cb 0.00 -4.38 0.00 0.00 1.34 0.00 0.00 72.50 69.46 3ml9 s THR 229 CO 0.00 -1.27 0.00 -1.20 -0.54 0.00 0.00 174.62 171.61 3ml9 n SER 230 N 12.36 -0.40 0.00 3.99 7.64 -1.26 -3.02 113.62 132.93 3ml9 n SER 230 Ca 0.39 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3ml9 n SER 230 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3ml9 n SER 230 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3ml9 n GLN 231 N -0.52 0.00 -4.24 1.43 -0.06 -0.96 -4.79 117.38 108.24 3ml9 n GLN 231 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 3ml9 n GLN 231 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 3ml9 n GLN 231 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3ml9 s THR 232 N -0.19 4.44 0.01 1.69 2.01 -1.26 0.00 115.64 122.35 3ml9 s THR 232 Ca 0.00 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3ml9 s THR 232 Cb 0.00 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 3ml9 s THR 232 CO 0.00 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 3ml9 s ILE 233 N -1.05 0.61 -0.52 1.82 1.01 -0.70 -4.99 121.20 117.38 3ml9 s ILE 233 Ca 0.18 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3ml9 s ILE 233 Cb -0.12 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.83 3ml9 s ILE 233 CO 0.08 -0.03 0.88 -0.54 0.00 0.00 0.00 174.94 175.34 3ml9 s LYS 234 N -0.70 3.34 0.03 2.79 1.02 -1.26 -2.59 119.74 122.37 3ml9 s LYS 234 Ca -0.01 -0.26 0.06 0.00 0.02 0.00 0.00 55.97 55.77 3ml9 s LYS 234 Cb -0.05 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 3ml9 s LYS 234 CO 0.00 -1.38 -0.14 0.08 -0.92 0.00 0.00 175.35 172.99 3ml9 s VAL 235 N 3.70 3.09 0.16 3.17 1.01 0.13 -4.95 120.40 126.71 3ml9 s VAL 235 Ca 0.29 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 3ml9 s VAL 235 Cb -0.13 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 3ml9 s VAL 235 CO 0.20 0.35 0.59 -0.55 0.00 0.00 0.00 175.10 175.69 3ml9 s SER 236 N -1.45 6.88 0.57 3.32 0.15 -1.26 0.20 113.70 122.11 3ml9 s SER 236 Ca 0.16 1.16 0.30 0.00 0.70 0.00 0.00 55.95 58.27 3ml9 s SER 236 Cb -0.11 -2.32 1.46 0.00 -1.71 0.00 0.00 66.02 63.34 3ml9 s SER 236 CO 0.06 0.09 1.87 -0.65 1.20 0.00 0.00 173.24 175.81 3ml9 h PRO 237 N 3.53 0.00 -0.65 5.44 0.11 -1.95 0.12 132.00 138.60 3ml9 h PRO 237 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3ml9 h PRO 237 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3ml9 h PRO 237 CO 0.66 0.00 0.04 -0.25 -0.21 0.00 0.00 178.00 178.24 3ml9 n ASP 238 N -3.90 5.22 -4.70 -2.05 8.00 -1.26 -2.24 116.55 115.62 3ml9 n ASP 238 Ca 0.13 -2.90 -0.40 0.00 0.71 0.00 0.00 54.79 52.33 3ml9 n ASP 238 Cb 0.81 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 3ml9 n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ml9 s ASP 239 N -0.73 6.96 0.72 -2.24 1.11 0.41 -4.83 116.67 118.07 3ml9 s ASP 239 Ca 0.50 1.16 -0.15 0.00 0.18 0.00 0.00 52.55 54.24 3ml9 s ASP 239 Cb 0.38 -2.42 0.04 0.00 1.07 0.00 0.00 42.92 41.99 3ml9 s ASP 239 CO 0.14 -0.17 1.20 0.28 1.18 0.00 0.00 175.17 177.80 3ml9 s THR 240 N 1.10 2.36 0.10 -1.27 -1.32 -1.26 -1.83 115.64 113.53 3ml9 s THR 240 Ca 0.37 0.18 -0.15 0.00 -1.21 0.00 0.00 61.69 60.88 3ml9 s THR 240 Cb -0.17 -2.76 -0.07 0.00 -1.51 0.00 0.00 72.50 67.99 3ml9 s THR 240 CO 0.17 -0.09 1.46 -0.65 -2.21 0.00 0.00 174.62 173.29 3ml9 h PRO 241 N -0.25 0.69 -0.81 7.08 0.11 -1.80 -3.05 132.00 133.98 3ml9 h PRO 241 Ca -0.48 -0.32 -0.02 0.00 0.11 0.00 0.00 66.00 65.29 3ml9 h PRO 241 Cb 1.29 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3ml9 h PRO 241 CO 0.50 0.93 0.42 0.78 -0.21 0.00 0.00 178.00 180.42 3ml9 h GLY 242 N 0.45 1.22 2.00 -0.55 0.00 -1.87 -1.88 103.07 102.45 3ml9 h GLY 242 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3ml9 h GLY 242 CO 0.06 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.14 3ml9 h ALA 243 N 1.32 1.00 -0.16 3.60 0.00 -1.93 0.94 119.26 124.03 3ml9 h ALA 243 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ml9 h ALA 243 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ml9 h ALA 243 CO -0.04 0.00 0.05 -0.89 0.00 0.00 0.00 179.25 178.37 3ml9 n ILE 244 N -3.06 0.93 0.00 0.00 5.41 -0.70 -2.31 119.36 119.62 3ml9 n ILE 244 Ca -0.02 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.37 3ml9 n ILE 244 Cb 0.11 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 3ml9 n ILE 244 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ml9 n LEU 245 N 0.14 0.00 0.00 1.39 4.77 0.32 -4.19 117.00 119.43 3ml9 n LEU 245 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3ml9 n LEU 245 Cb 0.57 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.40 3ml9 n LEU 245 CO 0.10 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 177.09 3ml9 n GLN 246 N -0.96 0.74 0.00 3.23 1.13 -0.96 0.20 117.38 120.76 3ml9 n GLN 246 Ca 0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3ml9 n GLN 246 Cb 0.15 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3ml9 n GLN 246 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3ml9 n SER 247 N -1.04 1.58 0.00 1.08 2.88 -0.98 -4.52 113.62 112.63 3ml9 n SER 247 Ca 0.18 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 3ml9 n SER 247 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3ml9 n SER 247 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3ml9 n PHE 248 N -0.39 0.00 1.11 0.66 7.35 -1.08 -4.61 117.46 120.51 3ml9 n PHE 248 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3ml9 n PHE 248 Cb 0.29 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.12 3ml9 n PHE 248 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3ml9 n PHE 249 N -1.04 0.00 -1.73 -5.13 0.99 0.13 -1.75 117.46 108.93 3ml9 n PHE 249 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 3ml9 n PHE 249 Cb 0.17 -0.05 0.15 0.00 -1.00 0.00 0.00 39.48 38.76 3ml9 n PHE 249 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3ml9 n THR 250 N -0.13 2.29 0.00 4.37 -1.04 -1.26 -4.99 114.28 113.51 3ml9 n THR 250 Ca 0.00 -3.52 0.00 0.00 -2.04 0.00 0.00 64.05 58.49 3ml9 n THR 250 Cb 0.12 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3ml9 n THR 250 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3ml9 n LYS 251 N -0.99 0.00 0.00 -2.82 2.85 -0.72 -5.04 118.16 111.45 3ml9 n LYS 251 Ca 0.26 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 3ml9 n LYS 251 Cb 0.78 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 3ml9 n LYS 251 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ml9 n ASP 269 N 0.00 0.00 -4.40 -5.58 10.43 -1.26 -5.07 116.55 110.67 3ml9 n ASP 269 Ca 0.00 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.11 3ml9 n ASP 269 Cb 0.00 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.85 3ml9 n ASP 269 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3ml9 s PHE 270 N -0.01 2.18 0.10 1.24 0.08 -1.26 -4.72 117.98 115.59 3ml9 s PHE 270 Ca 0.00 -0.38 0.09 0.00 0.12 0.00 0.00 56.93 56.76 3ml9 s PHE 270 Cb 0.00 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 3ml9 s PHE 270 CO 0.00 0.47 -0.24 0.54 -0.10 0.00 0.00 175.22 175.90 3ml9 s VAL 271 N -1.81 1.94 -0.36 -0.44 0.11 0.13 -4.97 120.40 114.99 3ml9 s VAL 271 Ca 0.20 -1.56 -0.20 0.00 -2.93 0.00 0.00 61.98 57.49 3ml9 s VAL 271 Cb -0.07 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 3ml9 s VAL 271 CO 0.09 0.07 0.62 -0.76 -3.33 0.00 0.00 175.10 171.79 3ml9 s LEU 272 N -1.80 4.29 0.49 2.54 1.43 -1.26 -0.20 118.68 124.17 3ml9 s LEU 272 Ca 0.10 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3ml9 s LEU 272 Cb -0.10 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.41 3ml9 s LEU 272 CO 0.04 -0.59 0.68 -0.60 0.23 0.00 0.00 176.35 176.11 3ml9 s ARG 273 N 2.67 2.59 -0.13 1.70 3.52 -1.26 -1.90 118.95 126.13 3ml9 s ARG 273 Ca 0.23 -1.29 -0.08 0.00 -0.13 0.00 0.00 55.73 54.46 3ml9 s ARG 273 Cb -0.15 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 3ml9 s ARG 273 CO 0.15 -0.55 0.15 0.08 -0.81 0.00 0.00 175.30 174.32 3ml9 s VAL 274 N -2.53 5.48 0.08 7.11 1.01 0.18 -1.72 120.40 130.00 3ml9 s VAL 274 Ca 0.58 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.48 3ml9 s VAL 274 Cb -0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 3ml9 s VAL 274 CO 0.36 0.59 1.79 0.00 0.00 0.00 0.00 175.10 177.83 3ml9 n GLY 276 N 4.20 0.88 3.16 0.00 0.00 -1.21 -4.68 105.19 107.55 3ml9 n GLY 276 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3ml9 n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ml9 s ARG 277 N -0.16 0.84 -1.18 1.61 0.52 -0.81 -4.73 118.95 115.04 3ml9 s ARG 277 Ca 0.00 -1.36 -0.05 0.00 -0.52 0.00 0.00 55.73 53.80 3ml9 s ARG 277 Cb 0.00 -0.07 0.23 0.00 0.52 0.00 0.00 34.95 35.63 3ml9 s ARG 277 CO 0.00 -0.09 1.91 -0.25 0.02 0.00 0.00 175.30 176.89 3ml9 n ASP 278 N -0.05 6.79 -3.99 0.23 8.00 0.42 -4.38 116.55 123.58 3ml9 n ASP 278 Ca -0.11 -3.34 -0.19 0.00 0.71 0.00 0.00 54.79 51.86 3ml9 n ASP 278 Cb 0.62 -1.32 -0.15 0.00 -0.02 0.00 0.00 41.12 40.25 3ml9 n ASP 278 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ml9 s GLU 279 N -1.99 0.79 -0.09 -1.24 2.56 -1.26 -4.75 118.70 112.72 3ml9 s GLU 279 Ca 0.41 -0.27 0.02 0.00 0.00 0.00 0.00 54.97 55.14 3ml9 s GLU 279 Cb 0.13 -0.76 0.01 0.00 2.00 0.00 0.00 34.13 35.52 3ml9 s GLU 279 CO -0.03 0.11 -0.14 0.71 -0.56 0.00 0.00 175.26 175.36 3ml9 s TYR 280 N 0.12 1.70 -1.24 5.30 1.51 -1.26 -0.65 117.35 122.83 3ml9 s TYR 280 Ca -0.01 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.19 3ml9 s TYR 280 Cb -0.07 -1.24 0.15 0.00 -0.11 0.00 0.00 41.96 40.69 3ml9 s TYR 280 CO 0.00 -0.37 1.56 1.28 -1.11 0.00 0.00 175.55 176.90 3ml9 n LEU 281 N 4.03 5.34 -4.65 -1.29 7.99 -0.80 -4.46 117.00 123.15 3ml9 n LEU 281 Ca -0.20 -4.37 -0.28 0.00 -0.01 0.00 0.00 56.01 51.15 3ml9 n LEU 281 Cb 0.51 -1.63 -0.10 0.00 -0.11 0.00 0.00 43.42 42.09 3ml9 n LEU 281 CO 0.24 0.69 -0.26 -0.69 -1.51 0.00 0.00 177.39 175.86 3ml9 s VAL 282 N 2.00 1.98 0.10 4.08 1.01 -1.26 -4.63 120.40 123.67 3ml9 s VAL 282 Ca 0.45 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3ml9 s VAL 282 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3ml9 s VAL 282 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3ml9 n GLY 283 N -1.04 -2.78 3.57 4.51 0.00 -1.26 -4.69 105.19 103.51 3ml9 n GLY 283 Ca -0.05 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 3ml9 n GLY 283 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml9 s GLU 284 N -3.33 2.86 -0.12 1.61 0.41 -1.26 -4.53 118.70 114.34 3ml9 s GLU 284 Ca 0.00 -1.12 -0.09 0.00 -0.41 0.00 0.00 54.97 53.35 3ml9 s GLU 284 Cb 0.00 -5.27 0.04 0.00 -1.78 0.00 0.00 34.13 27.12 3ml9 s GLU 284 CO 0.00 -3.41 0.31 0.99 -0.49 0.00 0.00 175.26 172.66 3ml9 s THR 285 N 9.14 -0.02 0.25 3.63 2.01 -1.26 -5.09 115.64 124.30 3ml9 s THR 285 Ca 0.64 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 3ml9 s THR 285 Cb -0.01 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 71.94 3ml9 s THR 285 CO 0.07 0.02 1.51 -2.16 -0.69 0.00 0.00 174.62 173.37 3ml9 s PRO 286 N 0.67 4.22 0.59 4.92 0.04 -1.26 -4.07 135.00 140.11 3ml9 s PRO 286 Ca -0.04 2.39 0.29 0.00 0.04 0.00 0.00 61.00 63.68 3ml9 s PRO 286 Cb -0.05 -3.09 1.56 0.00 0.04 0.00 0.00 34.50 32.95 3ml9 s PRO 286 CO -0.04 -0.51 1.98 -0.84 0.04 0.00 0.00 177.00 177.63 3ml9 h ILE 287 N 3.58 0.39 -0.09 0.56 -0.00 -1.42 0.84 117.51 121.38 3ml9 h ILE 287 Ca -0.46 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.43 3ml9 h ILE 287 Cb 1.22 0.71 -0.00 0.00 -0.00 0.00 0.00 36.82 38.74 3ml9 h ILE 287 CO 0.81 0.00 0.18 0.07 -0.00 0.00 0.00 178.15 179.20 3ml9 h LYS 288 N 0.00 0.00 -0.66 0.16 2.10 -1.75 -2.45 116.57 113.98 3ml9 h LYS 288 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3ml9 h LYS 288 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3ml9 h LYS 288 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3ml9 n ASN 289 N -3.39 3.83 -4.73 7.07 4.13 0.29 -4.74 115.26 117.72 3ml9 n ASN 289 Ca -0.01 -2.00 -0.38 0.00 1.68 0.00 0.00 54.58 53.88 3ml9 n ASN 289 Cb 0.27 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 38.01 3ml9 n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ml9 s PHE 290 N -1.09 3.54 0.24 3.10 0.40 -0.92 -1.64 117.98 121.62 3ml9 s PHE 290 Ca 0.46 0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 57.65 3ml9 s PHE 290 Cb 0.24 -2.54 0.25 0.00 0.51 0.00 0.00 43.02 41.49 3ml9 s PHE 290 CO 0.32 0.22 1.90 1.96 0.70 0.00 0.00 175.22 180.33 3ml9 h GLN 291 N 6.47 1.18 -0.62 0.44 1.08 -1.73 -1.41 115.11 120.51 3ml9 h GLN 291 Ca -0.42 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3ml9 h GLN 291 Cb 1.18 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 3ml9 h GLN 291 CO 0.74 0.78 0.36 2.35 -0.95 0.00 0.00 178.83 182.11 3ml9 h TRP 292 N 1.21 0.82 -0.14 2.96 2.91 -1.94 0.39 115.95 122.16 3ml9 h TRP 292 Ca 0.35 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.36 3ml9 h TRP 292 Cb -0.08 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.29 3ml9 h TRP 292 CO -0.01 0.56 0.06 0.28 -1.03 0.00 0.00 178.44 178.30 3ml9 h VAL 293 N 0.86 1.14 0.00 2.65 2.07 -1.60 -1.00 116.25 120.37 3ml9 h VAL 293 Ca 0.22 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3ml9 h VAL 293 Cb -0.01 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3ml9 h VAL 293 CO -0.04 0.13 -0.24 0.03 0.02 0.00 0.00 177.57 177.46 3ml9 h ARG 294 N 0.08 0.00 -0.07 1.57 3.08 -0.38 0.15 114.38 118.80 3ml9 h ARG 294 Ca 0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3ml9 h ARG 294 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3ml9 h ARG 294 CO -0.00 0.24 -0.66 1.25 -1.07 0.00 0.00 179.97 179.73 3ml9 h HIS 295 N 0.00 0.40 -0.01 3.04 2.76 -0.11 -1.67 115.15 119.56 3ml9 h HIS 295 Ca -0.00 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.00 3ml9 h HIS 295 Cb 0.45 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 3ml9 h HIS 295 CO 0.00 0.87 0.00 0.00 -1.30 0.00 0.00 177.93 177.50 3ml9 h LEU 297 N -0.23 0.24 -0.77 0.00 3.38 -0.80 0.16 115.31 117.30 3ml9 h LEU 297 Ca 0.00 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ml9 h LEU 297 Cb 0.26 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3ml9 h LEU 297 CO 0.00 0.18 0.43 0.50 0.09 0.00 0.00 178.44 179.63 3ml9 h LYS 298 N 0.29 0.71 -0.69 1.13 3.64 -1.34 -1.15 116.57 119.16 3ml9 h LYS 298 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ml9 h LYS 298 Cb -0.03 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3ml9 h LYS 298 CO -0.02 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.72 3ml9 n ASN 299 N -4.77 4.48 -3.22 4.20 3.02 -1.07 -5.00 115.26 112.91 3ml9 n ASN 299 Ca 0.12 -2.27 -0.21 0.00 -0.03 0.00 0.00 54.58 52.19 3ml9 n ASN 299 Cb 0.25 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.89 3ml9 n ASN 299 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ml9 n GLY 300 N 1.37 -0.74 3.19 7.41 0.00 0.43 -5.02 105.19 111.82 3ml9 n GLY 300 Ca 0.26 1.09 -0.13 0.00 0.00 0.00 0.00 46.02 47.23 3ml9 n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml9 s GLU 301 N -2.82 0.50 0.47 1.61 2.02 -0.34 -5.01 118.70 115.13 3ml9 s GLU 301 Ca 0.25 0.01 -0.24 0.00 0.02 0.00 0.00 54.97 55.01 3ml9 s GLU 301 Cb -0.04 0.22 -0.07 0.00 0.10 0.00 0.00 34.13 34.33 3ml9 s GLU 301 CO 0.82 -0.11 1.40 -1.83 0.02 0.00 0.00 175.26 175.56 3ml9 s GLU 302 N -0.73 3.59 -0.34 1.61 -1.05 -1.26 -4.62 118.70 115.89 3ml9 s GLU 302 Ca -0.08 2.34 -0.14 0.00 -0.15 0.00 0.00 54.97 56.94 3ml9 s GLU 302 Cb -0.04 -2.57 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 3ml9 s GLU 302 CO 0.02 -0.87 0.33 0.42 0.95 0.00 0.00 175.26 176.11 3ml9 s ILE 303 N -1.24 5.20 -0.22 1.83 1.01 -1.26 -4.99 121.20 121.54 3ml9 s ILE 303 Ca 0.63 -0.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 3ml9 s ILE 303 Cb -0.42 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3ml9 s ILE 303 CO 0.53 -0.06 -0.02 -1.00 0.00 0.00 0.00 174.94 174.40 3ml9 s HIS 304 N 1.94 2.99 0.08 3.97 3.76 -1.26 0.81 115.29 127.58 3ml9 s HIS 304 Ca 0.10 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 3ml9 s HIS 304 Cb -0.17 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 3ml9 s HIS 304 CO 0.11 -0.47 0.01 0.08 -0.85 0.00 0.00 174.74 173.63 3ml9 s VAL 305 N 1.43 4.11 -0.95 -0.90 1.01 -0.34 -0.77 120.40 123.99 3ml9 s VAL 305 Ca 0.05 -0.92 0.17 0.00 0.00 0.00 0.00 61.98 61.28 3ml9 s VAL 305 Cb -0.14 -2.95 -0.15 0.00 0.00 0.00 0.00 36.38 33.14 3ml9 s VAL 305 CO -0.01 0.14 0.75 0.55 0.00 0.00 0.00 175.10 176.53 3ml9 n VAL 306 N 0.63 0.00 -3.07 2.92 3.14 -0.70 0.84 118.33 122.08 3ml9 n VAL 306 Ca -0.11 -0.15 -0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3ml9 n VAL 306 Cb 0.52 1.04 -0.00 0.00 -1.06 0.00 0.00 33.84 34.34 3ml9 n VAL 306 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3ml9 n LEU 307 N -1.13 -4.57 0.00 6.55 0.00 -1.25 -4.53 117.00 112.07 3ml9 n LEU 307 Ca 0.04 0.76 0.00 0.00 0.00 0.00 0.00 56.01 56.81 3ml9 n LEU 307 Cb 0.28 -1.91 0.00 0.00 0.00 0.00 0.00 43.42 41.79 3ml9 n LEU 307 CO 0.31 -2.10 0.00 -0.90 0.00 0.00 0.00 177.39 174.71 3ml9 n ASP 308 N 1.48 0.00 -4.88 1.96 5.75 0.73 -4.89 116.55 116.70 3ml9 n ASP 308 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.40 3ml9 n ASP 308 Cb 0.33 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 3ml9 n ASP 308 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ml9 s THR 309 N 0.09 5.38 0.42 2.12 2.01 -1.26 0.20 115.64 124.59 3ml9 s THR 309 Ca 0.00 0.25 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 3ml9 s THR 309 Cb 0.00 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 3ml9 s THR 309 CO 0.00 0.51 1.19 -2.65 -0.69 0.00 0.00 174.62 172.99 3ml9 n PRO 310 N 1.61 1.75 -1.42 4.92 -0.02 -1.26 -4.86 135.00 135.72 3ml9 n PRO 310 Ca -0.16 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 3ml9 n PRO 310 Cb 0.54 -2.27 0.09 0.00 -0.02 0.00 0.00 33.50 31.84 3ml9 n PRO 310 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ml9 s PRO 311 N -2.14 2.15 -0.24 0.52 0.04 -1.26 -4.96 135.00 129.11 3ml9 s PRO 311 Ca 0.62 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 63.14 3ml9 s PRO 311 Cb -0.53 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3ml9 s PRO 311 CO 0.58 -1.81 0.60 0.34 0.04 0.00 0.00 177.00 176.74 3ml9 s ASP 312 N -2.18 6.58 0.43 6.66 2.15 -1.26 -4.94 116.67 124.11 3ml9 s ASP 312 Ca 0.73 0.71 0.17 0.00 0.43 0.00 0.00 52.55 54.58 3ml9 s ASP 312 Cb -0.27 -2.33 1.07 0.00 -0.30 0.00 0.00 42.92 41.10 3ml9 s ASP 312 CO 0.46 -0.31 1.90 -0.65 -0.17 0.00 0.00 175.17 176.39 3ml9 h PRO 313 N 7.76 0.39 0.00 4.34 0.11 -1.93 -1.64 132.00 141.03 3ml9 h PRO 313 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ml9 h PRO 313 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ml9 h PRO 313 CO 0.76 0.26 0.04 0.00 -0.21 0.00 0.00 178.00 178.85 3ml9 n ALA 314 N -2.53 0.96 1.07 -0.75 0.00 -1.26 0.12 120.51 118.12 3ml9 n ALA 314 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.85 3ml9 n ALA 314 Cb 0.60 -1.12 0.39 0.00 0.00 0.00 0.00 19.45 19.32 3ml9 n ALA 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ml9 n LEU 315 N -1.94 0.42 -1.70 0.00 4.77 -0.62 -3.36 117.00 114.58 3ml9 n LEU 315 Ca -0.01 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3ml9 n LEU 315 Cb 0.06 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.24 3ml9 n LEU 315 CO 0.06 0.10 0.84 0.47 -1.33 0.00 0.00 177.39 177.53 3ml9 n ASP 316 N -1.36 5.28 -4.78 -1.43 8.00 0.12 -1.17 116.55 121.20 3ml9 n ASP 316 Ca 0.07 -2.79 -0.37 0.00 0.71 0.00 0.00 54.79 52.41 3ml9 n ASP 316 Cb 0.33 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 3ml9 n ASP 316 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ml9 s GLU 317 N -2.49 4.57 -0.15 -1.24 -6.30 -1.21 -4.42 118.70 107.46 3ml9 s GLU 317 Ca 0.52 1.27 -0.08 0.00 -2.50 0.00 0.00 54.97 54.18 3ml9 s GLU 317 Cb 0.38 -2.89 -0.04 0.00 0.00 0.00 0.00 34.13 31.58 3ml9 s GLU 317 CO 0.18 0.34 0.14 0.08 0.02 0.00 0.00 175.26 176.02 3ml9 s VAL 318 N -1.53 5.46 0.62 3.70 1.01 -1.26 -2.65 120.40 125.76 3ml9 s VAL 318 Ca 0.47 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 3ml9 s VAL 318 Cb -0.19 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3ml9 s VAL 318 CO 0.24 0.55 1.07 0.00 0.00 0.00 0.00 175.10 176.96 3ml9 s ARG 319 N -0.48 3.15 0.16 2.72 1.70 -1.26 -4.93 118.95 120.01 3ml9 s ARG 319 Ca 0.13 1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 56.29 3ml9 s ARG 319 Cb -0.12 -2.01 -0.08 0.00 -0.57 0.00 0.00 34.95 32.17 3ml9 s ARG 319 CO 0.02 -0.95 1.30 0.15 -1.08 0.00 0.00 175.30 174.74 3ml9 s LYS 320 N -4.21 4.39 0.00 3.89 3.01 -1.26 -5.09 119.74 120.48 3ml9 s LYS 320 Ca 0.64 2.00 0.00 0.00 -1.01 0.00 0.00 55.97 57.60 3ml9 s LYS 320 Cb -0.17 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.42 3ml9 s LYS 320 CO 0.40 -0.27 0.00 0.39 0.51 0.00 0.00 175.35 176.38 3ml9 n GLU 321 N 3.07 3.38 0.00 1.68 -0.58 -1.26 -5.11 120.64 121.82 3ml9 n GLU 321 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3ml9 n GLU 321 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 3ml9 n GLU 321 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3ml9 n THR 351 N 0.00 0.00 -3.91 2.62 -1.04 -1.26 -5.27 114.28 105.42 3ml9 n THR 351 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3ml9 n THR 351 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3ml9 n THR 351 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ml9 s VAL 352 N 0.00 5.42 -0.00 12.58 1.01 0.27 -4.92 120.40 134.76 3ml9 s VAL 352 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 3ml9 s VAL 352 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3ml9 s VAL 352 CO 0.00 0.61 1.34 -0.55 0.00 0.00 0.00 175.10 176.49 3ml9 s SER 353 N -0.93 6.92 0.52 3.32 0.15 -1.26 -0.79 113.70 121.63 3ml9 s SER 353 Ca 0.14 2.04 0.28 0.00 0.70 0.00 0.00 55.95 59.12 3ml9 s SER 353 Cb -0.12 -2.56 1.41 0.00 -1.71 0.00 0.00 66.02 63.04 3ml9 s SER 353 CO 0.04 -0.66 1.92 0.25 1.20 0.00 0.00 173.24 175.98 3ml9 h LEU 354 N 8.12 0.04 -0.13 3.45 5.85 -1.66 -0.54 115.31 130.45 3ml9 h LEU 354 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ml9 h LEU 354 Cb 1.18 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ml9 h LEU 354 CO 0.89 0.02 0.00 0.79 -0.34 0.00 0.00 178.44 179.80 3ml9 n TRP 355 N -4.33 0.00 -1.66 1.25 8.01 -1.26 -2.44 117.44 117.01 3ml9 n TRP 355 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 3ml9 n TRP 355 Cb 0.82 -0.01 0.18 0.00 -2.01 0.00 0.00 31.31 30.28 3ml9 n TRP 355 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3ml9 n ASP 356 N -0.43 2.30 -3.74 -0.99 8.00 -0.21 -4.97 116.55 116.50 3ml9 n ASP 356 Ca 0.00 -3.88 -0.30 0.00 0.71 0.00 0.00 54.79 51.32 3ml9 n ASP 356 Cb 0.03 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 3ml9 n ASP 356 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ml9 n ASP 358 N 4.44 0.46 -4.59 0.00 9.92 -1.26 -2.48 116.55 123.03 3ml9 n ASP 358 Ca 0.02 0.25 -0.49 0.00 -0.53 0.00 0.00 54.79 54.04 3ml9 n ASP 358 Cb 0.40 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 40.60 3ml9 n ASP 358 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3ml9 n ARG 359 N -1.81 1.28 -1.87 -1.24 0.63 -1.26 -4.70 116.66 107.70 3ml9 n ARG 359 Ca 0.05 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 57.02 3ml9 n ARG 359 Cb 0.38 -2.00 -0.03 0.00 0.45 0.00 0.00 32.46 31.26 3ml9 n ARG 359 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ml9 s LYS 360 N -0.21 4.19 0.60 -0.14 1.02 -1.26 -1.80 119.74 122.13 3ml9 s LYS 360 Ca 0.75 2.44 -0.18 0.00 0.02 0.00 0.00 55.97 58.99 3ml9 s LYS 360 Cb -0.84 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3ml9 s LYS 360 CO 0.51 -0.66 1.17 0.12 -0.92 0.00 0.00 175.35 175.57 3ml9 s PHE 361 N 1.24 2.48 0.23 3.18 5.36 0.60 -4.76 117.98 126.30 3ml9 s PHE 361 Ca 0.72 1.54 -0.19 0.00 -0.96 0.00 0.00 56.93 58.04 3ml9 s PHE 361 Cb -0.45 -3.38 0.03 0.00 -0.34 0.00 0.00 43.02 38.87 3ml9 s PHE 361 CO 0.32 -1.99 0.59 -0.98 -1.46 0.00 0.00 175.22 171.70 3ml9 s ARG 362 N -3.46 1.52 -0.14 10.12 1.70 -1.26 -0.27 118.95 127.16 3ml9 s ARG 362 Ca 0.74 -0.90 -0.12 0.00 -0.47 0.00 0.00 55.73 54.98 3ml9 s ARG 362 Cb -0.27 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.70 3ml9 s ARG 362 CO 0.33 -0.67 0.36 0.54 -1.08 0.00 0.00 175.30 174.79 3ml9 s VAL 363 N -3.89 -0.01 -0.15 4.99 0.11 -0.95 -4.44 120.40 116.06 3ml9 s VAL 363 Ca 0.10 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 3ml9 s VAL 363 Cb -0.03 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 3ml9 s VAL 363 CO 0.01 0.01 0.37 -0.75 -3.33 0.00 0.00 175.10 171.41 3ml9 s LYS 364 N 0.44 4.28 -0.54 1.54 2.20 0.63 -0.41 119.74 127.88 3ml9 s LYS 364 Ca -0.02 0.23 -0.19 0.00 -0.36 0.00 0.00 55.97 55.63 3ml9 s LYS 364 Cb -0.04 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 32.91 3ml9 s LYS 364 CO -0.02 0.17 0.67 0.42 -0.36 0.00 0.00 175.35 176.22 3ml9 s ILE 365 N 0.65 4.83 0.19 5.43 -1.09 -0.51 -0.77 121.20 129.93 3ml9 s ILE 365 Ca 0.20 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 57.89 3ml9 s ILE 365 Cb -0.14 -4.37 0.10 0.00 -1.58 0.00 0.00 42.46 36.47 3ml9 s ILE 365 CO 0.07 -0.92 1.83 0.03 -1.23 0.00 0.00 174.94 174.71 3ml9 h ARG 366 N 9.07 0.85 0.00 2.79 3.08 -1.00 -1.28 114.38 127.89 3ml9 h ARG 366 Ca -0.28 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ml9 h ARG 366 Cb 1.09 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3ml9 h ARG 366 CO 1.01 0.60 0.00 0.41 -1.07 0.00 0.00 179.97 180.93 3ml9 n GLY 367 N -1.17 0.61 3.10 0.04 0.00 -1.13 -1.42 105.19 105.22 3ml9 n GLY 367 Ca 0.05 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 3ml9 n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ml9 s ILE 368 N -1.99 0.89 -0.03 -0.61 -4.36 0.13 -1.12 121.20 114.11 3ml9 s ILE 368 Ca 0.00 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.48 3ml9 s ILE 368 Cb 0.00 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.88 3ml9 s ILE 368 CO 0.00 -0.08 -0.10 1.51 0.24 0.00 0.00 174.94 176.51 3ml9 s ASP 369 N -1.14 1.36 -0.06 4.36 -4.77 -0.83 -0.58 116.67 115.01 3ml9 s ASP 369 Ca -0.01 -0.21 0.03 0.00 -3.30 0.00 0.00 52.55 49.05 3ml9 s ASP 369 Cb -0.08 -0.39 0.01 0.00 -1.09 0.00 0.00 42.92 41.37 3ml9 s ASP 369 CO 0.01 0.07 -0.13 -0.51 0.70 0.00 0.00 175.17 175.31 3ml9 s ILE 370 N 0.23 1.20 0.58 2.11 -1.16 -0.82 -1.49 121.20 121.85 3ml9 s ILE 370 Ca -0.04 -0.54 0.28 0.00 -0.51 0.00 0.00 60.65 59.84 3ml9 s ILE 370 Cb -0.10 -1.07 0.35 0.00 0.61 0.00 0.00 42.46 42.25 3ml9 s ILE 370 CO 0.01 0.36 2.20 -0.65 -2.81 0.00 0.00 174.94 174.05 3ml9 h PRO 371 N 6.72 0.00 -2.01 3.50 0.11 -1.83 -3.44 132.00 135.05 3ml9 h PRO 371 Ca -0.31 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.83 3ml9 h PRO 371 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.09 3ml9 h PRO 371 CO 0.48 0.00 -0.03 0.54 -0.21 0.00 0.00 178.00 178.78 3ml9 s VAL 372 N -4.67 -0.28 0.00 3.15 0.11 -1.26 -5.06 120.40 112.38 3ml9 s VAL 372 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3ml9 s VAL 372 Cb 0.15 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3ml9 s VAL 372 CO 0.56 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 172.22 3ml9 n LEU 373 N 4.64 0.00 0.00 2.54 0.00 -1.26 -5.08 117.00 117.84 3ml9 n LEU 373 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 3ml9 n LEU 373 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 3ml9 n LEU 373 CO -0.02 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.55 3ml9 n LEU 379 N 0.00 0.00 -4.58 -1.96 7.99 -1.26 -5.19 117.00 112.00 3ml9 n LEU 379 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 3ml9 n LEU 379 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 3ml9 n LEU 379 CO 0.00 0.00 -0.40 0.28 -1.51 0.00 0.00 177.39 175.76 3ml9 s THR 380 N -2.78 3.56 0.02 -5.08 -1.32 -1.26 -0.84 115.64 107.93 3ml9 s THR 380 Ca 0.00 -0.78 -0.01 0.00 -1.21 0.00 0.00 61.69 59.70 3ml9 s THR 380 Cb 0.00 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3ml9 s THR 380 CO 0.00 0.42 -0.01 0.54 -2.21 0.00 0.00 174.62 173.35 3ml9 s VAL 381 N -0.96 0.10 0.18 5.08 0.11 0.66 -4.05 120.40 121.53 3ml9 s VAL 381 Ca 0.16 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.22 3ml9 s VAL 381 Cb -0.11 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.51 3ml9 s VAL 381 CO 0.06 -0.45 0.49 0.72 -3.33 0.00 0.00 175.10 172.59 3ml9 s PHE 382 N -1.35 -0.08 -0.16 1.54 -0.71 -1.07 -0.80 117.98 115.34 3ml9 s PHE 382 Ca -0.15 -0.26 -0.04 0.00 -1.04 0.00 0.00 56.93 55.45 3ml9 s PHE 382 Cb -0.09 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 3ml9 s PHE 382 CO -0.01 -0.87 -0.02 0.08 -1.34 0.00 0.00 175.22 173.06 3ml9 s VAL 383 N -3.87 3.99 -0.16 -2.49 1.01 -1.26 -1.55 120.40 116.06 3ml9 s VAL 383 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3ml9 s VAL 383 Cb -0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3ml9 s VAL 383 CO -0.04 0.48 -0.00 -0.70 0.00 0.00 0.00 175.10 174.84 3ml9 s GLU 384 N 0.42 3.75 -0.16 2.72 2.12 0.11 -1.93 118.70 125.73 3ml9 s GLU 384 Ca -0.03 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.85 3ml9 s GLU 384 Cb -0.14 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3ml9 s GLU 384 CO 0.03 0.28 -0.16 0.00 -0.54 0.00 0.00 175.26 174.86 3ml9 s ALA 385 N 0.30 2.47 -0.00 6.30 0.00 -0.45 -0.12 121.76 130.25 3ml9 s ALA 385 Ca -0.01 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.97 3ml9 s ALA 385 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 3ml9 s ALA 385 CO 0.02 -0.06 -0.26 -0.80 0.00 0.00 0.00 175.76 174.66 3ml9 s ASN 386 N 0.86 3.03 -0.46 0.00 0.01 0.39 -2.23 114.94 116.54 3ml9 s ASN 386 Ca -0.05 -0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 51.47 3ml9 s ASN 386 Cb -0.15 -0.32 0.07 0.00 0.41 0.00 0.00 41.25 41.26 3ml9 s ASN 386 CO -0.01 0.30 0.37 -0.63 -1.51 0.00 0.00 177.10 175.62 3ml9 s ILE 387 N -0.65 5.04 -0.00 0.60 1.01 -0.69 0.62 121.20 127.14 3ml9 s ILE 387 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3ml9 s ILE 387 Cb -0.10 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3ml9 s ILE 387 CO -0.00 -0.56 0.07 -1.10 0.00 0.00 0.00 174.94 173.34 3ml9 s GLN 388 N 1.60 3.01 -0.08 2.79 -0.21 -0.34 -0.11 119.66 126.31 3ml9 s GLN 388 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.91 3ml9 s GLN 388 Cb -0.24 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 30.97 3ml9 s GLN 388 CO 0.06 0.64 -0.07 -1.58 -2.12 0.00 0.00 175.29 172.22 3ml9 s HIS 389 N -1.18 1.25 -1.45 0.91 2.46 0.06 -0.52 115.29 116.82 3ml9 s HIS 389 Ca 0.22 -0.52 -0.04 0.00 0.47 0.00 0.00 55.06 55.19 3ml9 s HIS 389 Cb -0.12 -1.04 0.03 0.00 -0.13 0.00 0.00 32.58 31.33 3ml9 s HIS 389 CO 0.13 -0.37 0.56 0.41 -2.47 0.00 0.00 174.74 173.00 3ml9 n GLY 390 N 4.51 -0.29 3.72 1.59 0.00 -1.26 -0.34 105.19 113.13 3ml9 n GLY 390 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ml9 n GLY 390 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ml9 n GLN 391 N -4.41 0.00 -2.75 1.61 -0.06 -1.26 -4.54 117.38 105.97 3ml9 n GLN 391 Ca -0.22 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.37 3ml9 n GLN 391 Cb 0.64 -2.62 -0.04 0.00 -4.06 0.00 0.00 30.24 24.16 3ml9 n GLN 391 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3ml9 s GLN 392 N -0.07 4.66 -0.27 3.69 0.74 0.54 -5.05 119.66 123.90 3ml9 s GLN 392 Ca 0.00 1.41 -0.12 0.00 0.05 0.00 0.00 55.36 56.70 3ml9 s GLN 392 Cb 0.00 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 3ml9 s GLN 392 CO 0.00 0.19 0.23 0.08 -0.55 0.00 0.00 175.29 175.24 3ml9 s VAL 393 N 0.12 5.29 -0.17 1.34 1.01 -1.26 -0.76 120.40 125.96 3ml9 s VAL 393 Ca 0.47 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 3ml9 s VAL 393 Cb -0.23 -3.57 -0.23 0.00 0.00 0.00 0.00 36.38 32.36 3ml9 s VAL 393 CO 0.29 0.25 0.50 -0.07 0.00 0.00 0.00 175.10 176.06 3ml9 h LEU 394 N 8.25 0.02 -7.64 3.92 3.38 -0.88 -3.49 115.31 118.87 3ml9 h LEU 394 Ca -0.35 -0.76 -0.09 0.00 0.09 0.00 0.00 57.88 56.78 3ml9 h LEU 394 Cb 1.18 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 3ml9 h LEU 394 CO 0.59 1.26 -0.28 0.00 0.09 0.00 0.00 178.44 180.10 3ml9 s GLN 396 N -3.23 0.29 0.04 0.00 0.74 -1.26 -1.70 119.66 114.54 3ml9 s GLN 396 Ca -0.00 -0.18 -0.10 0.00 0.05 0.00 0.00 55.36 55.14 3ml9 s GLN 396 Cb 0.02 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.87 3ml9 s GLN 396 CO -0.08 0.07 0.20 1.03 -0.55 0.00 0.00 175.29 175.96 3ml9 s ARG 397 N -0.22 0.69 0.34 1.67 1.81 -0.95 -4.93 118.95 117.37 3ml9 s ARG 397 Ca 0.00 -0.61 0.04 0.00 -1.72 0.00 0.00 55.73 53.44 3ml9 s ARG 397 Cb -0.02 0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.70 3ml9 s ARG 397 CO -0.00 -0.20 0.06 1.03 -0.68 0.00 0.00 175.30 175.51 3ml9 s ARG 398 N -2.50 1.71 0.36 3.54 0.52 -1.26 -1.34 118.95 119.99 3ml9 s ARG 398 Ca -0.06 -1.96 0.07 0.00 -0.52 0.00 0.00 55.73 53.26 3ml9 s ARG 398 Cb -0.01 -0.94 -0.00 0.00 0.52 0.00 0.00 34.95 34.51 3ml9 s ARG 398 CO -0.03 -0.20 0.49 0.95 0.02 0.00 0.00 175.30 176.52 3ml9 s THR 399 N -3.23 3.67 0.67 0.02 -4.23 -0.81 -5.00 115.64 106.73 3ml9 s THR 399 Ca 0.35 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 3ml9 s THR 399 Cb 0.08 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3ml9 s THR 399 CO 0.15 -0.11 1.17 -0.94 -0.54 0.00 0.00 174.62 174.35 3ml9 s SER 400 N -4.22 4.81 0.75 3.99 1.04 -1.26 -4.62 113.70 114.20 3ml9 s SER 400 Ca 0.48 2.22 -0.12 0.00 0.48 0.00 0.00 55.95 59.01 3ml9 s SER 400 Cb -0.09 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.50 3ml9 s SER 400 CO 0.31 -1.84 1.11 -2.84 0.98 0.00 0.00 173.24 170.97 3ml9 s PRO 401 N -3.83 2.26 0.05 4.02 0.02 -1.26 -4.72 135.00 131.54 3ml9 s PRO 401 Ca 0.72 1.31 -0.14 0.00 0.02 0.00 0.00 61.00 62.91 3ml9 s PRO 401 Cb -0.26 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3ml9 s PRO 401 CO 0.40 -1.66 0.31 0.21 -0.33 0.00 0.00 177.00 175.93 3ml9 s LYS 402 N -4.58 0.83 0.37 5.54 2.47 0.02 -4.94 119.74 119.44 3ml9 s LYS 402 Ca 0.64 -0.52 -0.28 0.00 -1.56 0.00 0.00 55.97 54.25 3ml9 s LYS 402 Cb -0.19 0.36 -0.11 0.00 -1.46 0.00 0.00 37.83 36.42 3ml9 s LYS 402 CO 0.51 -0.27 1.46 -2.30 0.16 0.00 0.00 175.35 174.92 3ml9 n PRO 403 N 0.51 2.59 -2.89 4.03 -0.02 -1.26 -0.24 135.00 137.73 3ml9 n PRO 403 Ca -0.18 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 3ml9 n PRO 403 Cb 0.60 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 3ml9 n PRO 403 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3ml9 s PHE 404 N -1.05 2.74 0.06 6.00 2.19 -0.02 -4.77 117.98 123.13 3ml9 s PHE 404 Ca 0.54 -0.45 0.00 0.00 0.33 0.00 0.00 56.93 57.36 3ml9 s PHE 404 Cb -0.49 -4.18 -0.00 0.00 -1.31 0.00 0.00 43.02 37.04 3ml9 s PHE 404 CO 0.63 -1.52 0.00 0.25 1.83 0.00 0.00 175.22 176.41 3ml9 n THR 405 N 5.95 0.00 0.26 0.12 -2.24 -1.26 -4.71 114.28 112.39 3ml9 n THR 405 Ca -0.03 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3ml9 n THR 405 Cb 0.46 0.06 0.68 0.00 -2.10 0.00 0.00 70.33 69.43 3ml9 n THR 405 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ml9 h GLU 406 N 0.00 0.00 -3.37 -0.78 4.39 -1.94 -3.42 114.58 109.46 3ml9 h GLU 406 Ca -0.05 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.45 3ml9 h GLU 406 Cb 0.14 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.51 3ml9 h GLU 406 CO 0.07 0.13 -0.57 -2.00 -1.16 0.00 0.00 179.01 175.48 3ml9 s GLU 407 N -3.99 0.14 -0.09 2.33 2.12 -1.26 -1.94 118.70 116.01 3ml9 s GLU 407 Ca -0.02 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 3ml9 s GLU 407 Cb 0.12 0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.56 3ml9 s GLU 407 CO 0.58 -0.05 0.03 0.08 -0.54 0.00 0.00 175.26 175.36 3ml9 s VAL 408 N 0.33 0.22 0.06 3.70 1.01 0.26 -5.00 120.40 120.98 3ml9 s VAL 408 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3ml9 s VAL 408 Cb -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3ml9 s VAL 408 CO -0.01 0.12 -0.15 -0.76 0.00 0.00 0.00 175.10 174.30 3ml9 s LEU 409 N 2.03 2.80 0.00 3.92 1.43 -1.26 0.21 118.68 127.80 3ml9 s LEU 409 Ca 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3ml9 s LEU 409 Cb -0.13 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3ml9 s LEU 409 CO -0.05 0.23 0.00 0.79 0.23 0.00 0.00 176.35 177.54 3ml9 n TRP 410 N 1.22 0.00 -2.27 0.29 8.01 -0.51 -4.95 117.44 119.24 3ml9 n TRP 410 Ca -0.15 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.88 3ml9 n TRP 410 Cb 0.52 0.09 -0.02 0.00 -2.01 0.00 0.00 31.31 29.89 3ml9 n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3ml9 n ASN 411 N -2.47 -4.72 -4.84 -0.99 5.15 -0.49 -4.97 115.26 101.92 3ml9 n ASN 411 Ca 0.00 0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.75 3ml9 n ASN 411 Cb 0.32 -4.01 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 3ml9 n ASN 411 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ml9 s VAL 412 N -2.73 5.06 0.18 3.44 -7.23 -1.19 -4.91 120.40 113.02 3ml9 s VAL 412 Ca 0.00 0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 60.63 3ml9 s VAL 412 Cb 0.00 -3.69 -0.08 0.00 0.56 0.00 0.00 36.38 33.18 3ml9 s VAL 412 CO 0.00 0.55 1.05 0.26 -0.31 0.00 0.00 175.10 176.64 3ml9 s TRP 413 N -1.12 3.70 -0.36 2.82 0.52 -1.26 -1.43 118.94 121.81 3ml9 s TRP 413 Ca 0.24 1.70 -0.07 0.00 0.02 0.00 0.00 56.10 58.00 3ml9 s TRP 413 Cb -0.16 -3.19 0.05 0.00 -1.15 0.00 0.00 33.47 29.03 3ml9 s TRP 413 CO 0.13 -0.27 0.14 -0.51 0.02 0.00 0.00 176.95 176.47 3ml9 s LEU 414 N -0.50 4.55 -0.07 2.99 1.43 0.46 -4.97 118.68 122.57 3ml9 s LEU 414 Ca 0.47 -1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 3ml9 s LEU 414 Cb -0.28 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ml9 s LEU 414 CO 0.34 -0.38 0.70 -0.70 0.23 0.00 0.00 176.35 176.53 3ml9 s GLU 415 N 1.39 4.44 0.32 1.70 2.12 -1.26 -2.24 118.70 125.17 3ml9 s GLU 415 Ca -0.00 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.21 3ml9 s GLU 415 Cb -0.20 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 3ml9 s GLU 415 CO 0.02 0.07 0.52 -0.06 -0.54 0.00 0.00 175.26 175.27 3ml9 s PHE 416 N 0.78 3.49 -2.02 5.30 0.40 0.63 -4.94 117.98 121.61 3ml9 s PHE 416 Ca 0.37 0.31 0.08 0.00 -0.60 0.00 0.00 56.93 57.09 3ml9 s PHE 416 Cb -0.18 -1.86 0.30 0.00 0.51 0.00 0.00 43.02 41.80 3ml9 s PHE 416 CO 0.18 0.18 1.22 -1.13 0.70 0.00 0.00 175.22 176.37 3ml9 n SER 417 N -1.64 0.76 -4.62 1.36 3.41 -1.26 -4.28 113.62 107.36 3ml9 n SER 417 Ca -0.05 -1.90 -0.32 0.00 -0.26 0.00 0.00 58.87 56.33 3ml9 n SER 417 Cb 0.56 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 3ml9 n SER 417 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ml9 s ILE 418 N -1.83 3.80 0.31 -1.33 1.01 -1.26 -5.01 121.20 116.90 3ml9 s ILE 418 Ca 0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 3ml9 s ILE 418 Cb 0.07 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 3ml9 s ILE 418 CO 0.10 0.39 0.70 -0.54 0.00 0.00 0.00 174.94 175.59 3ml9 s LYS 419 N -1.46 3.92 0.32 2.79 1.02 -1.26 -0.29 119.74 124.79 3ml9 s LYS 419 Ca 0.18 0.54 0.06 0.00 0.02 0.00 0.00 55.97 56.77 3ml9 s LYS 419 Cb -0.11 -2.48 0.74 0.00 -0.52 0.00 0.00 37.83 35.46 3ml9 s LYS 419 CO 0.08 0.17 1.83 0.82 -0.92 0.00 0.00 175.35 177.33 3ml9 h ILE 420 N 1.84 0.81 0.00 2.17 1.08 -1.36 0.11 117.51 122.17 3ml9 h ILE 420 Ca -0.48 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3ml9 h ILE 420 Cb 1.18 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3ml9 h ILE 420 CO 0.66 0.14 0.00 2.29 -0.69 0.00 0.00 178.15 180.55 3ml9 n LYS 421 N -4.63 0.19 -0.03 2.37 2.85 -1.04 -3.07 118.16 114.80 3ml9 n LYS 421 Ca 0.20 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.79 3ml9 n LYS 421 Cb 0.48 -1.75 0.23 0.00 -0.65 0.00 0.00 35.03 33.34 3ml9 n LYS 421 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ml9 n ASP 422 N -2.09 2.65 -4.69 -5.58 8.00 0.01 -4.57 116.55 110.29 3ml9 n ASP 422 Ca 0.05 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3ml9 n ASP 422 Cb 0.37 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3ml9 n ASP 422 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ml9 s LEU 423 N -1.89 4.28 0.42 0.64 1.43 -1.13 -4.06 118.68 118.37 3ml9 s LEU 423 Ca 0.32 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 3ml9 s LEU 423 Cb 0.20 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.77 3ml9 s LEU 423 CO 0.31 -0.58 0.90 -2.16 0.23 0.00 0.00 176.35 175.05 3ml9 s PRO 424 N 2.21 4.11 0.17 1.29 0.04 -1.26 -5.02 135.00 136.54 3ml9 s PRO 424 Ca 0.56 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 3ml9 s PRO 424 Cb -0.25 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.96 3ml9 s PRO 424 CO 0.22 -0.03 1.53 0.21 0.04 0.00 0.00 177.00 178.97 3ml9 s LYS 425 N -3.33 4.23 0.00 4.56 2.20 -1.26 -1.88 119.74 124.26 3ml9 s LYS 425 Ca 0.59 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 3ml9 s LYS 425 Cb -0.09 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3ml9 s LYS 425 CO 0.18 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 3ml9 n GLY 426 N 3.49 0.46 3.62 5.54 0.00 -1.26 -4.63 105.19 112.42 3ml9 n GLY 426 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3ml9 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml9 n ALA 427 N -1.47 0.31 -2.67 4.61 0.00 -0.79 -4.80 120.51 115.71 3ml9 n ALA 427 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 3ml9 n ALA 427 Cb 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.22 3ml9 n ALA 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ml9 s LEU 428 N -0.29 2.84 -0.28 0.00 1.43 0.33 -2.32 118.68 120.39 3ml9 s LEU 428 Ca 0.60 -0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 3ml9 s LEU 428 Cb -0.61 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3ml9 s LEU 428 CO 0.59 0.30 0.81 -0.22 0.23 0.00 0.00 176.35 178.06 3ml9 s LEU 429 N -0.42 4.07 -0.27 1.79 2.96 0.41 -1.20 118.68 126.02 3ml9 s LEU 429 Ca 0.05 0.85 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3ml9 s LEU 429 Cb -0.12 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 3ml9 s LEU 429 CO 0.02 -0.57 0.09 0.21 -1.32 0.00 0.00 176.35 174.78 3ml9 s ASN 430 N 1.49 5.24 -0.19 3.68 3.84 0.20 -1.38 114.94 127.83 3ml9 s ASN 430 Ca 0.34 -0.34 -0.06 0.00 0.21 0.00 0.00 52.86 53.02 3ml9 s ASN 430 Cb -0.15 -1.94 -0.03 0.00 -0.55 0.00 0.00 41.25 38.58 3ml9 s ASN 430 CO 0.10 -0.09 0.01 -0.76 -2.79 0.00 0.00 177.10 173.57 3ml9 s LEU 431 N 1.60 3.42 0.13 3.21 1.43 0.01 -0.46 118.68 128.03 3ml9 s LEU 431 Ca 0.06 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3ml9 s LEU 431 Cb -0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3ml9 s LEU 431 CO 0.04 0.11 -0.12 -1.10 0.23 0.00 0.00 176.35 175.51 3ml9 s GLN 432 N 0.72 1.02 -0.11 1.70 -0.21 0.83 -1.25 119.66 122.35 3ml9 s GLN 432 Ca 0.01 -1.30 0.01 0.00 0.02 0.00 0.00 55.36 54.10 3ml9 s GLN 432 Cb -0.14 -0.77 0.02 0.00 1.00 0.00 0.00 33.01 33.12 3ml9 s GLN 432 CO 0.02 0.13 -0.12 0.42 -2.12 0.00 0.00 175.29 173.62 3ml9 s ILE 433 N -2.55 1.32 0.47 1.08 1.01 -0.23 0.05 121.20 122.35 3ml9 s ILE 433 Ca 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3ml9 s ILE 433 Cb -0.02 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3ml9 s ILE 433 CO 0.02 0.41 0.13 -0.31 0.00 0.00 0.00 174.94 175.19 3ml9 s TYR 434 N 1.29 2.16 0.00 3.97 2.02 -0.60 -0.60 117.35 125.59 3ml9 s TYR 434 Ca -0.01 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 3ml9 s TYR 434 Cb -0.14 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3ml9 s TYR 434 CO -0.05 0.13 0.20 0.00 -1.57 0.00 0.00 175.55 174.26 3ml9 s VAL 458 N 0.00 1.33 0.09 0.00 1.01 -1.26 -4.53 120.40 117.04 3ml9 s VAL 458 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.41 3ml9 s VAL 458 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3ml9 s VAL 458 CO 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 175.10 175.25 3ml9 s ARG 459 N 0.05 1.34 0.17 2.72 1.70 -1.26 -5.14 118.95 118.53 3ml9 s ARG 459 Ca -0.03 -1.16 -0.21 0.00 -0.47 0.00 0.00 55.73 53.85 3ml9 s ARG 459 Cb -0.11 -1.63 -0.08 0.00 -0.57 0.00 0.00 34.95 32.56 3ml9 s ARG 459 CO 0.02 0.40 0.70 -1.17 -1.08 0.00 0.00 175.30 174.16 3ml9 s LEU 460 N -1.71 4.47 0.00 -1.89 2.96 -1.26 -4.36 118.68 116.89 3ml9 s LEU 460 Ca 0.09 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 3ml9 s LEU 460 Cb -0.10 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3ml9 s LEU 460 CO 0.04 0.15 0.00 0.18 -1.32 0.00 0.00 176.35 175.40 3ml9 n LEU 461 N 1.23 1.37 -3.86 -0.68 4.77 0.23 -4.83 117.00 115.23 3ml9 n LEU 461 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3ml9 n LEU 461 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 3ml9 n LEU 461 CO 0.44 0.18 -0.27 -0.31 -1.33 0.00 0.00 177.39 176.09 3ml9 s TYR 462 N -1.82 -0.04 0.06 -1.77 2.02 -1.22 -2.55 117.35 112.04 3ml9 s TYR 462 Ca 0.00 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3ml9 s TYR 462 Cb 0.00 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.53 3ml9 s TYR 462 CO 0.00 -0.09 -0.08 1.52 -1.57 0.00 0.00 175.55 175.33 3ml9 s TYR 463 N -0.28 0.80 0.12 2.71 -0.85 -0.77 -1.07 117.35 118.02 3ml9 s TYR 463 Ca -0.03 -0.59 -0.16 0.00 -0.52 0.00 0.00 57.07 55.77 3ml9 s TYR 463 Cb -0.02 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.88 3ml9 s TYR 463 CO 0.00 -0.08 0.39 0.54 -1.52 0.00 0.00 175.55 174.88 3ml9 s VAL 464 N -1.92 0.07 0.14 -3.49 0.11 -0.38 -1.02 120.40 113.90 3ml9 s VAL 464 Ca -0.03 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.48 3ml9 s VAL 464 Cb -0.06 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 3ml9 s VAL 464 CO -0.01 -0.33 -0.16 0.20 -3.33 0.00 0.00 175.10 171.47 3ml9 s ASN 465 N -2.79 2.31 -0.08 3.54 0.01 -1.26 -0.81 114.94 115.86 3ml9 s ASN 465 Ca 0.03 -0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 51.33 3ml9 s ASN 465 Cb 0.02 -0.11 0.05 0.00 0.41 0.00 0.00 41.25 41.62 3ml9 s ASN 465 CO -0.12 -0.08 0.17 -0.22 -1.51 0.00 0.00 177.10 175.34 3ml9 s LEU 466 N -2.46 0.30 0.19 0.60 2.96 -0.48 -4.79 118.68 115.00 3ml9 s LEU 466 Ca 0.11 0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 54.07 3ml9 s LEU 466 Cb -0.06 0.40 -0.11 0.00 0.50 0.00 0.00 46.19 46.93 3ml9 s LEU 466 CO 0.04 -0.19 1.61 -0.76 -1.32 0.00 0.00 176.35 175.73 3ml9 s LEU 467 N 1.71 4.37 0.21 -0.68 1.43 -1.26 -0.45 118.68 124.01 3ml9 s LEU 467 Ca -0.04 2.73 0.14 0.00 -1.03 0.00 0.00 54.13 55.94 3ml9 s LEU 467 Cb -0.12 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3ml9 s LEU 467 CO -0.06 -0.87 1.28 -0.07 0.23 0.00 0.00 176.35 176.86 3ml9 h LEU 468 N 6.53 0.00 -7.96 1.79 3.38 -1.81 -3.42 115.31 113.83 3ml9 h LEU 468 Ca -0.43 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 3ml9 h LEU 468 Cb 1.21 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.59 3ml9 h LEU 468 CO 0.91 0.59 -0.83 -0.63 0.09 0.00 0.00 178.44 178.58 3ml9 s ILE 469 N -2.91 2.11 0.93 1.22 1.01 -1.26 -1.32 121.20 120.97 3ml9 s ILE 469 Ca 0.02 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 3ml9 s ILE 469 Cb 0.08 -2.07 0.18 0.00 0.01 0.00 0.00 42.46 40.66 3ml9 s ILE 469 CO 0.77 0.24 1.28 1.51 0.00 0.00 0.00 174.94 178.74 3ml9 s ASP 470 N 1.19 3.33 0.12 3.58 -4.77 -0.85 -4.59 116.67 114.69 3ml9 s ASP 470 Ca -0.02 0.25 0.07 0.00 -3.30 0.00 0.00 52.55 49.54 3ml9 s ASP 470 Cb -0.17 -0.35 0.38 0.00 -1.09 0.00 0.00 42.92 41.69 3ml9 s ASP 470 CO -0.09 -2.59 1.16 0.00 0.70 0.00 0.00 175.17 174.35 3ml9 n HIS 471 N -3.65 0.24 0.57 2.11 -0.00 -1.26 -0.20 115.22 113.03 3ml9 n HIS 471 Ca 0.15 0.12 0.09 0.00 -0.00 0.00 0.00 57.72 58.08 3ml9 n HIS 471 Cb 0.60 -0.64 0.11 0.00 -0.00 0.00 0.00 29.99 30.06 3ml9 n HIS 471 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3ml9 n ARG 472 N -1.72 1.74 -1.04 -1.40 1.74 -1.26 -4.96 116.66 109.77 3ml9 n ARG 472 Ca -0.00 -1.72 -0.01 0.00 -0.77 0.00 0.00 57.85 55.34 3ml9 n ARG 472 Cb 0.08 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 3ml9 n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ml9 n PHE 473 N 1.04 0.00 -3.39 -1.55 3.01 0.73 -4.92 117.46 112.38 3ml9 n PHE 473 Ca 0.12 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.20 3ml9 n PHE 473 Cb 0.47 -0.68 -0.06 0.00 -0.01 0.00 0.00 39.48 39.20 3ml9 n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ml9 s LEU 474 N -0.30 4.31 0.35 4.37 1.43 -1.26 0.49 118.68 128.08 3ml9 s LEU 474 Ca 0.00 0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 3ml9 s LEU 474 Cb 0.00 -2.62 -0.12 0.00 0.03 0.00 0.00 46.19 43.48 3ml9 s LEU 474 CO 0.00 0.08 1.25 -0.11 0.23 0.00 0.00 176.35 177.80 3ml9 n LEU 475 N 3.29 3.39 -4.73 1.79 7.94 0.07 -2.00 117.00 126.76 3ml9 n LEU 475 Ca -0.09 1.19 -0.38 0.00 -1.11 0.00 0.00 56.01 55.62 3ml9 n LEU 475 Cb 0.52 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 3ml9 n LEU 475 CO 0.41 -0.63 0.14 -0.60 -1.11 0.00 0.00 177.39 175.60 3ml9 s ARG 476 N -1.89 4.30 0.04 1.96 3.52 -0.44 -4.74 118.95 121.71 3ml9 s ARG 476 Ca 0.57 0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 56.55 3ml9 s ARG 476 Cb -0.57 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 3ml9 s ARG 476 CO 0.61 0.21 -0.04 -0.98 -0.81 0.00 0.00 175.30 174.29 3ml9 s ARG 477 N 0.49 0.53 0.00 5.12 1.70 -1.26 -4.82 118.95 120.70 3ml9 s ARG 477 Ca 0.24 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3ml9 s ARG 477 Cb -0.15 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 3ml9 s ARG 477 CO 0.09 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 3ml9 n GLY 478 N 0.71 -0.51 3.74 3.88 0.00 -0.80 -4.90 105.19 107.31 3ml9 n GLY 478 Ca -0.18 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 3ml9 n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml9 s GLU 479 N -0.27 4.70 -0.03 1.61 0.41 -1.26 -2.13 118.70 121.73 3ml9 s GLU 479 Ca 0.00 1.55 0.01 0.00 -0.41 0.00 0.00 54.97 56.13 3ml9 s GLU 479 Cb 0.00 -3.32 0.02 0.00 -1.78 0.00 0.00 34.13 29.05 3ml9 s GLU 479 CO 0.00 0.25 -0.04 0.71 -0.49 0.00 0.00 175.26 175.69 3ml9 s TYR 480 N -0.41 0.57 -0.13 1.61 1.51 -0.91 -5.03 117.35 114.56 3ml9 s TYR 480 Ca 0.46 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 3ml9 s TYR 480 Cb -0.26 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 3ml9 s TYR 480 CO 0.32 -0.13 -0.19 0.08 -1.11 0.00 0.00 175.55 174.53 3ml9 s VAL 481 N 0.67 1.82 -0.07 0.71 1.01 -1.26 -1.43 120.40 121.85 3ml9 s VAL 481 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3ml9 s VAL 481 Cb -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3ml9 s VAL 481 CO -0.00 0.50 -0.08 -0.76 0.00 0.00 0.00 175.10 174.76 3ml9 s LEU 482 N 0.95 1.36 0.05 3.92 1.43 -0.62 -4.99 118.68 120.78 3ml9 s LEU 482 Ca -0.05 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 3ml9 s LEU 482 Cb -0.15 -0.68 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 3ml9 s LEU 482 CO -0.03 -0.05 0.75 -1.00 0.23 0.00 0.00 176.35 176.26 3ml9 s HIS 483 N 1.08 3.74 0.25 0.29 3.76 -1.26 -1.78 115.29 121.37 3ml9 s HIS 483 Ca -0.08 1.46 0.07 0.00 -0.15 0.00 0.00 55.06 56.37 3ml9 s HIS 483 Cb -0.14 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 3ml9 s HIS 483 CO -0.01 0.29 0.17 -1.64 -0.85 0.00 0.00 174.74 172.70 3ml9 s MET 484 N -0.12 2.85 0.22 1.40 1.00 -0.11 -1.49 119.30 123.04 3ml9 s MET 484 Ca 0.38 -1.09 -0.10 0.00 0.00 0.00 0.00 55.69 54.87 3ml9 s MET 484 Cb -0.20 -2.52 -0.07 0.00 0.00 0.00 0.00 34.83 32.04 3ml9 s MET 484 CO 0.23 0.40 0.55 -1.58 0.00 0.00 0.00 175.02 174.61 3ml9 s TRP 485 N -2.15 3.45 0.50 -0.03 0.52 -0.19 -4.49 118.94 116.55 3ml9 s TRP 485 Ca 0.33 0.90 0.04 0.00 0.02 0.00 0.00 56.10 57.39 3ml9 s TRP 485 Cb -0.08 -2.28 0.02 0.00 -1.15 0.00 0.00 33.47 29.99 3ml9 s TRP 485 CO 0.24 0.29 0.69 -1.14 0.02 0.00 0.00 176.95 177.05 3ml9 s GLN 486 N -2.69 2.66 -0.16 4.98 0.74 -1.26 -1.84 119.66 122.09 3ml9 s GLN 486 Ca 0.46 -0.97 0.01 0.00 0.05 0.00 0.00 55.36 54.90 3ml9 s GLN 486 Cb -0.12 -2.60 0.00 0.00 1.10 0.00 0.00 33.01 31.40 3ml9 s GLN 486 CO 0.21 -0.53 -0.17 0.42 -0.55 0.00 0.00 175.29 174.67 3ml9 s ILE 487 N -2.59 2.49 0.42 -2.34 -1.09 -1.06 -4.89 121.20 112.14 3ml9 s ILE 487 Ca 0.56 -0.82 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 3ml9 s ILE 487 Cb -0.10 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.74 3ml9 s ILE 487 CO 0.36 0.52 0.55 -0.94 -1.23 0.00 0.00 174.94 174.20 3ml9 s SER 488 N 0.93 5.63 0.21 3.58 1.04 -1.26 -4.99 113.70 118.83 3ml9 s SER 488 Ca -0.03 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3ml9 s SER 488 Cb -0.15 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.29 3ml9 s SER 488 CO -0.03 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3ml9 n GLY 489 N -1.82 1.88 0.48 7.32 0.00 -1.26 -5.10 105.19 106.69 3ml9 n GLY 489 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ml9 n GLY 489 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ml9 n SER 496 N 7.40 -0.79 -3.79 1.61 2.88 -1.25 -5.24 113.62 114.44 3ml9 n SER 496 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3ml9 n SER 496 Cb 0.00 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.91 3ml9 n SER 496 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3ml9 s PHE 497 N 0.00 -0.01 0.45 0.66 2.99 -1.26 -4.79 117.98 116.01 3ml9 s PHE 497 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 56.93 57.17 3ml9 s PHE 497 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 43.02 42.86 3ml9 s PHE 497 CO 0.00 -0.08 0.41 0.54 -0.00 0.00 0.00 175.22 176.08 3ml9 s ASN 498 N 0.85 4.97 0.41 1.36 4.22 -1.26 -4.83 114.94 120.66 3ml9 s ASN 498 Ca -0.07 -0.84 0.18 0.00 -2.14 0.00 0.00 52.86 49.99 3ml9 s ASN 498 Cb -0.10 -0.34 0.88 0.00 1.28 0.00 0.00 41.25 42.97 3ml9 s ASN 498 CO -0.03 -0.78 1.86 0.00 -2.04 0.00 0.00 177.10 176.11 3ml9 h ALA 499 N 0.93 1.25 -0.54 3.54 0.00 -1.66 -1.82 119.26 120.97 3ml9 h ALA 499 Ca -0.40 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.36 3ml9 h ALA 499 Cb 1.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3ml9 h ALA 499 CO 0.56 0.39 0.37 -0.44 0.00 0.00 0.00 179.25 180.14 3ml9 h ASP 500 N 0.00 0.14 0.26 0.00 3.32 -1.95 -1.25 116.42 116.94 3ml9 h ASP 500 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ml9 h ASP 500 Cb 0.65 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3ml9 h ASP 500 CO 0.04 0.08 0.00 0.29 -1.72 0.00 0.00 179.24 177.93 3ml9 n LYS 501 N -4.43 0.13 0.00 3.56 4.76 -0.68 -2.82 118.16 118.68 3ml9 n LYS 501 Ca 0.09 0.53 0.11 0.00 -2.87 0.00 0.00 58.31 56.17 3ml9 n LYS 501 Cb 0.50 -1.84 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 3ml9 n LYS 501 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ml9 n LEU 502 N -2.10 2.32 -4.78 -0.35 4.77 -0.47 -4.95 117.00 111.44 3ml9 n LEU 502 Ca 0.00 -0.86 -0.36 0.00 -0.03 0.00 0.00 56.01 54.75 3ml9 n LEU 502 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3ml9 n LEU 502 CO 0.12 0.41 0.78 0.28 -1.33 0.00 0.00 177.39 177.65 3ml9 s THR 503 N -2.11 3.41 -0.73 -5.08 -1.32 -1.13 -4.92 115.64 103.76 3ml9 s THR 503 Ca 0.21 1.03 0.25 0.00 -1.21 0.00 0.00 61.69 61.96 3ml9 s THR 503 Cb 0.17 -3.50 0.13 0.00 -1.51 0.00 0.00 72.50 67.79 3ml9 s THR 503 CO 0.42 -0.04 1.52 -1.54 -2.21 0.00 0.00 174.62 172.76 3ml9 n SER 504 N -0.46 0.67 -4.76 8.08 3.41 -1.26 -4.22 113.62 115.08 3ml9 n SER 504 Ca 0.07 0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 58.53 3ml9 n SER 504 Cb 0.49 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3ml9 n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ml9 s ALA 505 N -3.12 3.56 0.24 7.33 0.00 -1.26 -4.80 121.76 123.71 3ml9 s ALA 505 Ca 0.09 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 3ml9 s ALA 505 Cb 0.14 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3ml9 s ALA 505 CO 0.67 -0.73 0.51 0.95 0.00 0.00 0.00 175.76 177.16 3ml9 s THR 506 N -0.63 5.04 0.23 0.00 -4.23 -1.26 -4.82 115.64 109.97 3ml9 s THR 506 Ca 0.54 0.13 -0.32 0.00 -1.18 0.00 0.00 61.69 60.86 3ml9 s THR 506 Cb -0.41 -3.68 -0.12 0.00 1.34 0.00 0.00 72.50 69.62 3ml9 s THR 506 CO 0.50 -0.19 1.69 -3.20 -0.54 0.00 0.00 174.62 172.88 3ml9 n ASN 507 N -0.54 3.94 0.08 3.99 2.85 -0.56 -4.89 115.26 120.14 3ml9 n ASN 507 Ca -0.01 1.09 -0.11 0.00 -0.11 0.00 0.00 54.58 55.43 3ml9 n ASN 507 Cb 0.53 -1.58 -0.04 0.00 1.24 0.00 0.00 39.78 39.93 3ml9 n ASN 507 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ml9 h PRO 508 N 6.21 0.27 -6.55 1.20 0.13 -1.91 -3.43 132.00 127.92 3ml9 h PRO 508 Ca -0.44 -0.31 -0.56 0.00 -0.87 0.00 0.00 66.00 63.81 3ml9 h PRO 508 Cb 1.21 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 3ml9 h PRO 508 CO 0.91 1.04 1.05 0.34 -0.23 0.00 0.00 178.00 181.11 3ml9 s ASP 509 N -7.00 6.35 -0.22 1.44 2.15 -1.26 -4.87 116.67 113.26 3ml9 s ASP 509 Ca -0.04 0.66 -0.03 0.00 0.43 0.00 0.00 52.55 53.58 3ml9 s ASP 509 Cb 0.09 -2.54 -0.19 0.00 -0.30 0.00 0.00 42.92 39.98 3ml9 s ASP 509 CO 0.85 -1.45 -0.08 0.29 -0.17 0.00 0.00 175.17 174.61 3ml9 n LYS 510 N 8.14 0.67 -0.08 4.34 5.02 -1.26 -3.44 118.16 131.55 3ml9 n LYS 510 Ca 0.15 0.20 0.26 0.00 -2.02 0.00 0.00 58.31 56.90 3ml9 n LYS 510 Cb 0.48 -1.57 0.71 0.00 -0.02 0.00 0.00 35.03 34.63 3ml9 n LYS 510 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3ml9 h GLU 511 N -0.11 0.00 0.00 1.97 5.08 -2.00 -2.84 114.58 116.68 3ml9 h GLU 511 Ca -0.54 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.59 3ml9 h GLU 511 Cb 1.89 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 3ml9 h GLU 511 CO -0.08 0.00 -1.86 0.09 -1.00 0.00 0.00 179.01 176.16 3ml9 n ASN 512 N -3.92 2.41 -4.73 1.42 3.02 -1.26 -4.73 115.26 107.47 3ml9 n ASN 512 Ca 0.15 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3ml9 n ASN 512 Cb 0.89 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 3ml9 n ASN 512 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ml9 s SER 513 N -5.01 7.46 0.50 6.41 1.04 -1.07 -4.66 113.70 118.37 3ml9 s SER 513 Ca -0.14 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 57.85 3ml9 s SER 513 Cb 0.05 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.48 3ml9 s SER 513 CO 0.43 -0.07 0.44 0.80 0.98 0.00 0.00 173.24 175.82 3ml9 n MET 514 N 2.84 0.46 -4.05 4.02 1.56 -1.26 -4.72 117.12 115.97 3ml9 n MET 514 Ca 0.02 0.18 -0.13 0.00 -0.27 0.00 0.00 57.70 57.50 3ml9 n MET 514 Cb 0.49 -1.53 -0.12 0.00 2.15 0.00 0.00 33.22 34.21 3ml9 n MET 514 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3ml9 s SER 515 N -1.06 0.65 0.13 6.12 0.15 -0.56 -0.94 113.70 118.19 3ml9 s SER 515 Ca 0.65 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.94 3ml9 s SER 515 Cb -0.51 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 3ml9 s SER 515 CO 0.57 -0.17 -0.17 -0.51 1.20 0.00 0.00 173.24 174.17 3ml9 s ILE 516 N -1.11 1.55 -0.04 6.45 2.07 -0.73 -1.96 121.20 127.42 3ml9 s ILE 516 Ca -0.09 -1.73 0.01 0.00 -1.41 0.00 0.00 60.65 57.43 3ml9 s ILE 516 Cb -0.08 -1.62 0.02 0.00 0.13 0.00 0.00 42.46 40.92 3ml9 s ILE 516 CO 0.00 -0.31 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.25 3ml9 s SER 517 N -2.40 0.81 0.14 4.50 0.01 -0.28 -1.58 113.70 114.91 3ml9 s SER 517 Ca 0.10 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.25 3ml9 s SER 517 Cb -0.06 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 3ml9 s SER 517 CO 0.04 -0.07 0.05 0.27 0.41 0.00 0.00 173.24 173.95 3ml9 s ILE 518 N 0.94 0.18 -0.04 1.44 -4.36 -0.51 -0.37 121.20 118.48 3ml9 s ILE 518 Ca -0.11 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 3ml9 s ILE 518 Cb -0.14 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.49 3ml9 s ILE 518 CO -0.00 -0.44 -0.07 -0.22 0.24 0.00 0.00 174.94 174.45 3ml9 s LEU 519 N -3.08 1.61 -0.17 0.37 2.96 0.05 -2.15 118.68 118.28 3ml9 s LEU 519 Ca 0.25 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3ml9 s LEU 519 Cb 0.07 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3ml9 s LEU 519 CO 0.03 0.02 0.02 -0.76 -1.32 0.00 0.00 176.35 174.33 3ml9 s LEU 520 N 0.50 3.59 0.66 -0.68 2.01 -0.91 -0.27 118.68 123.59 3ml9 s LEU 520 Ca -0.08 0.00 -0.18 0.00 0.01 0.00 0.00 54.13 53.89 3ml9 s LEU 520 Cb -0.11 -1.89 -0.15 0.00 0.01 0.00 0.00 46.19 44.05 3ml9 s LEU 520 CO 0.01 0.18 -0.32 0.47 1.01 0.00 0.00 176.35 177.70 3ml9 n ASP 521 N 3.47 -4.34 -2.49 2.29 8.00 -1.26 -1.91 116.55 120.31 3ml9 n ASP 521 Ca -0.17 0.51 -0.01 0.00 0.71 0.00 0.00 54.79 55.83 3ml9 n ASP 521 Cb 0.52 -0.83 0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3ml9 n ASP 521 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3ml9 n ASN 522 N 2.75 0.28 -3.50 -2.24 2.85 -1.26 -4.34 115.26 109.80 3ml9 n ASN 522 Ca 0.05 -2.08 -0.32 0.00 -0.11 0.00 0.00 54.58 52.12 3ml9 n ASN 522 Cb 0.50 -0.01 0.03 0.00 1.24 0.00 0.00 39.78 41.55 3ml9 n ASN 522 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3ml9 n TYR 523 N -0.75 -4.50 0.00 1.20 4.02 -1.26 -4.76 117.16 111.10 3ml9 n TYR 523 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3ml9 n TYR 523 Cb 0.86 -1.26 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 3ml9 n TYR 523 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ml9 n HIS 525 N -1.30 0.00 -1.98 0.00 -0.00 -1.26 -5.13 115.22 105.54 3ml9 n HIS 525 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 3ml9 n HIS 525 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3ml9 n HIS 525 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3ml9 s PRO 526 N 0.00 4.14 -0.51 1.57 0.04 -1.26 -4.83 135.00 134.15 3ml9 s PRO 526 Ca 0.00 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 3ml9 s PRO 526 Cb 0.00 -4.01 0.13 0.00 0.04 0.00 0.00 34.50 30.67 3ml9 s PRO 526 CO 0.00 -0.90 0.35 0.42 0.04 0.00 0.00 177.00 176.91 3ml9 s ILE 527 N 4.20 3.90 -0.15 0.56 1.01 -1.25 0.96 121.20 130.42 3ml9 s ILE 527 Ca 0.75 -2.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.04 3ml9 s ILE 527 Cb -0.33 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3ml9 s ILE 527 CO 0.30 -0.79 0.37 0.00 0.00 0.00 0.00 174.94 174.82 3ml9 s ALA 528 N 0.87 3.54 0.05 9.38 0.00 0.03 -0.75 121.76 134.88 3ml9 s ALA 528 Ca 0.10 -0.38 -0.33 0.00 0.00 0.00 0.00 51.96 51.35 3ml9 s ALA 528 Cb -0.23 -2.52 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 3ml9 s ALA 528 CO -0.03 -0.00 1.79 -0.11 0.00 0.00 0.00 175.76 177.40 3ml9 n LEU 529 N 3.76 3.57 0.00 0.00 7.94 0.18 -2.01 117.00 130.43 3ml9 n LEU 529 Ca -0.10 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 3ml9 n LEU 529 Cb 0.52 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.02 3ml9 n LEU 529 CO 0.41 -0.04 0.00 -2.65 -1.11 0.00 0.00 177.39 174.00 3ml9 n PRO 530 N 5.46 0.00 0.00 1.96 -0.02 -1.26 -4.91 135.00 136.23 3ml9 n PRO 530 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3ml9 n PRO 530 Cb 0.32 -0.31 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 3ml9 n PRO 530 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ml9 n LYS 531 N 0.00 0.00 0.00 -0.52 4.81 -1.26 -5.09 118.16 116.10 3ml9 n LYS 531 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3ml9 n LYS 531 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3ml9 n LYS 531 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3ml9 n ARG 544 N 0.00 0.00 0.00 1.64 0.63 -1.26 -5.30 116.66 112.37 3ml9 n ARG 544 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3ml9 n ARG 544 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3ml9 n ARG 544 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ml9 n ALA 545 N 0.00 0.00 -1.91 5.13 0.00 -1.26 -5.09 120.51 117.38 3ml9 n ALA 545 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3ml9 n ALA 545 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3ml9 n ALA 545 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ml9 n GLU 546 N 0.00 -0.50 -3.56 0.00 4.07 -1.26 -4.98 120.64 114.41 3ml9 n GLU 546 Ca 0.00 -1.50 -0.17 0.00 -0.06 0.00 0.00 57.16 55.42 3ml9 n GLU 546 Cb 0.00 -0.74 -0.06 0.00 -0.06 0.00 0.00 31.44 30.58 3ml9 n GLU 546 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ml9 s MET 547 N -4.65 1.00 0.00 5.31 0.23 -1.26 -5.15 119.30 114.78 3ml9 s MET 547 Ca 0.47 0.23 0.00 0.00 -1.03 0.00 0.00 55.69 55.36 3ml9 s MET 547 Cb -0.02 0.47 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 3ml9 s MET 547 CO 0.33 -0.30 0.00 -2.30 -2.03 0.00 0.00 175.02 170.71 3ml9 n PRO 548 N 1.03 0.00 0.00 3.16 -0.02 -1.26 -4.87 135.00 133.04 3ml9 n PRO 548 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3ml9 n PRO 548 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3ml9 n PRO 548 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ml9 n ASN 549 N 0.00 0.00 -0.32 2.55 5.15 -1.26 -4.66 115.26 116.72 3ml9 n ASN 549 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 3ml9 n ASN 549 Cb 0.00 0.20 0.19 0.00 -0.53 0.00 0.00 39.78 39.64 3ml9 n ASN 549 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3ml9 h GLN 550 N 0.00 1.12 -0.03 1.20 5.75 -1.99 -2.14 115.11 119.02 3ml9 h GLN 550 Ca 0.00 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3ml9 h GLN 550 Cb 0.00 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.30 3ml9 h GLN 550 CO 0.00 0.74 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.85 3ml9 h LEU 551 N 1.15 0.06 -0.70 -2.39 3.38 -1.95 -1.48 115.31 113.38 3ml9 h LEU 551 Ca 0.37 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ml9 h LEU 551 Cb 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3ml9 h LEU 551 CO -0.12 0.40 0.38 -0.09 0.09 0.00 0.00 178.44 179.10 3ml9 h ARG 552 N -0.28 0.66 0.00 1.13 2.43 -1.80 0.29 114.38 116.80 3ml9 h ARG 552 Ca 0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3ml9 h ARG 552 Cb 0.37 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3ml9 h ARG 552 CO 0.00 0.43 -0.21 0.87 -1.51 0.00 0.00 179.97 179.56 3ml9 h LYS 553 N 0.68 0.00 0.03 0.20 1.79 -1.36 0.64 116.57 118.54 3ml9 h LYS 553 Ca 0.32 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.56 3ml9 h LYS 553 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3ml9 h LYS 553 CO -0.21 0.21 -1.00 0.37 -1.08 0.00 0.00 179.45 177.74 3ml9 h GLN 554 N 0.00 0.36 -0.24 3.15 4.15 0.32 -2.11 115.11 120.74 3ml9 h GLN 554 Ca -0.00 -0.43 -0.10 0.00 0.77 0.00 0.00 58.65 58.89 3ml9 h GLN 554 Cb 0.76 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 3ml9 h GLN 554 CO 0.03 1.11 -0.23 1.25 -1.93 0.00 0.00 178.83 179.06 3ml9 h LEU 555 N 0.19 0.62 -0.52 -2.39 5.85 -0.10 -2.57 115.31 116.38 3ml9 h LEU 555 Ca -0.09 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.18 3ml9 h LEU 555 Cb 1.65 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 3ml9 h LEU 555 CO 0.17 0.96 0.33 -0.33 -0.34 0.00 0.00 178.44 179.23 3ml9 h GLU 556 N 0.29 0.64 -0.61 1.25 5.08 -0.91 -0.82 114.58 119.50 3ml9 h GLU 556 Ca 0.04 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3ml9 h GLU 556 Cb 0.79 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3ml9 h GLU 556 CO 0.06 0.43 0.41 0.00 -1.00 0.00 0.00 179.01 178.90 3ml9 h ALA 557 N 1.21 1.85 -0.08 3.43 0.00 -1.33 -2.02 119.26 122.33 3ml9 h ALA 557 Ca 0.20 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 3ml9 h ALA 557 Cb -0.03 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ml9 h ALA 557 CO -0.07 0.04 -0.86 0.82 0.00 0.00 0.00 179.25 179.18 3ml9 h ILE 558 N 0.56 1.29 -0.44 0.00 2.04 -0.93 -2.94 117.51 117.09 3ml9 h ILE 558 Ca 0.27 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 3ml9 h ILE 558 Cb 0.34 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3ml9 h ILE 558 CO -0.08 0.65 0.08 0.40 0.00 0.00 0.00 178.15 179.20 3ml9 h ILE 559 N 0.41 1.20 -0.01 -0.67 2.04 -0.79 -3.26 117.51 116.44 3ml9 h ILE 559 Ca -0.09 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3ml9 h ILE 559 Cb 1.51 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3ml9 h ILE 559 CO 0.17 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.55 3ml9 h ALA 560 N 1.45 0.01 -1.28 1.87 0.00 -1.36 -3.45 119.26 116.51 3ml9 h ALA 560 Ca 0.14 -0.36 -0.38 0.00 0.00 0.00 0.00 54.91 54.31 3ml9 h ALA 560 Cb 0.28 -0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.19 3ml9 h ALA 560 CO 0.00 -0.11 -0.76 -2.37 0.00 0.00 0.00 179.25 176.01 3ml9 n THR 561 N -4.72 0.00 -1.89 0.00 5.66 -1.12 -4.93 114.28 107.29 3ml9 n THR 561 Ca -0.09 -0.32 -0.29 0.00 -3.05 0.00 0.00 64.05 60.30 3ml9 n THR 561 Cb 0.36 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.26 3ml9 n THR 561 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3ml9 s ASP 562 N -0.64 4.00 0.30 1.09 1.47 -1.26 -4.94 116.67 116.68 3ml9 s ASP 562 Ca 0.36 0.63 -0.02 0.00 1.18 0.00 0.00 52.55 54.70 3ml9 s ASP 562 Cb -0.31 -0.98 0.44 0.00 -0.34 0.00 0.00 42.92 41.73 3ml9 s ASP 562 CO 0.43 -2.21 1.96 -0.65 0.68 0.00 0.00 175.17 175.38 3ml9 h PRO 563 N -1.27 1.09 0.00 2.11 0.11 -1.92 -2.64 132.00 129.48 3ml9 h PRO 563 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ml9 h PRO 563 Cb 1.30 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ml9 h PRO 563 CO 0.57 0.72 -0.25 1.28 -0.21 0.00 0.00 178.00 180.12 3ml9 n LEU 564 N -4.42 0.54 -4.69 2.35 4.77 -1.26 -4.85 117.00 109.45 3ml9 n LEU 564 Ca 0.10 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 3ml9 n LEU 564 Cb 0.04 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3ml9 n LEU 564 CO 0.36 -0.06 1.19 0.21 -1.33 0.00 0.00 177.39 177.77 3ml9 s ASN 565 N -3.84 6.78 0.53 -1.43 2.47 -1.00 -4.96 114.94 113.48 3ml9 s ASN 565 Ca 0.10 2.21 -0.19 0.00 0.42 0.00 0.00 52.86 55.40 3ml9 s ASN 565 Cb 0.15 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 3ml9 s ASN 565 CO 0.63 -0.78 1.07 -2.84 -3.72 0.00 0.00 177.10 171.46 3ml9 s PRO 566 N 2.62 3.55 -0.24 0.43 0.02 -1.26 -4.90 135.00 135.22 3ml9 s PRO 566 Ca 0.67 1.41 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 3ml9 s PRO 566 Cb -0.33 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 3ml9 s PRO 566 CO 0.28 -0.65 0.14 -0.51 -0.33 0.00 0.00 177.00 175.93 3ml9 s LEU 567 N -3.80 3.96 0.82 -5.54 1.43 -1.26 -5.09 118.68 109.19 3ml9 s LEU 567 Ca 0.68 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 3ml9 s LEU 567 Cb -0.19 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3ml9 s LEU 567 CO 0.26 0.04 1.11 0.28 0.23 0.00 0.00 176.35 178.27 3ml9 s THR 568 N 1.18 2.88 0.31 5.49 -1.32 -1.26 -4.87 115.64 118.04 3ml9 s THR 568 Ca 0.07 0.29 0.07 0.00 -1.21 0.00 0.00 61.69 60.91 3ml9 s THR 568 Cb -0.14 -2.63 0.30 0.00 -1.51 0.00 0.00 72.50 68.52 3ml9 s THR 568 CO 0.05 -0.37 1.73 0.00 -2.21 0.00 0.00 174.62 173.82 3ml9 h ALA 569 N -1.33 1.65 -0.46 11.08 0.00 -1.99 -0.94 119.26 127.28 3ml9 h ALA 569 Ca -0.44 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ml9 h ALA 569 Cb 1.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3ml9 h ALA 569 CO 0.48 -0.25 0.23 1.49 0.00 0.00 0.00 179.25 181.20 3ml9 h GLU 570 N 0.56 0.66 -0.80 0.00 4.22 -2.00 -0.64 114.58 116.59 3ml9 h GLU 570 Ca 0.60 -0.09 -0.04 0.00 0.08 0.00 0.00 59.36 59.91 3ml9 h GLU 570 Cb 1.11 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3ml9 h GLU 570 CO -0.47 0.55 0.34 -0.44 -2.18 0.00 0.00 179.01 176.82 3ml9 h ASP 571 N 0.60 1.08 -0.31 1.04 3.32 -1.70 -2.78 116.42 117.67 3ml9 h ASP 571 Ca 0.16 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3ml9 h ASP 571 Cb 0.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3ml9 h ASP 571 CO -0.02 0.94 -0.33 0.11 -1.72 0.00 0.00 179.24 178.22 3ml9 h LYS 572 N 1.16 0.77 0.00 3.56 1.57 -0.60 -1.13 116.57 121.90 3ml9 h LYS 572 Ca 0.27 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3ml9 h LYS 572 Cb 0.18 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ml9 h LYS 572 CO -0.03 1.04 -0.28 0.93 -0.57 0.00 0.00 179.45 180.55 3ml9 h GLU 573 N 0.53 0.00 -0.07 3.15 5.08 -1.10 -0.92 114.58 121.26 3ml9 h GLU 573 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3ml9 h GLU 573 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.17 3ml9 h GLU 573 CO 0.08 0.28 -0.42 1.25 -1.00 0.00 0.00 179.01 179.20 3ml9 h LEU 574 N 0.00 0.48 -0.90 1.33 7.12 -1.17 -1.31 115.31 120.86 3ml9 h LEU 574 Ca -0.00 -0.67 -0.05 0.00 0.13 0.00 0.00 57.88 57.29 3ml9 h LEU 574 Cb 0.55 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 3ml9 h LEU 574 CO 0.04 1.08 0.24 -0.07 -0.13 0.00 0.00 178.44 179.60 3ml9 h LEU 575 N -0.07 0.97 0.03 2.25 -0.00 -0.87 -1.73 115.31 115.89 3ml9 h LEU 575 Ca -0.03 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 3ml9 h LEU 575 Cb 1.09 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 3ml9 h LEU 575 CO 0.09 0.89 -0.01 -0.25 -0.00 0.00 0.00 178.44 179.15 3ml9 h TRP 576 N 1.02 -0.04 -0.57 1.13 2.91 -1.16 -1.08 115.95 118.16 3ml9 h TRP 576 Ca 0.23 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.34 3ml9 h TRP 576 Cb 0.24 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.84 3ml9 h TRP 576 CO 0.02 0.51 0.19 1.25 -1.03 0.00 0.00 178.44 179.38 3ml9 h HIS 577 N -0.61 0.32 -0.84 2.65 2.76 -1.22 -1.43 115.15 116.78 3ml9 h HIS 577 Ca -0.00 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.66 3ml9 h HIS 577 Cb 0.56 -0.06 -0.25 0.00 1.55 0.00 0.00 27.41 29.22 3ml9 h HIS 577 CO 0.12 0.07 0.70 1.19 -1.30 0.00 0.00 177.93 178.70 3ml9 n PHE 578 N -5.03 2.69 -0.14 5.26 3.01 -0.65 -4.65 117.46 117.94 3ml9 n PHE 578 Ca 0.08 -2.46 -0.06 0.00 1.01 0.00 0.00 57.45 56.02 3ml9 n PHE 578 Cb 0.26 -1.20 0.03 0.00 -0.01 0.00 0.00 39.48 38.57 3ml9 n PHE 578 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3ml9 h ARG 579 N 1.60 0.44 -0.81 -1.08 0.11 -0.04 -0.34 114.38 114.27 3ml9 h ARG 579 Ca 0.52 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 60.63 3ml9 h ARG 579 Cb 1.25 -0.10 -0.06 0.00 1.11 0.00 0.00 29.97 32.18 3ml9 h ARG 579 CO 1.25 0.29 0.49 1.88 0.10 0.00 0.00 179.97 183.98 3ml9 h TYR 580 N 0.46 0.91 0.00 4.08 0.99 -1.84 0.66 116.97 122.22 3ml9 h TYR 580 Ca 0.19 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.95 3ml9 h TYR 580 Cb 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 37.52 3ml9 h TYR 580 CO -0.10 0.47 0.00 1.49 -0.00 0.00 0.00 178.16 180.02 3ml9 h GLU 581 N 0.91 0.00 0.00 4.88 4.57 -1.84 -2.45 114.58 120.64 3ml9 h GLU 581 Ca 0.35 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3ml9 h GLU 581 Cb 0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3ml9 h GLU 581 CO -0.16 0.00 -0.61 0.77 -1.18 0.00 0.00 179.01 177.83 3ml9 h SER 582 N 0.00 0.00 1.34 1.04 0.02 0.19 -3.32 113.55 112.82 3ml9 h SER 582 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ml9 h SER 582 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3ml9 h SER 582 CO 0.00 0.08 0.00 0.25 -1.14 0.00 0.00 176.83 176.02 3ml9 h LEU 583 N 0.00 0.00 -0.05 5.07 5.85 -0.20 -3.05 115.31 122.92 3ml9 h LEU 583 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ml9 h LEU 583 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3ml9 h LEU 583 CO 0.01 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.40 3ml9 n LYS 584 N -2.79 0.04 -4.03 1.25 5.02 -1.25 -4.56 118.16 111.86 3ml9 n LYS 584 Ca 0.03 0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 3ml9 n LYS 584 Cb 0.38 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 3ml9 n LYS 584 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ml9 s HIS 585 N -3.03 3.66 0.45 2.13 3.76 -1.15 -4.94 115.29 116.16 3ml9 s HIS 585 Ca 0.11 -2.88 0.14 0.00 -0.15 0.00 0.00 55.06 52.28 3ml9 s HIS 585 Cb 0.15 -2.74 1.07 0.00 1.11 0.00 0.00 32.58 32.16 3ml9 s HIS 585 CO 0.44 -0.94 2.01 -1.35 -0.85 0.00 0.00 174.74 174.06 3ml9 h PRO 586 N 7.64 0.33 -1.08 8.40 0.11 -1.84 0.72 132.00 146.28 3ml9 h PRO 586 Ca -0.07 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.34 3ml9 h PRO 586 Cb 1.02 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3ml9 h PRO 586 CO 0.51 0.22 0.92 -0.22 -0.21 0.00 0.00 178.00 179.22 3ml9 h LYS 587 N 0.34 0.00 -0.00 1.05 3.64 -1.93 -1.10 116.57 118.57 3ml9 h LYS 587 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3ml9 h LYS 587 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ml9 h LYS 587 CO -0.05 0.00 -0.46 0.00 -2.27 0.00 0.00 179.45 176.67 3ml9 n ALA 588 N -2.57 3.46 -0.18 5.00 0.00 0.25 -4.45 120.51 122.02 3ml9 n ALA 588 Ca 0.23 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3ml9 n ALA 588 Cb 1.27 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 19.61 3ml9 n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ml9 h TYR 589 N 0.18 0.99 -0.77 0.00 -1.99 -1.29 0.24 116.97 114.33 3ml9 h TYR 589 Ca 0.00 -0.16 0.07 0.00 2.00 0.00 0.00 58.73 60.63 3ml9 h TYR 589 Cb 0.50 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 3ml9 h TYR 589 CO 0.00 0.91 0.45 -1.35 -0.00 0.00 0.00 178.16 178.17 3ml9 h PRO 590 N 0.79 0.79 0.01 4.88 0.11 -1.79 0.39 132.00 137.19 3ml9 h PRO 590 Ca 0.15 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.01 3ml9 h PRO 590 Cb 0.50 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3ml9 h PRO 590 CO 0.02 0.52 -0.98 0.87 -0.21 0.00 0.00 178.00 178.23 3ml9 h LYS 591 N 0.82 0.05 0.03 1.05 1.57 -1.69 -2.74 116.57 115.65 3ml9 h LYS 591 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3ml9 h LYS 591 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ml9 h LYS 591 CO -0.19 0.98 -0.01 1.25 -0.57 0.00 0.00 179.45 180.91 3ml9 h LEU 592 N 0.02 -0.03 0.00 2.94 5.85 -0.09 -2.53 115.31 121.47 3ml9 h LEU 592 Ca -0.03 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ml9 h LEU 592 Cb 1.70 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3ml9 h LEU 592 CO 0.13 0.43 0.00 0.49 -0.34 0.00 0.00 178.44 179.16 3ml9 n PHE 593 N -4.89 0.00 1.12 1.25 3.01 0.09 -0.74 117.46 117.30 3ml9 n PHE 593 Ca -0.08 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.50 3ml9 n PHE 593 Cb 0.24 -0.27 0.17 0.00 -0.01 0.00 0.00 39.48 39.61 3ml9 n PHE 593 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ml9 n SER 594 N -1.27 1.96 -0.66 4.37 7.64 -1.03 -4.00 113.62 120.62 3ml9 n SER 594 Ca 0.08 -1.48 0.11 0.00 1.01 0.00 0.00 58.87 58.59 3ml9 n SER 594 Cb 0.13 0.23 0.36 0.00 -1.01 0.00 0.00 64.21 63.92 3ml9 n SER 594 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3ml9 n SER 595 N 0.17 2.01 -4.70 6.43 7.64 0.08 -4.91 113.62 120.34 3ml9 n SER 595 Ca 0.12 -1.74 -0.39 0.00 1.01 0.00 0.00 58.87 57.87 3ml9 n SER 595 Cb 0.46 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 3ml9 n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ml9 s VAL 596 N -1.79 5.06 -0.74 0.44 1.01 -1.24 -4.87 120.40 118.27 3ml9 s VAL 596 Ca 0.34 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 3ml9 s VAL 596 Cb 0.19 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.64 3ml9 s VAL 596 CO 0.29 0.23 1.19 -0.54 0.00 0.00 0.00 175.10 176.27 3ml9 s LYS 597 N 1.07 3.20 0.31 2.72 1.02 -1.26 -4.85 119.74 121.95 3ml9 s LYS 597 Ca 0.33 -0.51 0.26 0.00 0.02 0.00 0.00 55.97 56.07 3ml9 s LYS 597 Cb -0.17 -4.28 0.91 0.00 -0.52 0.00 0.00 37.83 33.77 3ml9 s LYS 597 CO 0.14 -2.05 1.76 -1.49 -0.92 0.00 0.00 175.35 172.80 3ml9 h TRP 598 N 9.85 0.00 0.00 3.18 4.06 -1.96 -2.89 115.95 128.19 3ml9 h TRP 598 Ca -0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.71 3ml9 h TRP 598 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3ml9 h TRP 598 CO 1.09 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 176.38 3ml9 n GLY 599 N 0.58 -0.55 2.85 1.49 0.00 -1.26 -4.30 105.19 104.00 3ml9 n GLY 599 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3ml9 n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ml9 s GLN 600 N -1.86 1.18 0.27 1.61 -0.21 -1.09 -4.74 119.66 114.82 3ml9 s GLN 600 Ca 0.00 -0.75 -0.10 0.00 0.02 0.00 0.00 55.36 54.53 3ml9 s GLN 600 Cb 0.00 -2.37 0.41 0.00 1.00 0.00 0.00 33.01 32.05 3ml9 s GLN 600 CO 0.00 -0.63 1.56 0.37 -2.12 0.00 0.00 175.29 174.47 3ml9 h GLN 601 N 8.08 -0.00 -0.30 2.91 5.75 -1.81 -1.20 115.11 128.54 3ml9 h GLN 601 Ca -0.17 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.21 3ml9 h GLN 601 Cb 1.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3ml9 h GLN 601 CO 0.38 -0.00 -0.32 1.49 -2.65 0.00 0.00 178.83 177.73 3ml9 h GLU 602 N -0.00 0.65 0.02 1.69 4.22 -1.95 0.37 114.58 119.58 3ml9 h GLU 602 Ca 0.45 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 3ml9 h GLU 602 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3ml9 h GLU 602 CO -1.00 0.88 -0.01 0.82 -2.18 0.00 0.00 179.01 177.52 3ml9 h ILE 603 N 0.55 1.13 -0.82 2.32 1.08 -1.56 -0.72 117.51 119.48 3ml9 h ILE 603 Ca 0.06 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 3ml9 h ILE 603 Cb 0.82 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 3ml9 h ILE 603 CO 0.07 0.12 0.54 0.58 -0.69 0.00 0.00 178.15 178.77 3ml9 h VAL 604 N -0.24 1.08 -0.68 1.67 2.07 -1.01 0.55 116.25 119.69 3ml9 h VAL 604 Ca -0.00 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3ml9 h VAL 604 Cb 0.22 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3ml9 h VAL 604 CO 0.00 0.17 0.20 0.00 0.02 0.00 0.00 177.57 177.97 3ml9 h ALA 605 N 1.54 1.07 -0.07 1.67 0.00 -0.72 -0.37 119.26 122.37 3ml9 h ALA 605 Ca 0.34 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ml9 h ALA 605 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ml9 h ALA 605 CO -0.11 0.63 -0.66 0.87 0.00 0.00 0.00 179.25 179.97 3ml9 h LYS 606 N 1.01 0.31 -0.19 0.00 1.57 0.61 -2.75 116.57 117.13 3ml9 h LYS 606 Ca 0.22 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3ml9 h LYS 606 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3ml9 h LYS 606 CO -0.01 0.86 -0.18 1.15 -0.57 0.00 0.00 179.45 180.70 3ml9 h THR 607 N 0.22 1.22 -0.15 -0.16 2.02 0.66 -1.48 112.91 115.24 3ml9 h THR 607 Ca -0.02 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 3ml9 h THR 607 Cb 1.20 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3ml9 h THR 607 CO 0.11 0.32 -0.47 1.88 0.37 0.00 0.00 175.52 177.73 3ml9 h TYR 608 N 0.30 0.45 -0.82 3.16 0.99 -0.97 -2.01 116.97 118.07 3ml9 h TYR 608 Ca 0.06 -0.14 0.04 0.00 2.00 0.00 0.00 58.73 60.68 3ml9 h TYR 608 Cb 0.50 -0.09 -0.05 0.00 1.00 0.00 0.00 36.73 38.08 3ml9 h TYR 608 CO 0.01 0.77 0.53 1.96 -0.00 0.00 0.00 178.16 181.43 3ml9 h GLN 609 N 0.30 0.99 -0.76 4.88 4.20 -1.10 -2.14 115.11 121.48 3ml9 h GLN 609 Ca 0.02 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3ml9 h GLN 609 Cb 0.94 -0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 3ml9 h GLN 609 CO 0.08 0.65 0.38 -0.07 -0.67 0.00 0.00 178.83 179.21 3ml9 h LEU 610 N 1.02 0.48 -0.39 1.46 3.38 -0.81 -1.62 115.31 118.83 3ml9 h LEU 610 Ca 0.33 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3ml9 h LEU 610 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ml9 h LEU 610 CO -0.12 0.25 0.00 0.18 0.09 0.00 0.00 178.44 178.84 3ml9 n LEU 611 N -4.87 0.54 0.16 1.67 4.77 -0.80 -2.32 117.00 116.16 3ml9 n LEU 611 Ca 0.13 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3ml9 n LEU 611 Cb 0.33 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3ml9 n LEU 611 CO 0.23 -0.39 0.46 0.00 -1.33 0.00 0.00 177.39 176.37 3ml9 h ALA 612 N 2.41 0.77 -1.05 -1.18 0.00 -0.95 -3.33 119.26 115.93 3ml9 h ALA 612 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 3ml9 h ALA 612 Cb 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.92 3ml9 h ALA 612 CO 0.00 0.00 0.64 0.54 0.00 0.00 0.00 179.25 180.43 3ml9 n ARG 613 N -2.84 2.89 -0.11 0.00 5.12 -0.98 -4.77 116.66 115.97 3ml9 n ARG 613 Ca 0.02 -3.63 0.11 0.00 -1.93 0.00 0.00 57.85 52.42 3ml9 n ARG 613 Cb 0.53 -2.27 0.32 0.00 -1.16 0.00 0.00 32.46 29.88 3ml9 n ARG 613 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3ml9 n ARG 614 N -0.65 1.96 -0.28 5.56 0.63 -1.25 -4.66 116.66 117.96 3ml9 n ARG 614 Ca 0.54 -1.44 0.10 0.00 -0.92 0.00 0.00 57.85 56.13 3ml9 n ARG 614 Cb 0.46 -1.43 0.25 0.00 0.45 0.00 0.00 32.46 32.19 3ml9 n ARG 614 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3ml9 h GLU 615 N 2.91 0.35 -0.62 -0.14 4.11 -1.92 -1.40 114.58 117.87 3ml9 h GLU 615 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 3ml9 h GLU 615 Cb 0.64 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3ml9 h GLU 615 CO 0.00 0.23 0.37 0.28 0.07 0.00 0.00 179.01 179.97 3ml9 h VAL 616 N 0.37 1.18 0.71 -1.06 2.07 -1.86 -0.92 116.25 116.75 3ml9 h VAL 616 Ca 0.50 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3ml9 h VAL 616 Cb 0.89 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3ml9 h VAL 616 CO -0.51 0.19 -0.40 -0.25 0.02 0.00 0.00 177.57 176.62 3ml9 h TRP 617 N 0.84 -1.04 -1.23 1.57 2.91 -1.54 -2.03 115.95 115.43 3ml9 h TRP 617 Ca 0.22 -0.02 0.36 0.00 1.13 0.00 0.00 58.89 60.59 3ml9 h TRP 617 Cb -0.01 0.36 -0.09 0.00 -0.51 0.00 0.00 29.16 28.90 3ml9 h TRP 617 CO -0.02 -0.61 0.83 -0.44 -1.03 0.00 0.00 178.44 177.16 3ml9 h ASP 618 N -1.03 0.24 0.40 2.65 3.32 -1.00 -2.64 116.42 118.37 3ml9 h ASP 618 Ca -0.09 0.07 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 3ml9 h ASP 618 Cb 0.81 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 3ml9 h ASP 618 CO 0.12 -0.02 -1.83 0.00 -1.72 0.00 0.00 179.24 175.79 3ml9 n GLN 619 N -4.49 0.64 -1.90 3.56 6.02 -0.39 -4.97 117.38 115.87 3ml9 n GLN 619 Ca 0.30 0.22 -0.33 0.00 -0.01 0.00 0.00 57.00 57.18 3ml9 n GLN 619 Cb 1.22 -1.74 0.03 0.00 1.02 0.00 0.00 30.24 30.78 3ml9 n GLN 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ml9 s SER 620 N -5.92 5.37 0.35 1.08 1.04 -0.79 -4.94 113.70 109.89 3ml9 s SER 620 Ca -0.06 1.97 -0.28 0.00 0.48 0.00 0.00 55.95 58.06 3ml9 s SER 620 Cb 0.08 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.53 3ml9 s SER 620 CO 0.83 -1.45 1.38 0.00 0.98 0.00 0.00 173.24 174.97 3ml9 n ALA 621 N -2.18 1.72 -1.64 5.32 0.00 -1.26 -4.86 120.51 117.61 3ml9 n ALA 621 Ca 0.10 0.36 -0.49 0.00 0.00 0.00 0.00 53.44 53.41 3ml9 n ALA 621 Cb 0.52 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3ml9 n ALA 621 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ml9 n LEU 622 N 0.77 2.55 -4.00 0.00 7.94 -1.26 -4.97 117.00 118.02 3ml9 n LEU 622 Ca 0.04 1.09 -0.31 0.00 -1.11 0.00 0.00 56.01 55.72 3ml9 n LEU 622 Cb 0.37 -1.33 -0.15 0.00 0.53 0.00 0.00 43.42 42.84 3ml9 n LEU 622 CO 0.63 -0.57 -0.37 -0.62 -1.11 0.00 0.00 177.39 175.35 3ml9 s ASP 623 N 0.90 4.55 0.32 1.96 -1.08 -1.26 -5.00 116.67 117.06 3ml9 s ASP 623 Ca 0.82 -1.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 3ml9 s ASP 623 Cb -0.79 -1.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.68 3ml9 s ASP 623 CO 0.42 -0.32 1.95 0.58 0.52 0.00 0.00 175.17 178.32 3ml9 h VAL 624 N 6.65 1.19 -0.59 1.11 2.07 -1.98 0.77 116.25 125.48 3ml9 h VAL 624 Ca -0.10 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.08 3ml9 h VAL 624 Cb 1.03 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 3ml9 h VAL 624 CO 0.49 0.21 0.13 1.23 0.02 0.00 0.00 177.57 179.65 3ml9 h GLY 625 N 0.96 0.75 0.93 2.17 0.00 -1.91 0.16 103.07 106.13 3ml9 h GLY 625 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3ml9 h GLY 625 CO -0.04 -0.10 -0.08 1.41 0.00 0.00 0.00 176.54 177.72 3ml9 h LEU 626 N 0.26 0.67 -0.54 3.11 3.38 -1.66 -3.15 115.31 117.37 3ml9 h LEU 626 Ca 0.31 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3ml9 h LEU 626 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3ml9 h LEU 626 CO -0.39 0.88 0.18 0.74 0.09 0.00 0.00 178.44 179.94 3ml9 h THR 627 N 0.45 1.23 -0.06 0.22 2.02 -0.20 -2.49 112.91 114.09 3ml9 h THR 627 Ca 0.09 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 3ml9 h THR 627 Cb 0.58 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3ml9 h THR 627 CO 0.03 0.29 -0.19 0.24 0.37 0.00 0.00 175.52 176.27 3ml9 h MET 628 N 0.75 0.10 -0.52 6.66 2.86 -0.76 -3.17 114.93 120.85 3ml9 h MET 628 Ca 0.18 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 3ml9 h MET 628 Cb 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3ml9 h MET 628 CO -0.01 0.29 -0.02 1.96 1.06 0.00 0.00 176.91 180.20 3ml9 h GLN 629 N 0.10 0.93 0.00 1.72 4.20 -1.40 -1.31 115.11 119.34 3ml9 h GLN 629 Ca 0.02 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3ml9 h GLN 629 Cb 0.39 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ml9 h GLN 629 CO 0.03 0.96 0.00 -0.07 -0.67 0.00 0.00 178.83 179.07 3ml9 h LEU 630 N 0.79 0.00 -1.47 1.46 3.38 -1.52 -2.78 115.31 115.16 3ml9 h LEU 630 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ml9 h LEU 630 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ml9 h LEU 630 CO 0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.74 3ml9 n LEU 631 N -3.08 2.26 0.00 1.67 4.77 -0.52 -4.58 117.00 117.52 3ml9 n LEU 631 Ca -0.02 -0.82 -0.02 0.00 -0.03 0.00 0.00 56.01 55.12 3ml9 n LEU 631 Cb 0.16 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3ml9 n LEU 631 CO 0.23 0.41 0.06 -0.90 -1.33 0.00 0.00 177.39 175.86 3ml9 n ASP 632 N 0.75 0.02 0.00 -1.43 5.68 -1.05 -4.80 116.55 115.72 3ml9 n ASP 632 Ca 0.17 -1.04 0.14 0.00 -0.50 0.00 0.00 54.79 53.56 3ml9 n ASP 632 Cb 0.46 -0.07 0.81 0.00 -1.14 0.00 0.00 41.12 41.18 3ml9 n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ml9 n ASN 634 N -1.02 1.64 -3.87 0.00 4.13 -1.26 -4.06 115.26 110.83 3ml9 n ASN 634 Ca 0.20 -1.39 -0.28 0.00 1.68 0.00 0.00 54.58 54.79 3ml9 n ASN 634 Cb 0.10 0.09 -0.16 0.00 -1.54 0.00 0.00 39.78 38.27 3ml9 n ASN 634 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ml9 s PHE 635 N -2.21 1.57 -0.06 3.10 0.40 -1.18 -4.75 117.98 114.85 3ml9 s PHE 635 Ca 0.30 -1.01 0.18 0.00 -0.60 0.00 0.00 56.93 55.80 3ml9 s PHE 635 Cb 0.20 -1.25 -0.28 0.00 0.51 0.00 0.00 43.02 42.20 3ml9 s PHE 635 CO 0.41 -0.60 0.42 0.43 0.70 0.00 0.00 175.22 176.58 3ml9 n SER 636 N 4.91 0.84 -4.71 1.36 7.64 -1.26 -4.88 113.62 117.52 3ml9 n SER 636 Ca -0.11 -0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.30 3ml9 n SER 636 Cb 0.48 1.79 -0.03 0.00 -1.01 0.00 0.00 64.21 65.44 3ml9 n SER 636 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ml9 s ASP 637 N -4.03 7.00 0.40 6.43 -1.08 -1.26 -4.73 116.67 119.40 3ml9 s ASP 637 Ca -0.06 2.07 0.23 0.00 -0.52 0.00 0.00 52.55 54.27 3ml9 s ASP 637 Cb 0.12 -2.58 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 3ml9 s ASP 637 CO 0.75 -0.55 1.61 1.05 0.52 0.00 0.00 175.17 178.56 3ml9 h GLU 638 N 6.98 0.00 -0.10 4.34 4.11 -1.91 -2.39 114.58 125.61 3ml9 h GLU 638 Ca -0.41 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.85 3ml9 h GLU 638 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3ml9 h GLU 638 CO 0.84 0.00 -0.68 -0.91 0.07 0.00 0.00 179.01 178.33 3ml9 h ASN 639 N 0.00 0.50 -0.39 3.06 2.35 -1.99 0.44 115.58 119.56 3ml9 h ASN 639 Ca 0.00 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.38 3ml9 h ASN 639 Cb 0.96 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3ml9 h ASN 639 CO 0.00 1.03 -0.00 0.58 -1.65 0.00 0.00 177.43 177.39 3ml9 h VAL 640 N 0.31 1.26 -0.32 2.81 2.07 -1.91 -2.98 116.25 117.48 3ml9 h VAL 640 Ca -0.02 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 3ml9 h VAL 640 Cb 1.24 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3ml9 h VAL 640 CO 0.12 0.34 -0.25 0.03 0.02 0.00 0.00 177.57 177.83 3ml9 h ARG 641 N 0.50 0.64 -0.84 1.57 3.08 -1.27 -2.98 114.38 115.09 3ml9 h ARG 641 Ca 0.11 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3ml9 h ARG 641 Cb 0.48 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3ml9 h ARG 641 CO 0.02 0.83 0.55 0.00 -1.07 0.00 0.00 179.97 180.31 3ml9 h ALA 642 N 1.17 1.47 0.00 0.04 0.00 -0.05 -2.29 119.26 119.59 3ml9 h ALA 642 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ml9 h ALA 642 Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ml9 h ALA 642 CO 0.06 0.46 -0.18 -0.84 0.00 0.00 0.00 179.25 178.74 3ml9 h ILE 643 N 1.06 0.54 -0.13 0.00 3.07 -1.37 0.27 117.51 120.96 3ml9 h ILE 643 Ca 0.33 -0.89 -0.06 0.00 1.55 0.00 0.00 64.86 65.80 3ml9 h ILE 643 Cb 0.00 1.60 -0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3ml9 h ILE 643 CO -0.09 0.18 -0.14 0.00 -1.05 0.00 0.00 178.15 177.05 3ml9 h ALA 644 N 1.82 0.19 -0.40 0.16 0.00 -1.47 -2.72 119.26 116.84 3ml9 h ALA 644 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ml9 h ALA 644 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ml9 h ALA 644 CO 0.02 0.06 0.24 0.28 0.00 0.00 0.00 179.25 179.86 3ml9 h VAL 645 N -0.07 1.11 -0.93 0.00 2.07 -0.97 0.32 116.25 117.78 3ml9 h VAL 645 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ml9 h VAL 645 Cb 0.67 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3ml9 h VAL 645 CO 0.03 0.12 0.60 1.56 0.02 0.00 0.00 177.57 179.90 3ml9 h GLN 646 N 0.55 1.23 0.00 1.57 4.20 -0.43 -1.88 115.11 120.34 3ml9 h GLN 646 Ca 0.14 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3ml9 h GLN 646 Cb -0.03 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 3ml9 h GLN 646 CO -0.03 0.83 -0.32 -0.22 -0.67 0.00 0.00 178.83 178.42 3ml9 h LYS 647 N 1.26 0.00 0.00 1.46 1.63 -0.63 -2.69 116.57 117.60 3ml9 h LYS 647 Ca 0.34 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 3ml9 h LYS 647 Cb -0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3ml9 h LYS 647 CO -0.07 0.32 -0.34 -0.07 -3.45 0.00 0.00 179.45 175.84 3ml9 h LEU 648 N 0.00 0.00 -1.80 5.20 3.38 -0.65 -3.21 115.31 118.23 3ml9 h LEU 648 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ml9 h LEU 648 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ml9 h LEU 648 CO 0.04 0.34 0.00 -0.33 0.09 0.00 0.00 178.44 178.59 3ml9 h GLU 649 N 0.00 0.00 -0.57 1.13 4.39 -1.16 -0.48 114.58 117.88 3ml9 h GLU 649 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ml9 h GLU 649 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3ml9 h GLU 649 CO 0.04 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 3ml9 n SER 650 N -2.47 3.55 -4.72 1.42 3.41 -1.21 -4.90 113.62 108.71 3ml9 n SER 650 Ca -0.02 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 3ml9 n SER 650 Cb 0.05 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3ml9 n SER 650 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ml9 s LEU 651 N -1.19 4.39 0.70 1.04 1.43 -0.19 -5.05 118.68 119.81 3ml9 s LEU 651 Ca 0.43 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.27 3ml9 s LEU 651 Cb 0.23 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.90 3ml9 s LEU 651 CO 0.31 -0.34 1.14 -1.83 0.23 0.00 0.00 176.35 175.86 3ml9 s GLU 652 N 0.83 2.47 0.21 1.70 -1.05 -1.26 -4.78 118.70 116.82 3ml9 s GLU 652 Ca 0.55 1.49 -0.20 0.00 -0.15 0.00 0.00 54.97 56.66 3ml9 s GLU 652 Cb -0.26 -1.90 0.17 0.00 -0.44 0.00 0.00 34.13 31.70 3ml9 s GLU 652 CO 0.29 -1.53 1.50 -0.25 0.95 0.00 0.00 175.26 176.23 3ml9 n ASP 653 N -2.69 -0.72 -0.28 0.83 8.00 -1.26 -1.31 116.55 119.13 3ml9 n ASP 653 Ca 0.11 1.70 0.07 0.00 0.71 0.00 0.00 54.79 57.38 3ml9 n ASP 653 Cb 0.52 -0.35 0.18 0.00 -0.02 0.00 0.00 41.12 41.44 3ml9 n ASP 653 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3ml9 h ASP 654 N 0.00 -0.39 -0.08 -2.24 3.58 -1.92 0.46 116.42 115.83 3ml9 h ASP 654 Ca 0.30 0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.83 3ml9 h ASP 654 Cb 0.54 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3ml9 h ASP 654 CO -0.95 -0.21 -0.37 0.44 -2.88 0.00 0.00 179.24 175.26 3ml9 h ASP 655 N 0.09 0.62 -0.70 2.28 3.32 -1.56 -2.85 116.42 117.62 3ml9 h ASP 655 Ca 0.45 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.28 3ml9 h ASP 655 Cb 0.81 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 3ml9 h ASP 655 CO -0.72 0.93 0.43 0.58 -1.72 0.00 0.00 179.24 178.73 3ml9 h VAL 656 N 0.49 1.05 -0.35 -1.35 2.07 -0.35 -2.24 116.25 115.58 3ml9 h VAL 656 Ca 0.05 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3ml9 h VAL 656 Cb 0.87 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ml9 h VAL 656 CO 0.07 0.15 0.08 -0.07 0.02 0.00 0.00 177.57 177.82 3ml9 h LEU 657 N 0.82 0.46 -1.12 2.57 3.38 -1.11 0.13 115.31 120.44 3ml9 h LEU 657 Ca 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3ml9 h LEU 657 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ml9 h LEU 657 CO -0.13 0.47 0.32 0.45 0.09 0.00 0.00 178.44 179.63 3ml9 h HIS 658 N 0.50 0.93 -0.10 1.13 3.86 -1.19 -3.26 115.15 117.01 3ml9 h HIS 658 Ca 0.12 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3ml9 h HIS 658 Cb 0.20 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.38 3ml9 h HIS 658 CO 0.01 0.68 0.00 0.66 0.86 0.00 0.00 177.93 180.14 3ml9 n TYR 659 N -4.34 0.12 -0.16 2.45 4.02 -0.83 -4.70 117.16 113.72 3ml9 n TYR 659 Ca 0.06 -0.10 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 3ml9 n TYR 659 Cb 0.13 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.50 3ml9 n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3ml9 h LEU 660 N 2.82 0.27 -0.87 7.72 5.85 -0.81 0.18 115.31 130.47 3ml9 h LEU 660 Ca 0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3ml9 h LEU 660 Cb 0.65 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3ml9 h LEU 660 CO 0.00 0.19 0.55 0.25 -0.34 0.00 0.00 178.44 179.09 3ml9 h LEU 661 N 0.42 0.90 0.00 2.25 5.85 -1.84 -1.08 115.31 121.81 3ml9 h LEU 661 Ca 0.22 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 3ml9 h LEU 661 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ml9 h LEU 661 CO -0.19 0.60 -1.00 1.56 -0.34 0.00 0.00 178.44 179.06 3ml9 h GLN 662 N 1.04 0.00 -0.47 1.25 4.20 -1.47 -2.38 115.11 117.28 3ml9 h GLN 662 Ca 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 3ml9 h GLN 662 Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3ml9 h GLN 662 CO -0.14 0.53 0.20 -0.07 -0.67 0.00 0.00 178.83 178.68 3ml9 h LEU 663 N 0.00 0.65 -1.06 1.46 3.38 -0.33 -0.32 115.31 119.08 3ml9 h LEU 663 Ca -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ml9 h LEU 663 Cb 1.59 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 3ml9 h LEU 663 CO 0.07 0.63 0.49 0.58 0.09 0.00 0.00 178.44 180.31 3ml9 h VAL 664 N 0.62 1.23 0.00 1.22 2.07 -1.24 -1.45 116.25 118.71 3ml9 h VAL 664 Ca 0.16 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 3ml9 h VAL 664 Cb 0.18 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3ml9 h VAL 664 CO -0.01 0.25 -0.41 1.56 0.02 0.00 0.00 177.57 178.97 3ml9 h GLN 665 N 1.16 0.00 0.00 1.57 1.08 -1.27 -2.44 115.11 115.20 3ml9 h GLN 665 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3ml9 h GLN 665 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3ml9 h GLN 665 CO -0.05 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.24 3ml9 h ALA 666 N 1.59 1.00 0.00 3.87 0.00 0.04 -1.97 119.26 123.79 3ml9 h ALA 666 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ml9 h ALA 666 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ml9 h ALA 666 CO 0.05 0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.52 3ml9 h VAL 667 N 0.00 0.35 0.00 0.00 2.07 -1.13 -1.50 116.25 116.04 3ml9 h VAL 667 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3ml9 h VAL 667 Cb 0.29 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3ml9 h VAL 667 CO 0.00 0.06 -0.04 0.11 0.02 0.00 0.00 177.57 177.72 3ml9 h LYS 668 N 0.00 0.00 0.00 1.57 1.57 -1.52 -2.93 116.57 115.26 3ml9 h LYS 668 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ml9 h LYS 668 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ml9 h LYS 668 CO 0.01 0.04 -0.55 1.19 -0.57 0.00 0.00 179.45 179.57 3ml9 n PHE 669 N -3.18 0.52 -1.96 -1.35 0.99 -0.57 -4.87 117.46 107.04 3ml9 n PHE 669 Ca -0.00 0.15 -0.42 0.00 -0.00 0.00 0.00 57.45 57.18 3ml9 n PHE 669 Cb 0.28 -0.63 -0.03 0.00 -1.00 0.00 0.00 39.48 38.09 3ml9 n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3ml9 s GLU 670 N -3.14 4.22 0.24 -1.08 0.41 -1.11 -4.87 118.70 113.37 3ml9 s GLU 670 Ca 0.07 2.33 -0.05 0.00 -0.41 0.00 0.00 54.97 56.90 3ml9 s GLU 670 Cb 0.14 -3.25 0.33 0.00 -1.78 0.00 0.00 34.13 29.57 3ml9 s GLU 670 CO 0.70 -0.61 1.86 -1.35 -0.49 0.00 0.00 175.26 175.37 3ml9 h PRO 671 N 7.09 0.97 -6.40 0.39 0.11 -1.89 -3.44 132.00 128.83 3ml9 h PRO 671 Ca -0.43 -0.06 -0.69 0.00 0.11 0.00 0.00 66.00 64.94 3ml9 h PRO 671 Cb 1.20 -0.22 -0.22 0.00 0.11 0.00 0.00 31.00 31.88 3ml9 h PRO 671 CO 0.91 0.64 -0.77 0.71 -0.21 0.00 0.00 178.00 179.29 3ml9 s TYR 672 N -6.07 2.69 0.26 0.65 1.51 -1.26 -4.90 117.35 110.23 3ml9 s TYR 672 Ca -0.13 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3ml9 s TYR 672 Cb 0.18 -1.57 0.52 0.00 -0.11 0.00 0.00 41.96 40.98 3ml9 s TYR 672 CO 0.79 0.24 1.65 0.45 -1.11 0.00 0.00 175.55 177.58 3ml9 h HIS 673 N 4.91 0.17 -3.68 2.71 3.86 -1.93 -3.36 115.15 117.83 3ml9 h HIS 673 Ca -0.47 0.05 -0.62 0.00 -1.16 0.00 0.00 60.37 58.16 3ml9 h HIS 673 Cb 1.16 0.05 -0.14 0.00 1.06 0.00 0.00 27.41 29.53 3ml9 h HIS 673 CO 0.52 -0.18 -0.36 0.34 0.86 0.00 0.00 177.93 179.11 3ml9 s ASP 674 N -5.18 6.20 0.13 2.45 -1.08 -1.26 -4.89 116.67 113.05 3ml9 s ASP 674 Ca -0.13 0.22 -0.10 0.00 -0.52 0.00 0.00 52.55 52.02 3ml9 s ASP 674 Cb 0.23 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 3ml9 s ASP 674 CO 0.76 -0.07 0.28 -0.94 0.52 0.00 0.00 175.17 175.72 3ml9 s SER 675 N 1.40 0.02 0.31 -0.34 1.04 -1.26 -5.03 113.70 109.83 3ml9 s SER 675 Ca 0.12 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3ml9 s SER 675 Cb -0.15 0.41 0.52 0.00 0.10 0.00 0.00 66.02 66.90 3ml9 s SER 675 CO 0.08 -0.84 1.95 0.00 0.98 0.00 0.00 173.24 175.42 3ml9 h ALA 676 N 2.58 1.49 -0.16 5.32 0.00 -1.95 -0.74 119.26 125.80 3ml9 h ALA 676 Ca -0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3ml9 h ALA 676 Cb 1.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ml9 h ALA 676 CO 0.50 0.43 -0.72 1.25 0.00 0.00 0.00 179.25 180.71 3ml9 h LEU 677 N 1.03 0.83 -0.35 0.00 5.85 -1.96 0.15 115.31 120.86 3ml9 h LEU 677 Ca 0.33 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3ml9 h LEU 677 Cb 0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3ml9 h LEU 677 CO -0.10 1.30 0.19 0.00 -0.34 0.00 0.00 178.44 179.50 3ml9 h ALA 678 N 0.69 0.45 0.09 1.25 0.00 -1.85 -1.77 119.26 118.12 3ml9 h ALA 678 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ml9 h ALA 678 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ml9 h ALA 678 CO 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 3ml9 h ARG 679 N 0.44 -0.12 -1.01 0.00 3.08 -0.93 -2.63 114.38 113.22 3ml9 h ARG 679 Ca 0.12 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.42 3ml9 h ARG 679 Cb 0.06 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.02 3ml9 h ARG 679 CO -0.02 0.09 0.62 0.35 -1.07 0.00 0.00 179.97 179.94 3ml9 h PHE 680 N -0.31 0.94 -0.26 3.04 3.57 -0.64 0.16 116.94 123.44 3ml9 h PHE 680 Ca -0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 3ml9 h PHE 680 Cb 0.26 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3ml9 h PHE 680 CO -0.01 0.11 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.86 3ml9 h LEU 681 N 0.58 0.67 -0.58 0.59 3.38 -1.15 -1.74 115.31 117.06 3ml9 h LEU 681 Ca 0.61 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3ml9 h LEU 681 Cb 1.20 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 3ml9 h LEU 681 CO -0.41 1.00 -0.25 0.25 0.09 0.00 0.00 178.44 179.13 3ml9 h LEU 682 N 0.34 -0.87 0.10 1.67 6.46 -0.84 -1.30 115.31 120.88 3ml9 h LEU 682 Ca 0.04 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3ml9 h LEU 682 Cb 0.81 0.47 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3ml9 h LEU 682 CO 0.06 -0.26 -0.05 0.11 -0.62 0.00 0.00 178.44 177.68 3ml9 h LYS 683 N -0.10 -0.13 -0.03 1.25 1.57 -0.48 -1.52 116.57 117.14 3ml9 h LYS 683 Ca 0.26 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 3ml9 h LYS 683 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3ml9 h LYS 683 CO -0.64 -0.02 -0.36 0.00 -0.57 0.00 0.00 179.45 177.85 3ml9 h ARG 684 N -0.20 0.06 0.52 3.15 2.47 -1.24 -1.29 114.38 117.84 3ml9 h ARG 684 Ca -0.01 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3ml9 h ARG 684 Cb 0.17 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3ml9 h ARG 684 CO 0.02 0.42 -0.25 0.78 0.56 0.00 0.00 179.97 181.50 3ml9 h GLY 685 N 1.12 -0.72 0.17 0.04 0.00 -1.12 -2.88 103.07 99.67 3ml9 h GLY 685 Ca 0.00 0.27 0.19 0.00 0.00 0.00 0.00 47.33 47.79 3ml9 h GLY 685 CO 0.05 -0.26 0.73 1.41 0.00 0.00 0.00 176.54 178.47 3ml9 h LEU 686 N -0.91 0.00 0.00 3.11 3.38 -1.09 -0.65 115.31 119.15 3ml9 h LEU 686 Ca -0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 3ml9 h LEU 686 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3ml9 h LEU 686 CO 0.12 0.00 -1.20 -0.09 0.09 0.00 0.00 178.44 177.35 3ml9 h ARG 687 N 0.00 0.00 -3.23 1.13 2.43 -1.15 -3.45 114.38 110.11 3ml9 h ARG 687 Ca 0.31 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 59.07 3ml9 h ARG 687 Cb 1.78 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.93 3ml9 h ARG 687 CO -0.00 0.79 -0.75 1.21 -1.51 0.00 0.00 179.97 179.71 3ml9 s ASN 688 N -6.47 1.66 0.53 -3.80 3.84 -0.25 -4.85 114.94 105.60 3ml9 s ASN 688 Ca -0.01 -0.21 0.20 0.00 0.21 0.00 0.00 52.86 53.06 3ml9 s ASN 688 Cb 0.09 -0.20 1.36 0.00 -0.55 0.00 0.00 41.25 41.95 3ml9 s ASN 688 CO 0.82 -0.29 2.10 0.11 -2.79 0.00 0.00 177.10 177.05 3ml9 h LYS 689 N 8.42 0.00 0.16 0.43 1.57 -1.82 0.11 116.57 125.45 3ml9 h LYS 689 Ca -0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3ml9 h LYS 689 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ml9 h LYS 689 CO 0.21 0.00 -0.08 -0.09 -0.57 0.00 0.00 179.45 178.93 3ml9 h ARG 690 N 0.00 -0.21 -0.96 3.15 2.43 -1.91 0.21 114.38 117.09 3ml9 h ARG 690 Ca 0.09 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.48 3ml9 h ARG 690 Cb 0.37 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.85 3ml9 h ARG 690 CO -0.00 0.22 0.54 0.82 -1.51 0.00 0.00 179.97 180.04 3ml9 h ILE 691 N -0.75 0.61 -0.34 1.20 1.08 -1.78 -2.87 117.51 114.67 3ml9 h ILE 691 Ca -0.02 -0.21 -0.15 0.00 -0.39 0.00 0.00 64.86 64.08 3ml9 h ILE 691 Cb 0.52 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3ml9 h ILE 691 CO 0.04 0.11 -0.40 1.23 -0.69 0.00 0.00 178.15 178.44 3ml9 h GLY 692 N 0.62 0.91 1.00 5.37 0.00 -0.41 -0.66 103.07 109.90 3ml9 h GLY 692 Ca 0.58 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ml9 h GLY 692 CO -0.44 0.84 0.32 0.84 0.00 0.00 0.00 176.54 178.10 3ml9 h HIS 693 N 0.68 0.61 -0.22 5.60 -0.00 -0.40 -1.22 115.15 120.20 3ml9 h HIS 693 Ca 0.05 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.25 3ml9 h HIS 693 Cb 0.97 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.18 3ml9 h HIS 693 CO 0.06 0.39 -0.60 0.74 -0.00 0.00 0.00 177.93 178.51 3ml9 h PHE 694 N 0.66 0.92 -0.84 5.26 -1.00 -1.34 -2.83 116.94 117.77 3ml9 h PHE 694 Ca 0.18 -0.35 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 3ml9 h PHE 694 Cb -0.07 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 3ml9 h PHE 694 CO -0.04 1.14 0.45 1.25 -1.61 0.00 0.00 178.31 179.50 3ml9 h LEU 695 N 0.54 1.06 0.04 1.54 5.85 -0.98 0.42 115.31 123.79 3ml9 h LEU 695 Ca -0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3ml9 h LEU 695 Cb 1.19 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3ml9 h LEU 695 CO 0.12 0.86 -0.39 0.15 -0.34 0.00 0.00 178.44 178.85 3ml9 h PHE 696 N 1.18 -1.08 -0.39 1.25 3.57 -1.13 -1.75 116.94 118.60 3ml9 h PHE 696 Ca 0.29 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 3ml9 h PHE 696 Cb 0.05 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3ml9 h PHE 696 CO 0.01 -0.48 -0.17 -1.49 -2.23 0.00 0.00 178.31 173.96 3ml9 h TRP 697 N -0.57 0.80 -0.32 0.41 4.06 -1.10 -0.34 115.95 118.89 3ml9 h TRP 697 Ca 0.04 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.81 3ml9 h TRP 697 Cb 0.63 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 3ml9 h TRP 697 CO -0.38 0.84 0.10 0.74 -3.56 0.00 0.00 178.44 176.18 3ml9 h PHE 698 N 0.64 0.51 -0.37 0.49 0.05 -0.87 0.68 116.94 118.07 3ml9 h PHE 698 Ca 0.10 -0.05 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 3ml9 h PHE 698 Cb 0.64 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.43 3ml9 h PHE 698 CO 0.03 0.52 0.16 -0.07 -0.18 0.00 0.00 178.31 178.77 3ml9 h LEU 699 N 0.36 0.51 -0.87 1.54 3.38 -1.16 -2.56 115.31 116.50 3ml9 h LEU 699 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ml9 h LEU 699 Cb 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ml9 h LEU 699 CO -0.00 0.53 0.33 -0.09 0.09 0.00 0.00 178.44 179.30 3ml9 h ARG 700 N 0.46 1.16 -0.30 1.13 2.43 -0.78 0.41 114.38 118.88 3ml9 h ARG 700 Ca 0.13 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3ml9 h ARG 700 Cb 0.17 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3ml9 h ARG 700 CO -0.01 0.92 0.01 1.03 -1.51 0.00 0.00 179.97 180.41 3ml9 h SER 701 N 1.13 -0.10 -0.10 -3.80 0.87 -0.78 -1.10 113.55 109.67 3ml9 h SER 701 Ca 0.26 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3ml9 h SER 701 Cb 0.18 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3ml9 h SER 701 CO -0.03 -0.01 0.01 -0.33 -0.53 0.00 0.00 176.83 175.94 3ml9 h GLU 702 N 0.10 0.17 -0.71 2.24 4.39 -0.85 -2.68 114.58 117.24 3ml9 h GLU 702 Ca 0.14 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.94 3ml9 h GLU 702 Cb 0.18 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3ml9 h GLU 702 CO -0.23 0.39 0.48 0.82 -1.16 0.00 0.00 179.01 179.31 3ml9 h ILE 703 N -0.07 0.78 0.00 3.13 2.04 -0.13 -1.24 117.51 122.02 3ml9 h ILE 703 Ca 0.03 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3ml9 h ILE 703 Cb 0.31 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3ml9 h ILE 703 CO 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 178.15 177.95 3ml9 h ALA 704 N 1.66 0.89 0.00 1.87 0.00 -0.87 -3.38 119.26 119.44 3ml9 h ALA 704 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ml9 h ALA 704 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ml9 h ALA 704 CO -0.09 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3ml9 n GLN 705 N -3.25 0.79 -3.89 0.00 10.64 -0.81 -4.14 117.38 116.71 3ml9 n GLN 705 Ca 0.02 -0.73 -0.30 0.00 -1.83 0.00 0.00 57.00 54.15 3ml9 n GLN 705 Cb 0.55 -0.66 -0.15 0.00 -0.86 0.00 0.00 30.24 29.12 3ml9 n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3ml9 s SER 706 N -0.28 4.25 0.41 2.61 0.15 -0.53 -4.95 113.70 115.35 3ml9 s SER 706 Ca 0.00 -1.71 0.22 0.00 0.70 0.00 0.00 55.95 55.16 3ml9 s SER 706 Cb 0.00 -1.22 0.64 0.00 -1.71 0.00 0.00 66.02 63.73 3ml9 s SER 706 CO 0.00 -0.36 1.70 0.03 1.20 0.00 0.00 173.24 175.82 3ml9 h ARG 707 N 7.88 0.00 -0.28 5.44 3.08 -1.89 -0.78 114.38 127.84 3ml9 h ARG 707 Ca -0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3ml9 h ARG 707 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3ml9 h ARG 707 CO 0.47 0.25 -0.18 0.45 -1.07 0.00 0.00 179.97 179.89 3ml9 h HIS 708 N 0.00 0.55 0.00 3.04 3.86 -1.94 -3.36 115.15 117.30 3ml9 h HIS 708 Ca -0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3ml9 h HIS 708 Cb 0.94 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.26 3ml9 h HIS 708 CO 0.00 0.66 0.00 0.66 0.86 0.00 0.00 177.93 180.11 3ml9 n TYR 709 N -4.16 0.00 -0.25 2.45 4.02 -1.19 -4.41 117.16 113.62 3ml9 n TYR 709 Ca 0.00 -0.11 -0.02 0.00 -0.01 0.00 0.00 57.90 57.75 3ml9 n TYR 709 Cb 0.36 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.76 3ml9 n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3ml9 h GLN 710 N 0.00 0.79 -0.03 -0.72 3.07 -1.29 -1.40 115.11 115.53 3ml9 h GLN 710 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.73 3ml9 h GLN 710 Cb 0.43 -0.18 -0.05 0.00 0.08 0.00 0.00 27.48 27.76 3ml9 h GLN 710 CO 0.00 0.52 -0.26 1.96 0.09 0.00 0.00 178.83 181.15 3ml9 h GLN 711 N 0.81 -0.37 -0.39 0.06 4.20 -1.85 0.90 115.11 118.47 3ml9 h GLN 711 Ca 0.30 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.05 3ml9 h GLN 711 Cb 0.09 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3ml9 h GLN 711 CO -0.14 -0.24 0.21 -0.09 -0.67 0.00 0.00 178.83 177.90 3ml9 h ARG 712 N -0.38 0.42 -0.28 1.46 2.43 -1.88 -1.53 114.38 114.62 3ml9 h ARG 712 Ca 0.07 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3ml9 h ARG 712 Cb 0.48 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3ml9 h ARG 712 CO -0.24 0.28 -0.28 0.74 -1.51 0.00 0.00 179.97 178.95 3ml9 h PHE 713 N 0.43 0.63 -0.74 2.20 0.05 -0.49 -2.16 116.94 116.86 3ml9 h PHE 713 Ca 0.16 -0.15 0.13 0.00 3.82 0.00 0.00 57.97 61.93 3ml9 h PHE 713 Cb 0.04 -0.15 -0.09 0.00 2.00 0.00 0.00 35.95 37.75 3ml9 h PHE 713 CO -0.09 0.78 0.30 0.00 -0.18 0.00 0.00 178.31 179.13 3ml9 h ALA 714 N 1.21 1.03 0.00 2.45 0.00 0.13 0.95 119.26 125.03 3ml9 h ALA 714 Ca 0.06 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3ml9 h ALA 714 Cb 0.74 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ml9 h ALA 714 CO 0.06 -0.19 -0.13 0.28 0.00 0.00 0.00 179.25 179.26 3ml9 h VAL 715 N 0.46 0.28 0.15 0.00 2.07 -0.67 0.92 116.25 119.46 3ml9 h VAL 715 Ca 0.40 -1.05 -0.28 0.00 0.82 0.00 0.00 66.70 66.58 3ml9 h VAL 715 Cb 0.58 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3ml9 h VAL 715 CO -0.38 0.13 -1.39 0.40 0.02 0.00 0.00 177.57 176.35 3ml9 h ILE 716 N 0.00 1.11 0.61 4.57 2.04 -0.92 -2.88 117.51 122.05 3ml9 h ILE 716 Ca -0.00 -2.47 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 3ml9 h ILE 716 Cb 0.83 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 3ml9 h ILE 716 CO 0.02 0.75 -0.43 0.25 0.00 0.00 0.00 178.15 178.74 3ml9 h LEU 717 N -0.19 -1.10 -0.72 1.44 6.46 -0.67 -1.65 115.31 118.88 3ml9 h LEU 717 Ca -0.28 0.07 0.14 0.00 -0.12 0.00 0.00 57.88 57.69 3ml9 h LEU 717 Cb 1.85 0.34 -0.14 0.00 -0.73 0.00 0.00 40.66 41.98 3ml9 h LEU 717 CO 0.12 -0.64 -0.17 -0.08 -0.62 0.00 0.00 178.44 177.05 3ml9 h GLU 718 N -1.00 0.00 -0.79 1.25 4.81 -0.95 0.88 114.58 118.79 3ml9 h GLU 718 Ca -0.07 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3ml9 h GLU 718 Cb 0.82 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 3ml9 h GLU 718 CO 0.04 0.00 0.52 0.00 -0.73 0.00 0.00 179.01 178.84 3ml9 h ALA 719 N 1.72 1.51 -0.29 2.92 0.00 -1.36 -2.46 119.26 121.31 3ml9 h ALA 719 Ca 0.35 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3ml9 h ALA 719 Cb 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ml9 h ALA 719 CO -0.74 0.42 -0.42 -0.92 0.00 0.00 0.00 179.25 177.59 3ml9 h TYR 720 N 0.99 0.97 -0.21 0.00 3.20 0.16 -3.18 116.97 118.91 3ml9 h TYR 720 Ca 0.31 -0.32 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3ml9 h TYR 720 Cb 0.02 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3ml9 h TYR 720 CO -0.00 1.12 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.40 3ml9 h LEU 721 N 0.55 0.34 -0.08 2.82 3.38 -0.49 -2.22 115.31 119.60 3ml9 h LEU 721 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ml9 h LEU 721 Cb 1.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3ml9 h LEU 721 CO 0.10 0.53 0.00 0.54 0.09 0.00 0.00 178.44 179.70 3ml9 n ARG 722 N -4.21 0.89 0.00 1.13 1.74 -0.96 -3.30 116.66 111.96 3ml9 n ARG 722 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ml9 n ARG 722 Cb 0.32 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 3ml9 n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ml9 n GLY 723 N 0.36 1.00 0.16 -0.13 0.00 -0.98 -4.85 105.19 100.74 3ml9 n GLY 723 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3ml9 n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml9 n GLY 725 N 0.04 3.56 0.16 0.00 0.00 -1.26 -4.62 105.19 103.07 3ml9 n GLY 725 Ca -0.01 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.27 3ml9 n GLY 725 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ml9 h THR 726 N 0.61 1.22 -0.15 2.61 1.35 -1.62 -0.90 112.91 116.03 3ml9 h THR 726 Ca 0.00 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3ml9 h THR 726 Cb 0.00 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 3ml9 h THR 726 CO 0.00 0.51 0.09 0.00 -0.25 0.00 0.00 175.52 175.87 3ml9 h ALA 727 N 1.48 0.19 -0.35 6.62 0.00 -1.43 -0.22 119.26 125.55 3ml9 h ALA 727 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ml9 h ALA 727 Cb 1.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ml9 h ALA 727 CO 0.07 -0.31 0.19 0.52 0.00 0.00 0.00 179.25 179.72 3ml9 h MET 728 N 0.18 0.50 -0.99 0.00 2.07 -1.78 -2.00 114.93 112.91 3ml9 h MET 728 Ca 0.05 -0.06 0.16 0.00 -2.07 0.00 0.00 59.70 57.78 3ml9 h MET 728 Cb 0.00 -0.10 -0.09 0.00 -1.87 0.00 0.00 31.60 29.54 3ml9 h MET 728 CO -0.01 0.41 0.62 -0.07 1.07 0.00 0.00 176.91 178.93 3ml9 h LEU 729 N 0.45 0.81 -0.19 1.22 3.38 -0.70 0.48 115.31 120.75 3ml9 h LEU 729 Ca 0.12 0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 3ml9 h LEU 729 Cb 0.06 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ml9 h LEU 729 CO -0.02 0.36 -0.88 -0.74 0.09 0.00 0.00 178.44 177.26 3ml9 h HIS 730 N 0.83 0.77 -0.43 1.13 2.76 -0.92 -2.59 115.15 116.71 3ml9 h HIS 730 Ca 0.53 -0.38 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3ml9 h HIS 730 Cb 0.74 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3ml9 h HIS 730 CO -0.00 1.20 0.20 0.22 -1.30 0.00 0.00 177.93 178.24 3ml9 h ASP 731 N 0.34 0.56 -0.33 3.26 -0.00 -0.06 -1.71 116.42 118.49 3ml9 h ASP 731 Ca -0.07 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.03 56.80 3ml9 h ASP 731 Cb 1.50 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 40.66 3ml9 h ASP 731 CO 0.16 0.54 0.12 -0.26 -0.00 0.00 0.00 179.24 179.80 3ml9 h PHE 732 N 0.55 0.58 -0.31 0.28 0.05 -0.19 -2.56 116.94 115.34 3ml9 h PHE 732 Ca 0.15 -0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.82 3ml9 h PHE 732 Cb 0.13 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 3ml9 h PHE 732 CO -0.01 0.49 -0.15 1.15 -0.18 0.00 0.00 178.31 179.60 3ml9 h THR 733 N 0.57 1.29 -0.07 -1.55 2.02 -1.03 -1.21 112.91 112.94 3ml9 h THR 733 Ca 0.14 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.10 3ml9 h THR 733 Cb 0.18 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3ml9 h THR 733 CO -0.01 0.40 -0.34 1.56 0.37 0.00 0.00 175.52 177.51 3ml9 h GLN 734 N 0.40 -0.43 -0.95 6.66 4.20 -1.15 -0.91 115.11 122.94 3ml9 h GLN 734 Ca 0.07 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.85 3ml9 h GLN 734 Cb 0.68 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.50 3ml9 h GLN 734 CO 0.05 -0.29 0.61 1.96 -0.67 0.00 0.00 178.83 180.49 3ml9 h GLN 735 N -0.45 1.13 -0.34 1.46 4.20 -1.20 -1.37 115.11 118.54 3ml9 h GLN 735 Ca 0.08 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3ml9 h GLN 735 Cb 0.57 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3ml9 h GLN 735 CO -0.32 0.75 -0.05 0.28 -0.67 0.00 0.00 178.83 178.82 3ml9 h VAL 736 N 1.17 1.27 -0.16 -0.54 2.07 -0.93 -1.82 116.25 117.31 3ml9 h VAL 736 Ca 0.39 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3ml9 h VAL 736 Cb 0.05 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3ml9 h VAL 736 CO -0.14 0.35 -0.08 1.56 0.02 0.00 0.00 177.57 179.29 3ml9 h GLN 737 N 0.42 -0.06 0.45 1.57 4.20 -0.47 -1.74 115.11 119.49 3ml9 h GLN 737 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3ml9 h GLN 737 Cb 0.54 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3ml9 h GLN 737 CO 0.03 -0.04 -0.22 0.28 -0.67 0.00 0.00 178.83 178.21 3ml9 h VAL 738 N -0.06 0.55 0.00 -0.54 2.07 -1.18 -2.83 116.25 114.26 3ml9 h VAL 738 Ca 0.09 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3ml9 h VAL 738 Cb 0.19 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3ml9 h VAL 738 CO -0.20 0.02 -0.28 0.16 0.02 0.00 0.00 177.57 177.29 3ml9 h ILE 739 N -0.68 0.87 -0.47 4.57 -0.00 -1.24 -1.77 117.51 118.78 3ml9 h ILE 739 Ca -0.06 -1.12 -0.09 0.00 -0.00 0.00 0.00 64.86 63.59 3ml9 h ILE 739 Cb 0.50 1.67 -0.02 0.00 -0.00 0.00 0.00 36.82 38.97 3ml9 h ILE 739 CO 0.10 0.28 -0.05 -0.08 -0.00 0.00 0.00 178.15 178.40 3ml9 h GLU 740 N 0.00 0.87 0.03 0.16 4.57 -1.29 -0.49 114.58 118.42 3ml9 h GLU 740 Ca -0.00 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3ml9 h GLU 740 Cb 0.65 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 3ml9 h GLU 740 CO 0.04 0.94 -0.16 0.52 -1.18 0.00 0.00 179.01 179.16 3ml9 h MET 741 N 0.72 -0.27 -0.42 1.92 2.86 -1.09 -2.73 114.93 115.91 3ml9 h MET 741 Ca 0.13 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3ml9 h MET 741 Cb 0.58 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3ml9 h MET 741 CO 0.03 -0.18 0.22 -0.07 1.06 0.00 0.00 176.91 177.97 3ml9 h LEU 742 N -0.28 0.51 -0.21 1.22 3.38 -1.08 -0.79 115.31 118.06 3ml9 h LEU 742 Ca 0.04 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ml9 h LEU 742 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ml9 h LEU 742 CO -0.14 0.43 0.07 1.56 0.09 0.00 0.00 178.44 180.46 3ml9 h GLN 743 N 0.59 0.17 -0.32 1.13 4.20 -0.92 -0.73 115.11 119.23 3ml9 h GLN 743 Ca 0.15 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.92 3ml9 h GLN 743 Cb 0.04 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 3ml9 h GLN 743 CO -0.02 0.11 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.90 3ml9 h LYS 744 N 0.18 -0.06 -0.58 1.46 3.64 -0.85 0.35 116.57 120.70 3ml9 h LYS 744 Ca 0.09 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3ml9 h LYS 744 Cb 0.05 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 3ml9 h LYS 744 CO -0.09 -0.04 0.20 0.28 -2.27 0.00 0.00 179.45 177.53 3ml9 h VAL 745 N -0.07 0.77 0.54 2.00 2.07 -1.20 -0.12 116.25 120.25 3ml9 h VAL 745 Ca 0.16 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3ml9 h VAL 745 Cb 0.31 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3ml9 h VAL 745 CO -0.37 0.07 -0.26 0.74 0.02 0.00 0.00 177.57 177.78 3ml9 h THR 746 N 0.38 0.45 -0.95 2.57 2.02 0.11 0.32 112.91 117.81 3ml9 h THR 746 Ca 0.29 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.42 3ml9 h THR 746 Cb 0.35 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 3ml9 h THR 746 CO -0.30 0.02 0.59 -0.07 0.37 0.00 0.00 175.52 176.13 3ml9 h LEU 747 N -0.81 0.90 0.29 2.58 3.38 -0.47 -1.70 115.31 119.48 3ml9 h LEU 747 Ca -0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ml9 h LEU 747 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ml9 h LEU 747 CO 0.12 0.53 -0.14 0.44 0.09 0.00 0.00 178.44 179.48 3ml9 h ASP 748 N 1.00 -0.33 -0.30 -0.43 3.32 -0.53 -2.48 116.42 116.67 3ml9 h ASP 748 Ca 0.44 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 57.41 3ml9 h ASP 748 Cb 0.32 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3ml9 h ASP 748 CO -0.22 -0.00 0.23 0.40 -1.72 0.00 0.00 179.24 177.93 3ml9 h ILE 749 N -0.68 0.77 -0.29 0.35 5.03 -0.89 -2.09 117.51 119.71 3ml9 h ILE 749 Ca -0.04 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.64 3ml9 h ILE 749 Cb 0.47 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 35.08 3ml9 h ILE 749 CO 0.07 0.00 -0.09 0.50 -0.68 0.00 0.00 178.15 177.94 3ml9 h LYS 750 N 0.00 0.48 0.00 2.37 3.64 -0.86 -2.26 116.57 119.94 3ml9 h LYS 750 Ca 0.14 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ml9 h LYS 750 Cb 0.60 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3ml9 h LYS 750 CO -0.00 0.57 0.00 0.43 -2.27 0.00 0.00 179.45 178.18 3ml9 n SER 751 N -4.23 0.14 -4.38 4.20 7.64 -0.79 -4.12 113.62 112.09 3ml9 n SER 751 Ca 0.01 0.53 -0.45 0.00 1.01 0.00 0.00 58.87 59.96 3ml9 n SER 751 Cb 0.30 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3ml9 n SER 751 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ml9 s LEU 752 N -3.29 5.96 0.00 -3.43 1.43 -0.85 -5.15 118.68 113.35 3ml9 s LEU 752 Ca 0.09 -3.22 -0.27 0.00 -1.03 0.00 0.00 54.13 49.70 3ml9 s LEU 752 Cb 0.13 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 44.17 3ml9 s LEU 752 CO 0.40 -0.50 1.24 -1.54 0.23 0.00 0.00 176.35 176.18 3ml9 n SER 753 N 3.92 -1.30 -0.02 2.29 3.41 -1.26 -4.94 113.62 115.71 3ml9 n SER 753 Ca 0.26 -1.37 -0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3ml9 n SER 753 Cb 0.42 2.04 0.00 0.00 -0.26 0.00 0.00 64.21 66.41 3ml9 n SER 753 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ml9 n ASP 758 N -1.12 -0.02 -4.84 4.04 5.75 -1.26 -5.18 116.55 113.92 3ml9 n ASP 758 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.45 3ml9 n ASP 758 Cb 0.58 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 3ml9 n ASP 758 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ml9 s VAL 759 N -0.01 5.42 0.19 2.12 -7.23 -1.26 -5.08 120.40 114.55 3ml9 s VAL 759 Ca 0.00 0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 3ml9 s VAL 759 Cb -0.00 -3.47 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 3ml9 s VAL 759 CO 0.00 0.57 0.65 -0.94 -0.31 0.00 0.00 175.10 175.07 3ml9 s SER 760 N -0.68 6.97 0.00 4.85 1.04 -1.26 -4.95 113.70 119.66 3ml9 s SER 760 Ca 0.15 1.28 0.15 0.00 0.48 0.00 0.00 55.95 58.02 3ml9 s SER 760 Cb -0.12 -2.37 0.90 0.00 0.10 0.00 0.00 66.02 64.53 3ml9 s SER 760 CO 0.04 0.06 1.33 -1.20 0.98 0.00 0.00 173.24 174.46 3ml9 n SER 761 N 0.77 0.00 -0.02 7.02 7.64 -1.26 -0.51 113.62 127.25 3ml9 n SER 761 Ca -0.04 -0.70 -0.15 0.00 1.01 0.00 0.00 58.87 58.99 3ml9 n SER 761 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 3ml9 n SER 761 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3ml9 h GLN 762 N 0.00 0.25 -0.48 1.43 4.20 -2.00 -3.23 115.11 115.28 3ml9 h GLN 762 Ca 0.00 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.38 3ml9 h GLN 762 Cb 0.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3ml9 h GLN 762 CO 0.00 0.92 -0.07 0.28 -0.67 0.00 0.00 178.83 179.29 3ml9 h VAL 763 N -0.32 1.27 -0.00 -0.54 2.07 -1.18 -1.94 116.25 115.60 3ml9 h VAL 763 Ca -0.03 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ml9 h VAL 763 Cb 1.00 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3ml9 h VAL 763 CO 0.06 0.41 0.05 0.40 0.02 0.00 0.00 177.57 178.51 3ml9 h ILE 764 N 0.75 0.02 0.00 4.57 2.04 -1.48 -2.81 117.51 120.61 3ml9 h ILE 764 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3ml9 h ILE 764 Cb 0.61 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3ml9 h ILE 764 CO 0.04 0.00 -0.10 -1.28 0.00 0.00 0.00 178.15 176.81 3ml9 h SER 765 N 0.00 0.00 -0.01 1.72 0.87 -1.37 -3.28 113.55 111.48 3ml9 h SER 765 Ca 0.00 -0.75 -0.03 0.00 -1.23 0.00 0.00 61.79 59.78 3ml9 h SER 765 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3ml9 h SER 765 CO -0.00 0.94 -0.06 1.56 -0.53 0.00 0.00 176.83 178.74 3ml9 h GLN 766 N -1.00 0.18 0.38 2.24 7.50 -1.34 -2.22 115.11 120.84 3ml9 h GLN 766 Ca -0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 3ml9 h GLN 766 Cb 0.82 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.30 3ml9 h GLN 766 CO -0.02 0.26 -0.33 1.25 -1.50 0.00 0.00 178.83 178.49 3ml9 h LEU 767 N 0.18 -0.87 -1.30 1.46 6.46 -1.61 0.34 115.31 119.96 3ml9 h LEU 767 Ca 0.04 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 3ml9 h LEU 767 Cb 0.23 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 3ml9 h LEU 767 CO 0.01 -0.48 0.49 0.11 -0.62 0.00 0.00 178.44 177.96 3ml9 h LYS 768 N -0.72 0.90 -0.03 1.25 1.79 -1.56 -2.13 116.57 116.08 3ml9 h LYS 768 Ca -0.03 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 3ml9 h LYS 768 Cb 0.63 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3ml9 h LYS 768 CO -0.03 0.60 -0.01 1.96 -1.08 0.00 0.00 179.45 180.89 3ml9 h GLN 769 N 0.93 0.06 -0.40 3.15 4.20 -0.70 -2.85 115.11 119.50 3ml9 h GLN 769 Ca 0.29 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3ml9 h GLN 769 Cb 0.01 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3ml9 h GLN 769 CO -0.08 0.44 -0.05 0.87 -0.67 0.00 0.00 178.83 179.35 3ml9 h LYS 770 N -0.33 0.67 0.00 1.46 1.57 -0.27 -1.93 116.57 117.75 3ml9 h LYS 770 Ca 0.01 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3ml9 h LYS 770 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ml9 h LYS 770 CO 0.00 0.72 0.00 -0.07 -0.57 0.00 0.00 179.45 179.53 3ml9 h LEU 771 N 0.63 0.00 0.18 2.94 3.38 -1.35 -1.85 115.31 119.24 3ml9 h LEU 771 Ca 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 3ml9 h LEU 771 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ml9 h LEU 771 CO 0.02 0.00 -1.45 -0.33 0.09 0.00 0.00 178.44 176.78 3ml9 h GLU 772 N 0.00 0.38 -0.73 1.13 5.08 -1.12 -3.13 114.58 116.19 3ml9 h GLU 772 Ca 0.00 -0.65 0.12 0.00 -1.00 0.00 0.00 59.36 57.83 3ml9 h GLU 772 Cb 0.24 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 3ml9 h GLU 772 CO 0.00 1.31 -0.35 -0.91 -1.00 0.00 0.00 179.01 178.06 3ml9 h ASN 773 N -0.07 -1.24 -0.54 1.42 2.35 -0.88 -2.83 115.58 113.79 3ml9 h ASN 773 Ca -0.28 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3ml9 h ASN 773 Cb 1.96 0.63 -0.03 0.00 0.05 0.00 0.00 38.32 40.93 3ml9 h ASN 773 CO 0.17 -0.30 0.31 -0.07 -1.65 0.00 0.00 177.43 175.89 3ml9 h LEU 774 N -0.11 0.67 -0.55 1.61 3.38 -1.41 -2.16 115.31 116.73 3ml9 h LEU 774 Ca 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ml9 h LEU 774 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ml9 h LEU 774 CO -0.78 0.55 0.00 1.67 0.09 0.00 0.00 178.44 179.97 3ml9 n GLN 775 N -4.64 0.19 0.00 1.13 -0.06 -1.07 -4.16 117.38 108.78 3ml9 n GLN 775 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 3ml9 n GLN 775 Cb 0.07 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 3ml9 n GLN 775 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3ml9 n ASN 776 N -0.00 0.00 -1.60 1.69 4.13 -0.81 -4.97 115.26 113.70 3ml9 n ASN 776 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 3ml9 n ASN 776 Cb 0.03 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.30 3ml9 n ASN 776 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ml9 n SER 777 N 0.00 5.08 0.00 6.41 7.64 -1.26 -4.10 113.62 127.39 3ml9 n SER 777 Ca 0.00 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.20 3ml9 n SER 777 Cb 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3ml9 n SER 777 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ml9 n GLN 778 N 0.56 0.00 -0.23 1.43 3.00 -1.26 -5.07 117.38 115.81 3ml9 n GLN 778 Ca 0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.08 3ml9 n GLN 778 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.87 3ml9 n GLN 778 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3ml9 n LEU 779 N -0.31 0.10 -4.47 1.08 7.94 -1.26 -4.89 117.00 115.19 3ml9 n LEU 779 Ca 0.00 0.16 -0.29 0.00 -1.11 0.00 0.00 56.01 54.78 3ml9 n LEU 779 Cb 0.00 -0.12 0.26 0.00 0.53 0.00 0.00 43.42 44.08 3ml9 n LEU 779 CO 0.00 -0.17 0.51 -2.16 -1.11 0.00 0.00 177.39 174.46 3ml9 s PRO 780 N 0.26 -1.26 0.03 1.96 0.04 -1.26 -4.87 135.00 129.90 3ml9 s PRO 780 Ca 0.14 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 3ml9 s PRO 780 Cb -0.19 -1.53 -0.17 0.00 0.04 0.00 0.00 34.50 32.65 3ml9 s PRO 780 CO 0.10 -3.90 1.27 0.93 0.04 0.00 0.00 177.00 175.44 3ml9 h GLU 781 N -2.74 -1.02 0.00 4.56 4.39 -1.96 -3.47 114.58 114.35 3ml9 h GLU 781 Ca -0.59 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3ml9 h GLU 781 Cb 1.34 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 3ml9 h GLU 781 CO 0.48 -0.67 0.00 -1.13 -1.16 0.00 0.00 179.01 176.53 3ml9 n SER 782 N -5.48 0.58 0.00 1.42 3.41 -1.26 -4.30 113.62 107.99 3ml9 n SER 782 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3ml9 n SER 782 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3ml9 n SER 782 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3ml9 n PHE 783 N 0.00 0.00 -1.74 7.33 -1.74 -0.55 -4.91 117.46 115.84 3ml9 n PHE 783 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 3ml9 n PHE 783 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 3ml9 n PHE 783 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3ml9 n ARG 784 N -0.47 2.72 -2.17 3.97 1.74 -1.26 -0.90 116.66 120.29 3ml9 n ARG 784 Ca 0.00 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.63 3ml9 n ARG 784 Cb 0.00 -2.76 -0.03 0.00 -1.02 0.00 0.00 32.46 28.65 3ml9 n ARG 784 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ml9 s VAL 785 N 0.14 3.56 0.30 1.55 1.01 0.32 -4.86 120.40 122.43 3ml9 s VAL 785 Ca 0.65 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.62 3ml9 s VAL 785 Cb -0.49 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.40 3ml9 s VAL 785 CO 0.47 0.01 1.84 -0.65 0.00 0.00 0.00 175.10 176.76 3ml9 h PRO 786 N 7.79 0.72 0.00 2.72 0.11 -1.92 -2.69 132.00 138.73 3ml9 h PRO 786 Ca -0.39 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3ml9 h PRO 786 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ml9 h PRO 786 CO 0.90 0.68 -0.06 2.48 -0.21 0.00 0.00 178.00 181.80 3ml9 n TYR 787 N -4.27 0.03 -3.23 0.65 0.18 -1.26 -4.33 117.16 104.93 3ml9 n TYR 787 Ca 0.03 0.01 -0.21 0.00 1.88 0.00 0.00 57.90 59.61 3ml9 n TYR 787 Cb 0.24 -0.48 -0.07 0.00 -0.38 0.00 0.00 39.34 38.64 3ml9 n TYR 787 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3ml9 s ASP 788 N -3.05 0.70 0.56 9.48 -1.08 -1.02 -4.82 116.67 117.44 3ml9 s ASP 788 Ca 0.14 -2.68 0.31 0.00 -0.52 0.00 0.00 52.55 49.80 3ml9 s ASP 788 Cb 0.19 0.19 1.68 0.00 -1.46 0.00 0.00 42.92 43.52 3ml9 s ASP 788 CO 0.55 -0.14 1.93 1.55 0.52 0.00 0.00 175.17 179.58 3ml9 h PRO 789 N 5.54 0.00 0.00 4.34 0.13 -1.72 -1.29 132.00 139.00 3ml9 h PRO 789 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3ml9 h PRO 789 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3ml9 h PRO 789 CO 0.27 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.45 3ml9 n GLY 790 N -1.20 -1.11 3.49 1.56 0.00 -1.26 -4.77 105.19 101.90 3ml9 n GLY 790 Ca -0.02 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3ml9 n GLY 790 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ml9 s LEU 791 N -2.58 3.24 -0.27 0.99 1.43 -0.49 -0.44 118.68 120.57 3ml9 s LEU 791 Ca 0.23 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.10 3ml9 s LEU 791 Cb 0.17 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3ml9 s LEU 791 CO 0.38 0.16 0.15 -0.54 0.23 0.00 0.00 176.35 176.73 3ml9 s LYS 792 N 0.42 3.86 0.01 1.70 -0.14 -1.26 -0.52 119.74 123.81 3ml9 s LYS 792 Ca -0.04 -0.37 -0.19 0.00 -1.36 0.00 0.00 55.97 54.01 3ml9 s LYS 792 Cb -0.14 -3.54 -0.06 0.00 -1.68 0.00 0.00 37.83 32.41 3ml9 s LYS 792 CO 0.03 -0.17 0.55 0.00 -0.76 0.00 0.00 175.35 175.00 3ml9 s ALA 793 N 1.68 3.54 0.00 5.17 0.00 -0.08 -0.98 121.76 131.09 3ml9 s ALA 793 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3ml9 s ALA 793 Cb -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3ml9 s ALA 793 CO 0.08 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3ml9 n GLY 794 N 2.22 1.30 3.76 0.00 0.00 0.14 -1.49 105.19 111.11 3ml9 n GLY 794 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3ml9 n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml9 s ALA 795 N -2.39 3.12 1.13 4.61 0.00 -1.26 -4.62 121.76 122.35 3ml9 s ALA 795 Ca 0.00 1.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 3ml9 s ALA 795 Cb 0.00 -3.59 0.14 0.00 0.00 0.00 0.00 23.12 19.67 3ml9 s ALA 795 CO 0.00 -1.26 0.45 1.28 0.00 0.00 0.00 175.76 176.23 3ml9 n LEU 796 N -0.43 0.00 -3.16 0.00 4.32 -1.26 -0.34 117.00 116.12 3ml9 n LEU 796 Ca 0.07 -0.48 -0.22 0.00 -0.02 0.00 0.00 56.01 55.36 3ml9 n LEU 796 Cb 0.43 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 3ml9 n LEU 796 CO 0.57 -1.63 -0.14 0.00 -1.22 0.00 0.00 177.39 174.97 3ml9 n ALA 797 N -3.89 2.79 -0.14 -1.18 0.00 -0.33 -4.52 120.51 113.24 3ml9 n ALA 797 Ca -0.09 -3.77 -0.01 0.00 0.00 0.00 0.00 53.44 49.57 3ml9 n ALA 797 Cb 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3ml9 n ALA 797 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ml9 n ILE 798 N 0.47 -0.20 -0.21 0.00 2.08 -1.26 0.94 119.36 121.18 3ml9 n ILE 798 Ca 0.26 0.84 -0.03 0.00 0.56 0.00 0.00 62.75 64.38 3ml9 n ILE 798 Cb 0.56 -1.09 -0.02 0.00 -0.75 0.00 0.00 39.64 38.34 3ml9 n ILE 798 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3ml9 n GLU 799 N -4.50 -0.18 0.05 0.38 0.28 -1.26 -2.19 120.64 113.22 3ml9 n GLU 799 Ca 0.03 0.78 -0.03 0.00 -0.16 0.00 0.00 57.16 57.78 3ml9 n GLU 799 Cb 0.13 -1.15 -0.08 0.00 1.43 0.00 0.00 31.44 31.77 3ml9 n GLU 799 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3ml9 h LYS 800 N 0.00 0.00 -6.99 3.44 1.57 0.18 -3.46 116.57 111.31 3ml9 h LYS 800 Ca 0.13 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.37 3ml9 h LYS 800 Cb 0.25 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.67 3ml9 h LYS 800 CO -0.49 0.56 0.64 0.00 -0.57 0.00 0.00 179.45 179.58 3ml9 s LYS 802 N -2.47 0.97 -0.17 0.00 1.02 -0.32 -4.94 119.74 113.83 3ml9 s LYS 802 Ca 0.62 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 3ml9 s LYS 802 Cb -0.40 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.21 3ml9 s LYS 802 CO 0.51 -0.32 0.01 0.08 -0.92 0.00 0.00 175.35 174.71 3ml9 s VAL 803 N -3.93 4.34 0.53 3.17 1.01 -1.26 0.75 120.40 125.00 3ml9 s VAL 803 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3ml9 s VAL 803 Cb 0.05 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3ml9 s VAL 803 CO -0.05 0.48 0.79 -0.04 0.00 0.00 0.00 175.10 176.28 3ml9 s MET 804 N 0.36 2.96 -1.18 2.72 1.00 -0.42 -4.95 119.30 119.79 3ml9 s MET 804 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 55.69 55.37 3ml9 s MET 804 Cb -0.13 -2.41 0.23 0.00 0.00 0.00 0.00 34.83 32.51 3ml9 s MET 804 CO 0.02 -0.51 1.97 0.00 0.00 0.00 0.00 175.02 176.49 3ml9 n ALA 805 N -2.34 6.07 -2.09 3.03 0.00 -1.26 -4.48 120.51 119.43 3ml9 n ALA 805 Ca 0.03 -4.42 -0.20 0.00 0.00 0.00 0.00 53.44 48.85 3ml9 n ALA 805 Cb 0.58 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 17.52 3ml9 n ALA 805 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ml9 s SER 806 N -0.51 5.21 0.10 0.00 0.15 -1.26 -4.85 113.70 112.55 3ml9 s SER 806 Ca 0.43 -0.75 -0.32 0.00 0.70 0.00 0.00 55.95 56.00 3ml9 s SER 806 Cb 0.15 -0.06 -0.13 0.00 -1.71 0.00 0.00 66.02 64.26 3ml9 s SER 806 CO -0.06 -1.07 1.59 0.11 1.20 0.00 0.00 173.24 175.02 3ml9 h LYS 807 N 0.47 -0.75 -7.58 5.44 6.56 -2.02 -3.40 116.57 115.28 3ml9 h LYS 807 Ca -0.35 0.05 -0.45 0.00 -1.06 0.00 0.00 60.65 58.84 3ml9 h LYS 807 Cb 1.29 0.17 0.14 0.00 -0.57 0.00 0.00 32.23 33.26 3ml9 h LYS 807 CO 0.46 -0.50 0.33 -1.59 -2.06 0.00 0.00 179.45 176.08 3ml9 s LYS 808 N -5.94 0.90 -0.69 3.15 0.00 -1.26 -5.03 119.74 110.86 3ml9 s LYS 808 Ca -0.17 0.06 0.05 0.00 0.00 0.00 0.00 55.97 55.91 3ml9 s LYS 808 Cb 0.06 -1.83 0.19 0.00 0.00 0.00 0.00 37.83 36.25 3ml9 s LYS 808 CO 0.62 -2.32 0.57 1.63 0.00 0.00 0.00 175.35 175.86 3ml9 n LYS 809 N -3.80 2.05 -2.34 1.78 4.76 -1.26 -4.83 118.16 114.52 3ml9 n LYS 809 Ca 0.10 -4.55 -0.35 0.00 -2.87 0.00 0.00 58.31 50.63 3ml9 n LYS 809 Cb 0.60 -2.28 -0.01 0.00 -1.84 0.00 0.00 35.03 31.49 3ml9 n LYS 809 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ml9 s PRO 810 N -1.77 3.60 0.23 1.97 0.04 -1.26 -4.61 135.00 133.21 3ml9 s PRO 810 Ca 0.29 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 3ml9 s PRO 810 Cb 0.01 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3ml9 s PRO 810 CO -0.13 -0.64 0.66 -0.51 0.04 0.00 0.00 177.00 176.43 3ml9 s LEU 811 N -3.46 4.26 -0.64 -3.56 1.02 -0.05 -1.30 118.68 114.95 3ml9 s LEU 811 Ca 0.68 1.25 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 3ml9 s LEU 811 Cb -0.23 -3.63 0.16 0.00 0.02 0.00 0.00 46.19 42.51 3ml9 s LEU 811 CO 0.27 -0.02 0.45 0.86 0.02 0.00 0.00 176.35 177.94 3ml9 s TRP 812 N -1.65 3.41 0.22 0.29 -0.11 0.23 -2.01 118.94 119.32 3ml9 s TRP 812 Ca 0.45 -2.79 -0.01 0.00 1.22 0.00 0.00 56.10 54.97 3ml9 s TRP 812 Cb -0.14 -3.16 -0.04 0.00 -1.50 0.00 0.00 33.47 28.62 3ml9 s TRP 812 CO 0.20 -0.82 0.42 -0.51 -4.62 0.00 0.00 176.95 171.62 3ml9 s LEU 813 N -0.22 4.19 0.02 5.86 1.43 -0.82 -1.18 118.68 127.97 3ml9 s LEU 813 Ca 0.18 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3ml9 s LEU 813 Cb -0.20 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 3ml9 s LEU 813 CO -0.04 -0.08 -0.02 -1.61 0.23 0.00 0.00 176.35 174.83 3ml9 s GLU 814 N -3.45 0.25 0.15 1.70 2.02 -1.26 -1.70 118.70 116.41 3ml9 s GLU 814 Ca 0.39 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.92 3ml9 s GLU 814 Cb -0.11 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 3ml9 s GLU 814 CO 0.30 -0.04 -0.07 -0.06 0.02 0.00 0.00 175.26 175.41 3ml9 s PHE 815 N -1.17 1.20 0.14 1.61 0.40 -0.13 -1.18 117.98 118.84 3ml9 s PHE 815 Ca -0.13 -0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 55.23 3ml9 s PHE 815 Cb -0.08 -0.65 -0.07 0.00 0.51 0.00 0.00 43.02 42.73 3ml9 s PHE 815 CO -0.01 -0.02 0.51 0.21 0.70 0.00 0.00 175.22 176.61 3ml9 s LYS 816 N -3.80 3.90 0.06 0.44 2.20 0.54 -0.43 119.74 122.64 3ml9 s LYS 816 Ca 0.18 0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 55.87 3ml9 s LYS 816 Cb 0.04 -2.90 -0.08 0.00 -1.51 0.00 0.00 37.83 33.38 3ml9 s LYS 816 CO 0.01 0.47 1.69 0.00 -0.36 0.00 0.00 175.35 177.15 3ml9 n ALA 818 N 5.87 1.54 -2.62 0.00 0.00 -0.15 -4.60 120.51 120.55 3ml9 n ALA 818 Ca 0.16 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3ml9 n ALA 818 Cb 0.41 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3ml9 n ALA 818 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ml9 s ASP 819 N -3.40 6.37 0.44 0.00 -1.08 -1.26 -4.95 116.67 112.79 3ml9 s ASP 819 Ca 0.05 0.44 0.12 0.00 -0.52 0.00 0.00 52.55 52.64 3ml9 s ASP 819 Cb 0.08 -2.25 0.97 0.00 -1.46 0.00 0.00 42.92 40.26 3ml9 s ASP 819 CO 0.26 -0.21 2.00 -0.65 0.52 0.00 0.00 175.17 177.09 3ml9 h PRO 820 N 7.96 0.14 0.00 4.34 0.11 -1.98 -2.61 132.00 139.95 3ml9 h PRO 820 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ml9 h PRO 820 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ml9 h PRO 820 CO 0.69 0.23 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 3ml9 n THR 821 N -4.37 0.00 -1.72 -1.15 -2.24 -1.26 -4.78 114.28 98.77 3ml9 n THR 821 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3ml9 n THR 821 Cb 0.20 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 3ml9 n THR 821 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml9 s ALA 822 N -2.00 3.64 0.38 6.98 0.00 -0.99 -3.31 121.76 126.46 3ml9 s ALA 822 Ca 0.23 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.60 3ml9 s ALA 822 Cb 0.11 -3.81 0.80 0.00 0.00 0.00 0.00 23.12 20.22 3ml9 s ALA 822 CO 0.18 -1.43 1.96 1.37 0.00 0.00 0.00 175.76 177.83 3ml9 h LEU 823 N 9.89 0.60 0.00 0.00 8.10 -1.86 -3.45 115.31 128.60 3ml9 h LEU 823 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.52 3ml9 h LEU 823 Cb 1.23 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 3ml9 h LEU 823 CO 0.94 0.38 0.00 -0.24 -4.11 0.00 0.00 178.44 175.42 3ml9 n SER 824 N -4.48 0.90 -0.21 0.17 2.88 -1.26 -5.07 113.62 106.54 3ml9 n SER 824 Ca 0.11 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 3ml9 n SER 824 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 3ml9 n SER 824 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ml9 n ASN 825 N -1.01 0.00 -4.71 -3.46 3.02 -1.26 -5.06 115.26 102.79 3ml9 n ASN 825 Ca 0.00 -1.40 -0.43 0.00 -0.03 0.00 0.00 54.58 52.72 3ml9 n ASN 825 Cb 0.00 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3ml9 n ASN 825 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ml9 n GLU 826 N 0.00 2.33 -0.82 3.52 1.02 -1.26 -4.94 120.64 120.49 3ml9 n GLU 826 Ca 0.00 0.83 -0.30 0.00 -0.02 0.00 0.00 57.16 57.67 3ml9 n GLU 826 Cb 0.58 -2.53 0.17 0.00 -0.02 0.00 0.00 31.44 29.64 3ml9 n GLU 826 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3ml9 s THR 827 N -0.16 2.33 -0.24 2.62 -4.23 -1.26 -4.54 115.64 110.17 3ml9 s THR 827 Ca 0.65 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 61.10 3ml9 s THR 827 Cb -0.58 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3ml9 s THR 827 CO 0.51 -0.14 0.42 -0.63 -0.54 0.00 0.00 174.62 174.24 3ml9 s ILE 828 N -2.69 5.16 -0.21 2.99 1.01 0.42 -4.88 121.20 123.01 3ml9 s ILE 828 Ca 0.66 0.71 -0.06 0.00 0.00 0.00 0.00 60.65 61.96 3ml9 s ILE 828 Cb -0.22 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3ml9 s ILE 828 CO 0.59 0.18 0.03 -0.83 0.00 0.00 0.00 174.94 174.91 3ml9 s GLY 829 N 1.34 1.76 -0.03 6.18 0.00 -1.26 -0.96 107.32 114.34 3ml9 s GLY 829 Ca 0.18 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.94 3ml9 s GLY 829 CO 0.09 0.29 -0.10 -0.42 0.00 0.00 0.00 173.10 172.96 3ml9 s ILE 830 N 1.07 0.88 0.15 0.90 1.01 -0.69 -0.38 121.20 124.14 3ml9 s ILE 830 Ca 0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 3ml9 s ILE 830 Cb -0.14 -0.79 -0.07 0.00 0.01 0.00 0.00 42.46 41.47 3ml9 s ILE 830 CO 0.02 0.28 0.54 -0.63 0.00 0.00 0.00 174.94 175.15 3ml9 s ILE 831 N 0.31 4.88 -0.13 2.92 1.01 0.12 -1.94 121.20 128.38 3ml9 s ILE 831 Ca -0.06 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.38 3ml9 s ILE 831 Cb -0.11 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3ml9 s ILE 831 CO 0.01 0.22 -0.17 -0.36 0.00 0.00 0.00 174.94 174.64 3ml9 s PHE 832 N -1.49 2.25 -0.00 3.97 0.40 -0.85 -0.80 117.98 121.45 3ml9 s PHE 832 Ca 0.38 -1.13 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 3ml9 s PHE 832 Cb -0.15 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 3ml9 s PHE 832 CO 0.19 -0.56 -0.06 0.21 0.70 0.00 0.00 175.22 175.69 3ml9 s LYS 833 N 1.03 0.51 0.05 0.44 2.20 -0.67 -0.87 119.74 122.43 3ml9 s LYS 833 Ca -0.04 -0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.35 3ml9 s LYS 833 Cb -0.15 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.66 3ml9 s LYS 833 CO -0.04 0.13 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.39 3ml9 s HIS 834 N -0.26 2.73 0.00 4.03 5.65 -1.26 -2.24 115.29 123.94 3ml9 s HIS 834 Ca 0.01 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.18 3ml9 s HIS 834 Cb -0.03 -1.51 0.00 0.00 -1.18 0.00 0.00 32.58 29.86 3ml9 s HIS 834 CO -0.00 0.35 0.00 0.41 -0.65 0.00 0.00 174.74 174.85 3ml9 n GLY 835 N 1.28 1.55 3.46 1.59 0.00 0.17 -4.78 105.19 108.46 3ml9 n GLY 835 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ml9 n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ml9 s ASP 836 N -1.87 4.23 -0.54 1.61 1.01 -1.21 -5.06 116.67 114.84 3ml9 s ASP 836 Ca 0.00 -0.21 -0.28 0.00 0.71 0.00 0.00 52.55 52.77 3ml9 s ASP 836 Cb 0.00 -1.33 0.01 0.00 1.01 0.00 0.00 42.92 42.61 3ml9 s ASP 836 CO 0.00 0.25 1.51 -0.62 0.21 0.00 0.00 175.17 176.52 3ml9 s ASP 837 N -0.17 6.00 0.00 0.27 2.15 -1.26 -3.62 116.67 120.04 3ml9 s ASP 837 Ca 0.01 0.40 0.26 0.00 0.43 0.00 0.00 52.55 53.65 3ml9 s ASP 837 Cb -0.13 -2.54 1.54 0.00 -0.30 0.00 0.00 42.92 41.49 3ml9 s ASP 837 CO 0.03 -1.79 1.96 0.18 -0.17 0.00 0.00 175.17 175.39 3ml9 n LEU 838 N 10.02 0.00 -0.00 -1.34 4.32 -1.26 -3.70 117.00 125.04 3ml9 n LEU 838 Ca 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.03 3ml9 n LEU 838 Cb 0.49 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.25 3ml9 n LEU 838 CO 0.71 0.00 0.85 0.03 -1.22 0.00 0.00 177.39 177.76 3ml9 h ARG 839 N 0.00 0.01 -0.91 3.23 3.08 -1.93 -2.57 114.38 115.28 3ml9 h ARG 839 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ml9 h ARG 839 Cb 0.00 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 3ml9 h ARG 839 CO 0.00 0.01 0.58 1.96 -1.07 0.00 0.00 179.97 181.44 3ml9 h GLN 840 N 0.01 1.02 -0.63 0.04 4.20 -1.80 -1.81 115.11 116.14 3ml9 h GLN 840 Ca 0.05 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3ml9 h GLN 840 Cb 0.07 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3ml9 h GLN 840 CO -0.11 0.67 0.05 -0.44 -0.67 0.00 0.00 178.83 178.34 3ml9 h ASP 841 N 1.05 1.04 -0.75 1.46 5.19 -1.77 -2.31 116.42 120.34 3ml9 h ASP 841 Ca 0.40 -0.29 0.11 0.00 -0.62 0.00 0.00 57.03 56.64 3ml9 h ASP 841 Cb 0.18 -0.28 -0.08 0.00 0.18 0.00 0.00 39.33 39.33 3ml9 h ASP 841 CO -0.18 1.07 0.36 0.24 -3.12 0.00 0.00 179.24 177.61 3ml9 h MET 842 N 0.98 0.55 -0.42 3.56 2.86 -0.94 -0.52 114.93 121.00 3ml9 h MET 842 Ca 0.18 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3ml9 h MET 842 Cb 0.50 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3ml9 h MET 842 CO 0.02 0.37 0.02 -0.07 1.06 0.00 0.00 176.91 178.30 3ml9 h LEU 843 N 0.57 0.72 -0.28 1.22 4.07 -0.84 -2.14 115.31 118.63 3ml9 h LEU 843 Ca 0.39 -0.30 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 3ml9 h LEU 843 Cb 0.48 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3ml9 h LEU 843 CO -0.32 0.84 0.06 0.40 -1.08 0.00 0.00 178.44 178.34 3ml9 h ILE 844 N 0.57 1.22 -0.95 1.22 1.08 -1.07 -1.51 117.51 118.08 3ml9 h ILE 844 Ca 0.12 -0.74 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 3ml9 h ILE 844 Cb 0.46 1.18 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 3ml9 h ILE 844 CO 0.02 0.24 0.61 -0.07 -0.69 0.00 0.00 178.15 178.26 3ml9 h LEU 845 N 0.28 1.00 -0.29 1.44 4.07 -1.01 0.13 115.31 120.92 3ml9 h LEU 845 Ca 0.09 -0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.85 3ml9 h LEU 845 Cb 0.30 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ml9 h LEU 845 CO 0.00 0.67 -0.87 -0.61 -1.08 0.00 0.00 178.44 176.56 3ml9 h GLN 846 N 1.16 0.22 -0.83 1.13 5.75 -1.10 -1.20 115.11 120.24 3ml9 h GLN 846 Ca 0.39 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3ml9 h GLN 846 Cb 0.07 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3ml9 h GLN 846 CO -0.14 0.96 0.55 0.82 -2.65 0.00 0.00 178.83 178.37 3ml9 h ILE 847 N 0.13 1.20 -0.40 2.39 2.04 -0.80 -1.68 117.51 120.38 3ml9 h ILE 847 Ca -0.05 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3ml9 h ILE 847 Cb 1.49 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3ml9 h ILE 847 CO 0.13 0.20 0.17 -0.07 0.00 0.00 0.00 178.15 178.58 3ml9 h LEU 848 N 1.12 0.55 -1.48 1.44 4.07 -0.04 0.15 115.31 121.12 3ml9 h LEU 848 Ca 0.31 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.14 3ml9 h LEU 848 Cb -0.11 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.46 3ml9 h LEU 848 CO -0.07 0.56 0.38 0.03 -1.08 0.00 0.00 178.44 178.26 3ml9 h ARG 849 N 0.50 0.66 -0.27 1.13 3.08 -1.06 0.21 114.38 118.63 3ml9 h ARG 849 Ca 0.13 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3ml9 h ARG 849 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3ml9 h ARG 849 CO -0.01 0.44 -0.37 0.82 -1.07 0.00 0.00 179.97 179.77 3ml9 h ILE 850 N 0.68 1.29 -0.41 2.04 2.04 -0.35 -0.76 117.51 122.03 3ml9 h ILE 850 Ca 0.23 -1.53 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 3ml9 h ILE 850 Cb 0.08 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3ml9 h ILE 850 CO -0.06 0.49 -0.07 0.24 0.00 0.00 0.00 178.15 178.75 3ml9 h MET 851 N 0.51 0.77 -0.13 2.37 2.86 0.18 0.90 114.93 122.38 3ml9 h MET 851 Ca 0.05 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3ml9 h MET 851 Cb 0.88 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3ml9 h MET 851 CO 0.08 0.89 0.09 0.93 1.06 0.00 0.00 176.91 179.95 3ml9 h GLU 852 N 0.59 0.14 -0.01 1.72 5.08 -0.78 0.82 114.58 122.14 3ml9 h GLU 852 Ca 0.11 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.23 3ml9 h GLU 852 Cb 0.58 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3ml9 h GLU 852 CO 0.03 0.09 -0.94 1.03 -1.00 0.00 0.00 179.01 178.22 3ml9 h SER 853 N 0.14 0.61 -0.45 1.42 0.87 -0.60 -2.04 113.55 113.50 3ml9 h SER 853 Ca 0.05 -0.48 -0.08 0.00 -1.23 0.00 0.00 61.79 60.05 3ml9 h SER 853 Cb 0.04 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3ml9 h SER 853 CO -0.01 1.28 -0.03 0.40 -0.53 0.00 0.00 176.83 177.94 3ml9 h ILE 854 N 0.27 1.25 -0.02 2.23 2.04 -0.02 -3.04 117.51 120.22 3ml9 h ILE 854 Ca -0.08 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 3ml9 h ILE 854 Cb 1.58 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3ml9 h ILE 854 CO 0.17 0.38 -0.53 -0.50 0.00 0.00 0.00 178.15 177.67 3ml9 h TRP 855 N 0.80 0.06 -0.08 1.37 6.55 -0.81 -2.87 115.95 120.97 3ml9 h TRP 855 Ca 0.15 -0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.94 3ml9 h TRP 855 Cb 0.52 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 3ml9 h TRP 855 CO 0.03 0.57 -0.07 1.49 -1.05 0.00 0.00 178.44 179.40 3ml9 h GLU 856 N 0.04 0.11 0.00 0.49 4.81 -1.26 0.11 114.58 118.88 3ml9 h GLU 856 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3ml9 h GLU 856 Cb 0.95 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3ml9 h GLU 856 CO 0.07 0.20 -0.07 1.79 -0.73 0.00 0.00 179.01 180.27 3ml9 h THR 857 N 0.11 0.95 -0.45 0.32 1.35 -1.45 -1.66 112.91 112.09 3ml9 h THR 857 Ca 0.03 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 65.54 3ml9 h THR 857 Cb 0.21 1.14 -0.05 0.00 -1.73 0.00 0.00 68.15 67.72 3ml9 h THR 857 CO 0.01 0.07 0.07 -0.62 -0.25 0.00 0.00 175.52 174.80 3ml9 n GLU 858 N -4.31 3.21 -2.39 4.72 -0.58 -0.57 -4.95 120.64 115.77 3ml9 n GLU 858 Ca -0.03 -3.01 -0.20 0.00 -0.42 0.00 0.00 57.16 53.50 3ml9 n GLU 858 Cb 0.15 -2.00 -0.01 0.00 -0.57 0.00 0.00 31.44 29.01 3ml9 n GLU 858 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3ml9 n SER 859 N -0.38 -5.80 -4.66 1.62 7.64 -0.62 -4.98 113.62 106.43 3ml9 n SER 859 Ca 0.30 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.83 3ml9 n SER 859 Cb 1.09 -4.84 -0.10 0.00 -1.01 0.00 0.00 64.21 59.36 3ml9 n SER 859 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ml9 s LEU 860 N -5.99 3.71 -0.46 -3.43 1.43 0.28 -4.73 118.68 109.48 3ml9 s LEU 860 Ca 0.00 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3ml9 s LEU 860 Cb 0.00 -1.89 0.12 0.00 0.03 0.00 0.00 46.19 44.45 3ml9 s LEU 860 CO 0.00 0.28 0.20 -0.62 0.23 0.00 0.00 176.35 176.45 3ml9 s ASP 861 N -0.30 4.34 0.00 2.29 -1.08 -1.26 -3.33 116.67 117.33 3ml9 s ASP 861 Ca 0.07 -2.73 0.12 0.00 -0.52 0.00 0.00 52.55 49.50 3ml9 s ASP 861 Cb -0.12 -1.55 0.66 0.00 -1.46 0.00 0.00 42.92 40.44 3ml9 s ASP 861 CO 0.02 -0.28 1.43 0.18 0.52 0.00 0.00 175.17 177.04 3ml9 n LEU 862 N 3.48 0.20 -1.71 -1.34 7.99 -1.26 -4.90 117.00 119.46 3ml9 n LEU 862 Ca 0.05 -0.09 -0.17 0.00 -0.01 0.00 0.00 56.01 55.78 3ml9 n LEU 862 Cb 0.35 -0.02 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 3ml9 n LEU 862 CO 0.29 0.05 -0.20 0.00 -1.51 0.00 0.00 177.39 176.02 3ml9 n LEU 864 N -2.29 3.15 -3.98 0.00 4.77 -1.26 -4.75 117.00 112.64 3ml9 n LEU 864 Ca -0.19 0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 3ml9 n LEU 864 Cb 0.62 -1.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.20 3ml9 n LEU 864 CO 0.25 -2.20 0.05 -0.76 -1.33 0.00 0.00 177.39 173.40 3ml9 s LEU 865 N -3.61 4.98 -1.14 2.23 1.02 -1.26 -5.02 118.68 115.89 3ml9 s LEU 865 Ca 0.71 -3.60 -0.21 0.00 0.02 0.00 0.00 54.13 51.04 3ml9 s LEU 865 Cb -0.31 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.19 3ml9 s LEU 865 CO 0.53 -0.16 1.72 -2.16 0.02 0.00 0.00 176.35 176.30 3ml9 s PRO 866 N -1.13 3.38 0.68 1.29 0.04 -1.26 -4.87 135.00 133.14 3ml9 s PRO 866 Ca 0.24 -1.33 -0.13 0.00 0.04 0.00 0.00 61.00 59.81 3ml9 s PRO 866 Cb -0.10 -5.36 0.01 0.00 0.04 0.00 0.00 34.50 29.09 3ml9 s PRO 866 CO -0.12 -2.73 1.08 1.52 0.04 0.00 0.00 177.00 176.79 3ml9 s TYR 867 N 6.59 2.79 0.44 0.56 -0.85 -1.26 -4.97 117.35 120.64 3ml9 s TYR 867 Ca 0.57 1.52 -0.25 0.00 -0.52 0.00 0.00 57.07 58.39 3ml9 s TYR 867 Cb 0.00 -3.04 -0.09 0.00 0.38 0.00 0.00 41.96 39.21 3ml9 s TYR 867 CO 0.02 -1.49 1.22 0.41 -1.52 0.00 0.00 175.55 174.19 3ml9 n GLY 868 N -1.10 0.40 3.39 5.49 0.00 -1.26 -4.88 105.19 107.23 3ml9 n GLY 868 Ca 0.09 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3ml9 n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml9 s ILE 870 N 1.97 0.55 0.32 0.00 -1.09 -0.79 -4.82 121.20 117.34 3ml9 s ILE 870 Ca -0.07 -0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 3ml9 s ILE 870 Cb -0.09 -0.81 -0.10 0.00 -1.58 0.00 0.00 42.46 39.88 3ml9 s ILE 870 CO -0.15 0.10 1.24 -0.55 -1.23 0.00 0.00 174.94 174.35 3ml9 s SER 871 N 1.88 6.92 0.00 3.58 0.15 -1.26 -1.86 113.70 123.11 3ml9 s SER 871 Ca 0.03 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3ml9 s SER 871 Cb -0.14 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3ml9 s SER 871 CO -0.07 -0.41 0.52 0.35 1.20 0.00 0.00 173.24 174.83 3ml9 n THR 872 N 0.90 0.25 -0.53 6.45 -2.24 -0.80 -4.49 114.28 113.82 3ml9 n THR 872 Ca -0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ml9 n THR 872 Cb 0.43 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 3ml9 n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ml9 n GLY 873 N -0.13 -2.26 3.63 3.38 0.00 -1.09 -4.80 105.19 103.93 3ml9 n GLY 873 Ca 0.00 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 3ml9 n GLY 873 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ml9 n ASP 874 N 2.12 3.67 -1.79 1.61 2.03 -1.26 -2.15 116.55 120.78 3ml9 n ASP 874 Ca 0.00 0.67 -0.16 0.00 0.52 0.00 0.00 54.79 55.82 3ml9 n ASP 874 Cb 0.00 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 38.85 3ml9 n ASP 874 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ml9 n LYS 875 N 7.82 -1.57 -3.78 -0.67 4.76 -1.26 -4.87 118.16 118.59 3ml9 n LYS 875 Ca 0.25 0.90 -0.13 0.00 -2.87 0.00 0.00 58.31 56.45 3ml9 n LYS 875 Cb 0.39 -5.31 -0.09 0.00 -1.84 0.00 0.00 35.03 28.18 3ml9 n LYS 875 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3ml9 s ILE 876 N -2.52 0.05 -0.81 -0.18 2.07 -0.91 -0.66 121.20 118.24 3ml9 s ILE 876 Ca 0.00 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 3ml9 s ILE 876 Cb 0.00 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.06 3ml9 s ILE 876 CO 0.00 -0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.42 3ml9 n GLY 877 N 1.69 -1.12 3.54 1.50 0.00 -0.95 -1.91 105.19 107.94 3ml9 n GLY 877 Ca -0.20 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 3ml9 n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ml9 s MET 878 N -0.32 1.90 -0.00 1.61 0.23 -0.78 -1.67 119.30 120.27 3ml9 s MET 878 Ca 0.00 -1.70 0.01 0.00 -1.03 0.00 0.00 55.69 52.97 3ml9 s MET 878 Cb 0.00 -1.88 -0.00 0.00 -1.53 0.00 0.00 34.83 31.42 3ml9 s MET 878 CO 0.00 0.29 -0.04 0.42 -2.03 0.00 0.00 175.02 173.66 3ml9 s ILE 879 N -2.48 0.30 0.49 3.16 1.01 0.02 -1.88 121.20 121.81 3ml9 s ILE 879 Ca 0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3ml9 s ILE 879 Cb -0.04 -0.26 -0.07 0.00 0.01 0.00 0.00 42.46 42.10 3ml9 s ILE 879 CO 0.17 0.07 1.16 -0.70 0.00 0.00 0.00 174.94 175.63 3ml9 s GLU 880 N -0.14 3.60 -0.23 2.79 2.12 -0.61 0.13 118.70 126.36 3ml9 s GLU 880 Ca 0.01 1.73 -0.10 0.00 0.36 0.00 0.00 54.97 56.97 3ml9 s GLU 880 Cb -0.02 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 3ml9 s GLU 880 CO -0.00 -0.67 0.15 0.42 -0.54 0.00 0.00 175.26 174.61 3ml9 s ILE 881 N -1.61 5.34 0.19 -3.70 1.01 0.49 -4.75 121.20 118.17 3ml9 s ILE 881 Ca 0.67 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 3ml9 s ILE 881 Cb -0.27 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 3ml9 s ILE 881 CO 0.32 0.37 0.99 -0.69 0.00 0.00 0.00 174.94 175.93 3ml9 s VAL 882 N 0.86 4.14 0.36 2.92 1.01 -1.26 -4.70 120.40 123.73 3ml9 s VAL 882 Ca 0.07 1.96 -0.24 0.00 0.00 0.00 0.00 61.98 63.77 3ml9 s VAL 882 Cb -0.13 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 3ml9 s VAL 882 CO 0.03 0.39 0.95 -0.54 0.00 0.00 0.00 175.10 175.93 3ml9 s LYS 883 N -0.65 4.44 -1.07 2.72 -0.14 -1.26 -4.22 119.74 119.56 3ml9 s LYS 883 Ca 0.45 1.27 -0.05 0.00 -1.36 0.00 0.00 55.97 56.28 3ml9 s LYS 883 Cb -0.26 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.32 3ml9 s LYS 883 CO 0.32 0.15 0.92 -0.25 -0.76 0.00 0.00 175.35 175.73 3ml9 n ASP 884 N 0.12 -4.55 -3.95 2.83 9.92 -1.26 -4.79 116.55 114.87 3ml9 n ASP 884 Ca 0.04 -0.46 -0.20 0.00 -0.53 0.00 0.00 54.79 53.64 3ml9 n ASP 884 Cb 0.51 -4.21 -0.16 0.00 -0.64 0.00 0.00 41.12 36.62 3ml9 n ASP 884 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ml9 s ALA 885 N -3.27 0.74 0.39 2.24 0.00 -1.26 -0.74 121.76 119.87 3ml9 s ALA 885 Ca 0.34 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.17 3ml9 s ALA 885 Cb -0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 3ml9 s ALA 885 CO 0.59 0.08 0.09 0.95 0.00 0.00 0.00 175.76 177.48 3ml9 s THR 886 N 0.44 2.30 0.67 0.00 -4.23 -1.03 -4.95 115.64 108.85 3ml9 s THR 886 Ca -0.06 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 3ml9 s THR 886 Cb -0.10 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.79 3ml9 s THR 886 CO 0.00 -0.05 1.20 -0.89 -0.54 0.00 0.00 174.62 174.34 3ml9 s THR 887 N -2.61 2.54 0.28 3.99 2.01 -1.26 -1.39 115.64 119.19 3ml9 s THR 887 Ca 0.38 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.71 3ml9 s THR 887 Cb 0.05 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.64 3ml9 s THR 887 CO 0.21 -0.12 1.67 0.40 -0.69 0.00 0.00 174.62 176.09 3ml9 h ILE 888 N 0.19 1.31 -0.15 1.82 1.08 -1.25 -2.71 117.51 117.81 3ml9 h ILE 888 Ca -0.49 -1.56 -0.11 0.00 -0.39 0.00 0.00 64.86 62.31 3ml9 h ILE 888 Cb 1.29 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 3ml9 h ILE 888 CO 0.52 0.47 -0.40 0.00 -0.69 0.00 0.00 178.15 178.06 3ml9 h ALA 889 N 1.31 1.05 -0.10 1.87 0.00 -1.76 -1.90 119.26 119.73 3ml9 h ALA 889 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3ml9 h ALA 889 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ml9 h ALA 889 CO 0.07 0.60 -0.58 -0.22 0.00 0.00 0.00 179.25 179.12 3ml9 h LYS 890 N 0.28 0.31 -0.22 0.00 3.64 -1.86 0.32 116.57 119.04 3ml9 h LYS 890 Ca 0.03 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 3ml9 h LYS 890 Cb 0.82 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3ml9 h LYS 890 CO 0.07 0.80 -0.29 0.82 -2.27 0.00 0.00 179.45 178.57 3ml9 h ILE 891 N 0.23 1.27 0.09 2.00 2.04 -1.15 -1.40 117.51 120.59 3ml9 h ILE 891 Ca -0.00 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 3ml9 h ILE 891 Cb 1.08 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3ml9 h ILE 891 CO 0.09 0.42 -0.04 1.56 0.00 0.00 0.00 178.15 180.18 3ml9 h GLN 892 N 0.38 -0.11 0.00 2.37 1.08 -1.12 -3.23 115.11 114.47 3ml9 h GLN 892 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3ml9 h GLN 892 Cb 0.71 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3ml9 h GLN 892 CO 0.05 0.41 0.10 0.94 -0.95 0.00 0.00 178.83 179.39 3ml9 n GLN 893 N -4.85 0.12 0.17 1.46 0.00 0.11 -0.99 117.38 113.41 3ml9 n GLN 893 Ca -0.08 0.61 0.04 0.00 -0.00 0.00 0.00 57.00 57.57 3ml9 n GLN 893 Cb 0.29 -2.01 0.28 0.00 0.00 0.00 0.00 30.24 28.81 3ml9 n GLN 893 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3ml9 h SER 894 N 0.00 0.00 0.00 1.69 0.87 -1.27 -2.14 113.55 112.69 3ml9 h SER 894 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3ml9 h SER 894 Cb 0.21 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.91 3ml9 h SER 894 CO 0.00 0.44 -0.84 0.35 -0.53 0.00 0.00 176.83 176.24 3ml9 n THR 895 N -3.58 0.14 0.00 2.23 -2.24 -0.16 -4.76 114.28 105.92 3ml9 n THR 895 Ca -0.00 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3ml9 n THR 895 Cb 0.54 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3ml9 n THR 895 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ml9 n VAL 896 N 0.24 0.00 -2.83 2.28 0.31 -0.86 -5.00 118.33 112.47 3ml9 n VAL 896 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 3ml9 n VAL 896 Cb 0.99 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.93 3ml9 n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ml9 n GLY 897 N -0.06 -1.89 3.35 2.92 0.00 -0.81 -4.53 105.19 104.18 3ml9 n GLY 897 Ca 0.00 1.12 -0.21 0.00 0.00 0.00 0.00 46.02 46.92 3ml9 n GLY 897 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ml9 n ASN 898 N -0.11 -6.30 0.12 1.61 4.13 -1.26 -4.89 115.26 108.55 3ml9 n ASN 898 Ca 0.10 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3ml9 n ASN 898 Cb 0.37 -3.17 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 3ml9 n ASN 898 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3ml9 n THR 899 N -1.14 0.00 0.00 3.41 -1.04 -1.26 -5.03 114.28 109.21 3ml9 n THR 899 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3ml9 n THR 899 Cb 0.60 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3ml9 n THR 899 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ml9 n GLY 900 N -0.63 1.66 1.64 3.41 0.00 -1.26 -4.96 105.19 105.05 3ml9 n GLY 900 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ml9 n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml9 n ALA 901 N 0.00 1.85 -1.57 4.61 0.00 -1.26 -4.87 120.51 119.27 3ml9 n ALA 901 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 3ml9 n ALA 901 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 3ml9 n ALA 901 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ml9 n PHE 902 N 1.61 1.30 -4.02 0.00 0.99 -1.26 -4.92 117.46 111.16 3ml9 n PHE 902 Ca 0.00 0.70 -0.34 0.00 -0.00 0.00 0.00 57.45 57.81 3ml9 n PHE 902 Cb 0.08 -2.28 -0.15 0.00 -1.00 0.00 0.00 39.48 36.14 3ml9 n PHE 902 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3ml9 s LYS 903 N 0.03 3.03 0.63 -1.08 1.02 -1.26 -5.00 119.74 117.12 3ml9 s LYS 903 Ca 0.79 -0.83 0.19 0.00 0.02 0.00 0.00 55.97 56.15 3ml9 s LYS 903 Cb -0.93 -2.80 1.02 0.00 -0.52 0.00 0.00 37.83 34.59 3ml9 s LYS 903 CO 0.50 -0.26 1.56 -0.44 -0.92 0.00 0.00 175.35 175.79 3ml9 h ASP 904 N 8.00 0.00 -0.11 2.83 3.45 -1.91 -1.17 116.42 127.51 3ml9 h ASP 904 Ca -0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3ml9 h ASP 904 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3ml9 h ASP 904 CO 0.61 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.66 3ml9 n GLU 905 N -2.68 1.68 0.08 3.56 1.02 -1.26 -3.78 120.64 119.26 3ml9 n GLU 905 Ca -0.01 -1.69 -0.04 0.00 -0.02 0.00 0.00 57.16 55.40 3ml9 n GLU 905 Cb 0.58 -1.35 0.14 0.00 -0.02 0.00 0.00 31.44 30.79 3ml9 n GLU 905 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ml9 h VAL 906 N 3.45 1.37 0.04 2.62 2.07 -1.57 -3.01 116.25 121.22 3ml9 h VAL 906 Ca 0.00 -1.87 -0.17 0.00 0.82 0.00 0.00 66.70 65.48 3ml9 h VAL 906 Cb 0.76 1.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3ml9 h VAL 906 CO 0.00 0.55 -0.69 0.25 0.02 0.00 0.00 177.57 177.70 3ml9 h LEU 907 N 0.19 0.54 -2.19 2.57 6.46 -1.83 -2.11 115.31 118.94 3ml9 h LEU 907 Ca 0.00 -0.82 -0.01 0.00 -0.12 0.00 0.00 57.88 56.94 3ml9 h LEU 907 Cb 1.04 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3ml9 h LEU 907 CO 0.09 1.29 -0.05 -1.13 -0.62 0.00 0.00 178.44 178.02 3ml9 h ASN 908 N -0.15 0.00 0.69 1.25 -0.73 -1.83 0.50 115.58 115.31 3ml9 h ASN 908 Ca -0.10 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.81 3ml9 h ASN 908 Cb 1.44 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.00 3ml9 h ASN 908 CO 0.13 0.05 -1.33 -0.74 -0.37 0.00 0.00 177.43 175.17 3ml9 h HIS 909 N 0.00 0.20 -0.17 0.67 2.76 -1.47 -2.81 115.15 114.33 3ml9 h HIS 909 Ca -0.00 -0.15 -0.14 0.00 -2.20 0.00 0.00 60.37 57.88 3ml9 h HIS 909 Cb 0.25 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3ml9 h HIS 909 CO 0.00 1.16 -0.51 2.35 -1.30 0.00 0.00 177.93 179.63 3ml9 h TRP 910 N 0.03 0.58 -0.02 5.26 7.01 -0.48 0.20 115.95 128.53 3ml9 h TRP 910 Ca -0.15 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.65 3ml9 h TRP 910 Cb 1.92 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.86 3ml9 h TRP 910 CO 0.03 0.88 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.48 3ml9 h LEU 911 N 0.37 0.04 -1.22 0.65 3.38 -1.03 -2.73 115.31 114.76 3ml9 h LEU 911 Ca 0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3ml9 h LEU 911 Cb 1.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3ml9 h LEU 911 CO 0.09 0.46 0.34 0.50 0.09 0.00 0.00 178.44 179.92 3ml9 h LYS 912 N -0.38 0.88 -0.09 1.13 1.63 -1.50 -1.62 116.57 116.61 3ml9 h LYS 912 Ca 0.00 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3ml9 h LYS 912 Cb 0.45 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3ml9 h LYS 912 CO 0.00 0.65 0.16 1.49 -3.45 0.00 0.00 179.45 178.30 3ml9 h GLU 913 N 0.88 0.00 -0.04 1.90 4.81 -0.77 -2.84 114.58 118.52 3ml9 h GLU 913 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3ml9 h GLU 913 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ml9 h GLU 913 CO -0.04 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.87 3ml9 n LYS 914 N -3.45 0.73 -3.65 1.92 4.76 -0.65 -4.97 118.16 112.84 3ml9 n LYS 914 Ca -0.01 -1.05 -0.38 0.00 -2.87 0.00 0.00 58.31 54.00 3ml9 n LYS 914 Cb 0.25 -1.07 -0.12 0.00 -1.84 0.00 0.00 35.03 32.26 3ml9 n LYS 914 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3ml9 s SER 915 N -0.54 5.59 0.48 4.39 0.01 -0.95 -4.97 113.70 117.70 3ml9 s SER 915 Ca 0.05 -0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.05 3ml9 s SER 915 Cb 0.03 -2.02 1.14 0.00 0.21 0.00 0.00 66.02 65.38 3ml9 s SER 915 CO 0.05 -0.15 2.12 -0.65 0.41 0.00 0.00 173.24 175.01 3ml9 h PRO 916 N 8.35 0.17 -4.95 12.44 0.11 -1.93 -3.43 132.00 142.76 3ml9 h PRO 916 Ca -0.33 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.45 3ml9 h PRO 916 Cb 1.16 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 3ml9 h PRO 916 CO 0.60 0.11 -0.73 0.95 -0.21 0.00 0.00 178.00 178.73 3ml9 s THR 917 N -5.20 0.94 -0.23 -1.15 -4.23 -1.26 -5.00 115.64 99.52 3ml9 s THR 917 Ca -0.06 -1.70 0.27 0.00 -1.18 0.00 0.00 61.69 59.02 3ml9 s THR 917 Cb 0.17 -1.42 0.29 0.00 1.34 0.00 0.00 72.50 72.88 3ml9 s THR 917 CO 0.69 -0.60 1.81 -0.08 -0.54 0.00 0.00 174.62 175.91 3ml9 h GLU 918 N 3.45 0.00 0.03 3.99 4.22 -1.98 0.77 114.58 125.07 3ml9 h GLU 918 Ca -0.37 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.07 3ml9 h GLU 918 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ml9 h GLU 918 CO 0.55 0.00 -0.01 1.49 -2.18 0.00 0.00 179.01 178.85 3ml9 h GLU 919 N 0.00 -0.04 -0.75 1.92 4.81 -1.96 0.38 114.58 118.94 3ml9 h GLU 919 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3ml9 h GLU 919 Cb 0.33 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3ml9 h GLU 919 CO 0.00 0.63 0.49 0.87 -0.73 0.00 0.00 179.01 180.27 3ml9 h LYS 920 N -0.79 0.74 -0.58 1.92 1.57 -1.91 -2.41 116.57 115.11 3ml9 h LYS 920 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3ml9 h LYS 920 Cb 0.69 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3ml9 h LYS 920 CO 0.01 0.49 0.06 0.35 -0.57 0.00 0.00 179.45 179.79 3ml9 h PHE 921 N 0.76 1.06 -0.66 -1.35 3.57 -0.72 -0.93 116.94 118.67 3ml9 h PHE 921 Ca 0.33 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3ml9 h PHE 921 Cb 0.29 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3ml9 h PHE 921 CO -0.00 0.93 0.27 1.96 -2.23 0.00 0.00 178.31 179.24 3ml9 h GLN 922 N 0.88 0.96 -0.43 1.11 1.08 -0.61 -1.82 115.11 116.27 3ml9 h GLN 922 Ca 0.17 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 3ml9 h GLN 922 Cb 0.47 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3ml9 h GLN 922 CO 0.02 0.78 -0.25 0.00 -0.95 0.00 0.00 178.83 178.43 3ml9 h ALA 923 N 1.35 0.74 0.00 3.87 0.00 -1.01 0.12 119.26 124.34 3ml9 h ALA 923 Ca 0.22 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ml9 h ALA 923 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ml9 h ALA 923 CO -0.02 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 3ml9 h ALA 924 N 0.94 1.07 0.13 0.00 0.00 -0.84 0.67 119.26 121.23 3ml9 h ALA 924 Ca 0.10 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 3ml9 h ALA 924 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3ml9 h ALA 924 CO 0.07 0.08 -1.61 0.28 0.00 0.00 0.00 179.25 178.07 3ml9 h VAL 925 N 0.00 1.07 -0.16 0.00 2.07 -0.52 -2.39 116.25 116.32 3ml9 h VAL 925 Ca -0.00 -2.71 -0.01 0.00 0.82 0.00 0.00 66.70 64.81 3ml9 h VAL 925 Cb 0.42 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3ml9 h VAL 925 CO 0.01 0.82 0.08 -0.08 0.02 0.00 0.00 177.57 178.41 3ml9 h GLU 926 N 0.07 0.22 0.00 1.57 4.57 -0.22 -2.03 114.58 118.77 3ml9 h GLU 926 Ca -0.28 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 3ml9 h GLU 926 Cb 2.04 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.58 3ml9 h GLU 926 CO 0.16 0.26 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.11 3ml9 h ARG 927 N 0.13 0.00 -0.01 1.92 2.43 0.26 -2.69 114.38 116.42 3ml9 h ARG 927 Ca 0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3ml9 h ARG 927 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3ml9 h ARG 927 CO -0.01 0.05 -0.16 0.35 -1.51 0.00 0.00 179.97 178.69 3ml9 h PHE 928 N 0.00 0.17 -0.36 2.20 3.57 -1.05 -2.02 116.94 119.46 3ml9 h PHE 928 Ca -0.00 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.44 3ml9 h PHE 928 Cb 0.34 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3ml9 h PHE 928 CO 0.00 0.87 0.15 0.28 -2.23 0.00 0.00 178.31 177.38 3ml9 h VAL 929 N -0.57 0.94 0.68 1.41 2.07 -1.10 0.21 116.25 119.90 3ml9 h VAL 929 Ca -0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3ml9 h VAL 929 Cb 0.91 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ml9 h VAL 929 CO 0.03 0.06 -0.33 1.88 0.02 0.00 0.00 177.57 179.23 3ml9 h TYR 930 N 0.32 -0.85 -0.82 1.57 0.05 -1.59 -1.73 116.97 113.92 3ml9 h TYR 930 Ca 0.16 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.94 3ml9 h TYR 930 Cb 0.10 0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 3ml9 h TYR 930 CO -0.12 -0.50 0.53 0.66 -1.05 0.00 0.00 178.16 177.68 3ml9 h SER 931 N -1.02 0.91 -0.46 3.88 4.64 -1.14 0.57 113.55 120.92 3ml9 h SER 931 Ca -0.09 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 3ml9 h SER 931 Cb 0.73 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3ml9 h SER 931 CO 0.15 0.64 -0.24 0.00 -0.87 0.00 0.00 176.83 176.52 3ml9 h ALA 933 N 0.85 -0.00 -0.92 0.00 0.00 -0.64 -1.38 119.26 117.17 3ml9 h ALA 933 Ca 0.10 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.11 3ml9 h ALA 933 Cb 0.82 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 3ml9 h ALA 933 CO 0.07 -0.39 0.45 0.78 0.00 0.00 0.00 179.25 180.16 3ml9 h GLY 934 N -0.23 1.61 1.98 0.00 0.00 0.36 0.14 103.07 106.93 3ml9 h GLY 934 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3ml9 h GLY 934 CO 0.00 -0.23 -0.28 -0.97 0.00 0.00 0.00 176.54 175.07 3ml9 h TYR 935 N 0.48 0.00 -0.22 5.60 -1.99 -1.00 -2.90 116.97 116.94 3ml9 h TYR 935 Ca 0.57 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.25 3ml9 h TYR 935 Cb 1.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 3ml9 h TYR 935 CO -0.10 0.26 -0.06 0.00 -0.00 0.00 0.00 178.16 178.26 3ml9 h VAL 937 N 0.16 0.95 -0.38 0.00 2.07 -1.40 -1.29 116.25 116.37 3ml9 h VAL 937 Ca 0.06 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3ml9 h VAL 937 Cb 0.52 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3ml9 h VAL 937 CO 0.02 0.18 0.20 0.00 0.02 0.00 0.00 177.57 178.00 3ml9 h ALA 938 N 0.07 0.49 -0.56 1.67 0.00 -1.61 0.50 119.26 119.81 3ml9 h ALA 938 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ml9 h ALA 938 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ml9 h ALA 938 CO 0.04 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.61 3ml9 h THR 939 N 0.48 1.18 -0.03 0.00 1.03 -1.32 -1.21 112.91 113.04 3ml9 h THR 939 Ca 0.13 -0.46 -0.05 0.00 -0.01 0.00 0.00 66.41 66.03 3ml9 h THR 939 Cb 0.07 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.58 3ml9 h THR 939 CO -0.02 0.20 -0.17 0.15 -0.01 0.00 0.00 175.52 175.67 3ml9 h PHE 940 N 0.78 0.23 -0.34 0.00 3.57 -0.16 -0.64 116.94 120.37 3ml9 h PHE 940 Ca 0.20 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.66 3ml9 h PHE 940 Cb 0.04 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3ml9 h PHE 940 CO 0.01 0.82 -0.06 0.28 -2.23 0.00 0.00 178.31 177.12 3ml9 h VAL 941 N -0.43 0.68 0.00 1.41 2.07 -0.83 -1.66 116.25 117.50 3ml9 h VAL 941 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3ml9 h VAL 941 Cb 0.84 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ml9 h VAL 941 CO 0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.81 3ml9 n LEU 942 N -5.25 0.00 -2.95 2.57 4.77 -0.47 -4.74 117.00 110.93 3ml9 n LEU 942 Ca 0.01 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 3ml9 n LEU 942 Cb 0.19 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3ml9 n LEU 942 CO 0.18 -0.04 0.18 0.61 -1.33 0.00 0.00 177.39 176.99 3ml9 n GLY 943 N 0.58 -0.23 1.89 -0.72 0.00 -0.62 -4.92 105.19 101.17 3ml9 n GLY 943 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ml9 n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ml9 n ILE 944 N -4.34 0.91 0.16 -0.61 -5.35 -0.33 -4.88 119.36 104.92 3ml9 n ILE 944 Ca -0.03 -2.19 0.12 0.00 -0.27 0.00 0.00 62.75 60.38 3ml9 n ILE 944 Cb 0.56 0.77 0.08 0.00 -1.74 0.00 0.00 39.64 39.31 3ml9 n ILE 944 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3ml9 h GLY 945 N 1.65 0.00 -7.23 3.28 0.00 -1.65 -3.42 103.07 95.70 3ml9 h GLY 945 Ca -0.12 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.59 3ml9 h GLY 945 CO 0.17 0.00 1.26 -0.35 0.00 0.00 0.00 176.54 177.62 3ml9 s ASP 946 N -5.77 6.51 0.01 0.19 -1.08 -1.26 -2.99 116.67 112.29 3ml9 s ASP 946 Ca 0.03 -1.55 0.07 0.00 -0.52 0.00 0.00 52.55 50.58 3ml9 s ASP 946 Cb 0.07 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 3ml9 s ASP 946 CO 0.73 -1.40 -0.21 -0.13 0.52 0.00 0.00 175.17 174.68 3ml9 s ARG 947 N 4.33 1.59 0.40 4.34 1.81 -1.26 -5.06 118.95 125.10 3ml9 s ARG 947 Ca 0.41 -0.86 -0.27 0.00 -1.72 0.00 0.00 55.73 53.29 3ml9 s ARG 947 Cb -0.02 -1.63 -0.10 0.00 -0.45 0.00 0.00 34.95 32.75 3ml9 s ARG 947 CO -0.08 0.43 1.38 -2.39 -0.68 0.00 0.00 175.30 173.96 3ml9 n HIS 948 N 2.20 2.55 0.31 -0.53 -0.00 -1.26 -4.90 115.22 113.59 3ml9 n HIS 948 Ca -0.16 0.48 0.19 0.00 -0.00 0.00 0.00 57.72 58.23 3ml9 n HIS 948 Cb 0.53 -2.45 0.97 0.00 -0.00 0.00 0.00 29.99 29.03 3ml9 n HIS 948 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 3ml9 h ASN 949 N 2.47 0.00 1.18 4.39 -0.73 -1.95 -1.35 115.58 119.59 3ml9 h ASN 949 Ca -0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.68 3ml9 h ASN 949 Cb 1.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.86 3ml9 h ASN 949 CO 0.62 0.03 0.00 -0.67 -0.37 0.00 0.00 177.43 177.03 3ml9 n ASP 950 N -3.27 0.53 -0.99 1.15 2.03 -1.26 -3.01 116.55 111.72 3ml9 n ASP 950 Ca -0.02 0.56 0.08 0.00 0.52 0.00 0.00 54.79 55.93 3ml9 n ASP 950 Cb 0.16 -0.70 0.26 0.00 -0.72 0.00 0.00 41.12 40.12 3ml9 n ASP 950 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ml9 n ASN 951 N -2.01 3.89 -4.22 1.67 5.03 -0.51 -4.85 115.26 114.26 3ml9 n ASN 951 Ca 0.05 -2.67 -0.32 0.00 0.87 0.00 0.00 54.58 52.51 3ml9 n ASN 951 Cb 0.36 -0.48 -0.17 0.00 -1.02 0.00 0.00 39.78 38.48 3ml9 n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ml9 s ILE 952 N -2.21 2.16 0.46 2.41 1.01 -1.20 -1.96 121.20 121.87 3ml9 s ILE 952 Ca 0.39 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 60.12 3ml9 s ILE 952 Cb 0.29 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3ml9 s ILE 952 CO 0.13 0.55 0.08 -0.04 0.00 0.00 0.00 174.94 175.66 3ml9 s MET 953 N 0.52 2.12 0.05 2.79 -1.94 0.17 -1.07 119.30 121.95 3ml9 s MET 953 Ca -0.14 -2.16 -0.21 0.00 -1.71 0.00 0.00 55.69 51.48 3ml9 s MET 953 Cb -0.17 -1.71 0.05 0.00 2.01 0.00 0.00 34.83 35.01 3ml9 s MET 953 CO 0.05 -0.23 0.48 -1.50 -0.01 0.00 0.00 175.02 173.81 3ml9 s ILE 954 N -2.76 0.04 0.22 2.53 2.07 -0.49 -1.88 121.20 120.94 3ml9 s ILE 954 Ca 0.25 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 59.22 3ml9 s ILE 954 Cb 0.05 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 3ml9 s ILE 954 CO 0.14 -0.17 0.35 0.42 -1.91 0.00 0.00 174.94 173.76 3ml9 s THR 955 N -2.48 5.27 -1.76 4.00 -4.23 0.95 -2.45 115.64 114.94 3ml9 s THR 955 Ca -0.05 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3ml9 s THR 955 Cb -0.01 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3ml9 s THR 955 CO -0.02 -0.29 0.19 -0.62 -0.54 0.00 0.00 174.62 173.35 3ml9 n GLU 956 N -1.25 0.22 -0.08 3.99 1.02 0.08 -0.79 120.64 123.83 3ml9 n GLU 956 Ca -0.09 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.06 3ml9 n GLU 956 Cb 0.56 -1.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.97 3ml9 n GLU 956 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3ml9 n THR 957 N -0.29 0.37 0.00 2.62 5.66 -1.26 -4.78 114.28 116.60 3ml9 n THR 957 Ca 0.00 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 3ml9 n THR 957 Cb 0.01 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 3ml9 n THR 957 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ml9 n GLY 958 N -0.22 2.54 3.71 1.09 0.00 0.03 -4.25 105.19 108.10 3ml9 n GLY 958 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ml9 n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ml9 s ASN 959 N -1.43 7.08 0.09 1.61 3.84 -1.26 -3.29 114.94 121.57 3ml9 s ASN 959 Ca 0.00 2.02 0.05 0.00 0.21 0.00 0.00 52.86 55.14 3ml9 s ASN 959 Cb 0.00 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 3ml9 s ASN 959 CO 0.00 -0.46 -0.03 -0.22 -2.79 0.00 0.00 177.10 173.60 3ml9 s LEU 960 N 1.00 3.34 -0.14 3.21 2.96 -1.26 -0.03 118.68 127.76 3ml9 s LEU 960 Ca 0.58 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 3ml9 s LEU 960 Cb -0.29 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 44.40 3ml9 s LEU 960 CO 0.29 0.19 0.71 0.72 -1.32 0.00 0.00 176.35 176.94 3ml9 s PHE 961 N -1.26 -0.70 0.57 5.38 -0.12 -0.79 -4.48 117.98 116.58 3ml9 s PHE 961 Ca 0.24 1.42 -0.08 0.00 -0.05 0.00 0.00 56.93 58.46 3ml9 s PHE 961 Cb -0.11 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 3ml9 s PHE 961 CO 0.16 -0.51 0.91 -1.01 -0.05 0.00 0.00 175.22 174.73 3ml9 s HIS 962 N -0.57 3.51 0.13 3.49 3.76 -1.26 -0.65 115.29 123.69 3ml9 s HIS 962 Ca -0.06 0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 55.74 3ml9 s HIS 962 Cb -0.02 -2.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.06 3ml9 s HIS 962 CO 0.06 -0.60 0.17 0.96 -0.85 0.00 0.00 174.74 174.49 3ml9 s ILE 963 N -2.99 0.11 -1.10 0.60 -4.36 -0.83 -4.90 121.20 107.74 3ml9 s ILE 963 Ca 0.52 -1.51 -0.05 0.00 -0.26 0.00 0.00 60.65 59.35 3ml9 s ILE 963 Cb -0.11 -1.74 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 3ml9 s ILE 963 CO 0.48 -0.50 0.93 -0.67 0.24 0.00 0.00 174.94 175.43 3ml9 n ASP 964 N -0.11 -5.35 0.18 4.36 -0.08 -1.26 -4.84 116.55 109.45 3ml9 n ASP 964 Ca -0.09 -0.70 0.04 0.00 -1.51 0.00 0.00 54.79 52.53 3ml9 n ASP 964 Cb 0.63 -5.13 0.32 0.00 2.34 0.00 0.00 41.12 39.27 3ml9 n ASP 964 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3ml9 h PHE 965 N -1.33 0.00 0.00 -0.67 -1.00 -1.94 -2.56 116.94 109.45 3ml9 h PHE 965 Ca -0.61 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.17 3ml9 h PHE 965 Cb 1.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.88 3ml9 h PHE 965 CO 0.34 0.41 0.00 0.78 -1.61 0.00 0.00 178.31 178.23 3ml9 h GLY 966 N 1.93 0.00 0.83 -1.45 0.00 -1.90 -2.85 103.07 99.63 3ml9 h GLY 966 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3ml9 h GLY 966 CO 0.05 0.00 -0.73 0.84 0.00 0.00 0.00 176.54 176.71 3ml9 h HIS 967 N 0.00 0.66 0.05 5.60 6.17 -1.83 -0.64 115.15 125.16 3ml9 h HIS 967 Ca 0.00 -0.39 -0.26 0.00 0.71 0.00 0.00 60.37 60.44 3ml9 h HIS 967 Cb 0.02 -0.06 0.01 0.00 2.52 0.00 0.00 27.41 29.90 3ml9 h HIS 967 CO 0.00 1.23 -1.08 -0.84 0.71 0.00 0.00 177.93 177.95 3ml9 h ILE 968 N -0.09 1.37 -0.32 6.26 -2.65 -1.72 -3.20 117.51 117.16 3ml9 h ILE 968 Ca -0.10 -2.52 -0.04 0.00 1.03 0.00 0.00 64.86 63.23 3ml9 h ILE 968 Cb 1.46 2.57 -0.01 0.00 -2.05 0.00 0.00 36.82 38.78 3ml9 h ILE 968 CO 0.14 0.76 0.05 -0.07 0.03 0.00 0.00 178.15 179.06 3ml9 h LEU 969 N 0.24 0.51 -3.41 0.16 3.38 -1.58 -3.06 115.31 111.56 3ml9 h LEU 969 Ca -0.12 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 3ml9 h LEU 969 Cb 1.74 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.28 3ml9 h LEU 969 CO 0.19 0.64 0.15 0.61 0.09 0.00 0.00 178.44 180.13 3ml9 n GLY 970 N -0.47 3.19 0.33 0.83 0.00 -0.25 -3.75 105.19 105.07 3ml9 n GLY 970 Ca -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 3ml9 n GLY 970 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ml9 n ASN 971 N 0.16 2.51 -4.42 1.61 5.03 -1.21 -4.98 115.26 113.96 3ml9 n ASN 971 Ca 0.32 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.49 3ml9 n ASN 971 Cb 1.21 -0.07 0.27 0.00 -1.02 0.00 0.00 39.78 40.17 3ml9 n ASN 971 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ml9 s TYR 972 N -2.06 1.18 0.00 3.10 4.12 -1.16 -5.13 117.35 117.40 3ml9 s TYR 972 Ca -0.04 1.12 0.00 0.00 0.02 0.00 0.00 57.07 58.17 3ml9 s TYR 972 Cb 0.01 -3.06 0.00 0.00 -1.52 0.00 0.00 41.96 37.39 3ml9 s TYR 972 CO 0.07 -4.09 0.00 0.39 0.02 0.00 0.00 175.55 171.94 3ml9 n GLU 981 N -5.07 0.00 -3.72 -0.62 -0.58 -1.26 -4.82 120.64 104.57 3ml9 n GLU 981 Ca 0.03 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.63 3ml9 n GLU 981 Cb 0.54 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.34 3ml9 n GLU 981 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3ml9 s ARG 982 N 0.00 0.76 0.10 3.49 3.00 -1.26 -4.98 118.95 120.06 3ml9 s ARG 982 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 55.73 55.62 3ml9 s ARG 982 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 34.95 35.26 3ml9 s ARG 982 CO 0.00 -0.22 -0.20 0.54 0.00 0.00 0.00 175.30 175.41 3ml9 s VAL 983 N -1.58 1.68 -0.02 3.52 0.11 -1.26 -5.03 120.40 117.81 3ml9 s VAL 983 Ca -0.11 -1.52 -0.26 0.00 -2.93 0.00 0.00 61.98 57.16 3ml9 s VAL 983 Cb -0.04 -1.53 -0.20 0.00 -1.53 0.00 0.00 36.38 33.09 3ml9 s VAL 983 CO 0.03 -0.06 1.24 1.55 -3.33 0.00 0.00 175.10 174.53 3ml9 h PRO 984 N 4.10 -0.03 0.00 1.54 0.13 -1.91 -3.37 132.00 132.45 3ml9 h PRO 984 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 3ml9 h PRO 984 Cb 1.18 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3ml9 h PRO 984 CO 0.40 0.45 -0.24 1.97 -0.23 0.00 0.00 178.00 180.34 3ml9 n PHE 985 N -4.87 0.04 -3.42 1.56 1.16 -1.26 -3.96 117.46 106.71 3ml9 n PHE 985 Ca -0.08 -1.35 -0.44 0.00 -1.87 0.00 0.00 57.45 53.70 3ml9 n PHE 985 Cb 0.25 0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 38.06 3ml9 n PHE 985 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3ml9 s VAL 986 N -2.35 4.94 -0.25 1.97 1.01 -1.16 -4.79 120.40 119.77 3ml9 s VAL 986 Ca 0.11 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3ml9 s VAL 986 Cb 0.01 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.42 3ml9 s VAL 986 CO 0.08 -0.66 0.04 -0.22 0.00 0.00 0.00 175.10 174.34 3ml9 s LEU 987 N 1.56 2.06 0.35 3.92 2.96 -1.26 -4.95 118.68 123.32 3ml9 s LEU 987 Ca 0.04 -1.26 0.09 0.00 -0.22 0.00 0.00 54.13 52.77 3ml9 s LEU 987 Cb -0.26 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 3ml9 s LEU 987 CO 0.04 -0.33 0.07 0.42 -1.32 0.00 0.00 176.35 175.23 3ml9 s THR 988 N 1.62 2.74 0.40 3.68 -4.23 -1.26 -4.56 115.64 114.03 3ml9 s THR 988 Ca 0.02 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 3ml9 s THR 988 Cb -0.18 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.09 3ml9 s THR 988 CO -0.14 -0.17 1.98 -0.65 -0.54 0.00 0.00 174.62 175.10 3ml9 h PRO 989 N 1.68 0.53 -0.05 3.99 0.11 -1.93 0.16 132.00 136.49 3ml9 h PRO 989 Ca -0.43 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3ml9 h PRO 989 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3ml9 h PRO 989 CO 0.66 0.35 -0.57 0.38 -0.21 0.00 0.00 178.00 178.62 3ml9 h ASP 990 N 0.55 0.18 -0.05 -2.05 3.04 -1.89 -0.01 116.42 116.20 3ml9 h ASP 990 Ca 0.28 -0.10 -0.03 0.00 -3.24 0.00 0.00 57.03 53.94 3ml9 h ASP 990 Cb 0.37 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 38.61 3ml9 h ASP 990 CO -0.08 0.71 -0.08 -0.26 -2.04 0.00 0.00 179.24 177.49 3ml9 h PHE 991 N 0.13 0.18 -0.81 4.15 -1.00 -1.07 -2.72 116.94 115.79 3ml9 h PHE 991 Ca -0.00 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.72 3ml9 h PHE 991 Cb 1.04 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.52 3ml9 h PHE 991 CO 0.01 0.65 0.53 -0.07 -1.61 0.00 0.00 178.31 177.82 3ml9 h LEU 992 N -0.35 0.94 -1.27 1.54 3.38 -0.99 -1.64 115.31 116.92 3ml9 h LEU 992 Ca 0.00 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3ml9 h LEU 992 Cb 0.63 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3ml9 h LEU 992 CO 0.02 0.69 0.54 0.15 0.09 0.00 0.00 178.44 179.93 3ml9 h PHE 993 N 1.10 0.87 0.00 1.13 3.57 -0.94 0.55 116.94 123.22 3ml9 h PHE 993 Ca 0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3ml9 h PHE 993 Cb -0.11 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.34 3ml9 h PHE 993 CO -0.01 0.42 0.00 0.28 -2.23 0.00 0.00 178.31 176.77 3ml9 h VAL 994 N 0.83 0.00 0.00 1.41 2.07 -0.97 -2.84 116.25 116.75 3ml9 h VAL 994 Ca 0.38 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3ml9 h VAL 994 Cb 0.36 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3ml9 h VAL 994 CO -0.15 0.00 -0.82 0.23 0.02 0.00 0.00 177.57 176.85 3ml9 n MET 995 N -2.70 0.08 0.00 1.57 2.81 0.19 -4.94 117.12 114.12 3ml9 n MET 995 Ca 0.01 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3ml9 n MET 995 Cb 0.23 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3ml9 n MET 995 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ml9 n GLY 996 N 1.46 1.02 3.49 3.03 0.00 -0.91 -3.43 105.19 109.85 3ml9 n GLY 996 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3ml9 n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ml9 s THR 997 N -2.00 3.06 0.02 2.61 2.01 -1.09 -4.43 115.64 115.83 3ml9 s THR 997 Ca 0.00 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.18 3ml9 s THR 997 Cb 0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 3ml9 s THR 997 CO 0.00 0.46 -0.26 -0.55 -0.69 0.00 0.00 174.62 173.58 3ml9 s SER 998 N -1.12 3.15 0.06 3.53 0.15 -1.26 -3.17 113.70 115.03 3ml9 s SER 998 Ca 0.14 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3ml9 s SER 998 Cb -0.11 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3ml9 s SER 998 CO 0.04 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3ml9 n GLY 999 N 1.99 0.63 2.58 9.45 0.00 -1.26 -1.45 105.19 117.12 3ml9 n GLY 999 Ca -0.17 0.84 -0.27 0.00 0.00 0.00 0.00 46.02 46.42 3ml9 n GLY 999 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ml9 n LYS 1000N 0.00 2.23 0.00 1.61 4.76 -1.26 -5.00 118.16 120.51 3ml9 n LYS 1000Ca 0.00 -4.57 0.00 0.00 -2.87 0.00 0.00 58.31 50.87 3ml9 n LYS 1000Cb 0.00 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 30.95 3ml9 n LYS 1000CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3ml9 n LYS 1001N 1.26 1.46 0.00 1.97 4.81 -0.53 -5.19 118.16 121.94 3ml9 n LYS 1001Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3ml9 n LYS 1001Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 3ml9 n LYS 1001CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3ml9 n THR 1002N 0.00 0.00 -3.85 3.15 -1.04 -1.26 -4.90 114.28 106.38 3ml9 n THR 1002Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3ml9 n THR 1002Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 3ml9 n THR 1002CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ml9 s SER 1003N 0.00 -0.23 0.43 8.00 1.04 -1.26 -4.68 113.70 117.00 3ml9 s SER 1003Ca 0.00 -0.68 0.12 0.00 0.48 0.00 0.00 55.95 55.88 3ml9 s SER 1003Cb 0.00 0.74 0.95 0.00 0.10 0.00 0.00 66.02 67.81 3ml9 s SER 1003CO 0.00 -1.39 1.99 1.55 0.98 0.00 0.00 173.24 176.37 3ml9 h PRO 1004N 2.00 0.11 0.11 4.02 0.13 -1.90 -2.12 132.00 134.35 3ml9 h PRO 1004Ca -0.21 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.62 3ml9 h PRO 1004Cb 1.25 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.38 3ml9 h PRO 1004CO 0.25 0.24 -1.20 0.45 -0.23 0.00 0.00 178.00 177.51 3ml9 h HIS 1005N 0.11 0.78 -0.09 1.56 3.86 -1.96 -2.58 115.15 116.82 3ml9 h HIS 1005Ca 0.02 -0.50 -0.10 0.00 -1.16 0.00 0.00 60.37 58.63 3ml9 h HIS 1005Cb 0.28 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3ml9 h HIS 1005CO 0.00 1.36 -0.41 0.35 0.86 0.00 0.00 177.93 180.09 3ml9 h PHE 1006N 0.20 0.24 0.00 2.45 3.57 -1.55 0.56 116.94 122.41 3ml9 h PHE 1006Ca -0.16 -0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.11 3ml9 h PHE 1006Cb 1.88 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.54 3ml9 h PHE 1006CO 0.09 0.59 -0.79 1.96 -2.23 0.00 0.00 178.31 177.93 3ml9 h GLN 1007N 0.18 0.00 -0.18 1.11 4.20 -1.48 -0.36 115.11 118.58 3ml9 h GLN 1007Ca 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3ml9 h GLN 1007Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3ml9 h GLN 1007CO 0.06 0.79 0.01 -0.22 -0.67 0.00 0.00 178.83 178.80 3ml9 h LYS 1008N 0.00 0.31 0.16 1.46 3.64 -1.03 -2.78 116.57 118.33 3ml9 h LYS 1008Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ml9 h LYS 1008Cb 1.55 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.31 3ml9 h LYS 1008CO 0.10 0.51 -0.40 0.35 -2.27 0.00 0.00 179.45 177.75 3ml9 h PHE 1009N 0.08 -1.14 -0.80 1.91 3.57 0.32 -1.62 116.94 119.26 3ml9 h PHE 1009Ca 0.05 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.72 3ml9 h PHE 1009Cb 0.36 0.48 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3ml9 h PHE 1009CO 0.03 -0.47 0.53 1.96 -2.23 0.00 0.00 178.31 178.13 3ml9 h GLN 1010N -0.62 0.50 0.00 1.11 4.20 -1.14 -0.46 115.11 118.71 3ml9 h GLN 1010Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ml9 h GLN 1010Cb 0.59 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ml9 h GLN 1010CO -0.18 0.33 -0.26 -3.47 -0.67 0.00 0.00 178.83 174.58 3ml9 n ASP 1011N -4.50 0.33 0.03 1.46 2.03 -1.00 -1.58 116.55 113.32 3ml9 n ASP 1011Ca 0.15 0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.52 3ml9 n ASP 1011Cb 0.50 -0.17 -0.14 0.00 -0.72 0.00 0.00 41.12 40.59 3ml9 n ASP 1011CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ml9 h ILE 1012N 0.00 1.09 -0.41 5.18 2.04 -0.14 -3.20 117.51 122.07 3ml9 h ILE 1012Ca 0.00 -2.83 -0.02 0.00 1.00 0.00 0.00 64.86 63.01 3ml9 h ILE 1012Cb 0.55 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 3ml9 h ILE 1012CO 0.00 0.74 0.18 0.00 0.00 0.00 0.00 178.15 179.07 3ml9 h VAL 1014N 0.52 1.24 -0.51 0.00 2.07 -1.43 0.66 116.25 118.80 3ml9 h VAL 1014Ca 0.14 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3ml9 h VAL 1014Cb 0.16 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3ml9 h VAL 1014CO -0.01 0.26 0.27 0.11 0.02 0.00 0.00 177.57 178.22 3ml9 h LYS 1015N 0.20 0.72 0.51 1.57 1.57 -1.54 -1.49 116.57 118.11 3ml9 h LYS 1015Ca 0.07 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ml9 h LYS 1015Cb 0.37 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ml9 h LYS 1015CO 0.01 0.57 -0.29 0.00 -0.57 0.00 0.00 179.45 179.17 3ml9 h ALA 1016N 1.11 -0.75 -0.02 3.86 0.00 -0.38 0.33 119.26 123.42 3ml9 h ALA 1016Ca 0.18 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ml9 h ALA 1016Cb 0.07 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ml9 h ALA 1016CO -0.03 -0.93 -0.17 -0.92 0.00 0.00 0.00 179.25 177.21 3ml9 h TYR 1017N -0.74 -0.43 -0.75 0.00 3.20 0.39 -1.43 116.97 117.19 3ml9 h TYR 1017Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3ml9 h TYR 1017Cb 0.60 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 3ml9 h TYR 1017CO -0.08 -0.24 0.44 -0.07 -1.64 0.00 0.00 178.16 176.57 3ml9 h LEU 1018N -0.27 0.90 -0.78 2.82 3.38 -1.25 -2.21 115.31 117.92 3ml9 h LEU 1018Ca 0.06 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3ml9 h LEU 1018Cb 0.34 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3ml9 h LEU 1018CO -0.17 0.70 0.42 0.00 0.09 0.00 0.00 178.44 179.48 3ml9 h ALA 1019N 1.45 1.10 -0.02 1.53 0.00 0.64 -2.39 119.26 121.57 3ml9 h ALA 1019Ca 0.27 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3ml9 h ALA 1019Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ml9 h ALA 1019CO -0.05 0.01 -0.72 -0.07 0.00 0.00 0.00 179.25 178.42 3ml9 h LEU 1020N 0.69 0.14 -1.15 0.00 3.38 -0.72 -2.91 115.31 114.74 3ml9 h LEU 1020Ca 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ml9 h LEU 1020Cb 0.40 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ml9 h LEU 1020CO -0.27 0.81 0.00 0.03 0.09 0.00 0.00 178.44 179.10 3ml9 h ARG 1021N 0.08 0.00 0.00 1.13 3.08 -0.95 0.61 114.38 118.33 3ml9 h ARG 1021Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ml9 h ARG 1021Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ml9 h ARG 1021CO 0.10 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.45 3ml9 h HIS 1022N 0.00 0.00 -0.46 3.04 3.86 -1.25 -2.65 115.15 117.70 3ml9 h HIS 1022Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 3ml9 h HIS 1022Cb 0.51 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.70 3ml9 h HIS 1022CO 0.00 0.00 -0.73 0.72 0.86 0.00 0.00 177.93 178.78 3ml9 n HIS 1023N -2.44 1.67 -0.35 2.45 8.25 0.20 -4.85 115.22 120.15 3ml9 n HIS 1023Ca 0.00 -1.93 0.15 0.00 -0.26 0.00 0.00 57.72 55.69 3ml9 n HIS 1023Cb 0.16 -0.30 0.35 0.00 1.12 0.00 0.00 29.99 31.33 3ml9 n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ml9 h THR 1024N 2.02 0.64 -0.17 1.59 2.02 -1.36 -2.13 112.91 115.51 3ml9 h THR 1024Ca 0.21 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 3ml9 h THR 1024Cb 1.35 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3ml9 h THR 1024CO 0.46 0.12 -0.53 0.78 0.37 0.00 0.00 175.52 176.72 3ml9 h ASN 1025N 0.68 0.76 0.18 4.18 2.35 -1.88 -1.52 115.58 120.34 3ml9 h ASN 1025Ca 0.60 -0.59 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3ml9 h ASN 1025Cb 1.05 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 3ml9 h ASN 1025CO -0.41 1.22 -0.39 0.25 -1.65 0.00 0.00 177.43 176.45 3ml9 h LEU 1026N 0.35 -1.12 -0.99 1.61 6.46 -1.70 -2.09 115.31 117.82 3ml9 h LEU 1026Ca -0.02 0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3ml9 h LEU 1026Cb 1.15 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 41.47 3ml9 h LEU 1026CO 0.11 -0.48 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.33 3ml9 h LEU 1027N -0.67 0.65 -0.90 2.25 3.38 -1.44 -1.48 115.31 117.10 3ml9 h LEU 1027Ca 0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3ml9 h LEU 1027Cb 0.67 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ml9 h LEU 1027CO -0.19 0.75 -0.19 0.40 0.09 0.00 0.00 178.44 179.30 3ml9 h ILE 1028N 0.63 1.26 -0.09 1.22 2.04 -1.06 -0.13 117.51 121.37 3ml9 h ILE 1028Ca 0.12 -1.20 -0.20 0.00 1.00 0.00 0.00 64.86 64.58 3ml9 h ILE 1028Cb 0.46 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3ml9 h ILE 1028CO 0.02 0.39 -0.72 -0.29 0.00 0.00 0.00 178.15 177.55 3ml9 h ILE 1029N 0.53 1.32 -0.65 -0.67 6.09 -1.02 -1.69 117.51 121.43 3ml9 h ILE 1029Ca 0.08 -1.99 -0.04 0.00 -1.37 0.00 0.00 64.86 61.54 3ml9 h ILE 1029Cb 0.62 2.20 -0.03 0.00 0.47 0.00 0.00 36.82 40.09 3ml9 h ILE 1029CO 0.04 0.61 0.23 -0.07 -3.07 0.00 0.00 178.15 175.89 3ml9 h LEU 1030N 0.30 0.89 -0.48 2.19 3.38 -1.20 0.25 115.31 120.65 3ml9 h LEU 1030Ca -0.07 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 3ml9 h LEU 1030Cb 1.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ml9 h LEU 1030CO 0.15 0.82 -0.60 0.15 0.09 0.00 0.00 178.44 179.05 3ml9 h PHE 1031N 0.94 0.67 -0.20 1.13 3.57 -1.00 -0.78 116.94 121.28 3ml9 h PHE 1031Ca 0.22 -0.26 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 3ml9 h PHE 1031Cb 0.23 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3ml9 h PHE 1031CO 0.02 1.00 -0.40 0.77 -2.23 0.00 0.00 178.31 177.46 3ml9 h SER 1032N 0.39 0.71 0.32 0.41 0.02 -0.77 -1.52 113.55 113.11 3ml9 h SER 1032Ca -0.00 -0.55 -0.11 0.00 -0.84 0.00 0.00 61.79 60.29 3ml9 h SER 1032Cb 1.16 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3ml9 h SER 1032CO 0.11 1.12 -0.45 0.24 -1.14 0.00 0.00 176.83 176.71 3ml9 h MET 1033N 0.32 0.17 0.05 3.45 2.86 -0.54 -2.64 114.93 118.60 3ml9 h MET 1033Ca 0.01 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3ml9 h MET 1033Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3ml9 h MET 1033CO 0.09 0.59 -0.03 1.98 1.06 0.00 0.00 176.91 180.61 3ml9 h MET 1034N 0.14 -0.07 0.00 1.72 -1.53 -1.00 -2.20 114.93 111.98 3ml9 h MET 1034Ca 0.01 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3ml9 h MET 1034Cb 0.86 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.92 3ml9 h MET 1034CO 0.07 0.05 -0.10 -0.07 0.14 0.00 0.00 176.91 177.00 3ml9 h LEU 1035N -0.18 0.00 0.14 3.39 3.38 -1.09 -1.83 115.31 119.13 3ml9 h LEU 1035Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3ml9 h LEU 1035Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ml9 h LEU 1035CO 0.01 0.10 -1.67 0.24 0.09 0.00 0.00 178.44 177.21 3ml9 h MET 1036N 0.00 0.30 0.00 1.13 2.86 -1.25 -3.29 114.93 114.69 3ml9 h MET 1036Ca -0.00 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3ml9 h MET 1036Cb 0.24 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3ml9 h MET 1036CO 0.01 1.18 -1.39 0.25 1.06 0.00 0.00 176.91 178.03 3ml9 n THR 1037N -3.50 0.00 0.00 2.22 -2.24 -0.85 -1.60 114.28 108.32 3ml9 n THR 1037Ca -0.21 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3ml9 n THR 1037Cb 1.06 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3ml9 n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ml9 n GLY 1038N 1.41 0.00 2.56 3.38 0.00 -0.70 -4.93 105.19 106.91 3ml9 n GLY 1038Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3ml9 n GLY 1038CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ml9 s MET 1039N -1.89 0.95 1.14 1.61 0.00 -1.22 -4.53 119.30 115.37 3ml9 s MET 1039Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 55.69 53.77 3ml9 s MET 1039Cb 0.00 -1.78 0.27 0.00 0.00 0.00 0.00 34.83 33.32 3ml9 s MET 1039CO 0.00 -1.23 1.04 -1.25 0.00 0.00 0.00 175.02 173.58 3ml9 s PRO 1040N 0.54 -0.76 0.00 3.16 0.04 -1.26 -2.64 135.00 134.08 3ml9 s PRO 1040Ca 0.21 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3ml9 s PRO 1040Cb -0.18 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3ml9 s PRO 1040CO -0.04 -3.57 0.00 1.04 0.04 0.00 0.00 177.00 174.47 3ml9 n GLN 1041N -4.79 0.00 -1.26 4.56 1.13 -1.26 -4.72 117.38 111.04 3ml9 n GLN 1041Ca 0.04 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.81 3ml9 n GLN 1041Cb 0.56 -0.03 0.05 0.00 0.11 0.00 0.00 30.24 30.92 3ml9 n GLN 1041CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ml9 n LEU 1042N 0.00 7.16 0.00 1.08 4.77 -1.08 -4.59 117.00 124.34 3ml9 n LEU 1042Ca 0.00 -3.99 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 3ml9 n LEU 1042Cb 0.00 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3ml9 n LEU 1042CO 0.00 1.45 0.00 0.41 -1.33 0.00 0.00 177.39 177.92 3ml9 n THR 1043N -0.27 0.00 0.00 -5.08 -1.04 -1.26 -4.66 114.28 101.96 3ml9 n THR 1043Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 3ml9 n THR 1043Cb 0.57 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3ml9 n THR 1043CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ml9 n SER 1044N -0.59 0.00 0.00 8.00 3.41 -1.26 -3.65 113.62 119.53 3ml9 n SER 1044Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ml9 n SER 1044Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ml9 n SER 1044CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ml9 n LYS 1045N 0.00 0.00 0.26 4.33 3.00 -1.26 -3.83 118.16 120.66 3ml9 n LYS 1045Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 3ml9 n LYS 1045Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 35.03 35.72 3ml9 n LYS 1045CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3ml9 h GLU 1046N 0.00 0.00 -0.09 1.64 3.07 -1.99 0.27 114.58 117.48 3ml9 h GLU 1046Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3ml9 h GLU 1046Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3ml9 h GLU 1046CO 0.00 0.03 -0.50 -0.44 -1.40 0.00 0.00 179.01 176.69 3ml9 h ASP 1047N 0.00 0.60 -0.36 1.42 3.32 -1.89 -3.29 116.42 116.22 3ml9 h ASP 1047Ca -0.00 -0.65 0.07 0.00 0.02 0.00 0.00 57.03 56.47 3ml9 h ASP 1047Cb 0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3ml9 h ASP 1047CO 0.00 1.16 0.25 0.40 -1.72 0.00 0.00 179.24 179.33 3ml9 h ILE 1048N 0.09 0.92 -0.13 0.35 2.04 -1.07 -2.23 117.51 117.47 3ml9 h ILE 1048Ca -0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ml9 h ILE 1048Cb 1.15 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3ml9 h ILE 1048CO 0.10 0.03 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 3ml9 n GLU 1049N -4.47 1.72 -0.28 2.37 1.02 -0.70 -4.03 120.64 116.27 3ml9 n GLU 1049Ca 0.05 -1.08 0.08 0.00 -0.02 0.00 0.00 57.16 56.19 3ml9 n GLU 1049Cb 0.30 -1.42 0.31 0.00 -0.02 0.00 0.00 31.44 30.61 3ml9 n GLU 1049CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3ml9 h TYR 1050N 2.28 0.93 0.00 -0.32 3.20 -1.51 -3.02 116.97 118.53 3ml9 h TYR 1050Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3ml9 h TYR 1050Cb 0.50 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3ml9 h TYR 1050CO 0.08 0.42 -0.17 0.97 -1.64 0.00 0.00 178.16 177.82 3ml9 h ILE 1051N 0.85 0.36 -0.18 1.81 2.10 -1.81 -2.40 117.51 118.24 3ml9 h ILE 1051Ca 0.42 -1.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.21 3ml9 h ILE 1051Cb 0.46 1.85 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 3ml9 h ILE 1051CO -0.18 0.16 -0.01 0.03 -1.08 0.00 0.00 178.15 177.07 3ml9 h ARG 1052N 0.00 0.32 -0.31 2.19 3.08 -1.82 0.39 114.38 118.22 3ml9 h ARG 1052Ca -0.00 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.00 3ml9 h ARG 1052Cb 0.84 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 3ml9 h ARG 1052CO 0.02 0.55 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.92 3ml9 h ASP 1053N 0.06 -0.39 -0.57 7.04 3.32 -1.59 0.19 116.42 124.47 3ml9 h ASP 1053Ca 0.05 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ml9 h ASP 1053Cb 0.42 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 3ml9 h ASP 1053CO 0.01 -0.14 0.36 0.00 -1.72 0.00 0.00 179.24 177.75 3ml9 h ALA 1054N 1.23 0.73 -0.00 3.45 0.00 -1.13 -1.90 119.26 121.63 3ml9 h ALA 1054Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ml9 h ALA 1054Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ml9 h ALA 1054CO -0.35 0.19 -0.15 1.28 0.00 0.00 0.00 179.25 180.23 3ml9 n LEU 1055N -4.66 0.54 -3.47 0.00 4.77 0.10 -4.91 117.00 109.37 3ml9 n LEU 1055Ca 0.04 -0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 3ml9 n LEU 1055Cb 0.04 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3ml9 n LEU 1055CO 0.36 0.10 0.06 1.07 -1.33 0.00 0.00 177.39 177.65 3ml9 n THR 1056N -0.96 -6.06 -1.81 -5.08 5.66 0.63 -4.89 114.28 101.77 3ml9 n THR 1056Ca 0.13 -0.60 -0.39 0.00 -3.05 0.00 0.00 64.05 60.14 3ml9 n THR 1056Cb 0.29 -4.92 0.03 0.00 -1.55 0.00 0.00 70.33 64.18 3ml9 n THR 1056CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ml9 s VAL 1057N -3.43 2.11 0.00 1.08 0.11 -1.04 -2.72 120.40 116.52 3ml9 s VAL 1057Ca 0.06 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 3ml9 s VAL 1057Cb -0.01 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3ml9 s VAL 1057CO 0.75 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 3ml9 n GLY 1058N 0.67 2.28 3.45 6.54 0.00 -1.26 -5.01 105.19 111.86 3ml9 n GLY 1058Ca 0.09 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3ml9 n GLY 1058CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ml9 n LYS 1059N 0.00 0.30 -3.61 1.61 4.76 -1.10 -4.99 118.16 115.13 3ml9 n LYS 1059Ca 0.00 0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 55.37 3ml9 n LYS 1059Cb 0.00 -1.79 -0.01 0.00 -1.84 0.00 0.00 35.03 31.39 3ml9 n LYS 1059CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ml9 s ASN 1060N -1.43 6.13 0.20 4.39 2.20 -1.26 -4.90 114.94 120.26 3ml9 s ASN 1060Ca 0.65 0.03 -0.13 0.00 -0.94 0.00 0.00 52.86 52.47 3ml9 s ASN 1060Cb -0.36 -1.59 0.23 0.00 -2.00 0.00 0.00 41.25 37.53 3ml9 s ASN 1060CO 0.58 -0.30 1.66 -0.33 -2.94 0.00 0.00 177.10 175.77 3ml9 h GLU 1061N 0.94 0.07 -0.54 3.55 5.08 -1.98 -0.54 114.58 121.16 3ml9 h GLU 1061Ca -0.49 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3ml9 h GLU 1061Cb 1.24 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3ml9 h GLU 1061CO 0.57 0.05 0.32 0.93 -1.00 0.00 0.00 179.01 179.88 3ml9 h GLU 1062N 0.08 0.62 0.00 2.33 4.39 -1.99 0.93 114.58 120.93 3ml9 h GLU 1062Ca 0.28 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 3ml9 h GLU 1062Cb 0.44 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3ml9 h GLU 1062CO -0.50 0.41 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.31 3ml9 h ASP 1063N 0.64 0.00 0.13 1.42 3.32 -1.54 -2.25 116.42 118.13 3ml9 h ASP 1063Ca 0.22 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.03 3ml9 h ASP 1063Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ml9 h ASP 1063CO -0.11 0.00 -1.17 0.00 -1.72 0.00 0.00 179.24 176.25 3ml9 h ALA 1064N 2.00 0.06 -0.36 3.45 0.00 0.86 -2.57 119.26 122.70 3ml9 h ALA 1064Ca -0.00 -0.93 0.08 0.00 0.00 0.00 0.00 54.91 54.06 3ml9 h ALA 1064Cb 0.01 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3ml9 h ALA 1064CO 0.00 0.64 -0.21 -0.22 0.00 0.00 0.00 179.25 179.46 3ml9 h LYS 1065N -0.33 -0.15 -0.85 0.00 3.64 0.76 -0.63 116.57 119.01 3ml9 h LYS 1065Ca -0.24 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3ml9 h LYS 1065Cb 1.72 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.51 3ml9 h LYS 1065CO 0.10 -0.10 0.52 -0.22 -2.27 0.00 0.00 179.45 177.48 3ml9 h LYS 1066N -0.15 0.91 -0.72 1.90 3.64 -1.49 -2.82 116.57 117.83 3ml9 h LYS 1066Ca 0.18 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3ml9 h LYS 1066Cb 0.43 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3ml9 h LYS 1066CO -0.45 0.60 0.33 -0.92 -2.27 0.00 0.00 179.45 176.74 3ml9 h TYR 1067N 0.93 1.05 0.03 1.91 5.03 -0.70 -1.78 116.97 123.44 3ml9 h TYR 1067Ca 0.38 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.63 3ml9 h TYR 1067Cb 0.21 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.17 3ml9 h TYR 1067CO -0.04 0.78 -0.01 0.35 -1.32 0.00 0.00 178.16 177.93 3ml9 h PHE 1068N 1.01 -0.03 -1.01 -3.82 3.57 -1.20 -2.72 116.94 112.74 3ml9 h PHE 1068Ca 0.25 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.01 3ml9 h PHE 1068Cb 0.14 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3ml9 h PHE 1068CO 0.01 0.36 0.68 -0.07 -2.23 0.00 0.00 178.31 177.06 3ml9 h LEU 1069N -0.43 0.30 -0.88 0.59 3.38 -1.27 0.68 115.31 117.68 3ml9 h LEU 1069Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3ml9 h LEU 1069Cb 0.41 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ml9 h LEU 1069CO 0.01 0.08 -0.47 0.44 0.09 0.00 0.00 178.44 178.58 3ml9 h ASP 1070N 0.27 0.22 -0.10 -0.43 3.45 -1.11 -1.75 116.42 116.98 3ml9 h ASP 1070Ca 0.54 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.88 3ml9 h ASP 1070Cb 1.58 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 40.29 3ml9 h ASP 1070CO -0.18 0.66 0.01 1.56 -1.57 0.00 0.00 179.24 179.73 3ml9 h GLN 1071N 0.17 0.16 -0.77 3.56 1.08 0.61 -1.30 115.11 118.61 3ml9 h GLN 1071Ca 0.01 -0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.33 3ml9 h GLN 1071Cb 0.90 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.20 3ml9 h GLN 1071CO 0.07 0.37 0.27 0.82 -0.95 0.00 0.00 178.83 179.41 3ml9 h ILE 1072N -0.08 0.57 0.00 2.54 2.04 -1.02 0.36 117.51 121.92 3ml9 h ILE 1072Ca 0.03 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ml9 h ILE 1072Cb 0.29 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3ml9 h ILE 1072CO 0.00 0.07 0.00 -0.33 0.00 0.00 0.00 178.15 177.89 3ml9 h GLU 1073N 0.37 0.00 0.00 2.37 4.39 -0.81 0.50 114.58 121.39 3ml9 h GLU 1073Ca 0.44 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.07 3ml9 h GLU 1073Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3ml9 h GLU 1073CO -0.47 0.00 -0.32 0.28 -1.16 0.00 0.00 179.01 177.35 3ml9 h VAL 1074N 0.00 0.58 -0.10 3.13 2.07 0.21 -3.14 116.25 119.00 3ml9 h VAL 1074Ca 0.00 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.77 3ml9 h VAL 1074Cb 0.49 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3ml9 h VAL 1074CO 0.00 0.31 -0.28 0.00 0.02 0.00 0.00 177.57 177.62 3ml9 h ARG 1076N -0.09 0.00 -0.03 0.00 3.08 -1.44 -3.03 114.38 112.87 3ml9 h ARG 1076Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3ml9 h ARG 1076Cb 0.90 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.97 3ml9 h ARG 1076CO 0.06 0.09 -0.99 -0.44 -1.07 0.00 0.00 179.97 177.62 3ml9 h ASP 1077N 0.00 0.90 0.35 7.04 5.19 -1.52 -3.31 116.42 125.07 3ml9 h ASP 1077Ca -0.00 -0.70 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 3ml9 h ASP 1077Cb 0.20 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.43 3ml9 h ASP 1077CO 0.01 1.50 -0.44 0.29 -3.12 0.00 0.00 179.24 177.47 3ml9 n LYS 1078N -3.86 0.34 0.00 3.56 5.02 -1.15 -4.95 118.16 117.12 3ml9 n LYS 1078Ca -0.10 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 3ml9 n LYS 1078Cb 0.86 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 3ml9 n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ml9 n GLY 1079N 1.44 1.05 0.66 0.72 0.00 -1.18 0.02 105.19 107.90 3ml9 n GLY 1079Ca 0.08 0.71 0.08 0.00 0.00 0.00 0.00 46.02 46.88 3ml9 n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ml9 n TRP 1080N 0.00 0.15 0.02 1.61 7.02 -1.26 -4.57 117.44 120.41 3ml9 n TRP 1080Ca 0.00 -0.12 -0.03 0.00 -1.02 0.00 0.00 57.50 56.34 3ml9 n TRP 1080Cb 0.00 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 3ml9 n TRP 1080CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3ml9 h THR 1081N 2.90 0.00 -0.13 -0.99 2.02 -0.81 0.40 112.91 116.30 3ml9 h THR 1081Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ml9 h THR 1081Cb 0.67 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ml9 h THR 1081CO 0.00 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.55 3ml9 h VAL 1082N -0.12 1.07 -0.87 3.16 2.07 -1.85 0.22 116.25 119.92 3ml9 h VAL 1082Ca -0.00 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.52 3ml9 h VAL 1082Cb 0.12 0.94 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 3ml9 h VAL 1082CO -0.05 0.06 0.45 -0.61 0.02 0.00 0.00 177.57 177.44 3ml9 h GLN 1083N 0.14 0.57 -0.20 1.57 5.75 -1.83 1.18 115.11 122.30 3ml9 h GLN 1083Ca 0.05 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 3ml9 h GLN 1083Cb 0.03 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3ml9 h GLN 1083CO -0.01 0.38 -0.48 0.35 -2.65 0.00 0.00 178.83 176.42 3ml9 h PHE 1084N 0.59 0.64 0.10 3.99 3.57 0.94 -1.07 116.94 125.70 3ml9 h PHE 1084Ca 0.49 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3ml9 h PHE 1084Cb 0.76 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3ml9 h PHE 1084CO -0.09 0.91 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.94 3ml9 h ASN 1085N 0.42 -0.11 -0.63 0.41 4.21 0.27 -1.09 115.58 119.07 3ml9 h ASN 1085Ca 0.02 -0.14 0.17 0.00 1.21 0.00 0.00 56.30 57.56 3ml9 h ASN 1085Cb 0.99 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 3ml9 h ASN 1085CO 0.09 0.07 0.44 -0.50 -1.29 0.00 0.00 177.43 176.25 3ml9 h TRP 1086N -0.30 0.08 -0.26 1.19 -0.00 0.13 -0.45 115.95 116.34 3ml9 h TRP 1086Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.78 3ml9 h TRP 1086Cb 0.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.38 3ml9 h TRP 1086CO -0.02 0.03 -0.24 0.35 -0.00 0.00 0.00 178.44 178.56 3ml9 h PHE 1087N 0.07 0.75 -0.43 0.49 3.57 -0.42 -0.35 116.94 120.61 3ml9 h PHE 1087Ca 0.30 -0.22 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3ml9 h PHE 1087Cb 1.09 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3ml9 h PHE 1087CO -0.00 0.93 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.81 3ml9 h LEU 1088N 0.35 0.86 0.02 0.59 3.38 0.10 -2.63 115.31 117.97 3ml9 h LEU 1088Ca 0.04 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ml9 h LEU 1088Cb 0.80 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ml9 h LEU 1088CO 0.06 1.04 -0.01 -0.74 0.09 0.00 0.00 178.44 178.88 3ml9 h HIS 1089N 0.68 -0.02 -0.01 1.13 2.76 -1.21 -0.61 115.15 117.86 3ml9 h HIS 1089Ca 0.11 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3ml9 h HIS 1089Cb 0.67 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3ml9 h HIS 1089CO 0.05 0.66 -0.07 -0.11 -1.30 0.00 0.00 177.93 177.16 3ml9 n LEU 1090N -4.76 1.13 0.00 0.26 7.94 -0.14 -0.65 117.00 120.77 3ml9 n LEU 1090Ca -0.09 -0.34 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 3ml9 n LEU 1090Cb 0.34 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.24 3ml9 n LEU 1090CO 0.32 0.20 -0.28 0.52 -1.11 0.00 0.00 177.39 177.04 3ml9 n VAL 1091N -0.26 0.00 -0.71 1.96 0.31 -0.99 -4.83 118.33 113.81 3ml9 n VAL 1091Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3ml9 n VAL 1091Cb 0.32 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 3ml9 n VAL 1091CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ml9 n LEU 1092N -0.85 0.55 0.00 7.52 4.77 -0.35 -5.04 117.00 123.60 3ml9 n LEU 1092Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3ml9 n LEU 1092Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3ml9 n LEU 1092CO 0.00 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.81