#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f0j h ILE 153 N 0.00 0.37 -0.07 2.46 6.09 -1.99 -1.80 117.51 122.56 1f0j h ILE 153 Ca 0.00 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.35 1f0j h ILE 153 Cb 0.00 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 1f0j h ILE 153 CO 0.00 0.00 -0.60 0.28 -3.07 0.00 0.00 178.15 174.76 1f0j h SER 154 N 0.00 0.25 0.34 2.19 0.02 -1.97 -2.34 113.55 112.05 1f0j h SER 154 Ca 0.00 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1f0j h SER 154 Cb 0.01 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1f0j h SER 154 CO -0.00 0.79 -0.27 0.03 -1.14 0.00 0.00 176.83 176.24 1f0j h ARG 155 N 0.17 0.00 0.00 3.45 2.47 -1.74 -1.67 114.38 117.06 1f0j h ARG 155 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1f0j h ARG 155 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1f0j h ARG 155 CO 0.09 0.27 -0.26 1.19 0.56 0.00 0.00 179.97 181.82 1f0j n PHE 156 N -4.04 0.10 -2.20 3.04 3.72 -0.96 -4.94 117.46 112.19 1f0j n PHE 156 Ca -0.02 0.03 -0.20 0.00 -0.05 0.00 0.00 57.45 57.22 1f0j n PHE 156 Cb 0.33 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1f0j n PHE 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f0j n GLY 157 N 1.47 0.06 3.79 1.37 0.00 -0.63 -4.78 105.19 106.47 1f0j n GLY 157 Ca 0.06 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1f0j n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f0j s VAL 158 N -2.92 5.22 0.69 1.61 1.01 -1.15 -5.01 120.40 119.85 1f0j s VAL 158 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1f0j s VAL 158 Cb 0.00 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.81 1f0j s VAL 158 CO 0.00 0.48 0.98 0.54 0.00 0.00 0.00 175.10 177.10 1f0j s ASN 159 N -0.26 4.71 0.39 3.32 2.20 -1.26 -4.78 114.94 119.26 1f0j s ASN 159 Ca 0.20 0.19 0.06 0.00 -0.94 0.00 0.00 52.86 52.36 1f0j s ASN 159 Cb -0.14 -0.80 0.78 0.00 -2.00 0.00 0.00 41.25 39.09 1f0j s ASN 159 CO 0.08 -1.63 2.04 0.71 -2.94 0.00 0.00 177.10 175.36 1f0j h THR 160 N -0.51 1.12 -0.21 0.54 1.35 -1.98 -0.16 112.91 113.05 1f0j h THR 160 Ca -0.42 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 1f0j h THR 160 Cb 1.30 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1f0j h THR 160 CO 0.53 0.12 0.11 -0.08 -0.25 0.00 0.00 175.52 175.95 1f0j h GLU 161 N 0.66 0.31 0.00 4.72 4.81 -2.00 -0.40 114.58 122.68 1f0j h GLU 161 Ca 0.19 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1f0j h GLU 161 Cb -0.05 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1f0j h GLU 161 CO -0.04 0.31 -0.14 -0.91 -0.73 0.00 0.00 179.01 177.50 1f0j h ASN 162 N 0.22 0.00 -0.21 1.04 2.35 -1.85 -2.51 115.58 114.62 1f0j h ASN 162 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1f0j h ASN 162 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1f0j h ASN 162 CO -0.01 0.14 -0.34 -0.08 -1.65 0.00 0.00 177.43 175.49 1f0j h GLU 163 N 0.00 0.73 -0.52 0.81 4.81 -0.69 -0.40 114.58 119.33 1f0j h GLU 163 Ca -0.00 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 1f0j h GLU 163 Cb 0.98 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1f0j h GLU 163 CO 0.02 0.97 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.72 1f0j h ASP 164 N 0.61 0.96 -0.56 1.04 3.32 -0.84 -0.84 116.42 120.11 1f0j h ASP 164 Ca 0.06 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1f0j h ASP 164 Cb 0.87 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1f0j h ASP 164 CO 0.08 1.07 0.25 0.45 -1.72 0.00 0.00 179.24 179.37 1f0j h HIS 165 N 0.86 0.83 -0.28 4.55 3.86 -1.14 -2.54 115.15 121.29 1f0j h HIS 165 Ca 0.14 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1f0j h HIS 165 Cb 0.65 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1f0j h HIS 165 CO 0.04 0.65 -0.08 -0.07 0.86 0.00 0.00 177.93 179.34 1f0j h LEU 166 N 0.76 0.43 -1.02 2.43 3.38 -0.79 -1.33 115.31 119.17 1f0j h LEU 166 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1f0j h LEU 166 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1f0j h LEU 166 CO -0.02 0.55 0.28 0.00 0.09 0.00 0.00 178.44 179.35 1f0j h ALA 167 N 1.50 1.22 -0.06 1.53 0.00 -0.76 0.29 119.26 122.99 1f0j h ALA 167 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1f0j h ALA 167 Cb 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1f0j h ALA 167 CO 0.02 0.57 -0.02 -0.22 0.00 0.00 0.00 179.25 179.60 1f0j h LYS 168 N 0.97 0.12 -0.54 0.00 3.64 -1.02 -3.15 116.57 116.60 1f0j h LYS 168 Ca 0.23 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1f0j h LYS 168 Cb 0.16 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1f0j h LYS 168 CO -0.02 0.48 0.31 0.93 -2.27 0.00 0.00 179.45 178.88 1f0j h GLU 169 N -0.25 0.74 0.00 1.90 4.39 -0.88 -2.65 114.58 117.83 1f0j h GLU 169 Ca 0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1f0j h GLU 169 Cb 0.45 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1f0j h GLU 169 CO 0.01 0.55 0.00 1.28 -1.16 0.00 0.00 179.01 179.69 1f0j n LEU 170 N -4.65 0.00 0.28 1.33 4.77 0.10 -2.18 117.00 116.65 1f0j n LEU 170 Ca 0.03 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1f0j n LEU 170 Cb 0.07 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 41.94 1f0j n LEU 170 CO 0.36 0.00 1.00 -0.33 -1.33 0.00 0.00 177.39 177.09 1f0j h GLU 171 N 0.00 0.00 -0.63 3.23 5.08 -1.43 -1.40 114.58 119.43 1f0j h GLU 171 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f0j h GLU 171 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f0j h GLU 171 CO 0.00 0.08 0.00 -0.25 -1.00 0.00 0.00 179.01 177.84 1f0j n ASP 172 N -3.36 5.02 -0.31 1.42 8.00 -0.93 -4.61 116.55 121.79 1f0j n ASP 172 Ca -0.01 -2.66 0.11 0.00 0.71 0.00 0.00 54.79 52.94 1f0j n ASP 172 Cb 0.24 -0.62 0.28 0.00 -0.02 0.00 0.00 41.12 41.00 1f0j n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1f0j h LEU 173 N 3.83 0.49 -3.00 0.64 5.85 -1.45 0.38 115.31 122.04 1f0j h LEU 173 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1f0j h LEU 173 Cb 1.65 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1f0j h LEU 173 CO 0.35 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 179.17 1f0j n ASN 174 N -4.93 4.70 -4.46 1.25 3.02 -1.26 -4.85 115.26 108.73 1f0j n ASN 174 Ca 0.20 -2.61 -0.28 0.00 -0.03 0.00 0.00 54.58 51.85 1f0j n ASN 174 Cb 0.55 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 1f0j n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1f0j s LYS 175 N -2.20 1.65 0.46 3.52 1.02 0.12 -4.87 119.74 119.45 1f0j s LYS 175 Ca 0.46 -1.31 0.22 0.00 0.02 0.00 0.00 55.97 55.35 1f0j s LYS 175 Cb 0.33 -2.00 1.12 0.00 -0.52 0.00 0.00 37.83 36.76 1f0j s LYS 175 CO 0.17 0.45 1.96 2.35 -0.92 0.00 0.00 175.35 179.36 1f0j h TRP 176 N 3.56 0.00 -0.03 3.18 -0.00 -1.92 -2.88 115.95 117.86 1f0j h TRP 176 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.40 1f0j h TRP 176 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 1f0j h TRP 176 CO 0.63 0.21 0.00 0.41 -0.00 0.00 0.00 178.44 179.69 1f0j n GLY 177 N -0.53 -0.79 3.73 2.65 0.00 -1.26 -4.89 105.19 104.10 1f0j n GLY 177 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1f0j n GLY 177 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f0j n LEU 178 N -0.59 4.36 -4.22 0.99 0.00 -1.09 -4.94 117.00 111.51 1f0j n LEU 178 Ca 0.13 1.16 -0.41 0.00 0.00 0.00 0.00 56.01 56.89 1f0j n LEU 178 Cb 0.10 -1.55 -0.09 0.00 0.00 0.00 0.00 43.42 41.88 1f0j n LEU 178 CO 0.10 -0.30 -0.04 0.21 0.00 0.00 0.00 177.39 177.36 1f0j s ASN 179 N -0.37 5.69 0.50 1.96 3.84 -1.26 -4.93 114.94 120.37 1f0j s ASN 179 Ca 0.58 -1.83 0.29 0.00 0.21 0.00 0.00 52.86 52.10 1f0j s ASN 179 Cb -0.50 -2.01 1.14 0.00 -0.55 0.00 0.00 41.25 39.33 1f0j s ASN 179 CO 0.60 -0.66 1.91 -0.29 -2.79 0.00 0.00 177.10 175.87 1f0j h ILE 180 N 6.12 0.29 -0.52 -5.21 6.09 -1.97 -2.53 117.51 119.78 1f0j h ILE 180 Ca -0.22 -0.81 -0.10 0.00 -1.37 0.00 0.00 64.86 62.37 1f0j h ILE 180 Cb 1.07 1.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.98 1f0j h ILE 180 CO 0.84 0.11 -0.05 -0.26 -3.07 0.00 0.00 178.15 175.72 1f0j h PHE 181 N 0.00 1.05 -0.56 2.19 0.04 -1.96 -0.93 116.94 116.77 1f0j h PHE 181 Ca -0.00 -0.20 -0.11 0.00 2.80 0.00 0.00 57.97 60.46 1f0j h PHE 181 Cb 0.62 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1f0j h PHE 181 CO 0.00 0.98 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.71 1f0j h ASN 182 N 0.81 1.02 -0.61 2.17 2.35 -1.89 -1.75 115.58 117.68 1f0j h ASN 182 Ca 0.14 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1f0j h ASN 182 Cb 0.59 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1f0j h ASN 182 CO 0.04 1.10 0.40 0.58 -1.65 0.00 0.00 177.43 177.90 1f0j h VAL 183 N 0.92 1.16 -0.61 2.81 2.07 -1.24 -1.99 116.25 119.37 1f0j h VAL 183 Ca 0.15 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1f0j h VAL 183 Cb 0.63 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1f0j h VAL 183 CO 0.04 0.15 0.31 0.00 0.02 0.00 0.00 177.57 178.10 1f0j h ALA 184 N 1.22 0.79 0.00 1.67 0.00 -0.92 -1.96 119.26 120.06 1f0j h ALA 184 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1f0j h ALA 184 Cb -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1f0j h ALA 184 CO -0.05 0.33 -0.08 0.78 0.00 0.00 0.00 179.25 180.23 1f0j h GLY 185 N 0.84 0.00 -1.76 0.00 0.00 -0.73 -0.11 103.07 101.30 1f0j h GLY 185 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1f0j h GLY 185 CO -0.03 0.00 -0.03 -1.72 0.00 0.00 0.00 176.54 174.76 1f0j n TYR 186 N -4.24 0.00 -1.50 5.60 4.01 -0.80 -4.39 117.16 115.84 1f0j n TYR 186 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1f0j n TYR 186 Cb 0.17 -0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.38 1f0j n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1f0j n SER 187 N 1.18 1.83 -3.79 7.72 3.41 -0.77 -4.82 113.62 118.38 1f0j n SER 187 Ca 0.14 -3.68 -0.27 0.00 -0.26 0.00 0.00 58.87 54.81 1f0j n SER 187 Cb 0.57 -0.50 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1f0j n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f0j n HIS 188 N -1.15 -2.34 -3.79 7.33 8.25 -1.21 -2.34 115.22 119.97 1f0j n HIS 188 Ca 0.18 0.92 -0.25 0.00 -0.26 0.00 0.00 57.72 58.31 1f0j n HIS 188 Cb 0.69 -4.31 0.03 0.00 1.12 0.00 0.00 29.99 27.52 1f0j n HIS 188 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1f0j n ASN 189 N -2.92 -2.84 -2.74 0.41 5.15 -0.10 -4.93 115.26 107.30 1f0j n ASN 189 Ca -0.04 -0.79 -0.23 0.00 -0.60 0.00 0.00 54.58 52.91 1f0j n ASN 189 Cb 0.57 -4.02 -0.01 0.00 -0.53 0.00 0.00 39.78 35.79 1f0j n ASN 189 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1f0j n ARG 190 N -4.47 2.76 -0.22 1.20 5.12 -0.99 -4.91 116.66 115.15 1f0j n ARG 190 Ca -0.15 -4.32 0.01 0.00 -1.93 0.00 0.00 57.85 51.46 1f0j n ARG 190 Cb 0.61 -2.04 0.24 0.00 -1.16 0.00 0.00 32.46 30.12 1f0j n ARG 190 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1f0j h PRO 191 N 2.82 0.99 -0.18 5.56 0.13 -1.85 -1.28 132.00 138.19 1f0j h PRO 191 Ca 0.16 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1f0j h PRO 191 Cb 0.83 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1f0j h PRO 191 CO 0.75 0.66 0.02 1.25 -0.23 0.00 0.00 178.00 180.45 1f0j h LEU 192 N 1.02 0.30 -0.37 1.56 5.85 -1.91 0.48 115.31 122.25 1f0j h LEU 192 Ca 0.28 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1f0j h LEU 192 Cb -0.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1f0j h LEU 192 CO -0.06 0.50 -0.18 0.74 -0.34 0.00 0.00 178.44 179.09 1f0j h THR 193 N 0.09 1.28 0.05 1.05 2.02 -1.82 -0.83 112.91 114.75 1f0j h THR 193 Ca 0.05 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1f0j h THR 193 Cb 0.34 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1f0j h THR 193 CO 0.01 0.43 -0.02 0.00 0.37 0.00 0.00 175.52 176.31 1f0j h ILE 195 N -0.23 1.27 -0.36 0.00 6.09 -0.92 -0.59 117.51 122.78 1f0j h ILE 195 Ca -0.01 -1.27 -0.14 0.00 -1.37 0.00 0.00 64.86 62.07 1f0j h ILE 195 Cb 0.21 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 1f0j h ILE 195 CO 0.01 0.40 -0.33 0.24 -3.07 0.00 0.00 178.15 175.41 1f0j h MET 196 N 0.42 0.80 -0.35 2.19 2.86 -1.05 0.90 114.93 120.71 1f0j h MET 196 Ca 0.06 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1f0j h MET 196 Cb 0.67 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1f0j h MET 196 CO 0.05 1.01 0.07 -0.92 1.06 0.00 0.00 176.91 178.18 1f0j h TYR 197 N 0.67 0.59 -0.60 -0.22 3.20 -0.71 0.62 116.97 120.53 1f0j h TYR 197 Ca 0.07 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1f0j h TYR 197 Cb 0.88 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1f0j h TYR 197 CO 0.05 0.61 0.38 0.00 -1.64 0.00 0.00 178.16 177.56 1f0j h ALA 198 N 0.91 0.76 -0.18 1.82 0.00 -0.90 -0.76 119.26 120.91 1f0j h ALA 198 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1f0j h ALA 198 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1f0j h ALA 198 CO 0.00 0.22 0.07 0.82 0.00 0.00 0.00 179.25 180.36 1f0j h ILE 199 N 0.81 1.17 -0.27 0.00 2.04 -0.60 -0.47 117.51 120.19 1f0j h ILE 199 Ca 0.22 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1f0j h ILE 199 Cb -0.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1f0j h ILE 199 CO -0.04 0.16 -0.06 -0.26 0.00 0.00 0.00 178.15 177.95 1f0j h PHE 200 N 0.13 0.44 -0.07 1.37 -1.00 -0.65 -0.11 116.94 117.05 1f0j h PHE 200 Ca 0.06 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1f0j h PHE 200 Cb 0.19 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1f0j h PHE 200 CO -0.01 0.48 -0.05 1.96 -1.61 0.00 0.00 178.31 179.08 1f0j h GLN 201 N 0.40 0.16 -0.96 1.51 1.08 -0.99 -0.87 115.11 115.43 1f0j h GLN 201 Ca 0.08 -0.08 0.11 0.00 -1.45 0.00 0.00 58.65 57.32 1f0j h GLN 201 Cb 0.36 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.72 1f0j h GLN 201 CO 0.02 0.57 0.61 1.49 -0.95 0.00 0.00 178.83 180.57 1f0j h GLU 202 N -0.26 0.92 -0.44 1.46 4.57 -0.66 -1.74 114.58 118.44 1f0j h GLU 202 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1f0j h GLU 202 Cb 0.53 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1f0j h GLU 202 CO 0.01 0.61 0.00 0.54 -1.18 0.00 0.00 179.01 179.00 1f0j n ARG 203 N -4.57 2.33 -2.03 1.92 1.74 -0.09 -4.94 116.66 111.01 1f0j n ARG 203 Ca 0.17 -2.03 -0.14 0.00 -0.77 0.00 0.00 57.85 55.08 1f0j n ARG 203 Cb 0.34 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1f0j n ARG 203 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1f0j n ASP 204 N 1.20 -4.00 -0.00 0.55 8.00 -0.49 -4.84 116.55 116.96 1f0j n ASP 204 Ca 0.19 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1f0j n ASP 204 Cb 0.52 -3.50 0.31 0.00 -0.02 0.00 0.00 41.12 38.42 1f0j n ASP 204 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1f0j h LEU 205 N 0.00 0.49 -0.81 0.64 3.38 -1.49 -1.57 115.31 115.96 1f0j h LEU 205 Ca -0.31 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1f0j h LEU 205 Cb 1.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1f0j h LEU 205 CO 0.40 0.54 0.26 -0.07 0.09 0.00 0.00 178.44 179.66 1f0j h LEU 206 N 0.51 1.07 0.16 1.67 3.38 -1.84 -1.75 115.31 118.51 1f0j h LEU 206 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1f0j h LEU 206 Cb 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1f0j h LEU 206 CO 0.01 0.97 -0.08 0.11 0.09 0.00 0.00 178.44 179.54 1f0j h LYS 207 N 1.11 -0.21 -0.85 1.13 1.57 -1.71 0.11 116.57 117.72 1f0j h LYS 207 Ca 0.25 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1f0j h LYS 207 Cb 0.27 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1f0j h LYS 207 CO -0.01 0.14 0.51 1.15 -0.57 0.00 0.00 179.45 180.67 1f0j h THR 208 N -0.59 0.95 -0.60 -0.16 2.02 -1.21 -2.84 112.91 110.48 1f0j h THR 208 Ca -0.02 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1f0j h THR 208 Cb 0.45 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1f0j h THR 208 CO 0.04 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1f0j n PHE 209 N -4.69 1.17 -3.69 3.16 3.72 -0.67 -4.97 117.46 111.49 1f0j n PHE 209 Ca 0.14 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.73 1f0j n PHE 209 Cb 0.26 -0.16 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1f0j n PHE 209 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1f0j n ARG 210 N 1.04 -4.63 -3.76 -1.08 5.12 -0.80 -4.57 116.66 107.98 1f0j n ARG 210 Ca 0.23 0.62 -0.37 0.00 -1.93 0.00 0.00 57.85 56.40 1f0j n ARG 210 Cb 0.76 -5.14 -0.13 0.00 -1.16 0.00 0.00 32.46 26.79 1f0j n ARG 210 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1f0j s ILE 211 N -3.66 4.14 0.54 0.55 1.01 -0.04 -4.69 121.20 119.05 1f0j s ILE 211 Ca 0.04 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1f0j s ILE 211 Cb -0.01 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1f0j s ILE 211 CO 0.81 0.25 1.08 -0.94 0.00 0.00 0.00 174.94 176.15 1f0j s SER 212 N 1.57 5.89 0.44 3.58 1.04 -1.26 -4.63 113.70 120.33 1f0j s SER 212 Ca 0.05 2.01 0.11 0.00 0.48 0.00 0.00 55.95 58.60 1f0j s SER 212 Cb -0.16 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.38 1f0j s SER 212 CO 0.03 -1.09 2.05 0.28 0.98 0.00 0.00 173.24 175.48 1f0j h SER 213 N 1.09 0.36 0.31 7.02 0.02 -1.98 -0.83 113.55 119.54 1f0j h SER 213 Ca -0.49 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1f0j h SER 213 Cb 1.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1f0j h SER 213 CO 0.57 0.25 -0.15 -0.78 -1.14 0.00 0.00 176.83 175.58 1f0j h ASP 214 N 0.42 -0.36 -0.47 3.07 3.58 -1.98 -0.45 116.42 120.23 1f0j h ASP 214 Ca 0.17 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1f0j h ASP 214 Cb 0.15 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1f0j h ASP 214 CO -0.04 -0.18 0.23 0.74 -2.88 0.00 0.00 179.24 177.10 1f0j h THR 215 N -0.51 1.19 0.13 2.25 2.02 -1.62 -1.50 112.91 114.87 1f0j h THR 215 Ca -0.04 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1f0j h THR 215 Cb 0.38 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1f0j h THR 215 CO 0.07 0.20 -0.06 0.15 0.37 0.00 0.00 175.52 176.25 1f0j h PHE 216 N 0.62 -0.16 -0.58 3.16 3.57 -1.08 -0.82 116.94 121.63 1f0j h PHE 216 Ca 0.16 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1f0j h PHE 216 Cb 0.12 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1f0j h PHE 216 CO -0.01 -0.08 0.06 0.82 -2.23 0.00 0.00 178.31 176.87 1f0j h ILE 217 N -0.20 1.25 -0.26 1.41 2.04 -1.05 0.86 117.51 121.57 1f0j h ILE 217 Ca -0.02 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1f0j h ILE 217 Cb 0.15 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1f0j h ILE 217 CO 0.03 0.37 0.13 0.74 0.00 0.00 0.00 178.15 179.42 1f0j h THR 218 N 0.90 1.15 -0.13 -0.27 2.02 -1.09 0.61 112.91 116.09 1f0j h THR 218 Ca 0.18 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1f0j h THR 218 Cb 0.44 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1f0j h THR 218 CO 0.02 0.15 0.03 0.22 0.37 0.00 0.00 175.52 176.30 1f0j h TYR 219 N 0.30 0.22 -0.75 3.16 3.20 -0.96 -1.94 116.97 120.20 1f0j h TYR 219 Ca 0.09 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1f0j h TYR 219 Cb 0.12 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1f0j h TYR 219 CO -0.02 0.37 0.43 0.52 -1.64 0.00 0.00 178.16 177.82 1f0j h MET 220 N 0.00 1.03 -0.21 1.82 2.86 -0.69 0.25 114.93 119.99 1f0j h MET 220 Ca 0.04 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1f0j h MET 220 Cb 0.27 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1f0j h MET 220 CO 0.00 0.74 -0.15 0.52 1.06 0.00 0.00 176.91 179.09 1f0j h MET 221 N 1.03 0.35 -0.04 1.72 2.86 -0.85 0.28 114.93 120.27 1f0j h MET 221 Ca 0.27 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1f0j h MET 221 Cb -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1f0j h MET 221 CO -0.05 0.49 -0.06 1.15 1.06 0.00 0.00 176.91 179.51 1f0j h THR 222 N 0.32 1.41 0.01 2.22 2.02 -0.56 -2.05 112.91 116.27 1f0j h THR 222 Ca 0.06 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.95 1f0j h THR 222 Cb 0.45 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1f0j h THR 222 CO 0.03 0.35 -0.05 0.25 0.37 0.00 0.00 175.52 176.47 1f0j h LEU 223 N -0.37 -0.14 -1.50 2.58 5.85 -0.25 -2.45 115.31 119.02 1f0j h LEU 223 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1f0j h LEU 223 Cb 0.60 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1f0j h LEU 223 CO 0.01 -0.08 0.41 -0.08 -0.34 0.00 0.00 178.44 178.37 1f0j h GLU 224 N -0.09 0.60 0.00 1.25 4.81 -0.48 0.91 114.58 121.57 1f0j h GLU 224 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1f0j h GLU 224 Cb 0.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1f0j h GLU 224 CO -0.05 0.40 0.00 -3.47 -0.73 0.00 0.00 179.01 175.16 1f0j n ASP 225 N -4.47 0.28 -0.52 1.04 2.03 -0.77 -2.04 116.55 112.09 1f0j n ASP 225 Ca 0.09 0.56 0.14 0.00 0.52 0.00 0.00 54.79 56.09 1f0j n ASP 225 Cb 0.23 -0.62 0.49 0.00 -0.72 0.00 0.00 41.12 40.49 1f0j n ASP 225 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1f0j n HIS 226 N -1.79 0.00 -3.19 -0.67 8.25 0.31 -4.78 115.22 113.35 1f0j n HIS 226 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 1f0j n HIS 226 Cb 0.24 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 1f0j n HIS 226 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1f0j s TYR 227 N -2.00 3.40 -0.40 4.41 1.51 -0.87 -0.90 117.35 122.50 1f0j s TYR 227 Ca 0.37 1.09 -0.20 0.00 -1.01 0.00 0.00 57.07 57.32 1f0j s TYR 227 Cb 0.21 -2.44 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1f0j s TYR 227 CO 0.33 0.12 0.59 -1.01 -1.11 0.00 0.00 175.55 174.48 1f0j s HIS 228 N -1.99 3.12 -0.15 2.71 3.76 -1.26 -4.86 115.29 116.62 1f0j s HIS 228 Ca 0.52 0.04 0.28 0.00 -0.15 0.00 0.00 55.06 55.75 1f0j s HIS 228 Cb -0.10 -3.17 1.29 0.00 1.11 0.00 0.00 32.58 31.70 1f0j s HIS 228 CO 0.20 -0.73 1.84 0.66 -0.85 0.00 0.00 174.74 175.86 1f0j h SER 229 N 8.69 0.00 -0.26 1.40 4.64 -1.93 -2.08 113.55 124.01 1f0j h SER 229 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1f0j h SER 229 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1f0j h SER 229 CO 0.85 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.91 1f0j n ASP 230 N -2.54 2.40 -4.65 4.97 5.75 -1.26 -4.78 116.55 116.43 1f0j n ASP 230 Ca 0.00 -1.84 -0.39 0.00 -0.01 0.00 0.00 54.79 52.56 1f0j n ASP 230 Cb 0.19 -0.16 -0.08 0.00 -1.03 0.00 0.00 41.12 40.04 1f0j n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1f0j s VAL 231 N -1.67 5.17 0.27 2.12 1.01 -0.78 -4.99 120.40 121.52 1f0j s VAL 231 Ca 0.34 0.74 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1f0j s VAL 231 Cb 0.19 -3.75 0.27 0.00 0.00 0.00 0.00 36.38 33.09 1f0j s VAL 231 CO 0.28 0.21 1.90 0.00 0.00 0.00 0.00 175.10 177.49 1f0j h ALA 232 N 7.57 1.38 0.00 5.51 0.00 -1.86 -3.39 119.26 128.47 1f0j h ALA 232 Ca -0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1f0j h ALA 232 Cb 1.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1f0j h ALA 232 CO 0.71 0.50 -0.77 0.98 0.00 0.00 0.00 179.25 180.66 1f0j n TYR 233 N -4.46 0.00 -1.08 0.00 9.36 -1.25 -4.76 117.16 114.96 1f0j n TYR 233 Ca 0.14 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.04 1f0j n TYR 233 Cb 0.13 -0.20 -0.03 0.00 -0.63 0.00 0.00 39.34 38.61 1f0j n TYR 233 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1f0j n HIS 234 N -3.60 1.95 -3.70 2.98 8.25 -1.26 -4.25 115.22 115.60 1f0j n HIS 234 Ca -0.09 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.75 1f0j n HIS 234 Cb 0.34 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.30 1f0j n HIS 234 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1f0j n ASN 235 N 3.79 1.44 0.21 0.41 0.23 -1.26 -4.54 115.26 115.54 1f0j n ASN 235 Ca 0.65 -0.98 0.15 0.00 -0.53 0.00 0.00 54.58 53.87 1f0j n ASN 235 Cb 0.21 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.53 1f0j n ASN 235 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1f0j h SER 236 N 0.00 0.00 -0.31 0.53 4.64 -1.87 -2.45 113.55 114.10 1f0j h SER 236 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1f0j h SER 236 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1f0j h SER 236 CO 0.00 0.00 -0.42 0.25 -0.87 0.00 0.00 176.83 175.79 1f0j h LEU 237 N 0.00 0.93 -0.31 5.97 5.85 -1.96 0.88 115.31 126.68 1f0j h LEU 237 Ca 0.00 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 1f0j h LEU 237 Cb 0.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1f0j h LEU 237 CO 0.00 1.22 -0.14 -0.74 -0.34 0.00 0.00 178.44 178.44 1f0j h HIS 238 N 0.70 0.74 -0.83 1.25 2.76 -1.63 -1.03 115.15 117.12 1f0j h HIS 238 Ca 0.05 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 1f0j h HIS 238 Cb 1.00 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 1f0j h HIS 238 CO 0.06 0.86 0.44 0.00 -1.30 0.00 0.00 177.93 178.00 1f0j h ALA 239 N 0.77 1.06 -0.51 5.26 0.00 -1.32 -0.17 119.26 124.35 1f0j h ALA 239 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1f0j h ALA 239 Cb 0.66 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1f0j h ALA 239 CO 0.04 0.58 0.29 0.00 0.00 0.00 0.00 179.25 180.17 1f0j h ALA 240 N 1.24 0.66 -0.38 0.00 0.00 -0.66 -0.28 119.26 119.84 1f0j h ALA 240 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1f0j h ALA 240 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1f0j h ALA 240 CO -0.04 0.17 0.20 0.22 0.00 0.00 0.00 179.25 179.79 1f0j h ASP 241 N 0.68 0.48 -0.60 0.00 3.58 -0.71 -0.19 116.42 119.67 1f0j h ASP 241 Ca 0.18 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 1f0j h ASP 241 Cb 0.03 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1f0j h ASP 241 CO -0.03 0.44 0.03 0.58 -2.88 0.00 0.00 179.24 177.38 1f0j h VAL 242 N 0.48 1.26 -0.07 2.25 2.07 -0.76 0.90 116.25 122.37 1f0j h VAL 242 Ca 0.13 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1f0j h VAL 242 Cb 0.08 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1f0j h VAL 242 CO -0.02 0.41 0.02 0.00 0.02 0.00 0.00 177.57 178.00 1f0j h ALA 243 N 1.05 0.09 -0.45 1.67 0.00 -0.82 0.56 119.26 121.35 1f0j h ALA 243 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1f0j h ALA 243 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1f0j h ALA 243 CO 0.02 -0.32 -0.09 0.37 0.00 0.00 0.00 179.25 179.24 1f0j h GLN 244 N -0.06 0.80 -0.50 0.00 -0.00 -0.93 -0.35 115.11 114.07 1f0j h GLN 244 Ca 0.02 -0.26 -0.10 0.00 -0.00 0.00 0.00 58.65 58.31 1f0j h GLN 244 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 1f0j h GLN 244 CO -0.00 0.86 -0.10 0.77 0.00 0.00 0.00 178.83 180.36 1f0j h SER 245 N 0.73 0.91 -0.42 -0.69 0.02 -0.67 -1.57 113.55 111.86 1f0j h SER 245 Ca 0.13 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 1f0j h SER 245 Cb 0.57 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1f0j h SER 245 CO 0.03 1.02 -0.10 0.74 -1.14 0.00 0.00 176.83 177.39 1f0j h THR 246 N 0.82 1.26 -0.61 -2.27 2.02 -0.53 -0.72 112.91 112.87 1f0j h THR 246 Ca 0.13 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1f0j h THR 246 Cb 0.63 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1f0j h THR 246 CO 0.04 0.41 0.34 -0.74 0.37 0.00 0.00 175.52 175.94 1f0j h HIS 247 N 0.79 0.82 -0.04 3.16 -0.00 -0.64 0.09 115.15 119.33 1f0j h HIS 247 Ca 0.13 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1f0j h HIS 247 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1f0j h HIS 247 CO 0.03 0.58 -0.28 0.28 -0.00 0.00 0.00 177.93 178.54 1f0j h VAL 248 N 0.85 1.46 -0.71 5.26 2.07 -0.81 -3.26 116.25 121.11 1f0j h VAL 248 Ca 0.22 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1f0j h VAL 248 Cb 0.02 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1f0j h VAL 248 CO -0.04 0.50 0.47 -0.07 0.02 0.00 0.00 177.57 178.45 1f0j h LEU 249 N -0.28 0.78 -2.20 2.57 3.38 -0.83 -1.67 115.31 117.06 1f0j h LEU 249 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1f0j h LEU 249 Cb 0.95 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f0j h LEU 249 CO 0.06 0.56 -0.03 -0.07 0.09 0.00 0.00 178.44 179.05 1f0j h LEU 250 N 0.92 0.00 -2.67 1.67 3.38 -1.03 -1.92 115.31 115.66 1f0j h LEU 250 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1f0j h LEU 250 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1f0j h LEU 250 CO -0.07 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.29 1f0j n SER 251 N -4.10 4.08 -4.74 -0.43 7.64 -0.63 -4.76 113.62 110.68 1f0j n SER 251 Ca -0.03 -2.37 -0.42 0.00 1.01 0.00 0.00 58.87 57.06 1f0j n SER 251 Cb 0.11 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1f0j n SER 251 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1f0j s THR 252 N -1.80 2.67 0.30 0.44 -1.32 -0.73 -4.88 115.64 110.32 1f0j s THR 252 Ca 0.43 0.53 0.01 0.00 -1.21 0.00 0.00 61.69 61.45 1f0j s THR 252 Cb 0.28 -3.34 0.40 0.00 -1.51 0.00 0.00 72.50 68.33 1f0j s THR 252 CO 0.21 0.07 1.58 -0.65 -2.21 0.00 0.00 174.62 173.61 1f0j h PRO 253 N 5.66 0.02 -0.05 7.08 0.11 -1.92 0.20 132.00 143.10 1f0j h PRO 253 Ca -0.45 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1f0j h PRO 253 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1f0j h PRO 253 CO 0.82 0.01 0.09 0.00 -0.21 0.00 0.00 178.00 178.72 1f0j h ALA 254 N 1.96 1.40 -0.45 -0.75 0.00 -1.90 -1.84 119.26 117.68 1f0j h ALA 254 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1f0j h ALA 254 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1f0j h ALA 254 CO -0.90 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 179.52 1f0j n LEU 255 N -3.46 3.28 -4.61 0.00 4.77 0.05 -0.68 117.00 116.34 1f0j n LEU 255 Ca -0.02 -1.79 -0.50 0.00 -0.03 0.00 0.00 56.01 53.67 1f0j n LEU 255 Cb 0.18 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1f0j n LEU 255 CO 0.23 0.78 0.99 -0.67 -1.33 0.00 0.00 177.39 177.39 1f0j n ASP 256 N 1.11 2.08 -0.69 -1.43 2.03 -0.69 -1.37 116.55 117.59 1f0j n ASP 256 Ca 0.17 1.11 -0.09 0.00 0.52 0.00 0.00 54.79 56.50 1f0j n ASP 256 Cb 0.52 -1.26 -0.04 0.00 -0.72 0.00 0.00 41.12 39.62 1f0j n ASP 256 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f0j n ALA 257 N 2.78 -0.13 0.03 -1.67 0.00 -1.26 -4.85 120.51 115.40 1f0j n ALA 257 Ca 0.18 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 1f0j n ALA 257 Cb 0.22 -1.71 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 1f0j n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1f0j h VAL 258 N 0.00 1.54 -3.25 0.00 2.07 -1.57 -3.47 116.25 111.57 1f0j h VAL 258 Ca -0.18 -2.43 -0.57 0.00 0.82 0.00 0.00 66.70 64.34 1f0j h VAL 258 Cb 1.13 3.13 -0.04 0.00 -1.52 0.00 0.00 31.29 34.00 1f0j h VAL 258 CO 0.27 0.68 -0.23 -0.36 0.02 0.00 0.00 177.57 177.94 1f0j s PHE 259 N -2.54 3.48 0.84 1.57 0.08 -1.26 -4.97 117.98 115.18 1f0j s PHE 259 Ca -0.14 0.70 -0.12 0.00 0.12 0.00 0.00 56.93 57.49 1f0j s PHE 259 Cb 0.01 -2.12 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 1f0j s PHE 259 CO 0.81 0.39 1.18 0.95 -0.10 0.00 0.00 175.22 178.46 1f0j s THR 260 N -1.67 2.00 0.36 0.64 -4.23 -1.26 -4.87 115.64 106.60 1f0j s THR 260 Ca 0.42 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1f0j s THR 260 Cb -0.12 -2.96 0.08 0.00 1.34 0.00 0.00 72.50 70.84 1f0j s THR 260 CO 0.22 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.55 1f0j h ASP 261 N -1.18 0.00 -0.05 3.99 3.32 -1.99 -1.88 116.42 118.64 1f0j h ASP 261 Ca -0.47 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 1f0j h ASP 261 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1f0j h ASP 261 CO 0.63 0.40 -0.43 0.25 -1.72 0.00 0.00 179.24 178.37 1f0j h LEU 262 N 0.00 0.62 -0.49 1.55 5.85 -1.98 -0.28 115.31 120.57 1f0j h LEU 262 Ca -0.00 -0.29 -0.17 0.00 0.84 0.00 0.00 57.88 58.26 1f0j h LEU 262 Cb 0.71 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1f0j h LEU 262 CO 0.05 0.97 -0.58 -0.33 -0.34 0.00 0.00 178.44 178.21 1f0j h GLU 263 N 0.48 0.54 -0.31 1.25 5.08 -1.84 0.39 114.58 120.16 1f0j h GLU 263 Ca 0.04 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1f0j h GLU 263 Cb 0.94 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1f0j h GLU 263 CO 0.08 0.97 -0.05 0.82 -1.00 0.00 0.00 179.01 179.83 1f0j h ILE 264 N 0.41 1.27 -0.29 3.13 2.04 -1.20 -1.01 117.51 121.85 1f0j h ILE 264 Ca 0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1f0j h ILE 264 Cb 1.13 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1f0j h ILE 264 CO 0.11 0.34 0.19 0.25 0.00 0.00 0.00 178.15 179.04 1f0j h LEU 265 N 0.36 0.34 -0.68 1.44 5.85 -0.94 -2.27 115.31 119.41 1f0j h LEU 265 Ca 0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f0j h LEU 265 Cb 0.52 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1f0j h LEU 265 CO 0.03 0.26 0.42 0.00 -0.34 0.00 0.00 178.44 178.81 1f0j h ALA 266 N 1.10 0.86 -0.30 1.25 0.00 -0.77 -0.54 119.26 120.85 1f0j h ALA 266 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1f0j h ALA 266 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1f0j h ALA 266 CO -0.02 0.32 0.05 0.00 0.00 0.00 0.00 179.25 179.60 1f0j h ALA 267 N 1.22 0.40 -0.36 0.00 0.00 -0.99 0.13 119.26 119.66 1f0j h ALA 267 Ca 0.24 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1f0j h ALA 267 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1f0j h ALA 267 CO -0.05 0.09 -0.36 0.82 0.00 0.00 0.00 179.25 179.75 1f0j h ILE 268 N 0.33 1.28 -0.42 0.00 2.04 -1.35 -1.43 117.51 117.96 1f0j h ILE 268 Ca 0.09 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1f0j h ILE 268 Cb 0.34 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1f0j h ILE 268 CO 0.01 0.51 0.16 0.15 0.00 0.00 0.00 178.15 178.98 1f0j h PHE 269 N 0.70 0.64 -0.26 1.37 3.57 -0.98 -1.07 116.94 120.92 1f0j h PHE 269 Ca 0.06 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1f0j h PHE 269 Cb 0.93 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1f0j h PHE 269 CO 0.05 0.56 0.05 0.00 -2.23 0.00 0.00 178.31 176.74 1f0j h ALA 270 N 1.01 0.26 -0.78 2.41 0.00 -0.57 -1.70 119.26 119.89 1f0j h ALA 270 Ca 0.14 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1f0j h ALA 270 Cb 0.19 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1f0j h ALA 270 CO -0.01 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.35 1f0j h ALA 271 N 1.19 1.05 -0.83 0.00 0.00 -0.98 0.42 119.26 120.12 1f0j h ALA 271 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1f0j h ALA 271 Cb 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1f0j h ALA 271 CO -0.16 0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.71 1f0j h ALA 272 N 1.36 1.07 -0.01 0.00 0.00 -0.51 -3.18 119.26 117.99 1f0j h ALA 272 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f0j h ALA 272 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1f0j h ALA 272 CO -0.15 0.65 -0.43 0.44 0.00 0.00 0.00 179.25 179.76 1f0j n ILE 273 N -4.31 0.00 0.28 0.00 -5.35 -0.70 -4.66 119.36 104.62 1f0j n ILE 273 Ca 0.08 -0.24 0.15 0.00 -0.27 0.00 0.00 62.75 62.47 1f0j n ILE 273 Cb 0.15 1.08 0.80 0.00 -1.74 0.00 0.00 39.64 39.93 1f0j n ILE 273 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1f0j h HIS 274 N 2.22 0.00 0.00 4.28 2.07 -0.89 -2.32 115.15 120.50 1f0j h HIS 274 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1f0j h HIS 274 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1f0j h HIS 274 CO 0.00 0.00 -0.24 -0.25 -3.07 0.00 0.00 177.93 174.37 1f0j n ASP 275 N -2.70 1.06 -4.76 3.10 8.00 -1.26 -4.86 116.55 115.12 1f0j n ASP 275 Ca -0.02 -2.39 -0.41 0.00 0.71 0.00 0.00 54.79 52.68 1f0j n ASP 275 Cb 0.26 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1f0j n ASP 275 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1f0j s VAL 276 N -1.23 2.21 -1.28 2.53 0.11 -0.88 -2.24 120.40 119.62 1f0j s VAL 276 Ca 0.13 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1f0j s VAL 276 Cb 0.11 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1f0j s VAL 276 CO 0.01 0.03 0.10 -0.67 -3.33 0.00 0.00 175.10 171.25 1f0j n ASP 277 N 1.74 -4.71 -4.70 3.54 2.03 -0.08 -4.37 116.55 110.00 1f0j n ASP 277 Ca 0.06 -0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1f0j n ASP 277 Cb 0.39 -3.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 1f0j n ASP 277 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1f0j s HIS 278 N -2.83 3.22 -1.58 -0.67 5.65 -0.95 -4.93 115.29 113.20 1f0j s HIS 278 Ca 0.05 1.16 0.30 0.00 0.25 0.00 0.00 55.06 56.82 1f0j s HIS 278 Cb -0.02 -3.48 1.57 0.00 -1.18 0.00 0.00 32.58 29.46 1f0j s HIS 278 CO 0.06 -1.58 2.07 -0.35 -0.65 0.00 0.00 174.74 174.29 1f0j n PRO 279 N 4.68 0.59 -0.68 2.88 -0.04 -1.26 -4.48 135.00 136.69 1f0j n PRO 279 Ca 0.11 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1f0j n PRO 279 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1f0j n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f0j n GLY 280 N 1.22 0.61 3.15 0.55 0.00 -1.26 -4.98 105.19 104.48 1f0j n GLY 280 Ca 0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1f0j n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f0j s VAL 281 N -2.00 0.61 0.79 1.61 -7.23 -1.26 -4.52 120.40 108.40 1f0j s VAL 281 Ca 0.00 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 1f0j s VAL 281 Cb 0.00 -1.63 0.06 0.00 0.56 0.00 0.00 36.38 35.38 1f0j s VAL 281 CO 0.00 -0.88 1.12 -0.94 -0.31 0.00 0.00 175.10 174.09 1f0j s SER 282 N -2.98 4.66 0.28 4.85 1.04 -1.26 -4.93 113.70 115.36 1f0j s SER 282 Ca 0.10 1.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.59 1f0j s SER 282 Cb 0.05 -1.76 0.39 0.00 0.10 0.00 0.00 66.02 64.80 1f0j s SER 282 CO -0.05 -1.83 1.93 0.78 0.98 0.00 0.00 173.24 175.04 1f0j h ASN 283 N -1.00 1.03 -0.20 7.02 2.35 -2.01 -2.05 115.58 120.72 1f0j h ASN 283 Ca -0.47 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 1f0j h ASN 283 Cb 1.29 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1f0j h ASN 283 CO 0.63 0.72 -0.01 -0.61 -1.65 0.00 0.00 177.43 176.51 1f0j h GLN 284 N 1.20 0.49 -0.58 0.81 5.75 -1.97 -0.22 115.11 120.59 1f0j h GLN 284 Ca 0.36 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1f0j h GLN 284 Cb -0.04 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1f0j h GLN 284 CO -0.10 0.52 0.18 0.35 -2.65 0.00 0.00 178.83 177.13 1f0j h PHE 285 N 0.47 0.93 -0.63 3.99 3.04 -1.75 0.26 116.94 123.26 1f0j h PHE 285 Ca 0.10 -0.10 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 1f0j h PHE 285 Cb 0.32 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 1f0j h PHE 285 CO 0.01 0.78 0.09 -0.07 -2.02 0.00 0.00 178.31 177.10 1f0j h LEU 286 N 0.82 0.99 -0.22 0.59 3.38 -0.97 -2.07 115.31 117.82 1f0j h LEU 286 Ca 0.19 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1f0j h LEU 286 Cb 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1f0j h LEU 286 CO -0.01 0.99 -0.17 0.40 0.09 0.00 0.00 178.44 179.75 1f0j h ILE 287 N 0.97 1.32 0.00 1.22 2.04 -0.71 -0.85 117.51 121.49 1f0j h ILE 287 Ca 0.19 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1f0j h ILE 287 Cb 0.43 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1f0j h ILE 287 CO 0.01 0.40 -0.16 0.78 0.00 0.00 0.00 178.15 179.18 1f0j h ASN 288 N 0.20 0.00 -0.14 1.72 2.35 -0.34 -2.35 115.58 117.02 1f0j h ASN 288 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1f0j h ASN 288 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1f0j h ASN 288 CO 0.04 0.16 0.00 0.35 -1.65 0.00 0.00 177.43 176.33 1f0j n THR 289 N -3.80 0.17 -3.52 2.81 -2.24 -0.79 -4.93 114.28 101.98 1f0j n THR 289 Ca -0.02 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.12 1f0j n THR 289 Cb 0.26 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1f0j n THR 289 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f0j n ASN 290 N 0.69 -5.91 -4.72 3.42 3.02 -0.88 -4.94 115.26 105.95 1f0j n ASN 290 Ca 0.17 -0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 53.80 1f0j n ASN 290 Cb 0.44 -4.74 -0.00 0.00 -0.61 0.00 0.00 39.78 34.86 1f0j n ASN 290 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1f0j n SER 291 N -2.73 2.96 -0.02 6.41 2.88 -0.33 -4.86 113.62 117.92 1f0j n SER 291 Ca -0.01 1.19 0.11 0.00 -1.33 0.00 0.00 58.87 58.83 1f0j n SER 291 Cb 0.56 -1.52 0.51 0.00 -0.75 0.00 0.00 64.21 63.01 1f0j n SER 291 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1f0j h GLU 292 N 2.54 0.36 -0.41 -1.46 4.81 -1.92 -1.56 114.58 116.93 1f0j h GLU 292 Ca -0.48 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1f0j h GLU 292 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1f0j h GLU 292 CO 0.62 0.24 0.06 1.25 -0.73 0.00 0.00 179.01 180.45 1f0j h LEU 293 N 0.37 0.67 -0.88 1.64 5.85 -1.93 -1.02 115.31 120.00 1f0j h LEU 293 Ca 0.22 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1f0j h LEU 293 Cb 0.40 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1f0j h LEU 293 CO -0.05 0.76 -0.13 0.00 -0.34 0.00 0.00 178.44 178.68 1f0j h ALA 294 N 0.93 1.05 -0.29 1.25 0.00 -1.60 -1.83 119.26 118.77 1f0j h ALA 294 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1f0j h ALA 294 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1f0j h ALA 294 CO 0.01 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.54 1f0j h LEU 295 N 0.62 0.56 -0.43 0.00 3.38 -1.06 -0.67 115.31 117.71 1f0j h LEU 295 Ca 0.11 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1f0j h LEU 295 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1f0j h LEU 295 CO 0.04 0.78 -0.42 -0.03 0.09 0.00 0.00 178.44 178.90 1f0j h MET 296 N 0.50 0.86 -0.64 1.13 4.05 -0.77 -3.21 114.93 116.85 1f0j h MET 296 Ca 0.07 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1f0j h MET 296 Cb 0.66 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1f0j h MET 296 CO 0.05 1.11 0.00 0.66 0.23 0.00 0.00 176.91 178.96 1f0j n TYR 297 N -4.04 1.74 -4.02 1.39 4.01 -0.72 -4.96 117.16 110.56 1f0j n TYR 297 Ca -0.02 -0.65 -0.32 0.00 -0.16 0.00 0.00 57.90 56.75 1f0j n TYR 297 Cb 0.56 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1f0j n TYR 297 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1f0j n ASN 298 N 0.97 -3.87 -0.05 7.72 3.02 -0.39 -1.69 115.26 120.96 1f0j n ASN 298 Ca 0.27 -0.88 -0.01 0.00 -0.03 0.00 0.00 54.58 53.94 1f0j n ASN 298 Cb 1.02 -3.45 -0.00 0.00 -0.61 0.00 0.00 39.78 36.73 1f0j n ASN 298 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1f0j n ASP 299 N -2.79 -5.84 -4.46 6.41 8.00 -0.41 -4.96 116.55 112.50 1f0j n ASP 299 Ca 0.02 0.02 -0.36 0.00 0.71 0.00 0.00 54.79 55.18 1f0j n ASP 299 Cb 0.53 -3.48 -0.12 0.00 -0.02 0.00 0.00 41.12 38.03 1f0j n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1f0j s GLU 300 N -2.01 3.66 -1.42 -1.24 2.02 -0.68 -4.56 118.70 114.47 1f0j s GLU 300 Ca 0.00 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 1f0j s GLU 300 Cb 0.00 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1f0j s GLU 300 CO 0.00 -0.12 0.08 0.43 0.02 0.00 0.00 175.26 175.68 1f0j n SER 301 N 4.70 0.28 0.10 -0.19 7.64 -1.26 -4.79 113.62 120.09 1f0j n SER 301 Ca -0.16 -1.21 -0.16 0.00 1.01 0.00 0.00 58.87 58.35 1f0j n SER 301 Cb 0.51 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.12 1f0j n SER 301 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1f0j h VAL 302 N -1.72 0.02 -0.57 0.44 2.07 -1.87 -0.30 116.25 114.31 1f0j h VAL 302 Ca -0.63 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1f0j h VAL 302 Cb 1.32 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1f0j h VAL 302 CO 0.65 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 178.32 1f0j h LEU 303 N -0.73 0.86 -0.61 2.57 3.38 -1.95 -2.19 115.31 116.63 1f0j h LEU 303 Ca 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1f0j h LEU 303 Cb 0.75 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1f0j h LEU 303 CO -0.30 0.86 0.41 -0.33 0.09 0.00 0.00 178.44 179.16 1f0j h GLU 304 N 0.82 0.81 -0.80 1.13 3.07 -1.86 0.22 114.58 117.96 1f0j h GLU 304 Ca 0.18 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1f0j h GLU 304 Cb 0.33 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 1f0j h GLU 304 CO -0.00 0.54 0.36 -0.91 -1.40 0.00 0.00 179.01 177.60 1f0j h ASN 305 N 0.83 1.07 -0.39 1.42 2.35 -0.94 -2.78 115.58 117.14 1f0j h ASN 305 Ca 0.22 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1f0j h ASN 305 Cb -0.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 1f0j h ASN 305 CO -0.05 0.92 0.05 -0.74 -1.65 0.00 0.00 177.43 175.96 1f0j h HIS 306 N 1.15 0.70 -0.74 1.19 2.76 -0.68 -1.23 115.15 118.31 1f0j h HIS 306 Ca 0.27 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1f0j h HIS 306 Cb 0.16 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 28.86 1f0j h HIS 306 CO 0.02 0.70 0.41 0.45 -1.30 0.00 0.00 177.93 178.21 1f0j h HIS 307 N 0.49 0.74 -0.19 5.26 3.86 -0.43 0.17 115.15 125.04 1f0j h HIS 307 Ca 0.12 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1f0j h HIS 307 Cb 0.39 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1f0j h HIS 307 CO 0.03 0.31 -0.00 -0.07 0.86 0.00 0.00 177.93 179.05 1f0j h LEU 308 N 0.71 0.33 -0.85 2.43 3.38 -1.32 0.10 115.31 120.08 1f0j h LEU 308 Ca 0.35 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1f0j h LEU 308 Cb 0.31 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1f0j h LEU 308 CO -0.23 0.56 0.55 0.00 0.09 0.00 0.00 178.44 179.42 1f0j h ALA 309 N 0.78 1.11 -0.18 1.53 0.00 -0.62 -1.51 119.26 120.38 1f0j h ALA 309 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1f0j h ALA 309 Cb 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1f0j h ALA 309 CO 0.01 0.42 -0.15 0.28 0.00 0.00 0.00 179.25 179.81 1f0j h VAL 310 N 1.09 1.33 -0.71 0.00 2.07 -0.89 -0.29 116.25 118.84 1f0j h VAL 310 Ca 0.33 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.65 1f0j h VAL 310 Cb -0.04 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1f0j h VAL 310 CO -0.10 0.39 0.38 1.23 0.02 0.00 0.00 177.57 179.48 1f0j h GLY 311 N 0.08 1.07 1.56 2.17 0.00 -0.62 -1.48 103.07 105.85 1f0j h GLY 311 Ca 0.03 -0.24 -0.28 0.00 0.00 0.00 0.00 47.33 46.83 1f0j h GLY 311 CO 0.04 0.10 -1.27 0.74 0.00 0.00 0.00 176.54 176.14 1f0j h PHE 312 N 0.65 0.59 -0.79 5.60 0.04 -1.29 -3.32 116.94 118.42 1f0j h PHE 312 Ca 0.34 -0.43 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1f0j h PHE 312 Cb 0.32 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1f0j h PHE 312 CO -0.09 1.33 0.48 -0.22 -0.60 0.00 0.00 178.31 179.20 1f0j h LYS 313 N 0.10 1.07 0.00 1.51 1.63 -0.69 -2.36 116.57 117.83 1f0j h LYS 313 Ca -0.15 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1f0j h LYS 313 Cb 1.99 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 1f0j h LYS 313 CO 0.22 0.75 0.00 1.28 -3.45 0.00 0.00 179.45 178.24 1f0j n LEU 314 N -4.38 0.48 0.27 5.20 4.77 -0.59 -1.73 117.00 121.02 1f0j n LEU 314 Ca 0.08 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.88 1f0j n LEU 314 Cb 0.06 -0.66 0.71 0.00 -2.33 0.00 0.00 43.42 41.21 1f0j n LEU 314 CO 0.37 -0.67 0.97 -0.07 -1.33 0.00 0.00 177.39 176.66 1f0j h LEU 315 N 0.00 0.00 0.00 2.23 3.38 -1.57 -2.71 115.31 116.64 1f0j h LEU 315 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f0j h LEU 315 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1f0j h LEU 315 CO 0.00 0.09 -0.18 0.00 0.09 0.00 0.00 178.44 178.44 1f0j n GLN 316 N -3.32 0.03 -1.36 1.13 6.02 -0.70 -2.33 117.38 116.85 1f0j n GLN 316 Ca -0.01 0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 1f0j n GLN 316 Cb 0.29 -1.53 0.11 0.00 1.02 0.00 0.00 30.24 30.13 1f0j n GLN 316 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1f0j s GLU 317 N -3.01 1.77 -0.06 -1.09 2.02 -1.02 -4.89 118.70 112.41 1f0j s GLU 317 Ca 0.13 0.80 -0.37 0.00 0.02 0.00 0.00 54.97 55.55 1f0j s GLU 317 Cb 0.18 -1.87 -0.15 0.00 0.10 0.00 0.00 34.13 32.39 1f0j s GLU 317 CO 0.59 -1.88 1.64 -1.91 0.02 0.00 0.00 175.26 173.72 1f0j n GLU 318 N -3.63 1.56 -2.43 1.61 4.07 -1.26 -1.86 120.64 118.70 1f0j n GLU 318 Ca 0.07 0.57 -0.19 0.00 -0.06 0.00 0.00 57.16 57.55 1f0j n GLU 318 Cb 0.55 -2.29 -0.01 0.00 -0.06 0.00 0.00 31.44 29.63 1f0j n GLU 318 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1f0j n HIS 319 N 4.56 -1.11 0.27 4.31 8.25 -1.26 -4.89 115.22 125.35 1f0j n HIS 319 Ca 0.22 0.02 0.05 0.00 -0.26 0.00 0.00 57.72 57.75 1f0j n HIS 319 Cb 0.21 -3.77 0.07 0.00 1.12 0.00 0.00 29.99 27.63 1f0j n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f0j s ASP 321 N -0.92 6.70 0.00 0.00 2.15 -0.98 -4.49 116.67 119.13 1f0j s ASP 321 Ca 0.15 -2.07 0.16 0.00 0.43 0.00 0.00 52.55 51.22 1f0j s ASP 321 Cb 0.10 -2.51 0.72 0.00 -0.30 0.00 0.00 42.92 40.93 1f0j s ASP 321 CO 0.14 -1.21 1.48 2.30 -0.17 0.00 0.00 175.17 177.71 1f0j n ILE 322 N 6.10 0.77 -0.19 4.11 -5.35 -1.26 -2.26 119.36 121.28 1f0j n ILE 322 Ca 0.36 0.19 0.07 0.00 -0.27 0.00 0.00 62.75 63.10 1f0j n ILE 322 Cb 0.48 -0.93 0.19 0.00 -1.74 0.00 0.00 39.64 37.64 1f0j n ILE 322 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1f0j n PHE 323 N -1.41 0.56 -0.34 4.28 3.72 -1.26 -4.67 117.46 118.34 1f0j n PHE 323 Ca 0.05 -0.48 0.13 0.00 -0.05 0.00 0.00 57.45 57.11 1f0j n PHE 323 Cb 0.16 -0.02 0.34 0.00 -0.94 0.00 0.00 39.48 39.02 1f0j n PHE 323 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1f0j h MET 324 N 2.56 0.72 -0.38 -1.08 1.85 -1.82 -1.97 114.93 114.80 1f0j h MET 324 Ca 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1f0j h MET 324 Cb 0.78 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1f0j h MET 324 CO 0.00 0.47 0.00 0.09 -0.40 0.00 0.00 176.91 177.07 1f0j n ASN 325 N -4.74 2.44 -4.87 1.39 3.02 -1.26 -4.89 115.26 106.35 1f0j n ASN 325 Ca 0.23 -1.92 -0.31 0.00 -0.03 0.00 0.00 54.58 52.55 1f0j n ASN 325 Cb 0.58 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 1f0j n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f0j s LEU 326 N -1.22 3.53 0.79 3.41 1.43 -0.74 -4.92 118.68 120.96 1f0j s LEU 326 Ca 0.33 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 1f0j s LEU 326 Cb 0.18 -4.29 0.07 0.00 0.03 0.00 0.00 46.19 42.17 1f0j s LEU 326 CO 0.24 -0.65 1.09 0.42 0.23 0.00 0.00 176.35 177.69 1f0j s THR 327 N -2.78 3.21 0.24 5.49 -4.23 -1.26 -4.80 115.64 111.50 1f0j s THR 327 Ca 0.54 0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 61.38 1f0j s THR 327 Cb -0.10 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.87 1f0j s THR 327 CO 0.41 -0.51 1.87 0.50 -0.54 0.00 0.00 174.62 176.35 1f0j h LYS 328 N -1.09 1.01 -0.64 3.99 3.64 -1.97 -0.46 116.57 121.05 1f0j h LYS 328 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1f0j h LYS 328 Cb 1.26 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1f0j h LYS 328 CO 0.57 0.66 0.35 -0.22 -2.27 0.00 0.00 179.45 178.55 1f0j h LYS 329 N 1.04 0.89 -0.59 1.90 1.63 -1.99 -0.78 116.57 118.66 1f0j h LYS 329 Ca 0.36 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1f0j h LYS 329 Cb 0.07 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1f0j h LYS 329 CO -0.14 0.67 0.19 1.96 -3.45 0.00 0.00 179.45 178.68 1f0j h GLN 330 N 0.88 0.91 -0.74 1.90 4.20 -1.71 -1.10 115.11 119.45 1f0j h GLN 330 Ca 0.23 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1f0j h GLN 330 Cb 0.04 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1f0j h GLN 330 CO -0.04 0.81 0.29 0.00 -0.67 0.00 0.00 178.83 179.22 1f0j h ARG 331 N 0.83 1.11 -0.30 1.46 3.08 -0.76 0.13 114.38 119.93 1f0j h ARG 331 Ca 0.19 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1f0j h ARG 331 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1f0j h ARG 331 CO -0.01 0.92 0.11 1.96 -1.07 0.00 0.00 179.97 181.88 1f0j h GLN 332 N 1.07 0.46 -0.27 0.04 4.20 -0.90 -0.02 115.11 119.69 1f0j h GLN 332 Ca 0.25 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1f0j h GLN 332 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1f0j h GLN 332 CO -0.02 0.48 0.00 1.15 -0.67 0.00 0.00 178.83 179.78 1f0j h THR 333 N 0.34 1.25 -0.53 -0.54 2.02 -0.99 -1.46 112.91 113.00 1f0j h THR 333 Ca 0.10 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1f0j h THR 333 Cb 0.20 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1f0j h THR 333 CO -0.01 0.29 0.25 0.25 0.37 0.00 0.00 175.52 176.67 1f0j h LEU 334 N 0.27 0.69 -0.57 2.58 6.46 -0.68 -1.54 115.31 122.52 1f0j h LEU 334 Ca 0.08 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1f0j h LEU 334 Cb 0.42 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1f0j h LEU 334 CO 0.01 0.63 0.36 -0.09 -0.62 0.00 0.00 178.44 178.73 1f0j h ARG 335 N 0.71 0.69 -0.43 1.25 2.43 -0.91 0.12 114.38 118.25 1f0j h ARG 335 Ca 0.18 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1f0j h ARG 335 Cb 0.13 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1f0j h ARG 335 CO -0.02 0.46 0.22 -0.22 -1.51 0.00 0.00 179.97 178.90 1f0j h LYS 336 N 0.72 0.44 -0.50 0.20 3.64 -0.94 -1.23 116.57 118.90 1f0j h LYS 336 Ca 0.22 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1f0j h LYS 336 Cb -0.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1f0j h LYS 336 CO -0.08 0.29 -0.17 0.52 -2.27 0.00 0.00 179.45 177.74 1f0j h MET 337 N 0.45 0.99 -0.38 1.90 2.86 -0.71 -2.04 114.93 118.00 1f0j h MET 337 Ca 0.18 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1f0j h MET 337 Cb 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1f0j h MET 337 CO -0.11 1.08 0.04 0.28 1.06 0.00 0.00 176.91 179.26 1f0j h VAL 338 N 0.85 1.25 -0.28 -2.22 2.07 -0.54 -1.05 116.25 116.33 1f0j h VAL 338 Ca 0.12 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1f0j h VAL 338 Cb 0.74 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1f0j h VAL 338 CO 0.06 0.30 0.18 0.40 0.02 0.00 0.00 177.57 178.53 1f0j h ILE 339 N 0.47 1.06 -0.20 4.57 2.04 -1.21 -0.79 117.51 123.45 1f0j h ILE 339 Ca 0.11 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1f0j h ILE 339 Cb 0.39 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1f0j h ILE 339 CO 0.01 0.07 -0.08 -0.78 0.00 0.00 0.00 178.15 177.37 1f0j h ASP 340 N 0.37 -0.27 -0.55 1.72 1.82 -1.16 -0.99 116.42 117.37 1f0j h ASP 340 Ca 0.11 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.75 1f0j h ASP 340 Cb -0.03 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1f0j h ASP 340 CO -0.03 -0.10 0.07 0.24 -1.61 0.00 0.00 179.24 177.80 1f0j h MET 341 N -0.04 0.93 -0.28 0.28 2.86 -0.88 -2.41 114.93 115.39 1f0j h MET 341 Ca 0.11 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 1f0j h MET 341 Cb 0.20 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1f0j h MET 341 CO -0.24 0.91 -0.34 0.28 1.06 0.00 0.00 176.91 178.58 1f0j h VAL 342 N 0.81 1.30 -0.20 -2.22 2.07 -0.98 -2.71 116.25 114.32 1f0j h VAL 342 Ca 0.16 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1f0j h VAL 342 Cb 0.45 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1f0j h VAL 342 CO 0.02 0.49 0.14 -0.07 0.02 0.00 0.00 177.57 178.16 1f0j h LEU 343 N 0.46 0.14 0.00 2.57 3.38 -1.17 -0.89 115.31 119.81 1f0j h LEU 343 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1f0j h LEU 343 Cb 0.93 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1f0j h LEU 343 CO 0.08 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1f0j n ALA 344 N -2.53 1.83 1.42 1.53 0.00 -0.91 -2.64 120.51 119.21 1f0j n ALA 344 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1f0j n ALA 344 Cb 0.16 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 19.00 1f0j n ALA 344 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1f0j n THR 345 N -1.44 0.00 -2.07 0.00 -2.24 -0.34 -4.76 114.28 103.43 1f0j n THR 345 Ca 0.05 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1f0j n THR 345 Cb 0.19 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 1f0j n THR 345 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f0j s ASP 346 N -2.51 6.28 0.53 3.42 -1.08 -1.08 -4.85 116.67 117.38 1f0j s ASP 346 Ca 0.29 1.59 0.28 0.00 -0.52 0.00 0.00 52.55 54.19 1f0j s ASP 346 Cb 0.20 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.64 1f0j s ASP 346 CO 0.47 -1.35 1.83 0.24 0.52 0.00 0.00 175.17 176.88 1f0j h MET 347 N 11.18 0.00 0.00 4.34 2.86 -1.92 0.12 114.93 131.51 1f0j h MET 347 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1f0j h MET 347 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1f0j h MET 347 CO 1.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.84 1f0j n SER 348 N -2.64 0.00 -0.70 1.22 3.41 -1.26 -2.34 113.62 111.31 1f0j n SER 348 Ca -0.02 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1f0j n SER 348 Cb 0.25 -0.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.80 1f0j n SER 348 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1f0j n LYS 349 N -1.48 1.45 0.07 4.33 4.76 0.42 -4.72 118.16 122.98 1f0j n LYS 349 Ca 0.05 -1.56 -0.10 0.00 -2.87 0.00 0.00 58.31 53.83 1f0j n LYS 349 Cb 0.23 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.03 1f0j n LYS 349 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1f0j h HIS 350 N 3.35 -0.98 -0.87 2.13 -0.00 -1.55 -1.03 115.15 116.21 1f0j h HIS 350 Ca 0.00 0.03 0.19 0.00 -0.00 0.00 0.00 60.37 60.59 1f0j h HIS 350 Cb 0.72 0.42 -0.11 0.00 -0.00 0.00 0.00 27.41 28.43 1f0j h HIS 350 CO 0.02 -0.38 0.38 0.52 -0.00 0.00 0.00 177.93 178.47 1f0j h MET 351 N -0.47 0.43 -0.51 5.26 2.86 -1.84 0.14 114.93 120.79 1f0j h MET 351 Ca -0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1f0j h MET 351 Cb 0.48 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1f0j h MET 351 CO -0.19 0.29 -0.08 0.66 1.06 0.00 0.00 176.91 178.65 1f0j h SER 352 N 0.45 0.93 0.13 1.22 4.64 -1.83 -1.24 113.55 117.84 1f0j h SER 352 Ca 0.52 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1f0j h SER 352 Cb 0.92 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1f0j h SER 352 CO -0.48 1.03 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.38 1f0j h LEU 353 N 0.84 -0.15 -0.35 5.97 3.38 0.52 -1.60 115.31 123.93 1f0j h LEU 353 Ca 0.14 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1f0j h LEU 353 Cb 0.61 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1f0j h LEU 353 CO 0.04 0.03 0.18 0.25 0.09 0.00 0.00 178.44 179.02 1f0j h LEU 354 N -0.31 0.26 -0.29 1.67 5.85 -0.88 0.77 115.31 122.38 1f0j h LEU 354 Ca -0.02 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1f0j h LEU 354 Cb 0.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1f0j h LEU 354 CO 0.03 0.19 0.03 0.00 -0.34 0.00 0.00 178.44 178.35 1f0j h ALA 355 N 1.18 0.28 -0.82 1.25 0.00 -1.16 0.19 119.26 120.17 1f0j h ALA 355 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1f0j h ALA 355 Cb 0.05 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1f0j h ALA 355 CO -0.10 -0.38 0.45 -0.44 0.00 0.00 0.00 179.25 178.78 1f0j h ASP 356 N 0.12 1.03 -0.60 0.00 5.19 -0.91 -1.51 116.42 119.75 1f0j h ASP 356 Ca 0.13 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1f0j h ASP 356 Cb 0.16 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 1f0j h ASP 356 CO -0.20 0.84 0.23 0.25 -3.12 0.00 0.00 179.24 177.24 1f0j h LEU 357 N 1.15 0.84 -0.38 1.55 5.85 0.01 -1.82 115.31 122.50 1f0j h LEU 357 Ca 0.29 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1f0j h LEU 357 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1f0j h LEU 357 CO -0.05 0.79 0.20 0.11 -0.34 0.00 0.00 178.44 179.16 1f0j h LYS 358 N 0.84 0.54 -0.34 1.25 1.57 -0.33 -1.08 116.57 119.02 1f0j h LYS 358 Ca 0.20 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1f0j h LYS 358 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1f0j h LYS 358 CO -0.01 0.45 0.24 1.15 -0.57 0.00 0.00 179.45 180.70 1f0j h THR 359 N 0.49 0.90 0.07 -0.16 2.02 -0.98 -1.70 112.91 113.55 1f0j h THR 359 Ca 0.13 -0.05 -0.28 0.00 0.77 0.00 0.00 66.41 66.99 1f0j h THR 359 Cb 0.07 0.74 0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1f0j h THR 359 CO -0.02 0.03 -1.12 -0.03 0.37 0.00 0.00 175.52 174.74 1f0j h MET 360 N 0.15 0.64 -0.02 6.66 1.85 -0.59 -3.16 114.93 120.45 1f0j h MET 360 Ca 0.16 -0.78 0.00 0.00 -0.61 0.00 0.00 59.70 58.47 1f0j h MET 360 Cb 0.43 0.24 -0.00 0.00 0.43 0.00 0.00 31.60 32.70 1f0j h MET 360 CO -0.02 1.34 0.03 0.28 -0.40 0.00 0.00 176.91 178.14 1f0j h VAL 361 N 0.28 0.34 -0.08 -5.77 2.07 -0.30 -0.52 116.25 112.26 1f0j h VAL 361 Ca -0.16 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1f0j h VAL 361 Cb 1.79 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1f0j h VAL 361 CO 0.22 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 177.24 1f0j h GLU 362 N 0.00 0.30 -0.06 1.57 5.08 -1.43 -3.01 114.58 117.03 1f0j h GLU 362 Ca 0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1f0j h GLU 362 Cb 0.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1f0j h GLU 362 CO -0.00 0.84 0.00 0.25 -1.00 0.00 0.00 179.01 179.10 1f0j n THR 363 N -4.50 0.08 -1.35 1.13 -2.24 -0.62 -4.95 114.28 101.84 1f0j n THR 363 Ca -0.08 -0.11 -0.49 0.00 -2.27 0.00 0.00 64.05 61.10 1f0j n THR 363 Cb 0.45 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1f0j n THR 363 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1f0j n LYS 364 N -0.41 0.00 -4.27 -0.78 4.81 -0.30 -5.00 118.16 112.21 1f0j n LYS 364 Ca 0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.38 1f0j n LYS 364 Cb 0.13 -1.11 -0.15 0.00 0.02 0.00 0.00 35.03 33.92 1f0j n LYS 364 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1f0j s LYS 365 N -0.59 0.69 0.34 1.64 1.02 -1.26 -5.08 119.74 116.50 1f0j s LYS 365 Ca 0.70 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.48 1f0j s LYS 365 Cb -0.99 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1f0j s LYS 365 CO 0.53 0.11 0.11 0.14 -0.92 0.00 0.00 175.35 175.31 1f0j s VAL 366 N 0.08 0.74 0.58 3.17 -7.23 -1.26 -0.18 120.40 116.30 1f0j s VAL 366 Ca -0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1f0j s VAL 366 Cb -0.06 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1f0j s VAL 366 CO -0.00 0.00 0.80 0.42 -0.31 0.00 0.00 175.10 176.01 1f0j s THR 367 N -3.38 2.39 0.57 5.32 -4.23 0.16 -4.82 115.64 111.65 1f0j s THR 367 Ca 0.32 -0.83 0.27 0.00 -1.18 0.00 0.00 61.69 60.26 1f0j s THR 367 Cb 0.06 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.70 1f0j s THR 367 CO 0.15 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 177.10 1f0j h SER 368 N 0.05 0.00 0.94 3.99 4.64 -2.02 0.81 113.55 121.96 1f0j h SER 368 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1f0j h SER 368 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1f0j h SER 368 CO 0.43 0.00 -0.94 0.77 -0.87 0.00 0.00 176.83 176.23 1f0j h SER 369 N 0.00 0.00 0.00 4.97 4.64 -2.05 -3.48 113.55 117.64 1f0j h SER 369 Ca 0.10 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1f0j h SER 369 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1f0j h SER 369 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1f0j n GLY 370 N 1.22 1.86 3.78 -0.77 0.00 0.28 -5.10 105.19 106.46 1f0j n GLY 370 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1f0j n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f0j s VAL 371 N -2.08 2.09 0.62 1.61 1.01 -1.26 -4.38 120.40 118.01 1f0j s VAL 371 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1f0j s VAL 371 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1f0j s VAL 371 CO 0.00 0.02 1.21 -0.76 0.00 0.00 0.00 175.10 175.57 1f0j s LEU 372 N -2.14 3.60 -0.28 3.92 1.43 0.14 0.37 118.68 125.72 1f0j s LEU 372 Ca 0.53 2.38 0.01 0.00 -1.03 0.00 0.00 54.13 56.02 1f0j s LEU 372 Cb -0.46 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.22 1f0j s LEU 372 CO 0.62 -1.71 -0.05 -0.76 0.23 0.00 0.00 176.35 174.68 1f0j s LEU 373 N -4.27 3.73 -0.41 1.79 1.43 0.75 -4.78 118.68 116.91 1f0j s LEU 373 Ca 0.77 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1f0j s LEU 373 Cb -0.30 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.41 1f0j s LEU 373 CO 0.35 -0.23 0.22 -0.76 0.23 0.00 0.00 176.35 176.16 1f0j s LEU 374 N 1.17 2.45 0.00 1.79 1.43 -1.26 -4.61 118.68 119.65 1f0j s LEU 374 Ca -0.06 -2.46 0.23 0.00 -1.03 0.00 0.00 54.13 50.80 1f0j s LEU 374 Cb -0.20 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.22 1f0j s LEU 374 CO -0.03 -0.29 1.17 -0.90 0.23 0.00 0.00 176.35 176.53 1f0j n ASP 375 N 3.75 1.41 -4.49 2.29 5.68 -1.26 -4.81 116.55 119.11 1f0j n ASP 375 Ca 0.08 -1.12 -0.31 0.00 -0.50 0.00 0.00 54.79 52.94 1f0j n ASP 375 Cb 0.36 0.52 -0.12 0.00 -1.14 0.00 0.00 41.12 40.73 1f0j n ASP 375 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1f0j s ASN 376 N -2.67 3.95 0.18 -1.12 2.20 -1.26 -5.04 114.94 111.17 1f0j s ASN 376 Ca 0.16 -0.41 -0.15 0.00 -0.94 0.00 0.00 52.86 51.53 1f0j s ASN 376 Cb 0.18 -0.67 0.16 0.00 -2.00 0.00 0.00 41.25 38.91 1f0j s ASN 376 CO 0.65 0.24 1.69 0.22 -2.94 0.00 0.00 177.10 176.96 1f0j h TYR 377 N 4.36 -0.05 -0.91 1.54 3.20 -1.99 -2.39 116.97 120.73 1f0j h TYR 377 Ca -0.48 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.55 1f0j h TYR 377 Cb 1.16 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 1f0j h TYR 377 CO 0.55 -0.11 0.58 1.79 -1.64 0.00 0.00 178.16 179.34 1f0j h THR 378 N 0.10 0.89 -0.03 1.81 1.35 -1.99 0.46 112.91 115.50 1f0j h THR 378 Ca 0.23 -0.28 -0.24 0.00 -0.55 0.00 0.00 66.41 65.58 1f0j h THR 378 Cb 0.34 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.78 1f0j h THR 378 CO -0.39 0.15 -0.93 0.44 -0.25 0.00 0.00 175.52 174.53 1f0j h ASP 379 N 0.80 0.73 -0.23 5.36 3.32 -1.88 -2.50 116.42 122.03 1f0j h ASP 379 Ca 0.45 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1f0j h ASP 379 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1f0j h ASP 379 CO -0.21 1.35 0.05 0.03 -1.72 0.00 0.00 179.24 178.74 1f0j h ARG 380 N 0.34 0.36 -0.02 3.56 3.08 -0.81 -1.86 114.38 119.03 1f0j h ARG 380 Ca -0.09 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1f0j h ARG 380 Cb 1.57 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 1f0j h ARG 380 CO 0.17 0.48 -0.36 0.97 -1.07 0.00 0.00 179.97 180.17 1f0j h ILE 381 N 0.18 1.26 -0.58 2.04 6.09 -1.02 -1.03 117.51 124.46 1f0j h ILE 381 Ca 0.07 -1.26 -0.10 0.00 -1.37 0.00 0.00 64.86 62.20 1f0j h ILE 381 Cb 0.29 1.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1f0j h ILE 381 CO 0.00 0.36 -0.02 -0.61 -3.07 0.00 0.00 178.15 174.81 1f0j h GLN 382 N 0.04 1.03 -0.36 2.19 4.15 -1.19 0.80 115.11 121.76 1f0j h GLN 382 Ca 0.00 -0.33 -0.13 0.00 0.77 0.00 0.00 58.65 58.96 1f0j h GLN 382 Cb 0.65 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1f0j h GLN 382 CO 0.05 1.02 -0.29 0.28 -1.93 0.00 0.00 178.83 177.96 1f0j h VAL 383 N 0.93 1.28 -0.43 2.39 2.07 -0.88 -2.51 116.25 119.10 1f0j h VAL 383 Ca 0.16 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1f0j h VAL 383 Cb 0.57 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1f0j h VAL 383 CO 0.03 0.48 0.16 -0.07 0.02 0.00 0.00 177.57 178.19 1f0j h LEU 384 N 0.63 0.61 -1.07 2.57 3.38 -0.95 0.15 115.31 120.64 1f0j h LEU 384 Ca 0.07 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1f0j h LEU 384 Cb 0.86 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1f0j h LEU 384 CO 0.08 0.63 0.02 0.08 0.09 0.00 0.00 178.44 179.34 1f0j h ARG 385 N 0.56 0.68 -0.04 1.13 0.11 -0.83 -1.35 114.38 114.65 1f0j h ARG 385 Ca 0.14 -0.16 -0.16 0.00 0.10 0.00 0.00 59.98 59.90 1f0j h ARG 385 Cb 0.22 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1f0j h ARG 385 CO -0.01 0.69 -0.68 -0.91 0.10 0.00 0.00 179.97 179.15 1f0j h ASN 386 N 0.65 0.23 -0.14 0.08 2.35 -1.17 -2.29 115.58 115.29 1f0j h ASN 386 Ca 0.14 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1f0j h ASN 386 Cb 0.37 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1f0j h ASN 386 CO 0.01 0.84 0.07 -0.03 -1.65 0.00 0.00 177.43 176.67 1f0j h MET 387 N 0.13 0.21 -0.73 0.81 4.05 0.04 0.12 114.93 119.56 1f0j h MET 387 Ca -0.02 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1f0j h MET 387 Cb 1.22 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1f0j h MET 387 CO 0.10 0.26 0.23 0.28 0.23 0.00 0.00 176.91 178.01 1f0j h VAL 388 N 0.10 1.26 -0.89 -5.77 2.07 -1.26 -0.67 116.25 111.09 1f0j h VAL 388 Ca 0.05 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1f0j h VAL 388 Cb 0.13 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1f0j h VAL 388 CO -0.01 0.36 0.58 -0.74 0.02 0.00 0.00 177.57 177.78 1f0j h HIS 389 N 1.09 1.12 -0.48 1.57 6.17 -1.08 0.14 115.15 123.68 1f0j h HIS 389 Ca 0.24 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.29 1f0j h HIS 389 Cb 0.31 -0.38 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 1f0j h HIS 389 CO 0.03 0.71 0.10 0.00 0.71 0.00 0.00 177.93 179.47 1f0j h ALA 391 N 0.97 1.11 -0.09 0.00 0.00 -0.42 -0.54 119.26 120.29 1f0j h ALA 391 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1f0j h ALA 391 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1f0j h ALA 391 CO 0.01 0.55 -0.08 0.22 0.00 0.00 0.00 179.25 179.95 1f0j h ASP 392 N 1.19 0.12 -0.86 0.00 3.58 -0.36 -2.48 116.42 117.62 1f0j h ASP 392 Ca 0.31 -0.02 -0.60 0.00 0.42 0.00 0.00 57.03 57.15 1f0j h ASP 392 Cb -0.07 -0.03 -0.34 0.00 1.72 0.00 0.00 39.33 40.61 1f0j h ASP 392 CO -0.06 0.22 0.12 0.18 -2.88 0.00 0.00 179.24 176.82 1f0j n LEU 393 N -4.37 6.36 -0.14 2.28 4.77 -0.31 -4.65 117.00 120.93 1f0j n LEU 393 Ca -0.01 -4.44 0.11 0.00 -0.03 0.00 0.00 56.01 51.63 1f0j n LEU 393 Cb 0.20 -0.69 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1f0j n LEU 393 CO 0.36 1.72 0.16 -1.54 -1.33 0.00 0.00 177.39 176.76 1f0j n SER 394 N -0.85 1.18 -0.24 -1.43 3.41 -0.59 -4.55 113.62 110.55 1f0j n SER 394 Ca 0.54 -1.01 0.05 0.00 -0.26 0.00 0.00 58.87 58.18 1f0j n SER 394 Cb 0.83 0.70 0.16 0.00 -0.26 0.00 0.00 64.21 65.64 1f0j n SER 394 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1f0j h ASN 395 N 0.68 -0.18 0.40 4.04 -0.26 -1.82 0.12 115.58 118.55 1f0j h ASN 395 Ca 0.00 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1f0j h ASN 395 Cb 0.56 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1f0j h ASN 395 CO 0.00 -0.11 0.00 -2.65 -1.06 0.00 0.00 177.43 173.61 1f0j n PRO 396 N -5.26 0.07 -0.04 0.81 -0.02 -1.26 -2.39 135.00 126.92 1f0j n PRO 396 Ca 0.13 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1f0j n PRO 396 Cb 0.45 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.63 1f0j n PRO 396 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1f0j n THR 397 N -1.43 0.10 -2.94 3.45 -2.24 0.40 -4.07 114.28 107.56 1f0j n THR 397 Ca 0.05 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1f0j n THR 397 Cb 0.15 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1f0j n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1f0j s LYS 398 N -1.90 2.84 0.50 -0.78 -0.14 -1.00 -4.67 119.74 114.59 1f0j s LYS 398 Ca 0.32 -0.79 -0.21 0.00 -1.36 0.00 0.00 55.97 53.92 1f0j s LYS 398 Cb 0.21 -2.60 -0.08 0.00 -1.68 0.00 0.00 37.83 33.67 1f0j s LYS 398 CO 0.31 -0.38 0.95 -1.13 -0.76 0.00 0.00 175.35 174.33 1f0j n SER 399 N -2.07 0.87 -0.35 2.83 3.41 -1.26 -4.51 113.62 112.52 1f0j n SER 399 Ca 0.05 0.92 0.13 0.00 -0.26 0.00 0.00 58.87 59.70 1f0j n SER 399 Cb 0.59 -1.35 0.32 0.00 -0.26 0.00 0.00 64.21 63.50 1f0j n SER 399 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1f0j h LEU 400 N 1.04 0.79 -0.91 1.04 5.85 -1.95 -0.32 115.31 120.85 1f0j h LEU 400 Ca -0.46 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.50 1f0j h LEU 400 Cb 1.35 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 1f0j h LEU 400 CO 0.54 0.29 0.51 -0.08 -0.34 0.00 0.00 178.44 179.35 1f0j h GLU 401 N 0.78 0.71 0.00 1.25 4.81 -2.00 0.12 114.58 120.24 1f0j h GLU 401 Ca 0.58 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1f0j h GLU 401 Cb 0.88 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1f0j h GLU 401 CO -0.38 0.47 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.28 1f0j h LEU 402 N 0.73 0.02 -0.77 1.64 3.38 -1.44 -3.24 115.31 115.62 1f0j h LEU 402 Ca 0.49 -0.87 0.13 0.00 0.09 0.00 0.00 57.88 57.73 1f0j h LEU 402 Cb 0.66 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1f0j h LEU 402 CO -0.34 0.88 0.35 0.22 0.09 0.00 0.00 178.44 179.64 1f0j h TYR 403 N -0.84 0.61 -0.82 1.13 3.20 -0.78 -0.74 116.97 118.73 1f0j h TYR 403 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1f0j h TYR 403 Cb 0.89 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1f0j h TYR 403 CO 0.23 0.13 0.46 0.00 -1.64 0.00 0.00 178.16 177.34 1f0j h ARG 404 N 0.53 1.13 -0.47 1.82 3.08 -0.89 -0.28 114.38 119.30 1f0j h ARG 404 Ca 0.41 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 1f0j h ARG 404 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1f0j h ARG 404 CO -0.36 0.82 -0.04 1.96 -1.07 0.00 0.00 179.97 181.28 1f0j h GLN 405 N 1.14 0.86 -0.65 0.04 4.20 -1.21 -0.60 115.11 118.89 1f0j h GLN 405 Ca 0.29 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1f0j h GLN 405 Cb 0.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1f0j h GLN 405 CO -0.05 0.93 0.29 -1.49 -0.67 0.00 0.00 178.83 177.84 1f0j h TRP 406 N 0.71 0.97 -0.42 2.96 -0.00 -0.73 -1.62 115.95 117.83 1f0j h TRP 406 Ca 0.13 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.89 58.91 1f0j h TRP 406 Cb 0.56 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 1f0j h TRP 406 CO 0.04 0.75 0.07 1.15 -0.00 0.00 0.00 178.44 180.45 1f0j h THR 407 N 0.91 1.24 -0.84 1.49 2.02 -0.88 -0.90 112.91 115.96 1f0j h THR 407 Ca 0.22 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.59 1f0j h THR 407 Cb 0.17 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 1f0j h THR 407 CO -0.02 0.30 0.51 0.44 0.37 0.00 0.00 175.52 177.12 1f0j h ASP 408 N 0.54 0.79 -0.10 4.18 3.32 -0.91 -1.64 116.42 122.60 1f0j h ASP 408 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1f0j h ASP 408 Cb 0.37 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1f0j h ASP 408 CO 0.01 0.50 0.01 0.03 -1.72 0.00 0.00 179.24 178.06 1f0j h ARG 409 N 0.92 0.18 -0.50 3.56 3.08 -0.89 -1.26 114.38 119.48 1f0j h ARG 409 Ca 0.37 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 1f0j h ARG 409 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1f0j h ARG 409 CO -0.18 0.42 0.10 0.97 -1.07 0.00 0.00 179.97 180.20 1f0j h ILE 410 N -0.08 1.22 -0.54 2.04 6.09 -0.94 -0.68 117.51 124.61 1f0j h ILE 410 Ca 0.03 -0.81 -0.10 0.00 -1.37 0.00 0.00 64.86 62.61 1f0j h ILE 410 Cb 0.33 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 38.33 1f0j h ILE 410 CO 0.00 0.30 -0.05 0.24 -3.07 0.00 0.00 178.15 175.57 1f0j h MET 411 N 0.74 0.99 -0.82 2.19 2.86 -1.25 -0.15 114.93 119.47 1f0j h MET 411 Ca 0.16 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1f0j h MET 411 Cb 0.30 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1f0j h MET 411 CO 0.00 1.02 0.54 1.49 1.06 0.00 0.00 176.91 181.02 1f0j h GLU 412 N 0.86 1.05 -0.60 1.72 4.81 -0.70 0.12 114.58 121.84 1f0j h GLU 412 Ca 0.15 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1f0j h GLU 412 Cb 0.60 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1f0j h GLU 412 CO 0.04 0.70 0.01 1.49 -0.73 0.00 0.00 179.01 180.51 1f0j h GLU 413 N 1.08 1.05 -0.38 1.92 4.81 -0.69 -0.55 114.58 121.82 1f0j h GLU 413 Ca 0.31 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1f0j h GLU 413 Cb -0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1f0j h GLU 413 CO -0.08 1.03 0.10 0.74 -0.73 0.00 0.00 179.01 180.06 1f0j h PHE 414 N 0.94 0.62 -0.56 0.92 0.04 -0.43 -1.83 116.94 116.66 1f0j h PHE 414 Ca 0.17 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1f0j h PHE 414 Cb 0.55 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1f0j h PHE 414 CO 0.04 0.61 0.28 0.74 -0.60 0.00 0.00 178.31 179.37 1f0j h PHE 415 N 0.46 0.76 -0.26 -0.55 0.04 -0.57 0.09 116.94 116.91 1f0j h PHE 415 Ca 0.12 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1f0j h PHE 415 Cb 0.29 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1f0j h PHE 415 CO 0.01 0.55 -0.33 1.96 -0.60 0.00 0.00 178.31 179.91 1f0j h GLN 416 N 0.78 0.56 -0.60 1.51 4.20 -0.77 0.21 115.11 121.00 1f0j h GLN 416 Ca 0.20 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1f0j h GLN 416 Cb 0.06 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1f0j h GLN 416 CO -0.03 0.82 0.03 0.37 -0.67 0.00 0.00 178.83 179.35 1f0j h GLN 417 N 0.48 1.04 -0.96 1.46 4.15 -0.47 -1.64 115.11 119.17 1f0j h GLN 417 Ca 0.05 -0.31 0.01 0.00 0.77 0.00 0.00 58.65 59.18 1f0j h GLN 417 Cb 0.81 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 1f0j h GLN 417 CO 0.07 1.00 0.64 0.78 -1.93 0.00 0.00 178.83 179.38 1f0j h GLY 418 N 1.01 1.35 1.01 2.39 0.00 -0.43 0.15 103.07 108.56 1f0j h GLY 418 Ca 0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1f0j h GLY 418 CO 0.02 0.48 0.13 -0.55 0.00 0.00 0.00 176.54 176.62 1f0j h ASP 419 N 1.29 0.89 -0.68 0.19 3.32 -0.48 -1.19 116.42 119.75 1f0j h ASP 419 Ca 0.36 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1f0j h ASP 419 Cb -0.13 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.15 1f0j h ASP 419 CO -0.08 0.90 0.24 0.11 -1.72 0.00 0.00 179.24 178.68 1f0j h LYS 420 N 0.84 1.06 -0.29 3.56 1.57 -0.41 0.97 116.57 123.86 1f0j h LYS 420 Ca 0.18 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1f0j h LYS 420 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1f0j h LYS 420 CO 0.00 0.89 0.02 0.93 -0.57 0.00 0.00 179.45 180.73 1f0j h GLU 421 N 1.03 0.50 -0.62 3.15 5.08 -0.73 -1.30 114.58 121.68 1f0j h GLU 421 Ca 0.23 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1f0j h GLU 421 Cb 0.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1f0j h GLU 421 CO -0.01 0.63 0.37 -0.09 -1.00 0.00 0.00 179.01 178.91 1f0j h ARG 422 N 0.30 0.84 -0.48 2.33 1.12 -0.90 0.11 114.38 117.71 1f0j h ARG 422 Ca 0.09 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1f0j h ARG 422 Cb 0.38 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 1f0j h ARG 422 CO 0.01 0.60 0.30 0.93 -3.11 0.00 0.00 179.97 178.70 1f0j h GLU 423 N 0.84 0.64 -0.64 0.20 5.08 -0.58 -2.76 114.58 117.35 1f0j h GLU 423 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1f0j h GLU 423 Cb -0.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1f0j h GLU 423 CO -0.04 0.44 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 1f0j n ARG 424 N -4.45 3.15 -2.21 2.33 1.74 -0.51 -4.94 116.66 111.77 1f0j n ARG 424 Ca 0.04 -2.46 -0.13 0.00 -0.77 0.00 0.00 57.85 54.53 1f0j n ARG 424 Cb 0.07 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 1f0j n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f0j n GLY 425 N 1.19 -0.10 3.87 -0.13 0.00 -0.83 -5.02 105.19 104.17 1f0j n GLY 425 Ca 0.22 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1f0j n GLY 425 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f0j s MET 426 N -4.58 3.17 0.33 1.61 -1.94 0.33 -5.03 119.30 113.20 1f0j s MET 426 Ca 0.00 -0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 52.93 1f0j s MET 426 Cb 0.00 -2.79 -0.10 0.00 2.01 0.00 0.00 34.83 33.95 1f0j s MET 426 CO 0.00 0.49 1.28 -1.21 -0.01 0.00 0.00 175.02 175.57 1f0j s GLU 427 N -3.30 4.37 0.08 2.03 0.41 -1.26 -4.24 118.70 116.80 1f0j s GLU 427 Ca 0.33 2.16 -0.31 0.00 -0.41 0.00 0.00 54.97 56.74 1f0j s GLU 427 Cb -0.10 -3.07 -0.06 0.00 -1.78 0.00 0.00 34.13 29.12 1f0j s GLU 427 CO 0.26 -0.15 1.28 0.42 -0.49 0.00 0.00 175.26 176.57 1f0j s ILE 428 N -1.15 3.75 0.78 -1.63 -1.09 -1.26 -4.91 121.20 115.69 1f0j s ILE 428 Ca 0.49 1.25 -0.10 0.00 -2.23 0.00 0.00 60.65 60.06 1f0j s ILE 428 Cb -0.39 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 36.75 1f0j s ILE 428 CO 0.51 0.09 1.09 -0.44 -1.23 0.00 0.00 174.94 174.97 1f0j s SER 429 N 1.09 4.38 0.40 3.58 0.01 -1.26 -4.95 113.70 116.95 1f0j s SER 429 Ca 0.61 1.84 -0.27 0.00 1.31 0.00 0.00 55.95 59.44 1f0j s SER 429 Cb -0.32 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.30 1f0j s SER 429 CO 0.29 -2.12 1.38 -2.16 0.41 0.00 0.00 173.24 171.05 1f0j s PRO 430 N -4.89 3.98 0.00 12.44 0.04 -1.26 -2.08 135.00 143.22 1f0j s PRO 430 Ca 0.62 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1f0j s PRO 430 Cb -0.17 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1f0j s PRO 430 CO 0.56 -0.55 0.00 -1.33 0.04 0.00 0.00 177.00 175.72 1f0j n MET 431 N 0.21 0.00 -0.12 4.56 2.81 -1.26 -4.73 117.12 118.59 1f0j n MET 431 Ca 0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1f0j n MET 431 Cb 0.42 -2.06 0.31 0.00 -0.71 0.00 0.00 33.22 31.17 1f0j n MET 431 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1f0j s ASP 433 N -1.53 5.17 0.61 0.00 -1.08 -1.26 -3.87 116.67 114.71 1f0j s ASP 433 Ca 0.34 -1.29 0.33 0.00 -0.52 0.00 0.00 52.55 51.41 1f0j s ASP 433 Cb 0.19 -1.81 1.93 0.00 -1.46 0.00 0.00 42.92 41.76 1f0j s ASP 433 CO 0.28 -0.33 2.23 0.50 0.52 0.00 0.00 175.17 178.37 1f0j h LYS 434 N 8.13 0.00 -1.12 4.34 3.64 -1.92 0.13 116.57 129.77 1f0j h LYS 434 Ca -0.21 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.65 1f0j h LYS 434 Cb 1.07 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.65 1f0j h LYS 434 CO 0.59 0.00 0.66 0.72 -2.27 0.00 0.00 179.45 179.16 1f0j n HIS 435 N -3.61 2.61 0.00 1.91 8.25 -1.26 -4.00 115.22 119.12 1f0j n HIS 435 Ca -0.02 -2.34 0.00 0.00 -0.26 0.00 0.00 57.72 55.10 1f0j n HIS 435 Cb 0.15 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.12 1f0j n HIS 435 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1f0j n THR 436 N -0.60 0.00 -2.05 1.59 -2.24 -0.91 -5.12 114.28 104.94 1f0j n THR 436 Ca 0.51 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.87 1f0j n THR 436 Cb 0.89 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1f0j n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f0j s ALA 437 N -0.23 3.68 -0.73 6.98 0.00 -0.01 -4.96 121.76 126.50 1f0j s ALA 437 Ca 0.00 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1f0j s ALA 437 Cb 0.00 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.73 1f0j s ALA 437 CO 0.00 -0.69 0.60 -1.12 0.00 0.00 0.00 175.76 174.55 1f0j s SER 438 N 1.11 5.97 0.14 0.00 0.01 -1.26 -4.95 113.70 114.71 1f0j s SER 438 Ca 0.67 -2.79 -0.21 0.00 1.31 0.00 0.00 55.95 54.93 1f0j s SER 438 Cb -0.40 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 1f0j s SER 438 CO 0.31 -0.47 1.67 0.58 0.41 0.00 0.00 173.24 175.74 1f0j h VAL 439 N 5.02 0.60 0.31 3.43 2.07 -1.98 0.50 116.25 126.20 1f0j h VAL 439 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1f0j h VAL 439 Cb 0.99 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1f0j h VAL 439 CO 0.73 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.84 1f0j h GLU 440 N -0.16 -0.40 -0.89 1.57 3.07 -1.92 -1.56 114.58 114.28 1f0j h GLU 440 Ca 0.11 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1f0j h GLU 440 Cb 0.31 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.24 1f0j h GLU 440 CO -0.27 -0.22 0.54 0.87 -1.40 0.00 0.00 179.01 178.54 1f0j h LYS 441 N -0.50 0.88 -0.63 2.33 1.57 -1.83 -1.91 116.57 116.48 1f0j h LYS 441 Ca -0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1f0j h LYS 441 Cb 0.37 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1f0j h LYS 441 CO 0.07 0.58 0.27 0.77 -0.57 0.00 0.00 179.45 180.57 1f0j h SER 442 N 0.91 0.86 -0.29 0.86 0.02 -0.66 -1.11 113.55 114.14 1f0j h SER 442 Ca 0.42 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1f0j h SER 442 Cb 0.35 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1f0j h SER 442 CO -0.23 0.78 -0.00 1.56 -1.14 0.00 0.00 176.83 177.79 1f0j h GLN 443 N 0.88 0.51 -0.07 3.45 1.08 -0.75 0.43 115.11 120.63 1f0j h GLN 443 Ca 0.21 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1f0j h GLN 443 Cb 0.18 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1f0j h GLN 443 CO -0.02 0.66 -0.04 0.28 -0.95 0.00 0.00 178.83 178.77 1f0j h VAL 444 N 0.29 0.88 -0.84 -0.54 2.07 -1.25 0.03 116.25 116.89 1f0j h VAL 444 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1f0j h VAL 444 Cb 0.44 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1f0j h VAL 444 CO 0.02 0.00 0.41 1.23 0.02 0.00 0.00 177.57 179.24 1f0j h GLY 445 N -0.03 1.30 1.05 2.17 0.00 -1.15 -0.43 103.07 105.97 1f0j h GLY 445 Ca 0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1f0j h GLY 445 CO -0.09 0.61 0.13 -2.75 0.00 0.00 0.00 176.54 174.44 1f0j h PHE 446 N 1.20 1.11 -0.01 5.60 3.57 -0.50 -0.77 116.94 127.15 1f0j h PHE 446 Ca 0.29 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1f0j h PHE 446 Cb 0.11 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1f0j h PHE 446 CO 0.01 0.93 -0.00 0.82 -2.23 0.00 0.00 178.31 177.84 1f0j h ILE 447 N 0.97 1.26 -0.95 1.41 2.04 -0.68 0.15 117.51 121.70 1f0j h ILE 447 Ca 0.20 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1f0j h ILE 447 Cb 0.40 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1f0j h ILE 447 CO 0.01 0.20 0.62 0.44 0.00 0.00 0.00 178.15 179.41 1f0j h ASP 448 N -0.30 1.02 0.00 1.72 3.32 -0.94 0.46 116.42 121.69 1f0j h ASP 448 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1f0j h ASP 448 Cb 0.33 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1f0j h ASP 448 CO 0.00 0.69 -1.69 -1.22 -1.72 0.00 0.00 179.24 175.30 1f0j n TYR 449 N -4.49 0.00 0.07 4.55 4.01 -0.31 -4.44 117.16 116.56 1f0j n TYR 449 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1f0j n TYR 449 Cb 0.11 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1f0j n TYR 449 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1f0j n ILE 450 N -2.03 0.94 0.13 -0.72 2.08 0.42 -4.77 119.36 115.41 1f0j n ILE 450 Ca -0.02 0.31 -0.13 0.00 0.56 0.00 0.00 62.75 63.47 1f0j n ILE 450 Cb 0.49 -1.33 -0.08 0.00 -0.75 0.00 0.00 39.64 37.96 1f0j n ILE 450 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1f0j h VAL 451 N 0.00 0.83 -0.17 1.39 2.07 -1.23 -2.68 116.25 116.46 1f0j h VAL 451 Ca 0.00 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1f0j h VAL 451 Cb 0.00 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1f0j h VAL 451 CO 0.00 0.11 0.10 -0.74 0.02 0.00 0.00 177.57 177.06 1f0j h HIS 452 N -0.57 0.23 -0.92 1.57 -0.00 -0.32 -0.72 115.15 114.42 1f0j h HIS 452 Ca -0.03 -0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.45 1f0j h HIS 452 Cb 0.42 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.67 1f0j h HIS 452 CO 0.01 0.21 0.55 -1.35 -0.00 0.00 0.00 177.93 177.34 1f0j h PRO 453 N 0.18 0.84 0.21 5.26 0.11 -1.72 0.31 132.00 137.18 1f0j h PRO 453 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1f0j h PRO 453 Cb 0.05 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1f0j h PRO 453 CO -0.01 0.55 -0.10 1.25 -0.21 0.00 0.00 178.00 179.48 1f0j h LEU 454 N 0.86 -0.24 -1.29 2.35 5.85 -1.13 -2.52 115.31 119.18 1f0j h LEU 454 Ca 0.46 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1f0j h LEU 454 Cb 0.48 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1f0j h LEU 454 CO -0.28 0.08 -0.31 -0.50 -0.34 0.00 0.00 178.44 177.10 1f0j h TRP 455 N -0.57 0.09 -0.50 1.25 4.06 -0.81 -0.51 115.95 118.95 1f0j h TRP 455 Ca -0.03 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 1f0j h TRP 455 Cb 0.42 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 1f0j h TRP 455 CO 0.02 0.38 0.24 1.49 -3.56 0.00 0.00 178.44 177.01 1f0j h GLU 456 N 0.07 0.73 -0.44 0.49 4.81 -0.38 0.25 114.58 120.11 1f0j h GLU 456 Ca 0.01 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1f0j h GLU 456 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1f0j h GLU 456 CO 0.04 0.61 -0.19 1.15 -0.73 0.00 0.00 179.01 179.89 1f0j h THR 457 N 0.67 1.27 -0.48 0.32 2.02 -0.98 -1.68 112.91 114.07 1f0j h THR 457 Ca 0.17 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 1f0j h THR 457 Cb 0.12 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1f0j h THR 457 CO -0.02 0.45 0.10 -0.25 0.37 0.00 0.00 175.52 176.17 1f0j h TRP 458 N 0.73 0.81 -0.60 3.16 2.91 -0.81 -1.99 115.95 120.16 1f0j h TRP 458 Ca 0.10 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1f0j h TRP 458 Cb 0.75 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 1f0j h TRP 458 CO 0.05 0.74 0.36 0.00 -1.03 0.00 0.00 178.44 178.56 1f0j h ALA 459 N 0.97 1.51 -0.47 2.65 0.00 -0.38 -1.36 119.26 122.18 1f0j h ALA 459 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1f0j h ALA 459 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1f0j h ALA 459 CO 0.00 0.43 0.16 0.22 0.00 0.00 0.00 179.25 180.07 1f0j h ASP 460 N 0.82 0.66 -0.83 0.00 1.82 -0.90 0.52 116.42 118.52 1f0j h ASP 460 Ca 0.22 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1f0j h ASP 460 Cb -0.03 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.77 1f0j h ASP 460 CO -0.04 0.68 0.41 0.25 -1.61 0.00 0.00 179.24 178.93 1f0j h LEU 461 N 0.61 1.08 -3.11 2.28 5.85 -0.56 -3.18 115.31 118.27 1f0j h LEU 461 Ca 0.15 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1f0j h LEU 461 Cb 0.24 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1f0j h LEU 461 CO -0.01 0.90 0.00 1.33 -0.34 0.00 0.00 178.44 180.33 1f0j n VAL 462 N -4.34 1.77 -1.49 1.05 0.24 -0.61 -4.96 118.33 109.99 1f0j n VAL 462 Ca 0.08 -1.50 -0.45 0.00 -2.04 0.00 0.00 64.34 60.43 1f0j n VAL 462 Cb 0.13 0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 32.54 1f0j n VAL 462 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1f0j n GLN 463 N -0.02 0.69 -0.65 7.34 10.64 0.18 -1.05 117.38 134.51 1f0j n GLN 463 Ca 0.18 0.24 0.07 0.00 -1.83 0.00 0.00 57.00 55.65 1f0j n GLN 463 Cb 0.71 -1.45 0.32 0.00 -0.86 0.00 0.00 30.24 28.96 1f0j n GLN 463 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1f0j n PRO 464 N 0.81 3.84 -0.31 2.61 -0.04 -1.26 -4.95 135.00 135.71 1f0j n PRO 464 Ca 0.13 -2.50 0.09 0.00 -0.04 0.00 0.00 63.50 61.18 1f0j n PRO 464 Cb 0.31 -2.00 0.21 0.00 -0.04 0.00 0.00 33.50 31.98 1f0j n PRO 464 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1f0j h ASP 465 N 3.34 -0.47 -0.65 3.54 5.19 -1.39 -2.40 116.42 123.57 1f0j h ASP 465 Ca 0.00 0.24 -0.24 0.00 -0.62 0.00 0.00 57.03 56.41 1f0j h ASP 465 Cb 1.53 0.44 -0.14 0.00 0.18 0.00 0.00 39.33 41.34 1f0j h ASP 465 CO 0.32 -0.27 0.30 0.00 -3.12 0.00 0.00 179.24 176.48 1f0j n ALA 466 N -3.11 4.40 -0.11 3.45 0.00 -1.26 -4.56 120.51 119.32 1f0j n ALA 466 Ca 0.18 -1.98 -0.11 0.00 0.00 0.00 0.00 53.44 51.53 1f0j n ALA 466 Cb 0.60 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1f0j n ALA 466 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1f0j h GLN 467 N 1.80 0.58 -0.30 0.00 5.75 -1.79 -2.61 115.11 118.53 1f0j h GLN 467 Ca 0.30 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1f0j h GLN 467 Cb 2.15 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.65 1f0j h GLN 467 CO 0.68 0.74 0.05 -0.44 -2.65 0.00 0.00 178.83 177.21 1f0j h ASP 468 N 0.36 0.41 -0.57 -0.69 3.32 -1.84 -1.65 116.42 115.76 1f0j h ASP 468 Ca 0.08 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1f0j h ASP 468 Cb 0.51 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1f0j h ASP 468 CO 0.02 0.43 0.17 0.40 -1.72 0.00 0.00 179.24 178.55 1f0j h ILE 469 N 0.44 1.24 -0.57 0.35 2.04 -1.84 -1.62 117.51 117.54 1f0j h ILE 469 Ca 0.10 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1f0j h ILE 469 Cb 0.21 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1f0j h ILE 469 CO -0.00 0.31 0.01 -0.07 0.00 0.00 0.00 178.15 178.40 1f0j h LEU 470 N 0.80 0.96 -0.42 1.44 3.38 -1.02 -0.95 115.31 119.50 1f0j h LEU 470 Ca 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1f0j h LEU 470 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1f0j h LEU 470 CO -0.00 1.01 0.13 0.44 0.09 0.00 0.00 178.44 180.10 1f0j h ASP 471 N 0.91 0.62 -0.54 -0.43 3.32 -1.08 -0.47 116.42 118.75 1f0j h ASP 471 Ca 0.17 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1f0j h ASP 471 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1f0j h ASP 471 CO 0.03 0.66 0.12 0.74 -1.72 0.00 0.00 179.24 179.07 1f0j h THR 472 N 0.54 1.25 -0.68 0.35 2.02 -1.15 -0.63 112.91 114.60 1f0j h THR 472 Ca 0.14 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.46 1f0j h THR 472 Cb 0.26 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1f0j h THR 472 CO -0.00 0.32 0.43 0.25 0.37 0.00 0.00 175.52 176.89 1f0j h LEU 473 N 0.76 0.71 -0.18 2.58 5.85 -0.94 0.75 115.31 124.84 1f0j h LEU 473 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1f0j h LEU 473 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1f0j h LEU 473 CO 0.00 0.49 0.07 -0.08 -0.34 0.00 0.00 178.44 178.58 1f0j h GLU 474 N 0.84 0.27 -0.74 1.25 4.57 -0.73 0.02 114.58 120.06 1f0j h GLU 474 Ca 0.27 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1f0j h GLU 474 Cb 0.01 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1f0j h GLU 474 CO -0.10 0.35 0.48 -0.44 -1.18 0.00 0.00 179.01 178.12 1f0j h ASP 475 N 0.13 0.85 -0.56 1.04 3.32 -0.69 -1.17 116.42 119.33 1f0j h ASP 475 Ca 0.06 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1f0j h ASP 475 Cb 0.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1f0j h ASP 475 CO -0.00 0.62 0.04 0.78 -1.72 0.00 0.00 179.24 178.95 1f0j h ASN 476 N 1.00 0.93 -0.29 6.45 2.35 -0.68 -1.31 115.58 124.02 1f0j h ASN 476 Ca 0.27 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1f0j h ASN 476 Cb -0.11 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 1f0j h ASN 476 CO -0.06 0.99 0.19 -0.09 -1.65 0.00 0.00 177.43 176.81 1f0j h ARG 477 N 0.85 0.39 0.00 0.81 2.43 -0.61 -1.82 114.38 116.43 1f0j h ARG 477 Ca 0.16 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1f0j h ARG 477 Cb 0.49 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1f0j h ARG 477 CO 0.02 0.28 -0.32 -0.91 -1.51 0.00 0.00 179.97 177.53 1f0j h ASN 478 N 0.39 0.00 -0.22 -3.80 2.35 -1.08 -1.09 115.58 112.14 1f0j h ASN 478 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1f0j h ASN 478 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1f0j h ASN 478 CO -0.02 0.32 -0.07 -0.25 -1.65 0.00 0.00 177.43 175.75 1f0j h TRP 479 N 0.00 0.49 -0.63 1.19 7.01 -0.80 -1.65 115.95 121.55 1f0j h TRP 479 Ca -0.00 -0.11 -0.05 0.00 2.11 0.00 0.00 58.89 60.83 1f0j h TRP 479 Cb 0.58 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1f0j h TRP 479 CO 0.00 0.69 0.18 1.88 -2.79 0.00 0.00 178.44 178.40 1f0j h TYR 480 N 0.15 0.99 -0.29 2.65 0.05 -1.02 -1.11 116.97 118.38 1f0j h TYR 480 Ca 0.05 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1f0j h TYR 480 Cb 0.54 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 1f0j h TYR 480 CO 0.06 0.80 -0.03 0.37 -1.05 0.00 0.00 178.16 178.31 1f0j h GLN 481 N 0.93 0.46 0.00 4.88 4.15 -1.07 -1.93 115.11 122.53 1f0j h GLN 481 Ca 0.21 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 1f0j h GLN 481 Cb 0.28 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1f0j h GLN 481 CO -0.01 0.51 -0.53 0.77 -1.93 0.00 0.00 178.83 177.64 1f0j h SER 482 N 0.44 0.00 0.75 -0.69 0.02 -0.62 -3.13 113.55 110.32 1f0j h SER 482 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1f0j h SER 482 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1f0j h SER 482 CO 0.01 0.53 -0.03 0.23 -1.14 0.00 0.00 176.83 176.43 1f0j n MET 483 N -3.46 0.23 -1.63 3.45 2.81 -0.48 -4.82 117.12 113.23 1f0j n MET 483 Ca 0.00 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.45 1f0j n MET 483 Cb 0.65 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 1f0j n MET 483 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1f0j s ILE 484 N -2.78 3.00 -0.21 2.02 1.01 -1.06 -4.79 121.20 118.40 1f0j s ILE 484 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 60.65 60.48 1f0j s ILE 484 Cb 0.20 -3.00 -0.18 0.00 0.01 0.00 0.00 42.46 39.49 1f0j s ILE 484 CO 0.50 -0.00 1.16 -2.65 0.00 0.00 0.00 174.94 173.96 1f0j n PRO 485 N 8.24 0.00 -1.44 2.79 -0.02 -1.26 -4.38 135.00 138.92 1f0j n PRO 485 Ca 0.26 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 1f0j n PRO 485 Cb 0.43 -1.33 -0.15 0.00 -0.02 0.00 0.00 33.50 32.43 1f0j n PRO 485 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1f0j n GLN 486 N 2.35 0.13 -1.46 -0.52 0.00 -1.26 -4.84 117.38 111.78 1f0j n GLN 486 Ca 0.22 -0.29 -0.13 0.00 -0.00 0.00 0.00 57.00 56.80 1f0j n GLN 486 Cb 0.01 -1.77 0.08 0.00 0.00 0.00 0.00 30.24 28.56 1f0j n GLN 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f0j n ALA 487 N 9.13 -0.16 -1.00 1.69 0.00 -1.26 -5.12 120.51 123.78 1f0j n ALA 487 Ca 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1f0j n ALA 487 Cb 0.28 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1f0j n ALA 487 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f0j n PRO 488 N -2.13 0.00 0.00 0.00 -0.02 -1.26 -5.25 135.00 126.34 1f0j n PRO 488 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1f0j n PRO 488 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1f0j n PRO 488 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f0j n ALA 489 N -3.00 0.00 0.00 3.55 0.00 -1.26 -5.26 120.51 114.54 1f0j n ALA 489 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1f0j n ALA 489 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1f0j n ALA 489 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1f0j n ASN 496 N -1.47 0.00 -3.16 0.00 4.05 -1.26 -5.30 115.26 108.13 1f0j n ASN 496 Ca 0.00 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.80 1f0j n ASN 496 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 1f0j n ASN 496 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1f0j n ARG 497 N 0.00 1.66 -3.62 1.20 0.63 -1.26 -4.42 116.66 110.84 1f0j n ARG 497 Ca 0.00 -3.86 -0.12 0.00 -0.92 0.00 0.00 57.85 52.95 1f0j n ARG 497 Cb 0.00 -1.80 -0.07 0.00 0.45 0.00 0.00 32.46 31.05 1f0j n ARG 497 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1f0j s ASP 498 N -2.42 -0.56 0.15 6.15 -4.77 -1.26 -4.03 116.67 109.92 1f0j s ASP 498 Ca 0.41 0.99 -0.10 0.00 -3.30 0.00 0.00 52.55 50.56 1f0j s ASP 498 Cb 0.27 0.98 0.17 0.00 -1.09 0.00 0.00 42.92 43.24 1f0j s ASP 498 CO -0.09 -0.25 0.95 0.00 0.70 0.00 0.00 175.17 176.47 1f0j h GLN 500 N 0.00 0.58 -0.70 0.00 4.20 -1.98 -0.83 115.11 116.38 1f0j h GLN 500 Ca 0.22 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 1f0j h GLN 500 Cb 0.38 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1f0j h GLN 500 CO -0.61 0.38 0.20 0.78 -0.67 0.00 0.00 178.83 178.91 1f0j h GLY 501 N 0.59 1.19 0.91 3.46 0.00 -0.67 -2.69 103.07 105.86 1f0j h GLY 501 Ca 0.21 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1f0j h GLY 501 CO -0.10 0.67 0.00 1.41 0.00 0.00 0.00 176.54 178.53 1f0j h LEU 502 N 1.04 0.01 -1.54 3.11 3.38 -0.75 -1.13 115.31 119.43 1f0j h LEU 502 Ca 0.22 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1f0j h LEU 502 Cb 0.33 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1f0j h LEU 502 CO -0.00 0.09 0.38 0.24 0.09 0.00 0.00 178.44 179.24 1f0j h MET 503 N -0.08 0.55 0.02 1.13 2.86 -1.07 -0.31 114.93 118.03 1f0j h MET 503 Ca 0.00 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1f0j h MET 503 Cb 0.09 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.64 1f0j h MET 503 CO -0.00 0.37 -0.58 1.49 1.06 0.00 0.00 176.91 179.25 1f0j h GLU 504 N 0.57 0.35 0.61 1.72 4.81 -1.31 -3.05 114.58 118.28 1f0j h GLU 504 Ca 0.25 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1f0j h GLU 504 Cb 0.25 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1f0j h GLU 504 CO -0.07 1.10 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.79 1f0j h LYS 505 N -0.22 -0.80 -0.00 1.92 3.64 -0.77 -2.92 116.57 117.41 1f0j h LYS 505 Ca -0.08 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1f0j h LYS 505 Cb 1.32 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1f0j h LYS 505 CO 0.11 -0.54 0.00 1.19 -2.27 0.00 0.00 179.45 177.95 1f0j n PHE 506 N -5.45 0.00 -1.67 1.91 3.72 -0.16 -4.91 117.46 110.89 1f0j n PHE 506 Ca -0.13 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.73 1f0j n PHE 506 Cb 0.34 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 1f0j n PHE 506 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1f0j n GLN 507 N -0.50 1.48 0.00 -1.08 7.27 -1.11 -4.12 117.38 119.33 1f0j n GLN 507 Ca 0.00 0.53 0.10 0.00 0.07 0.00 0.00 57.00 57.70 1f0j n GLN 507 Cb 0.00 -2.32 0.59 0.00 2.41 0.00 0.00 30.24 30.92 1f0j n GLN 507 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47