#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjw n SER 144 N 0.00 0.00 0.19 3.17 2.88 -1.26 -4.17 113.62 114.43 3mjw n SER 144 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3mjw n SER 144 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 3mjw n SER 144 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3mjw h GLU 145 N 0.00 0.00 0.01 -1.46 5.08 -2.05 -2.25 114.58 113.91 3mjw h GLU 145 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3mjw h GLU 145 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3mjw h GLU 145 CO 0.00 0.23 -1.01 1.49 -1.00 0.00 0.00 179.01 178.72 3mjw h GLU 146 N 0.00 0.03 0.03 2.33 4.22 -1.99 -0.86 114.58 118.34 3mjw h GLU 146 Ca -0.00 -0.05 -0.22 0.00 0.08 0.00 0.00 59.36 59.17 3mjw h GLU 146 Cb 1.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3mjw h GLU 146 CO 0.03 1.01 -1.02 1.03 -2.18 0.00 0.00 179.01 177.88 3mjw h SER 147 N 0.01 0.11 0.39 1.04 0.87 -1.72 -2.78 113.55 111.47 3mjw h SER 147 Ca -0.02 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 3mjw h SER 147 Cb 1.76 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 3mjw h SER 147 CO 0.14 1.06 -0.59 -0.61 -0.53 0.00 0.00 176.83 176.29 3mjw h GLN 148 N 0.02 0.20 -0.02 2.24 5.75 -1.37 -2.16 115.11 119.78 3mjw h GLN 148 Ca -0.04 -0.13 -0.19 0.00 -0.15 0.00 0.00 58.65 58.14 3mjw h GLN 148 Cb 1.76 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.32 3mjw h GLN 148 CO 0.14 0.73 -0.81 0.00 -2.65 0.00 0.00 178.83 176.24 3mjw h ALA 149 N 1.24 0.60 -0.20 3.38 0.00 -1.18 -1.09 119.26 122.01 3mjw h ALA 149 Ca -0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3mjw h ALA 149 Cb 1.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3mjw h ALA 149 CO 0.09 0.87 -0.70 0.35 0.00 0.00 0.00 179.25 179.86 3mjw h PHE 150 N 0.13 1.06 0.00 0.00 -0.00 -1.39 -1.51 116.94 115.23 3mjw h PHE 150 Ca -0.03 -0.44 -0.08 0.00 -0.00 0.00 0.00 57.97 57.41 3mjw h PHE 150 Cb 1.41 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 3mjw h PHE 150 CO 0.03 1.27 -0.40 0.37 -0.00 0.00 0.00 178.31 179.58 3mjw h GLN 151 N 0.57 0.00 -0.39 1.11 5.75 -1.43 -1.80 115.11 118.93 3mjw h GLN 151 Ca -0.03 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.33 3mjw h GLN 151 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 3mjw h GLN 151 CO 0.15 0.40 -0.30 0.00 -2.65 0.00 0.00 178.83 176.43 3mjw h ARG 152 N 0.00 0.89 -0.13 1.69 -0.00 -1.09 -1.55 114.38 114.18 3mjw h ARG 152 Ca -0.00 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.98 59.03 3mjw h ARG 152 Cb 1.14 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.10 3mjw h ARG 152 CO 0.05 1.08 0.03 0.37 0.00 0.00 0.00 179.97 181.51 3mjw h GLN 153 N 0.70 0.21 -0.92 0.04 4.15 -1.15 -2.48 115.11 115.65 3mjw h GLN 153 Ca 0.07 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3mjw h GLN 153 Cb 0.88 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.49 3mjw h GLN 153 CO 0.08 0.36 0.61 -0.07 -1.93 0.00 0.00 178.83 177.87 3mjw h LEU 154 N 0.02 0.99 -0.98 -2.39 3.38 -1.30 -1.24 115.31 113.79 3mjw h LEU 154 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3mjw h LEU 154 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3mjw h LEU 154 CO -0.00 0.67 0.01 0.74 0.09 0.00 0.00 178.44 179.95 3mjw h THR 155 N 1.14 1.23 -0.08 0.22 2.02 -1.17 -0.84 112.91 115.44 3mjw h THR 155 Ca 0.37 -0.96 -0.16 0.00 0.77 0.00 0.00 66.41 66.44 3mjw h THR 155 Cb 0.05 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3mjw h THR 155 CO -0.12 0.34 -0.63 0.00 0.37 0.00 0.00 175.52 175.48 3mjw h ALA 156 N 1.31 0.78 -0.10 6.16 0.00 -0.88 -1.01 119.26 125.51 3mjw h ALA 156 Ca 0.14 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 3mjw h ALA 156 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mjw h ALA 156 CO 0.02 0.74 -0.76 -0.07 0.00 0.00 0.00 179.25 179.17 3mjw h LEU 157 N 0.22 0.66 -0.06 0.00 3.38 -1.00 -3.31 115.31 115.21 3mjw h LEU 157 Ca -0.01 -0.44 -0.18 0.00 0.09 0.00 0.00 57.88 57.34 3mjw h LEU 157 Cb 1.15 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.72 3mjw h LEU 157 CO 0.10 1.21 -0.66 0.40 0.09 0.00 0.00 178.44 179.58 3mjw h ILE 158 N 0.38 1.36 0.00 1.22 2.04 -1.12 -3.48 117.51 117.90 3mjw h ILE 158 Ca -0.04 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3mjw h ILE 158 Cb 1.36 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3mjw h ILE 158 CO 0.14 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.50 3mjw n GLY 159 N 0.88 0.77 3.34 5.37 0.00 -0.39 -4.88 105.19 110.28 3mjw n GLY 159 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3mjw n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mjw s TYR 160 N -2.01 -0.36 -0.49 1.61 5.04 -1.21 -4.94 117.35 114.98 3mjw s TYR 160 Ca 0.00 0.62 -0.19 0.00 -2.44 0.00 0.00 57.07 55.06 3mjw s TYR 160 Cb 0.00 0.20 0.05 0.00 0.35 0.00 0.00 41.96 42.57 3mjw s TYR 160 CO 0.00 -0.45 0.59 0.34 -1.34 0.00 0.00 175.55 174.69 3mjw s ASP 161 N -1.16 6.22 0.00 4.32 2.15 -1.26 -4.68 116.67 122.26 3mjw s ASP 161 Ca -0.12 -0.89 0.31 0.00 0.43 0.00 0.00 52.55 52.28 3mjw s ASP 161 Cb -0.03 -2.28 1.77 0.00 -0.30 0.00 0.00 42.92 42.08 3mjw s ASP 161 CO 0.06 -0.84 2.16 1.33 -0.17 0.00 0.00 175.17 177.71 3mjw n VAL 162 N 5.58 0.00 0.60 1.11 0.24 -1.26 -2.71 118.33 121.88 3mjw n VAL 162 Ca -0.07 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.33 3mjw n VAL 162 Cb 0.46 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 3mjw n VAL 162 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3mjw n THR 163 N -1.00 0.10 -2.02 3.34 -2.24 -1.26 -4.94 114.28 106.26 3mjw n THR 163 Ca 0.22 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 3mjw n THR 163 Cb 0.15 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3mjw n THR 163 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mjw s ASP 164 N -3.77 6.27 -0.01 3.42 2.15 -1.10 -4.93 116.67 118.69 3mjw s ASP 164 Ca 0.03 2.69 0.02 0.00 0.43 0.00 0.00 52.55 55.71 3mjw s ASP 164 Cb 0.15 -2.64 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 3mjw s ASP 164 CO 0.83 -0.88 0.77 1.33 -0.17 0.00 0.00 175.17 177.05 3mjw n VAL 165 N 0.10 0.40 0.83 1.11 0.24 -1.26 -4.83 118.33 114.91 3mjw n VAL 165 Ca 0.04 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3mjw n VAL 165 Cb 0.43 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 3mjw n VAL 165 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3mjw n SER 166 N -0.25 1.16 -1.61 -1.34 3.41 -1.26 -3.33 113.62 110.40 3mjw n SER 166 Ca 0.02 -1.65 -0.04 0.00 -0.26 0.00 0.00 58.87 56.93 3mjw n SER 166 Cb 0.50 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3mjw n SER 166 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mjw n ASN 167 N 0.19 -0.86 -2.85 4.04 5.15 -1.26 -5.04 115.26 114.62 3mjw n ASN 167 Ca 0.00 -2.07 -0.13 0.00 -0.60 0.00 0.00 54.58 51.79 3mjw n ASN 167 Cb 0.25 0.33 -0.03 0.00 -0.53 0.00 0.00 39.78 39.80 3mjw n ASN 167 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3mjw n VAL 168 N -0.44 0.00 -1.81 3.44 0.24 -1.21 -4.72 118.33 113.82 3mjw n VAL 168 Ca -0.21 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 3mjw n VAL 168 Cb 0.79 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 3mjw n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mjw n HIS 169 N -0.48 0.00 -2.89 6.34 1.44 -1.26 -5.12 115.22 113.24 3mjw n HIS 169 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 3mjw n HIS 169 Cb 0.28 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.51 3mjw n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3mjw n ASP 170 N 0.00 0.00 -2.19 4.39 5.75 -1.26 -5.07 116.55 118.16 3mjw n ASP 170 Ca 0.00 -0.73 -0.22 0.00 -0.01 0.00 0.00 54.79 53.83 3mjw n ASP 170 Cb 0.52 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.63 3mjw n ASP 170 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3mjw n ASP 171 N -0.97 4.53 0.05 -1.12 3.85 -1.26 -4.79 116.55 116.84 3mjw n ASP 171 Ca 0.00 -3.58 -0.20 0.00 -0.71 0.00 0.00 54.79 50.30 3mjw n ASP 171 Cb 0.00 -0.38 -0.12 0.00 -1.35 0.00 0.00 41.12 39.27 3mjw n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3mjw h GLU 172 N 2.31 0.48 -0.65 0.11 4.81 -1.97 0.87 114.58 120.55 3mjw h GLU 172 Ca 0.30 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3mjw h GLU 172 Cb 1.38 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.93 3mjw h GLU 172 CO 0.72 1.25 0.41 -0.07 -0.73 0.00 0.00 179.01 180.59 3mjw h LEU 173 N 0.00 0.76 0.07 1.64 3.38 -1.99 0.66 115.31 119.82 3mjw h LEU 173 Ca -0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3mjw h LEU 173 Cb 1.62 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3mjw h LEU 173 CO 0.17 0.57 -0.03 -0.33 0.09 0.00 0.00 178.44 178.91 3mjw h GLU 174 N 0.87 -0.09 -0.98 1.13 4.39 -1.91 -2.85 114.58 115.15 3mjw h GLU 174 Ca 0.23 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.17 3mjw h GLU 174 Cb -0.07 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.48 3mjw h GLU 174 CO -0.05 0.22 0.56 0.35 -1.16 0.00 0.00 179.01 178.93 3mjw h PHE 175 N -0.39 0.96 -0.42 4.33 3.57 -0.54 -0.60 116.94 123.84 3mjw h PHE 175 Ca -0.01 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3mjw h PHE 175 Cb 0.34 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3mjw h PHE 175 CO 0.03 0.09 0.04 1.15 -2.23 0.00 0.00 178.31 177.38 3mjw h THR 176 N 0.59 1.25 -0.30 4.41 2.02 -0.80 -1.79 112.91 118.29 3mjw h THR 176 Ca 0.61 -0.94 0.07 0.00 0.77 0.00 0.00 66.41 66.91 3mjw h THR 176 Cb 1.11 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 3mjw h THR 176 CO -0.46 0.32 -0.13 0.03 0.37 0.00 0.00 175.52 175.65 3mjw h ARG 177 N 0.56 -0.08 -0.64 6.66 3.08 -0.88 0.12 114.38 123.21 3mjw h ARG 177 Ca 0.12 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3mjw h ARG 177 Cb 0.42 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3mjw h ARG 177 CO 0.01 -0.05 0.19 0.00 -1.07 0.00 0.00 179.97 179.05 3mjw h ARG 178 N -0.08 0.97 -0.37 0.04 -0.00 -1.43 -3.25 114.38 110.26 3mjw h ARG 178 Ca 0.15 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.98 59.32 3mjw h ARG 178 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 3mjw h ARG 178 CO -0.36 0.84 -0.24 0.78 0.00 0.00 0.00 179.97 180.99 3mjw h GLY 179 N 1.04 0.89 1.67 0.04 0.00 -0.37 -3.12 103.07 103.22 3mjw h GLY 179 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3mjw h GLY 179 CO -0.01 0.76 0.00 1.04 0.00 0.00 0.00 176.54 178.34 3mjw n LEU 180 N -4.22 0.00 0.30 3.11 4.77 -0.07 -3.64 117.00 117.25 3mjw n LEU 180 Ca -0.02 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 56.12 3mjw n LEU 180 Cb 0.46 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3mjw n LEU 180 CO 0.45 -0.17 0.62 0.58 -1.33 0.00 0.00 177.39 177.55 3mjw h VAL 181 N 0.00 0.24 -0.47 4.08 2.07 -1.64 -1.64 116.25 118.90 3mjw h VAL 181 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3mjw h VAL 181 Cb 0.17 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 3mjw h VAL 181 CO 0.00 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 178.00 3mjw h THR 182 N -0.87 0.20 -0.60 2.57 2.02 -1.80 0.26 112.91 114.69 3mjw h THR 182 Ca -0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.21 3mjw h THR 182 Cb 0.73 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 3mjw h THR 182 CO 0.03 0.00 0.23 -0.65 0.37 0.00 0.00 175.52 175.50 3mjw h PRO 183 N -0.22 0.40 0.22 6.66 0.11 -1.77 0.13 132.00 137.53 3mjw h PRO 183 Ca 0.19 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3mjw h PRO 183 Cb 0.54 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3mjw h PRO 183 CO -0.59 0.27 -0.38 -0.09 -0.21 0.00 0.00 178.00 177.00 3mjw h ARG 184 N 0.41 -0.61 -0.70 1.05 2.43 -0.03 -2.73 114.38 114.19 3mjw h ARG 184 Ca 0.30 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.60 3mjw h ARG 184 Cb 0.36 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 3mjw h ARG 184 CO -0.30 -0.41 0.46 0.52 -1.51 0.00 0.00 179.97 178.74 3mjw h MET 185 N -0.64 0.62 -0.34 0.20 2.86 -0.25 -2.24 114.93 115.15 3mjw h MET 185 Ca -0.03 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3mjw h MET 185 Cb 0.59 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3mjw h MET 185 CO -0.13 0.41 0.04 0.00 1.06 0.00 0.00 176.91 178.30 3mjw h ALA 186 N 1.63 0.46 -0.12 6.32 0.00 -0.80 -0.29 119.26 126.47 3mjw h ALA 186 Ca 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3mjw h ALA 186 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mjw h ALA 186 CO -0.11 0.18 -0.11 1.49 0.00 0.00 0.00 179.25 180.70 3mjw h GLU 187 N 0.41 0.29 -0.47 0.00 4.57 -1.19 -2.71 114.58 115.47 3mjw h GLU 187 Ca 0.10 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 3mjw h GLU 187 Cb 0.38 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.89 3mjw h GLU 187 CO 0.01 0.68 -0.10 0.28 -1.18 0.00 0.00 179.01 178.70 3mjw h VAL 188 N -0.10 0.54 -0.57 0.32 2.07 -1.39 -2.33 116.25 114.80 3mjw h VAL 188 Ca 0.02 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3mjw h VAL 188 Cb 0.63 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3mjw h VAL 188 CO 0.03 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.88 3mjw h ALA 189 N 1.46 0.74 -1.01 1.67 0.00 -0.98 -3.08 119.26 118.06 3mjw h ALA 189 Ca 0.23 0.05 -0.70 0.00 0.00 0.00 0.00 54.91 54.48 3mjw h ALA 189 Cb 0.35 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.82 3mjw h ALA 189 CO -0.47 -0.12 0.80 -1.13 0.00 0.00 0.00 179.25 178.33 3mjw n SER 190 N -4.92 7.40 -4.34 0.00 3.41 -0.89 -4.92 113.62 109.35 3mjw n SER 190 Ca 0.07 -3.80 -0.34 0.00 -0.26 0.00 0.00 58.87 54.53 3mjw n SER 190 Cb 0.20 -0.96 -0.14 0.00 -0.26 0.00 0.00 64.21 63.05 3mjw n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mjw s ARG 191 N -3.90 3.41 -0.34 4.33 1.70 -1.14 -4.98 118.95 118.03 3mjw s ARG 191 Ca 0.59 -0.63 -0.27 0.00 -0.47 0.00 0.00 55.73 54.95 3mjw s ARG 191 Cb 0.47 -2.91 -0.05 0.00 -0.57 0.00 0.00 34.95 31.90 3mjw s ARG 191 CO -0.17 -0.05 2.17 0.34 -1.08 0.00 0.00 175.30 176.51 3mjw s ASP 192 N 1.09 5.23 0.39 -2.89 2.15 -1.26 -4.84 116.67 116.55 3mjw s ASP 192 Ca 0.01 1.45 0.11 0.00 0.43 0.00 0.00 52.55 54.54 3mjw s ASP 192 Cb -0.15 -2.51 0.90 0.00 -0.30 0.00 0.00 42.92 40.86 3mjw s ASP 192 CO -0.01 -2.20 1.93 -0.65 -0.17 0.00 0.00 175.17 174.07 3mjw h PRO 193 N 15.92 0.56 0.17 4.34 0.11 -1.97 -0.47 132.00 150.66 3mjw h PRO 193 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3mjw h PRO 193 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mjw h PRO 193 CO 1.05 0.37 -0.08 0.87 -0.21 0.00 0.00 178.00 180.00 3mjw h LYS 194 N 0.58 -0.22 0.00 1.05 1.57 -1.96 -2.60 116.57 114.99 3mjw h LYS 194 Ca 0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3mjw h LYS 194 Cb 0.59 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3mjw h LYS 194 CO -0.13 0.20 0.00 -0.07 -0.57 0.00 0.00 179.45 178.89 3mjw h LEU 195 N -0.77 0.00 0.09 2.94 3.38 -1.90 -2.96 115.31 116.08 3mjw h LEU 195 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mjw h LEU 195 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mjw h LEU 195 CO 0.04 0.00 -0.04 0.22 0.09 0.00 0.00 178.44 178.75 3mjw h TYR 196 N 0.00 -0.11 -0.62 1.13 3.20 -1.05 -0.03 116.97 119.48 3mjw h TYR 196 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3mjw h TYR 196 Cb 0.35 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3mjw h TYR 196 CO 0.00 0.26 0.41 0.00 -1.64 0.00 0.00 178.16 177.19 3mjw h ALA 197 N -0.60 1.93 0.00 1.82 0.00 -1.45 -1.99 119.26 118.97 3mjw h ALA 197 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mjw h ALA 197 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3mjw h ALA 197 CO 0.02 -0.06 -1.15 -1.33 0.00 0.00 0.00 179.25 176.73 3mjw n MET 198 N -4.48 0.47 -4.01 0.00 2.81 -1.12 -5.00 117.12 105.79 3mjw n MET 198 Ca 0.10 0.02 -0.36 0.00 -1.81 0.00 0.00 57.70 55.64 3mjw n MET 198 Cb 0.33 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 3mjw n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3mjw n HIS 199 N -2.29 -1.05 -1.68 2.03 -0.00 -0.03 -4.26 115.22 107.95 3mjw n HIS 199 Ca 0.00 0.06 -0.47 0.00 -0.00 0.00 0.00 57.72 57.31 3mjw n HIS 199 Cb 0.50 -2.14 -0.04 0.00 -0.00 0.00 0.00 29.99 28.31 3mjw n HIS 199 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3mjw n PRO 200 N -4.16 2.33 -2.61 -1.40 -0.04 -1.26 -4.84 135.00 123.02 3mjw n PRO 200 Ca -0.10 0.85 -0.43 0.00 -0.04 0.00 0.00 63.50 63.79 3mjw n PRO 200 Cb 0.44 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 3mjw n PRO 200 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3mjw s TRP 201 N 4.20 2.77 0.05 0.54 -0.00 -1.26 -5.00 118.94 120.25 3mjw s TRP 201 Ca 0.92 0.62 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 3mjw s TRP 201 Cb -0.64 -4.44 -0.03 0.00 -0.00 0.00 0.00 33.47 28.37 3mjw s TRP 201 CO 0.50 -1.34 -0.08 0.08 -0.00 0.00 0.00 176.95 176.11 3mjw s VAL 202 N 4.54 0.58 0.04 5.86 1.01 -1.26 -2.62 120.40 128.55 3mjw s VAL 202 Ca 0.46 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3mjw s VAL 202 Cb -0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3mjw s VAL 202 CO 0.30 -0.47 -0.18 0.28 0.00 0.00 0.00 175.10 175.03 3mjw s THR 203 N -1.81 1.45 -1.30 3.92 -1.32 -0.58 -4.26 115.64 111.74 3mjw s THR 203 Ca -0.06 -1.12 0.19 0.00 -1.21 0.00 0.00 61.69 59.49 3mjw s THR 203 Cb -0.07 -1.28 0.69 0.00 -1.51 0.00 0.00 72.50 70.32 3mjw s THR 203 CO -0.01 0.13 1.59 -1.20 -2.21 0.00 0.00 174.62 172.92 3mjw n SER 204 N 1.86 4.49 -4.86 8.08 7.64 -1.26 -4.74 113.62 124.84 3mjw n SER 204 Ca -0.17 -2.34 -0.31 0.00 1.01 0.00 0.00 58.87 57.06 3mjw n SER 204 Cb 0.54 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 3mjw n SER 204 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mjw s LYS 205 N -1.63 3.75 0.13 1.43 1.02 -1.26 -5.07 119.74 118.10 3mjw s LYS 205 Ca 0.49 0.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.23 3mjw s LYS 205 Cb 0.30 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 3mjw s LYS 205 CO 0.26 -0.38 0.07 -2.30 -0.92 0.00 0.00 175.35 172.08 3mjw n PRO 206 N -2.12 -1.11 -5.03 -1.68 -0.02 -1.26 -4.97 135.00 118.81 3mjw n PRO 206 Ca 0.05 -0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 3mjw n PRO 206 Cb 0.54 -0.17 -0.17 0.00 -0.02 0.00 0.00 33.50 33.68 3mjw n PRO 206 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mjw s LEU 207 N 0.00 2.04 0.74 2.45 0.20 -1.26 -5.05 118.68 117.81 3mjw s LEU 207 Ca 0.05 -0.54 -0.15 0.00 0.69 0.00 0.00 54.13 54.17 3mjw s LEU 207 Cb -0.01 -1.36 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 3mjw s LEU 207 CO 0.04 0.13 1.02 -2.65 -0.29 0.00 0.00 176.35 174.61 3mjw n PRO 208 N 3.68 0.45 -0.06 0.98 -0.02 -1.26 -4.74 135.00 134.02 3mjw n PRO 208 Ca -0.19 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 3mjw n PRO 208 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3mjw n PRO 208 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mjw h GLU 209 N -0.38 -0.23 -0.54 -0.52 5.08 -1.91 -1.19 114.58 114.88 3mjw h GLU 209 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3mjw h GLU 209 Cb 1.32 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 3mjw h GLU 209 CO 0.47 -0.15 0.35 0.10 -1.00 0.00 0.00 179.01 178.77 3mjw h TYR 210 N -0.24 0.69 -0.00 4.33 -0.00 -1.90 -1.59 116.97 118.25 3mjw h TYR 210 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.89 3mjw h TYR 210 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 36.97 3mjw h TYR 210 CO -0.42 0.44 -0.16 1.28 -0.00 0.00 0.00 178.16 179.30 3mjw n LEU 211 N -4.45 0.37 0.09 0.10 4.77 -0.87 -2.65 117.00 114.37 3mjw n LEU 211 Ca 0.05 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 3mjw n LEU 211 Cb 0.05 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3mjw n LEU 211 CO 0.36 0.07 0.26 -0.50 -1.33 0.00 0.00 177.39 176.25 3mjw h TRP 212 N 0.34 0.00 -0.30 -1.77 -0.00 -0.21 -3.35 115.95 110.65 3mjw h TRP 212 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 3mjw h TRP 212 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.56 3mjw h TRP 212 CO 0.00 0.75 0.02 0.87 -0.00 0.00 0.00 178.44 180.08 3mjw h LYS 213 N 0.00 0.51 -0.94 0.49 1.57 -1.35 -3.08 116.57 113.78 3mjw h LYS 213 Ca -0.02 -0.15 0.14 0.00 -1.87 0.00 0.00 60.65 58.74 3mjw h LYS 213 Cb 1.59 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.76 3mjw h LYS 213 CO 0.09 0.64 0.56 0.87 -0.57 0.00 0.00 179.45 181.04 3mjw h LYS 214 N 0.32 0.80 -4.04 3.15 1.57 -1.69 -3.12 116.57 113.56 3mjw h LYS 214 Ca 0.09 -0.05 -0.77 0.00 -1.87 0.00 0.00 60.65 58.05 3mjw h LYS 214 Cb 0.40 -0.18 -0.25 0.00 0.08 0.00 0.00 32.23 32.28 3mjw h LYS 214 CO 0.01 0.53 0.24 0.42 -0.57 0.00 0.00 179.45 180.08 3mjw s ILE 215 N -5.95 5.47 -0.32 1.86 1.01 -1.16 -4.89 121.20 117.22 3mjw s ILE 215 Ca -0.12 -2.34 0.10 0.00 0.00 0.00 0.00 60.65 58.29 3mjw s ILE 215 Cb 0.22 -4.53 0.73 0.00 0.01 0.00 0.00 42.46 38.89 3mjw s ILE 215 CO 0.80 -1.12 1.78 0.00 0.00 0.00 0.00 174.94 176.40 3mjw n ALA 216 N 4.40 4.51 -1.80 9.38 0.00 -1.18 -4.34 120.51 131.48 3mjw n ALA 216 Ca 0.16 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.21 3mjw n ALA 216 Cb 0.47 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3mjw n ALA 216 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mjw n ASN 217 N -0.23 0.00 -2.91 0.00 6.94 -1.26 -4.96 115.26 112.84 3mjw n ASN 217 Ca 0.40 -1.56 -0.16 0.00 -0.02 0.00 0.00 54.58 53.24 3mjw n ASN 217 Cb 1.36 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 38.66 3mjw n ASN 217 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3mjw n ASN 218 N 0.00 -3.18 -3.82 0.53 6.94 -1.26 -4.91 115.26 109.55 3mjw n ASN 218 Ca 0.00 -0.04 -0.13 0.00 -0.02 0.00 0.00 54.58 54.39 3mjw n ASN 218 Cb 0.61 -2.70 -0.14 0.00 -2.36 0.00 0.00 39.78 35.19 3mjw n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mjw s ILE 220 N 0.30 0.58 -0.38 0.00 1.01 0.24 -4.73 121.20 118.22 3mjw s ILE 220 Ca -0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3mjw s ILE 220 Cb -0.03 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.89 3mjw s ILE 220 CO -0.01 0.21 0.74 -0.36 0.00 0.00 0.00 174.94 175.51 3mjw s PHE 221 N 0.49 3.10 -0.13 3.97 0.40 -1.26 -1.05 117.98 123.51 3mjw s PHE 221 Ca -0.07 0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 3mjw s PHE 221 Cb -0.10 -3.37 -0.01 0.00 0.51 0.00 0.00 43.02 40.05 3mjw s PHE 221 CO 0.00 -0.75 -0.17 0.42 0.70 0.00 0.00 175.22 175.43 3mjw s ILE 222 N 3.01 2.67 -0.22 0.64 1.01 -0.92 -4.01 121.20 123.39 3mjw s ILE 222 Ca 0.29 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3mjw s ILE 222 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3mjw s ILE 222 CO 0.17 0.53 0.09 -0.69 0.00 0.00 0.00 174.94 175.05 3mjw s VAL 223 N 0.45 4.82 -0.09 2.92 1.01 -0.97 -2.08 120.40 126.46 3mjw s VAL 223 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3mjw s VAL 223 Cb -0.16 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3mjw s VAL 223 CO 0.05 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 174.86 3mjw s ILE 224 N 0.89 3.77 0.11 2.22 1.09 -0.94 -0.77 121.20 127.56 3mjw s ILE 224 Ca 0.05 -0.44 0.09 0.00 -1.10 0.00 0.00 60.65 59.25 3mjw s ILE 224 Cb -0.13 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 3mjw s ILE 224 CO 0.03 0.57 -0.23 -1.00 -0.10 0.00 0.00 174.94 174.21 3mjw s HIS 225 N -0.48 1.97 -0.27 3.97 3.76 -0.51 -2.51 115.29 121.23 3mjw s HIS 225 Ca 0.07 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.48 3mjw s HIS 225 Cb -0.12 -1.08 0.11 0.00 1.11 0.00 0.00 32.58 32.60 3mjw s HIS 225 CO 0.02 0.25 0.58 1.03 -0.85 0.00 0.00 174.74 175.77 3mjw s ARG 226 N -1.94 0.51 3.23 1.40 0.52 -1.21 -1.67 118.95 119.79 3mjw s ARG 226 Ca 0.09 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 3mjw s ARG 226 Cb -0.10 0.63 0.00 0.00 0.52 0.00 0.00 34.95 36.00 3mjw s ARG 226 CO 0.05 -0.21 0.00 0.43 0.02 0.00 0.00 175.30 175.59 3mjw n SER 227 N 5.28 0.00 0.00 0.23 7.64 -1.26 0.06 113.62 125.57 3mjw n SER 227 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3mjw n SER 227 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3mjw n SER 227 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3mjw n THR 228 N 0.00 0.01 -0.75 0.44 -1.04 -1.26 -5.09 114.28 106.59 3mjw n THR 228 Ca 0.00 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 3mjw n THR 228 Cb 0.00 1.53 0.14 0.00 -1.82 0.00 0.00 70.33 70.18 3mjw n THR 228 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3mjw n THR 229 N -0.00 0.00 -3.64 12.58 -1.04 0.11 -5.05 114.28 117.24 3mjw n THR 229 Ca 0.00 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.75 3mjw n THR 229 Cb 0.14 -0.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 3mjw n THR 229 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3mjw s SER 230 N -2.07 -0.54 0.12 8.00 0.15 -1.26 -3.32 113.70 114.79 3mjw s SER 230 Ca 0.58 0.93 -0.12 0.00 0.70 0.00 0.00 55.95 58.04 3mjw s SER 230 Cb -0.20 1.09 0.01 0.00 -1.71 0.00 0.00 66.02 65.21 3mjw s SER 230 CO 0.66 -0.15 0.31 -1.58 1.20 0.00 0.00 173.24 173.68 3mjw s GLN 231 N 0.83 1.01 -0.16 5.44 2.00 -1.04 -5.01 119.66 122.73 3mjw s GLN 231 Ca -0.03 -0.88 0.01 0.00 -2.00 0.00 0.00 55.36 52.46 3mjw s GLN 231 Cb -0.04 0.41 0.00 0.00 0.80 0.00 0.00 33.01 34.18 3mjw s GLN 231 CO -0.11 -0.37 -0.17 0.99 -0.50 0.00 0.00 175.29 175.13 3mjw s THR 232 N -3.85 2.45 -0.02 -0.34 2.01 -1.26 -2.22 115.64 112.40 3mjw s THR 232 Ca 0.06 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.26 3mjw s THR 232 Cb 0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3mjw s THR 232 CO -0.09 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.61 3mjw s ILE 233 N 0.89 3.24 -0.23 1.82 -1.09 -0.88 -5.00 121.20 119.94 3mjw s ILE 233 Ca -0.04 -0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 57.48 3mjw s ILE 233 Cb -0.15 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.35 3mjw s ILE 233 CO -0.02 0.50 0.19 -0.54 -1.23 0.00 0.00 174.94 173.84 3mjw s LYS 234 N -1.03 4.09 0.21 2.79 3.01 -1.26 -2.16 119.74 125.39 3mjw s LYS 234 Ca 0.13 -0.20 0.10 0.00 -1.01 0.00 0.00 55.97 55.00 3mjw s LYS 234 Cb -0.11 -3.53 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 3mjw s LYS 234 CO 0.03 0.06 -0.20 0.08 0.51 0.00 0.00 175.35 175.83 3mjw s VAL 235 N 1.05 2.15 0.15 3.17 1.01 -0.21 -4.86 120.40 122.86 3mjw s VAL 235 Ca 0.09 -2.11 -0.18 0.00 0.00 0.00 0.00 61.98 59.79 3mjw s VAL 235 Cb -0.14 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 3mjw s VAL 235 CO 0.05 -0.30 0.62 -0.55 0.00 0.00 0.00 175.10 174.91 3mjw s SER 236 N -2.94 6.99 0.49 3.32 0.15 -1.26 0.79 113.70 121.25 3mjw s SER 236 Ca 0.22 1.26 0.21 0.00 0.70 0.00 0.00 55.95 58.33 3mjw s SER 236 Cb -0.06 -2.36 1.26 0.00 -1.71 0.00 0.00 66.02 63.16 3mjw s SER 236 CO 0.10 0.14 1.99 -0.65 1.20 0.00 0.00 173.24 176.02 3mjw h PRO 237 N 3.84 0.14 -0.32 5.44 0.11 -1.92 0.02 132.00 139.31 3mjw h PRO 237 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mjw h PRO 237 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mjw h PRO 237 CO 0.65 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3mjw n ASP 238 N -4.42 1.86 -4.35 -2.05 8.00 -1.26 -2.62 116.55 111.71 3mjw n ASP 238 Ca 0.09 -1.94 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 3mjw n ASP 238 Cb 0.51 -0.21 0.18 0.00 -0.02 0.00 0.00 41.12 41.58 3mjw n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mjw s ASP 239 N -1.11 2.47 0.12 -2.24 1.11 -0.01 -4.69 116.67 112.32 3mjw s ASP 239 Ca 0.26 0.77 0.09 0.00 0.18 0.00 0.00 52.55 53.84 3mjw s ASP 239 Cb 0.13 -1.16 -0.04 0.00 1.07 0.00 0.00 42.92 42.93 3mjw s ASP 239 CO 0.18 -3.18 -0.21 -0.89 1.18 0.00 0.00 175.17 172.25 3mjw s THR 240 N -3.25 1.82 0.22 -1.27 2.01 -1.26 -1.71 115.64 112.20 3mjw s THR 240 Ca 0.68 -1.64 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 3mjw s THR 240 Cb -0.12 -1.67 0.25 0.00 0.01 0.00 0.00 72.50 70.97 3mjw s THR 240 CO 0.55 -0.07 1.58 -0.65 -0.69 0.00 0.00 174.62 175.33 3mjw h PRO 241 N 3.92 -0.05 -0.68 4.92 0.11 -1.75 0.20 132.00 138.66 3mjw h PRO 241 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3mjw h PRO 241 Cb 1.18 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3mjw h PRO 241 CO 0.41 -0.04 0.13 0.78 -0.21 0.00 0.00 178.00 179.07 3mjw h GLY 242 N -0.06 1.20 0.92 -0.55 0.00 -1.91 -0.90 103.07 101.78 3mjw h GLY 242 Ca 0.33 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3mjw h GLY 242 CO -0.82 0.73 -0.24 0.00 0.00 0.00 0.00 176.54 176.21 3mjw h ALA 243 N 1.08 -0.61 -0.69 3.60 0.00 -1.56 -0.60 119.26 120.48 3mjw h ALA 243 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3mjw h ALA 243 Cb 0.42 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3mjw h ALA 243 CO 0.01 -0.85 0.15 -0.84 0.00 0.00 0.00 179.25 177.72 3mjw h ILE 244 N -0.61 1.26 0.77 0.00 -2.65 -0.61 -1.10 117.51 114.57 3mjw h ILE 244 Ca -0.05 -0.99 -0.04 0.00 1.03 0.00 0.00 64.86 64.81 3mjw h ILE 244 Cb 0.49 0.58 0.01 0.00 -2.05 0.00 0.00 36.82 35.85 3mjw h ILE 244 CO 0.06 0.38 -0.37 0.25 0.03 0.00 0.00 178.15 178.50 3mjw h LEU 245 N 1.05 -0.87 -1.52 0.16 6.46 -1.05 -1.33 115.31 118.21 3mjw h LEU 245 Ca 0.21 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.10 3mjw h LEU 245 Cb 0.40 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3mjw h LEU 245 CO 0.01 -0.62 0.46 1.56 -0.62 0.00 0.00 178.44 179.23 3mjw h GLN 246 N -1.04 0.52 -0.81 1.25 4.20 -1.08 0.42 115.11 118.56 3mjw h GLN 246 Ca -0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3mjw h GLN 246 Cb 0.79 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 3mjw h GLN 246 CO 0.17 0.34 0.52 1.03 -0.67 0.00 0.00 178.83 180.22 3mjw h SER 247 N 0.53 0.95 -0.12 1.46 0.87 -0.74 -1.17 113.55 115.33 3mjw h SER 247 Ca 0.32 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 3mjw h SER 247 Cb 0.54 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3mjw h SER 247 CO -0.11 0.70 -0.24 -0.26 -0.53 0.00 0.00 176.83 176.39 3mjw h PHE 248 N 1.11 0.47 -0.08 2.24 -1.00 0.21 -2.37 116.94 117.52 3mjw h PHE 248 Ca 0.30 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 3mjw h PHE 248 Cb -0.10 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 3mjw h PHE 248 CO 0.00 0.86 0.05 0.74 -1.61 0.00 0.00 178.31 178.35 3mjw h PHE 249 N -0.05 0.11 0.00 -0.55 0.05 -1.22 -0.36 116.94 114.91 3mjw h PHE 249 Ca 0.00 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 3mjw h PHE 249 Cb 0.84 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.75 3mjw h PHE 249 CO 0.11 0.11 -0.11 1.79 -0.18 0.00 0.00 178.31 180.03 3mjw h THR 250 N 0.07 0.99 0.00 -1.55 1.35 -1.29 -2.69 112.91 109.80 3mjw h THR 250 Ca 0.03 -0.38 -0.21 0.00 -0.55 0.00 0.00 66.41 65.30 3mjw h THR 250 Cb 0.03 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 3mjw h THR 250 CO -0.01 0.11 -1.02 0.50 -0.25 0.00 0.00 175.52 174.85 3mjw h LYS 251 N 0.00 0.00 0.00 4.72 3.11 -0.90 -3.51 116.57 119.99 3mjw h LYS 251 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3mjw h LYS 251 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 3mjw h LYS 251 CO 0.01 0.87 -0.59 -1.33 -2.81 0.00 0.00 179.45 175.60 3mjw n MET 252 N -3.29 0.00 0.00 1.90 2.00 -0.19 -5.08 117.12 112.45 3mjw n MET 252 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3mjw n MET 252 Cb 0.92 -0.31 0.00 0.00 0.00 0.00 0.00 33.22 33.83 3mjw n MET 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3mjw n GLN 268 N -2.78 1.66 -2.15 0.03 1.13 -1.26 -4.63 117.38 109.37 3mjw n GLN 268 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3mjw n GLN 268 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.65 3mjw n GLN 268 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3mjw n ASP 269 N 0.00 -2.00 -4.26 1.08 8.00 -1.26 -5.10 116.55 113.02 3mjw n ASP 269 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 3mjw n ASP 269 Cb 0.00 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 40.48 3mjw n ASP 269 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mjw s PHE 270 N -3.00 1.67 0.02 1.24 -0.12 -1.26 -4.36 117.98 112.17 3mjw s PHE 270 Ca 0.00 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.48 3mjw s PHE 270 Cb 0.00 -0.93 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 3mjw s PHE 270 CO 0.00 0.16 -0.06 0.54 -0.05 0.00 0.00 175.22 175.82 3mjw s VAL 271 N -1.14 0.38 -0.60 -2.49 0.11 -0.74 -4.92 120.40 111.00 3mjw s VAL 271 Ca 0.05 -0.71 -0.23 0.00 -2.93 0.00 0.00 61.98 58.16 3mjw s VAL 271 Cb -0.10 -0.42 0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3mjw s VAL 271 CO 0.04 -0.23 0.94 -0.76 -3.33 0.00 0.00 175.10 171.75 3mjw s LEU 272 N -1.01 4.26 0.19 2.54 1.43 -1.26 -2.74 118.68 122.08 3mjw s LEU 272 Ca -0.07 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 3mjw s LEU 272 Cb -0.07 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 3mjw s LEU 272 CO -0.00 -1.31 0.42 -0.60 0.23 0.00 0.00 176.35 175.09 3mjw s ARG 273 N 3.96 3.60 0.35 1.70 3.52 -0.72 -1.83 118.95 129.53 3mjw s ARG 273 Ca 0.26 -0.12 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 3mjw s ARG 273 Cb -0.15 -2.80 -0.10 0.00 -1.56 0.00 0.00 34.95 30.34 3mjw s ARG 273 CO 0.15 0.40 0.89 0.08 -0.81 0.00 0.00 175.30 176.01 3mjw s VAL 274 N -1.79 4.38 -0.15 7.11 1.01 -0.39 -0.21 120.40 130.35 3mjw s VAL 274 Ca 0.41 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 3mjw s VAL 274 Cb -0.12 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3mjw s VAL 274 CO 0.26 -0.05 1.33 0.00 0.00 0.00 0.00 175.10 176.64 3mjw n GLY 276 N 3.70 3.32 0.00 0.00 0.00 -1.20 -4.48 105.19 106.53 3mjw n GLY 276 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mjw n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mjw n ARG 277 N -2.00 2.40 -1.92 1.61 1.74 -1.23 -4.75 116.66 112.51 3mjw n ARG 277 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3mjw n ARG 277 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 3mjw n ARG 277 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mjw n ASP 278 N -1.03 4.55 -4.74 0.55 -0.08 -0.13 -4.82 116.55 110.85 3mjw n ASP 278 Ca 0.00 -3.71 -0.34 0.00 -1.51 0.00 0.00 54.79 49.23 3mjw n ASP 278 Cb 0.00 -0.36 -0.08 0.00 2.34 0.00 0.00 41.12 43.02 3mjw n ASP 278 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3mjw s GLU 279 N -3.57 3.06 -0.12 -0.67 2.56 -1.26 -4.89 118.70 113.81 3mjw s GLU 279 Ca 0.49 -0.41 0.02 0.00 0.00 0.00 0.00 54.97 55.08 3mjw s GLU 279 Cb 0.40 -2.86 -0.00 0.00 2.00 0.00 0.00 34.13 33.67 3mjw s GLU 279 CO 0.03 0.69 -0.19 0.71 -0.56 0.00 0.00 175.26 175.94 3mjw s TYR 280 N -1.01 2.68 -1.14 5.30 1.51 -1.26 -1.27 117.35 122.17 3mjw s TYR 280 Ca 0.17 -0.97 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 3mjw s TYR 280 Cb -0.12 -1.79 0.26 0.00 -0.11 0.00 0.00 41.96 40.21 3mjw s TYR 280 CO 0.07 -0.40 1.47 1.28 -1.11 0.00 0.00 175.55 176.86 3mjw n LEU 281 N 3.68 6.17 -4.40 -1.29 4.32 -0.76 -4.58 117.00 120.15 3mjw n LEU 281 Ca -0.19 -5.00 -0.20 0.00 -0.02 0.00 0.00 56.01 50.60 3mjw n LEU 281 Cb 0.53 -1.39 -0.10 0.00 -1.62 0.00 0.00 43.42 40.84 3mjw n LEU 281 CO 0.29 1.47 -0.25 0.68 -1.22 0.00 0.00 177.39 178.36 3mjw s VAL 282 N -1.48 0.84 0.00 4.08 -7.23 -1.26 -4.59 120.40 110.76 3mjw s VAL 282 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3mjw s VAL 282 Cb 0.02 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3mjw s VAL 282 CO 0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 3mjw n GLY 283 N -0.63 1.63 2.52 2.32 0.00 -1.26 -4.76 105.19 105.02 3mjw n GLY 283 Ca -0.02 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 3mjw n GLY 283 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mjw n GLU 284 N 0.56 4.66 -4.67 1.61 -0.58 -1.26 -4.16 120.64 116.80 3mjw n GLU 284 Ca 0.00 -3.62 -0.25 0.00 -0.42 0.00 0.00 57.16 52.86 3mjw n GLU 284 Cb 0.00 -2.63 -0.16 0.00 -0.57 0.00 0.00 31.44 28.08 3mjw n GLU 284 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3mjw s THR 285 N -1.48 1.23 -0.03 2.62 2.01 -1.26 -5.09 115.64 113.64 3mjw s THR 285 Ca 0.51 -0.56 -0.36 0.00 0.31 0.00 0.00 61.69 61.60 3mjw s THR 285 Cb 0.18 -1.10 -0.14 0.00 0.01 0.00 0.00 72.50 71.45 3mjw s THR 285 CO -0.09 0.37 1.67 -2.65 -0.69 0.00 0.00 174.62 173.23 3mjw n PRO 286 N 3.60 1.75 0.00 4.92 -0.02 -1.25 -4.32 135.00 139.69 3mjw n PRO 286 Ca -0.21 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3mjw n PRO 286 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3mjw n PRO 286 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3mjw n ILE 287 N 4.06 1.30 1.17 4.25 -0.00 -0.69 0.14 119.36 129.58 3mjw n ILE 287 Ca 0.21 0.38 0.02 0.00 -0.00 0.00 0.00 62.75 63.36 3mjw n ILE 287 Cb 0.24 -1.38 0.07 0.00 -0.00 0.00 0.00 39.64 38.57 3mjw n ILE 287 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3mjw n LYS 288 N -1.31 1.51 0.00 6.28 5.02 -1.08 -3.34 118.16 125.24 3mjw n LYS 288 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 3mjw n LYS 288 Cb 0.05 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3mjw n LYS 288 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mjw n ASN 289 N 0.00 0.83 -4.85 4.39 4.13 0.37 -4.85 115.26 115.29 3mjw n ASN 289 Ca 0.05 -1.18 -0.32 0.00 1.68 0.00 0.00 54.58 54.81 3mjw n ASN 289 Cb 0.25 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.44 3mjw n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3mjw s PHE 290 N -0.18 3.39 0.08 3.10 0.40 -1.21 -1.53 117.98 122.02 3mjw s PHE 290 Ca 0.00 1.29 -0.10 0.00 -0.60 0.00 0.00 56.93 57.52 3mjw s PHE 290 Cb 0.00 -2.61 -0.24 0.00 0.51 0.00 0.00 43.02 40.68 3mjw s PHE 290 CO 0.00 -0.04 1.16 1.96 0.70 0.00 0.00 175.22 179.00 3mjw h GLN 291 N 1.84 0.50 -0.16 0.44 1.08 -1.86 -2.03 115.11 114.92 3mjw h GLN 291 Ca -0.48 -0.67 -0.01 0.00 -1.45 0.00 0.00 58.65 56.05 3mjw h GLN 291 Cb 1.18 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.82 3mjw h GLN 291 CO 0.64 1.28 0.06 2.35 -0.95 0.00 0.00 178.83 182.21 3mjw h TRP 292 N 0.23 0.24 -0.64 2.96 -0.00 -1.95 0.32 115.95 117.11 3mjw h TRP 292 Ca -0.15 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.72 3mjw h TRP 292 Cb 1.85 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 30.90 3mjw h TRP 292 CO 0.09 0.31 0.39 0.28 -0.00 0.00 0.00 178.44 179.51 3mjw h VAL 293 N 0.11 1.18 0.00 2.65 2.07 -1.86 -1.02 116.25 119.38 3mjw h VAL 293 Ca 0.05 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3mjw h VAL 293 Cb 0.17 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3mjw h VAL 293 CO -0.00 0.19 -0.19 0.03 0.02 0.00 0.00 177.57 177.62 3mjw h ARG 294 N 0.87 0.00 -0.02 1.57 -0.00 -1.12 -2.90 114.38 112.79 3mjw h ARG 294 Ca 0.23 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.65 3mjw h ARG 294 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.94 3mjw h ARG 294 CO -0.04 0.19 -0.23 1.25 0.00 0.00 0.00 179.97 181.14 3mjw h HIS 295 N 0.00 0.26 -0.50 3.04 6.17 0.49 -2.93 115.15 121.69 3mjw h HIS 295 Ca -0.00 -0.13 0.08 0.00 0.71 0.00 0.00 60.37 61.02 3mjw h HIS 295 Cb 0.53 -0.03 -0.06 0.00 2.52 0.00 0.00 27.41 30.36 3mjw h HIS 295 CO 0.00 0.90 0.14 0.00 0.71 0.00 0.00 177.93 179.67 3mjw h LEU 297 N 0.29 1.05 -0.18 0.00 3.38 -1.60 0.93 115.31 119.18 3mjw h LEU 297 Ca 0.25 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3mjw h LEU 297 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3mjw h LEU 297 CO -0.29 0.72 0.04 0.50 0.09 0.00 0.00 178.44 179.50 3mjw h LYS 298 N 1.22 0.11 -0.40 1.13 1.63 -1.08 -2.62 116.57 116.56 3mjw h LYS 298 Ca 0.38 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 3mjw h LYS 298 Cb -0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3mjw h LYS 298 CO -0.12 0.07 0.00 0.09 -3.45 0.00 0.00 179.45 176.04 3mjw n ASN 299 N -5.08 2.32 -3.23 4.20 4.13 -0.65 -4.98 115.26 111.97 3mjw n ASN 299 Ca -0.03 -1.96 -0.09 0.00 1.68 0.00 0.00 54.58 54.18 3mjw n ASN 299 Cb 0.08 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 3mjw n ASN 299 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mjw n GLY 300 N 1.21 -1.19 3.34 7.41 0.00 0.29 -5.03 105.19 111.21 3mjw n GLY 300 Ca 0.15 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.64 3mjw n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mjw s GLU 301 N -3.39 1.51 -0.33 1.61 2.02 0.49 -4.98 118.70 115.63 3mjw s GLU 301 Ca 0.05 -1.84 -0.15 0.00 0.02 0.00 0.00 54.97 53.06 3mjw s GLU 301 Cb -0.01 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 3mjw s GLU 301 CO 0.80 -0.36 0.33 -1.21 0.02 0.00 0.00 175.26 174.84 3mjw s GLU 302 N -3.94 3.63 -1.07 1.61 2.02 -1.26 -4.60 118.70 115.10 3mjw s GLU 302 Ca 0.36 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.70 3mjw s GLU 302 Cb 0.07 -3.78 -0.18 0.00 0.10 0.00 0.00 34.13 30.34 3mjw s GLU 302 CO 0.15 -0.46 2.11 0.42 0.02 0.00 0.00 175.26 177.49 3mjw s ILE 303 N 1.97 3.15 0.18 -1.63 1.09 -1.26 -4.91 121.20 119.79 3mjw s ILE 303 Ca 0.11 -0.24 -0.30 0.00 -1.10 0.00 0.00 60.65 59.12 3mjw s ILE 303 Cb -0.17 -4.01 -0.07 0.00 -1.06 0.00 0.00 42.46 37.15 3mjw s ILE 303 CO 0.11 -0.29 1.04 -1.00 -0.10 0.00 0.00 174.94 174.71 3mjw s HIS 304 N 15.28 3.70 -0.17 3.97 3.76 -1.26 -2.28 115.29 138.29 3mjw s HIS 304 Ca 0.80 1.70 -0.04 0.00 -0.15 0.00 0.00 55.06 57.36 3mjw s HIS 304 Cb -0.05 -3.18 0.08 0.00 1.11 0.00 0.00 32.58 30.54 3mjw s HIS 304 CO 0.15 -0.26 0.23 0.08 -0.85 0.00 0.00 174.74 174.10 3mjw s VAL 305 N -0.37 -0.36 -0.10 -0.90 1.01 0.05 -2.25 120.40 117.49 3mjw s VAL 305 Ca 0.47 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 3mjw s VAL 305 Cb -0.28 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3mjw s VAL 305 CO 0.34 -0.05 0.66 0.54 0.00 0.00 0.00 175.10 176.58 3mjw s VAL 306 N 2.36 5.06 -0.20 2.92 0.11 0.70 -1.42 120.40 129.93 3mjw s VAL 306 Ca 0.05 1.33 -0.18 0.00 -2.93 0.00 0.00 61.98 60.25 3mjw s VAL 306 Cb -0.14 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 3mjw s VAL 306 CO -0.10 0.24 0.48 -0.22 -3.33 0.00 0.00 175.10 172.16 3mjw s LEU 307 N 0.96 4.15 0.00 2.54 2.96 -0.67 -1.76 118.68 126.86 3mjw s LEU 307 Ca 0.34 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3mjw s LEU 307 Cb -0.17 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 43.89 3mjw s LEU 307 CO 0.15 -0.14 0.12 -0.90 -1.32 0.00 0.00 176.35 174.27 3mjw n ASP 308 N 4.66 -0.36 -4.77 3.68 5.75 -1.11 -4.81 116.55 119.59 3mjw n ASP 308 Ca -0.06 -1.26 -0.39 0.00 -0.01 0.00 0.00 54.79 53.07 3mjw n ASP 308 Cb 0.51 0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 41.18 3mjw n ASP 308 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3mjw s THR 309 N -2.82 3.01 0.31 2.12 2.01 -1.26 -1.80 115.64 117.21 3mjw s THR 309 Ca 0.03 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 3mjw s THR 309 Cb -0.01 -3.50 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 3mjw s THR 309 CO 0.02 0.10 1.45 -2.84 -0.69 0.00 0.00 174.62 172.67 3mjw s PRO 310 N -2.22 4.22 0.53 4.92 0.02 -1.26 -4.83 135.00 136.37 3mjw s PRO 310 Ca 0.56 2.41 -0.21 0.00 0.02 0.00 0.00 61.00 63.78 3mjw s PRO 310 Cb -0.33 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.08 3mjw s PRO 310 CO 0.42 -0.44 1.18 -1.25 -0.33 0.00 0.00 177.00 176.58 3mjw s PRO 311 N -1.17 3.40 -0.27 5.54 0.04 -1.26 -4.95 135.00 136.33 3mjw s PRO 311 Ca 0.56 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 3mjw s PRO 311 Cb -0.44 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 3mjw s PRO 311 CO 0.51 -0.85 1.27 0.34 0.04 0.00 0.00 177.00 178.32 3mjw s ASP 312 N -1.52 6.75 0.35 6.66 2.15 -1.26 -4.90 116.67 124.89 3mjw s ASP 312 Ca 0.71 1.30 0.24 0.00 0.43 0.00 0.00 52.55 55.23 3mjw s ASP 312 Cb -0.28 -2.54 1.25 0.00 -0.30 0.00 0.00 42.92 41.05 3mjw s ASP 312 CO 0.33 -0.99 1.75 -0.65 -0.17 0.00 0.00 175.17 175.43 3mjw h PRO 313 N 8.95 0.00 0.00 4.34 0.11 -1.92 -1.82 132.00 141.66 3mjw h PRO 313 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3mjw h PRO 313 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mjw h PRO 313 CO 1.02 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 3mjw n ALA 314 N -1.81 1.16 0.11 -0.75 0.00 -1.26 -1.19 120.51 116.76 3mjw n ALA 314 Ca -0.01 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 3mjw n ALA 314 Cb 0.09 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 3mjw n ALA 314 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mjw h LEU 315 N 0.00 0.48 -0.58 0.00 3.38 -1.73 -3.17 115.31 113.69 3mjw h LEU 315 Ca 0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3mjw h LEU 315 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3mjw h LEU 315 CO 0.00 1.41 0.00 0.47 0.09 0.00 0.00 178.44 180.41 3mjw n ASP 316 N -3.55 0.61 -4.68 -0.43 8.00 -0.34 -2.13 116.55 114.03 3mjw n ASP 316 Ca -0.10 -2.01 -0.36 0.00 0.71 0.00 0.00 54.79 53.03 3mjw n ASP 316 Cb 1.04 -0.28 0.08 0.00 -0.02 0.00 0.00 41.12 41.94 3mjw n ASP 316 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3mjw n GLU 317 N -0.21 0.77 -4.58 -1.24 2.13 -1.20 -4.46 120.64 111.86 3mjw n GLU 317 Ca 0.00 0.32 -0.31 0.00 0.66 0.00 0.00 57.16 57.84 3mjw n GLU 317 Cb 0.15 -2.40 -0.12 0.00 0.27 0.00 0.00 31.44 29.34 3mjw n GLU 317 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mjw s VAL 318 N -1.64 3.01 0.44 6.31 1.01 -1.26 -0.91 120.40 127.37 3mjw s VAL 318 Ca 0.78 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 3mjw s VAL 318 Cb -0.36 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 3mjw s VAL 318 CO 0.45 0.33 0.98 -0.60 0.00 0.00 0.00 175.10 176.26 3mjw s ARG 319 N -1.51 4.10 -0.36 2.72 3.52 -1.26 -4.95 118.95 121.21 3mjw s ARG 319 Ca 0.16 1.22 -0.27 0.00 -0.13 0.00 0.00 55.73 56.70 3mjw s ARG 319 Cb -0.11 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 31.05 3mjw s ARG 319 CO 0.06 -0.16 2.23 -1.59 -0.81 0.00 0.00 175.30 175.04 3mjw s LYS 320 N -3.15 2.73 0.00 5.12 -2.85 -1.26 -5.07 119.74 115.26 3mjw s LYS 320 Ca 0.63 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 57.26 3mjw s LYS 320 Cb -0.12 -4.44 0.00 0.00 -2.06 0.00 0.00 37.83 31.21 3mjw s LYS 320 CO 0.16 -2.57 0.00 -1.91 0.10 0.00 0.00 175.35 171.13 3mjw n GLU 321 N 8.85 0.00 0.00 1.78 2.13 -1.26 -5.05 120.64 127.09 3mjw n GLU 321 Ca 0.31 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.13 3mjw n GLU 321 Cb 0.49 -0.23 0.00 0.00 0.27 0.00 0.00 31.44 31.98 3mjw n GLU 321 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mjw n ASP 358 N 0.00 1.16 -4.79 0.00 10.43 -1.26 -4.02 116.55 118.07 3mjw n ASP 358 Ca 0.00 -1.42 -0.34 0.00 2.57 0.00 0.00 54.79 55.60 3mjw n ASP 358 Cb 0.00 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 3mjw n ASP 358 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3mjw s ARG 359 N -0.42 3.62 -0.31 -1.24 3.52 -1.26 -4.68 118.95 118.17 3mjw s ARG 359 Ca 0.00 1.44 -0.29 0.00 -0.13 0.00 0.00 55.73 56.75 3mjw s ARG 359 Cb 0.00 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.33 3mjw s ARG 359 CO 0.00 -0.60 1.42 0.15 -0.81 0.00 0.00 175.30 175.46 3mjw s LYS 360 N -3.30 3.78 -0.09 5.12 1.02 -1.26 -2.24 119.74 122.77 3mjw s LYS 360 Ca 0.69 1.27 -0.41 0.00 0.02 0.00 0.00 55.97 57.54 3mjw s LYS 360 Cb -0.19 -3.97 -0.19 0.00 -0.52 0.00 0.00 37.83 32.97 3mjw s LYS 360 CO 0.23 -1.30 1.26 0.34 -0.92 0.00 0.00 175.35 174.96 3mjw n PHE 361 N 8.23 1.11 -4.31 3.18 7.35 -0.30 -4.43 117.46 128.29 3mjw n PHE 361 Ca 0.16 0.95 -0.18 0.00 -0.76 0.00 0.00 57.45 57.63 3mjw n PHE 361 Cb 0.47 -2.19 -0.14 0.00 0.35 0.00 0.00 39.48 37.97 3mjw n PHE 361 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3mjw s ARG 362 N 0.86 0.75 -0.05 -4.13 1.70 -1.26 -0.85 118.95 115.97 3mjw s ARG 362 Ca 0.93 -0.50 0.02 0.00 -0.47 0.00 0.00 55.73 55.70 3mjw s ARG 362 Cb -1.23 -0.70 0.02 0.00 -0.57 0.00 0.00 34.95 32.46 3mjw s ARG 362 CO 0.60 0.18 -0.08 0.54 -1.08 0.00 0.00 175.30 175.46 3mjw s VAL 363 N -0.56 0.79 -0.17 4.99 0.11 -0.76 -4.64 120.40 120.17 3mjw s VAL 363 Ca 0.01 -0.28 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 3mjw s VAL 363 Cb -0.06 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 3mjw s VAL 363 CO 0.00 0.28 0.59 -0.75 -3.33 0.00 0.00 175.10 171.89 3mjw s LYS 364 N 0.78 4.26 -0.52 1.54 2.20 -1.08 -1.17 119.74 125.75 3mjw s LYS 364 Ca -0.13 0.58 -0.18 0.00 -0.36 0.00 0.00 55.97 55.88 3mjw s LYS 364 Cb -0.15 -3.53 0.08 0.00 -1.51 0.00 0.00 37.83 32.72 3mjw s LYS 364 CO 0.02 -0.11 0.57 0.42 -0.36 0.00 0.00 175.35 175.89 3mjw s ILE 365 N 1.47 4.99 0.06 5.43 1.01 -0.30 -1.35 121.20 132.51 3mjw s ILE 365 Ca 0.28 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 3mjw s ILE 365 Cb -0.16 -4.31 -0.13 0.00 0.01 0.00 0.00 42.46 37.87 3mjw s ILE 365 CO 0.11 -0.84 1.35 0.03 0.00 0.00 0.00 174.94 175.59 3mjw h ARG 366 N 8.97 0.48 0.00 2.79 3.08 -1.46 -2.55 114.38 125.69 3mjw h ARG 366 Ca -0.29 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3mjw h ARG 366 Cb 1.10 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mjw h ARG 366 CO 0.99 0.85 0.00 0.41 -1.07 0.00 0.00 179.97 181.15 3mjw n GLY 367 N 0.24 3.29 3.94 0.04 0.00 -1.24 -0.91 105.19 110.55 3mjw n GLY 367 Ca -0.06 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 3mjw n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mjw s ILE 368 N -2.00 5.30 -0.22 -0.61 -4.36 -0.43 -1.98 121.20 116.90 3mjw s ILE 368 Ca 0.00 -0.61 -0.04 0.00 -0.26 0.00 0.00 60.65 59.74 3mjw s ILE 368 Cb 0.00 -3.74 0.11 0.00 1.25 0.00 0.00 42.46 40.08 3mjw s ILE 368 CO 0.00 -0.11 0.38 1.51 0.24 0.00 0.00 174.94 176.96 3mjw s ASP 369 N -3.22 0.06 -0.07 4.36 3.84 -1.05 -1.79 116.67 118.81 3mjw s ASP 369 Ca 0.35 0.54 0.04 0.00 -0.00 0.00 0.00 52.55 53.49 3mjw s ASP 369 Cb -0.11 1.17 -0.00 0.00 -1.38 0.00 0.00 42.92 42.60 3mjw s ASP 369 CO 0.29 -0.27 -0.20 -0.51 -0.00 0.00 0.00 175.17 174.48 3mjw s ILE 370 N 2.56 1.71 0.03 2.11 2.07 -0.25 -0.88 121.20 128.54 3mjw s ILE 370 Ca 0.06 -0.85 -0.08 0.00 -1.41 0.00 0.00 60.65 58.38 3mjw s ILE 370 Cb -0.14 -1.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.95 3mjw s ILE 370 CO -0.14 0.48 1.12 -0.65 -1.91 0.00 0.00 174.94 173.84 3mjw h PRO 371 N 6.44 -0.13 -2.69 3.50 0.11 -1.82 -3.44 132.00 133.97 3mjw h PRO 371 Ca -0.28 0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.32 3mjw h PRO 371 Cb 1.19 0.03 -0.39 0.00 0.11 0.00 0.00 31.00 31.94 3mjw h PRO 371 CO 0.47 -0.09 -0.77 0.08 -0.21 0.00 0.00 178.00 177.48 3mjw s VAL 372 N -3.61 -0.08 0.00 3.15 1.01 -1.26 -4.99 120.40 114.63 3mjw s VAL 372 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3mjw s VAL 372 Cb 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3mjw s VAL 372 CO 0.14 -0.74 0.00 0.35 0.00 0.00 0.00 175.10 174.85 3mjw n THR 380 N 5.09 0.00 -3.66 3.92 -2.24 -1.26 -5.16 114.28 110.97 3mjw n THR 380 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3mjw n THR 380 Cb 0.42 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 3mjw n THR 380 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mjw s VAL 381 N 0.00 -0.00 0.28 2.28 1.01 -1.12 -4.18 120.40 118.66 3mjw s VAL 381 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3mjw s VAL 381 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3mjw s VAL 381 CO 0.00 0.00 0.52 0.72 0.00 0.00 0.00 175.10 176.34 3mjw s PHE 382 N 0.62 0.44 -0.09 5.22 -0.71 -0.95 -1.79 117.98 120.72 3mjw s PHE 382 Ca -0.02 -0.81 0.04 0.00 -1.04 0.00 0.00 56.93 55.10 3mjw s PHE 382 Cb -0.05 0.23 -0.00 0.00 -1.21 0.00 0.00 43.02 41.99 3mjw s PHE 382 CO -0.03 -1.09 -0.24 0.08 -1.34 0.00 0.00 175.22 172.60 3mjw s VAL 383 N -3.67 2.03 -0.38 -2.49 1.01 -1.26 -2.25 120.40 113.38 3mjw s VAL 383 Ca 0.23 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3mjw s VAL 383 Cb -0.01 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.70 3mjw s VAL 383 CO 0.11 0.55 0.17 -0.70 0.00 0.00 0.00 175.10 175.24 3mjw s GLU 384 N 0.30 2.32 -0.56 2.72 2.12 -0.26 -1.49 118.70 123.84 3mjw s GLU 384 Ca -0.17 -1.55 -0.18 0.00 0.36 0.00 0.00 54.97 53.43 3mjw s GLU 384 Cb -0.17 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.77 3mjw s GLU 384 CO 0.08 -0.92 0.61 0.00 -0.54 0.00 0.00 175.26 174.49 3mjw s ALA 385 N 1.27 3.51 0.24 6.30 0.00 -0.26 -1.62 121.76 131.22 3mjw s ALA 385 Ca 0.03 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 49.65 3mjw s ALA 385 Cb -0.22 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3mjw s ALA 385 CO -0.01 -2.18 0.46 -0.80 0.00 0.00 0.00 175.76 173.23 3mjw s ASN 386 N 3.53 6.39 -0.59 0.00 0.01 -0.28 -2.82 114.94 121.19 3mjw s ASN 386 Ca 0.08 0.50 -0.06 0.00 -0.71 0.00 0.00 52.86 52.67 3mjw s ASN 386 Cb -0.26 -2.05 0.15 0.00 0.41 0.00 0.00 41.25 39.50 3mjw s ASN 386 CO 0.05 -0.12 0.43 -0.63 -1.51 0.00 0.00 177.10 175.32 3mjw s ILE 387 N -1.98 4.03 0.39 0.60 1.01 -0.62 -0.16 121.20 124.46 3mjw s ILE 387 Ca 0.40 -2.49 -0.08 0.00 0.00 0.00 0.00 60.65 58.48 3mjw s ILE 387 Cb -0.11 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3mjw s ILE 387 CO 0.30 -0.85 0.72 -1.10 0.00 0.00 0.00 174.94 174.01 3mjw s GLN 388 N 0.47 3.69 -0.30 2.79 -0.21 0.02 -1.64 119.66 124.47 3mjw s GLN 388 Ca 0.13 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.80 3mjw s GLN 388 Cb -0.20 -2.45 0.14 0.00 1.00 0.00 0.00 33.01 31.49 3mjw s GLN 388 CO -0.04 -0.01 0.31 -1.58 -2.12 0.00 0.00 175.29 171.85 3mjw s HIS 389 N -2.38 -0.48 -1.00 0.91 2.46 0.63 -0.89 115.29 114.54 3mjw s HIS 389 Ca 0.48 -0.21 -0.06 0.00 0.47 0.00 0.00 55.06 55.74 3mjw s HIS 389 Cb -0.10 -0.44 -0.05 0.00 -0.13 0.00 0.00 32.58 31.86 3mjw s HIS 389 CO 0.34 -0.93 0.86 0.41 -2.47 0.00 0.00 174.74 172.95 3mjw n GLY 390 N 5.20 -1.17 4.38 1.59 0.00 -1.26 -2.51 105.19 111.42 3mjw n GLY 390 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3mjw n GLY 390 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mjw n GLN 391 N -3.07 0.00 -2.65 1.61 1.13 -1.23 -4.37 117.38 108.80 3mjw n GLN 391 Ca -0.06 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.60 3mjw n GLN 391 Cb 0.60 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 29.26 3mjw n GLN 391 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3mjw s GLN 392 N 0.00 4.77 -0.25 -1.09 0.74 -1.04 -5.04 119.66 117.75 3mjw s GLN 392 Ca 0.00 1.60 -0.08 0.00 0.05 0.00 0.00 55.36 56.93 3mjw s GLN 392 Cb 0.00 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 3mjw s GLN 392 CO 0.00 0.38 0.10 0.54 -0.55 0.00 0.00 175.29 175.77 3mjw s VAL 393 N -1.07 4.65 -0.08 1.34 0.11 -1.26 -0.27 120.40 123.83 3mjw s VAL 393 Ca 0.43 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.37 3mjw s VAL 393 Cb -0.28 -3.18 -0.02 0.00 -1.53 0.00 0.00 36.38 31.38 3mjw s VAL 393 CO 0.35 0.33 -0.09 -0.07 -3.33 0.00 0.00 175.10 172.29 3mjw h LEU 394 N 8.06 0.00 -8.84 2.54 3.38 -1.67 -3.49 115.31 115.29 3mjw h LEU 394 Ca -0.37 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.08 3mjw h LEU 394 Cb 1.18 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 3mjw h LEU 394 CO 0.59 0.43 -0.78 0.00 0.09 0.00 0.00 178.44 178.76 3mjw s GLN 396 N -2.86 0.10 -0.05 0.00 0.74 -1.26 -1.59 119.66 114.73 3mjw s GLN 396 Ca 0.16 0.57 0.02 0.00 0.05 0.00 0.00 55.36 56.16 3mjw s GLN 396 Cb -0.05 -0.17 0.01 0.00 1.10 0.00 0.00 33.01 33.90 3mjw s GLN 396 CO 0.07 -0.25 -0.09 1.03 -0.55 0.00 0.00 175.29 175.49 3mjw s ARG 397 N 1.94 1.31 0.26 1.67 1.81 -1.13 -5.02 118.95 119.80 3mjw s ARG 397 Ca -0.02 -0.30 0.07 0.00 -1.72 0.00 0.00 55.73 53.76 3mjw s ARG 397 Cb -0.12 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.20 3mjw s ARG 397 CO -0.07 0.01 0.19 1.03 -0.68 0.00 0.00 175.30 175.79 3mjw s ARG 398 N 0.64 2.85 0.40 3.54 0.52 -1.26 -1.10 118.95 124.55 3mjw s ARG 398 Ca -0.12 -1.11 0.01 0.00 -0.52 0.00 0.00 55.73 53.99 3mjw s ARG 398 Cb -0.14 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 3mjw s ARG 398 CO 0.02 0.36 0.60 0.95 0.02 0.00 0.00 175.30 177.25 3mjw s THR 399 N -2.17 4.41 0.35 0.02 -4.23 -0.56 -4.99 115.64 108.47 3mjw s THR 399 Ca 0.34 -0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3mjw s THR 399 Cb -0.07 -3.61 -0.11 0.00 1.34 0.00 0.00 72.50 70.05 3mjw s THR 399 CO 0.25 -0.40 1.39 -0.94 -0.54 0.00 0.00 174.62 174.38 3mjw s SER 400 N -4.15 6.59 0.40 3.99 1.04 -1.26 -4.55 113.70 115.77 3mjw s SER 400 Ca 0.45 2.83 -0.27 0.00 0.48 0.00 0.00 55.95 59.44 3mjw s SER 400 Cb -0.10 -2.66 -0.10 0.00 0.10 0.00 0.00 66.02 63.27 3mjw s SER 400 CO 0.36 -0.68 1.43 -2.84 0.98 0.00 0.00 173.24 172.49 3mjw s PRO 401 N -1.84 3.96 0.24 4.02 0.02 -1.26 -4.81 135.00 135.34 3mjw s PRO 401 Ca 0.51 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.99 3mjw s PRO 401 Cb -0.43 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 3mjw s PRO 401 CO 0.57 -0.60 0.06 0.15 -0.33 0.00 0.00 177.00 176.84 3mjw s LYS 402 N -2.21 1.36 0.85 5.54 1.02 -0.74 -4.99 119.74 120.57 3mjw s LYS 402 Ca 0.56 -1.71 -0.15 0.00 0.02 0.00 0.00 55.97 54.69 3mjw s LYS 402 Cb -0.44 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 3mjw s LYS 402 CO 0.58 -0.22 0.27 -2.30 -0.92 0.00 0.00 175.35 172.77 3mjw n PRO 403 N -0.43 -0.02 -3.59 -1.68 -0.02 -1.26 -2.80 135.00 125.21 3mjw n PRO 403 Ca -0.02 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.10 3mjw n PRO 403 Cb 0.65 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 3mjw n PRO 403 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3mjw s PHE 404 N -2.15 3.63 0.45 6.00 -0.71 -1.26 -4.61 117.98 119.34 3mjw s PHE 404 Ca 0.58 -2.61 0.06 0.00 -1.04 0.00 0.00 56.93 53.91 3mjw s PHE 404 Cb -0.27 -3.39 -0.05 0.00 -1.21 0.00 0.00 43.02 38.11 3mjw s PHE 404 CO 0.66 -0.86 0.09 0.95 -1.34 0.00 0.00 175.22 174.72 3mjw s THR 405 N -0.35 1.86 0.56 -4.49 -4.23 -1.26 -5.03 115.64 102.70 3mjw s THR 405 Ca 0.20 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 59.10 3mjw s THR 405 Cb -0.15 -2.73 0.34 0.00 1.34 0.00 0.00 72.50 71.31 3mjw s THR 405 CO -0.07 0.00 2.13 1.05 -0.54 0.00 0.00 174.62 177.19 3mjw h GLU 406 N 1.48 0.00 -3.61 3.99 9.09 -1.94 -3.38 114.58 120.21 3mjw h GLU 406 Ca -0.43 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 58.51 3mjw h GLU 406 Cb 1.27 0.00 -0.39 0.00 -1.65 0.00 0.00 28.75 27.98 3mjw h GLU 406 CO 0.74 0.00 -0.77 -1.83 0.05 0.00 0.00 179.01 177.20 3mjw s GLU 407 N -4.82 0.61 -0.15 1.06 1.03 -1.26 -1.09 118.70 114.08 3mjw s GLU 407 Ca -0.05 -0.13 0.00 0.00 0.03 0.00 0.00 54.97 54.82 3mjw s GLU 407 Cb 0.16 -1.52 0.03 0.00 -0.80 0.00 0.00 34.13 32.01 3mjw s GLU 407 CO 0.61 -0.47 -0.11 0.08 -1.33 0.00 0.00 175.26 174.05 3mjw s VAL 408 N 1.93 1.36 -0.03 1.83 1.01 -0.74 -5.01 120.40 120.75 3mjw s VAL 408 Ca 0.02 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3mjw s VAL 408 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3mjw s VAL 408 CO -0.07 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.52 3mjw s LEU 409 N 1.56 2.93 -0.02 3.92 1.02 -1.26 -1.31 118.68 125.52 3mjw s LEU 409 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3mjw s LEU 409 Cb -0.13 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 3mjw s LEU 409 CO -0.09 0.33 -0.02 0.79 0.02 0.00 0.00 176.35 177.37 3mjw n TRP 410 N 2.05 0.00 -3.93 0.29 8.01 -0.09 -4.95 117.44 118.82 3mjw n TRP 410 Ca -0.17 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.75 3mjw n TRP 410 Cb 0.52 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 3mjw n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3mjw n ASN 411 N -2.60 -1.91 -4.56 -0.99 5.15 -0.97 -4.95 115.26 104.42 3mjw n ASN 411 Ca -0.04 -0.92 -0.34 0.00 -0.60 0.00 0.00 54.58 52.68 3mjw n ASN 411 Cb 0.54 -3.42 -0.11 0.00 -0.53 0.00 0.00 39.78 36.26 3mjw n ASN 411 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mjw s VAL 412 N -3.65 4.14 -0.14 3.44 1.01 -1.19 -4.95 120.40 119.07 3mjw s VAL 412 Ca 0.26 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3mjw s VAL 412 Cb -0.13 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3mjw s VAL 412 CO 0.86 0.51 0.94 0.26 0.00 0.00 0.00 175.10 177.67 3mjw s TRP 413 N 0.07 3.47 -0.48 5.22 0.52 -1.26 -1.15 118.94 125.32 3mjw s TRP 413 Ca 0.01 1.45 -0.08 0.00 0.02 0.00 0.00 56.10 57.50 3mjw s TRP 413 Cb -0.13 -3.12 0.12 0.00 -1.15 0.00 0.00 33.47 29.19 3mjw s TRP 413 CO 0.02 -0.24 0.34 -0.51 0.02 0.00 0.00 176.95 176.58 3mjw s LEU 414 N 2.12 5.64 0.11 2.99 1.43 -0.31 -4.95 118.68 125.71 3mjw s LEU 414 Ca 0.44 -2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 51.27 3mjw s LEU 414 Cb -0.17 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3mjw s LEU 414 CO 0.15 -0.65 0.82 -0.70 0.23 0.00 0.00 176.35 176.20 3mjw s GLU 415 N 1.21 4.59 0.56 1.70 2.12 -1.26 -1.83 118.70 125.79 3mjw s GLU 415 Ca 0.07 1.20 0.08 0.00 0.36 0.00 0.00 54.97 56.69 3mjw s GLU 415 Cb -0.25 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 30.88 3mjw s GLU 415 CO -0.02 0.37 0.65 -0.06 -0.54 0.00 0.00 175.26 175.67 3mjw s PHE 416 N -0.45 1.52 -1.60 5.30 0.40 -0.03 -4.96 117.98 118.16 3mjw s PHE 416 Ca 0.40 -0.76 0.26 0.00 -0.60 0.00 0.00 56.93 56.23 3mjw s PHE 416 Cb -0.22 -2.11 0.76 0.00 0.51 0.00 0.00 43.02 41.95 3mjw s PHE 416 CO 0.26 -0.90 1.57 0.43 0.70 0.00 0.00 175.22 177.28 3mjw n SER 417 N -2.07 0.87 -4.81 1.36 7.64 -1.26 -4.57 113.62 110.78 3mjw n SER 417 Ca 0.10 -0.73 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 3mjw n SER 417 Cb 0.62 0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.89 3mjw n SER 417 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mjw s ILE 418 N -2.59 5.28 1.19 0.44 1.01 -1.26 -4.99 121.20 120.27 3mjw s ILE 418 Ca 0.22 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 3mjw s ILE 418 Cb 0.19 -3.58 0.29 0.00 0.01 0.00 0.00 42.46 39.37 3mjw s ILE 418 CO 0.55 0.53 1.02 -0.54 0.00 0.00 0.00 174.94 176.50 3mjw s LYS 419 N -0.53 -1.12 0.21 2.79 -0.14 -1.26 -1.15 119.74 118.54 3mjw s LYS 419 Ca 0.18 0.62 0.12 0.00 -1.36 0.00 0.00 55.97 55.53 3mjw s LYS 419 Cb -0.14 -1.55 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 3mjw s LYS 419 CO 0.07 -3.80 1.35 0.82 -0.76 0.00 0.00 175.35 173.03 3mjw h ILE 420 N -2.66 1.15 0.00 2.17 5.03 -1.65 -3.29 117.51 118.26 3mjw h ILE 420 Ca -0.58 -2.65 -0.02 0.00 -0.12 0.00 0.00 64.86 61.49 3mjw h ILE 420 Cb 1.34 2.56 -0.00 0.00 -3.03 0.00 0.00 36.82 37.68 3mjw h ILE 420 CO 0.48 0.66 -0.38 0.11 -0.68 0.00 0.00 178.15 178.34 3mjw h LYS 421 N 0.00 0.00 0.00 2.37 1.79 -1.89 -3.26 116.57 115.59 3mjw h LYS 421 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3mjw h LYS 421 Cb 1.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 3mjw h LYS 421 CO 0.09 0.06 0.00 -0.25 -1.08 0.00 0.00 179.45 178.27 3mjw n ASP 422 N -2.99 0.68 -4.69 0.86 8.00 -1.24 -4.50 116.55 112.67 3mjw n ASP 422 Ca 0.02 0.58 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 3mjw n ASP 422 Cb 0.57 -0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3mjw n ASP 422 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mjw s LEU 423 N -4.30 4.40 0.10 0.64 1.43 -1.23 -4.11 118.68 115.61 3mjw s LEU 423 Ca 0.10 2.71 -0.16 0.00 -1.03 0.00 0.00 54.13 55.75 3mjw s LEU 423 Cb 0.13 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 3mjw s LEU 423 CO 0.55 -0.99 0.54 -2.16 0.23 0.00 0.00 176.35 174.52 3mjw s PRO 424 N 2.86 4.05 0.20 1.29 0.05 -1.26 -5.00 135.00 137.19 3mjw s PRO 424 Ca 0.80 0.57 -0.32 0.00 0.05 0.00 0.00 61.00 62.11 3mjw s PRO 424 Cb -0.45 -3.08 -0.12 0.00 0.05 0.00 0.00 34.50 30.91 3mjw s PRO 424 CO 0.36 0.57 1.70 0.21 0.05 0.00 0.00 177.00 179.88 3mjw s LYS 425 N -1.53 4.14 0.00 4.56 2.20 -1.26 -1.72 119.74 126.13 3mjw s LYS 425 Ca 0.33 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 3mjw s LYS 425 Cb -0.17 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 3mjw s LYS 425 CO 0.18 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 3mjw n GLY 426 N 3.95 0.77 3.71 5.54 0.00 -1.26 -4.80 105.19 113.10 3mjw n GLY 426 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3mjw n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjw s ALA 427 N -2.00 3.33 -0.07 4.61 0.00 -0.70 -4.72 121.76 122.21 3mjw s ALA 427 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3mjw s ALA 427 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3mjw s ALA 427 CO 0.00 -0.37 0.28 -0.51 0.00 0.00 0.00 175.76 175.16 3mjw s LEU 428 N 0.97 4.41 -0.60 0.00 1.43 -0.07 -1.49 118.68 123.33 3mjw s LEU 428 Ca 0.56 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 3mjw s LEU 428 Cb -0.27 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.69 3mjw s LEU 428 CO 0.29 0.33 0.83 -0.22 0.23 0.00 0.00 176.35 177.81 3mjw s LEU 429 N -0.86 4.77 -0.65 1.79 2.96 -0.47 -0.80 118.68 125.42 3mjw s LEU 429 Ca 0.19 -1.06 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 3mjw s LEU 429 Cb -0.14 -2.43 0.10 0.00 0.50 0.00 0.00 46.19 44.22 3mjw s LEU 429 CO 0.08 -1.23 0.84 0.21 -1.32 0.00 0.00 176.35 174.93 3mjw s ASN 430 N 3.43 6.23 -0.27 3.68 3.84 0.77 -2.32 114.94 130.30 3mjw s ASN 430 Ca 0.18 -1.35 -0.22 0.00 0.21 0.00 0.00 52.86 51.69 3mjw s ASN 430 Cb -0.19 -2.35 -0.01 0.00 -0.55 0.00 0.00 41.25 38.15 3mjw s ASN 430 CO 0.10 -1.22 0.70 -0.76 -2.79 0.00 0.00 177.10 173.13 3mjw s LEU 431 N 3.14 4.09 0.27 3.21 1.43 -0.35 -1.13 118.68 129.35 3mjw s LEU 431 Ca 0.17 0.70 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 3mjw s LEU 431 Cb -0.20 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 3mjw s LEU 431 CO 0.06 -0.47 -0.12 -1.10 0.23 0.00 0.00 176.35 174.95 3mjw s GLN 432 N 2.68 1.58 -0.08 1.70 -0.21 -0.64 -1.55 119.66 123.15 3mjw s GLN 432 Ca 0.29 -1.76 -0.00 0.00 0.02 0.00 0.00 55.36 53.90 3mjw s GLN 432 Cb -0.15 -1.40 0.02 0.00 1.00 0.00 0.00 33.01 32.48 3mjw s GLN 432 CO 0.10 0.16 -0.05 0.42 -2.12 0.00 0.00 175.29 173.81 3mjw s ILE 433 N -2.80 0.70 0.17 1.08 1.01 -0.32 -1.11 121.20 119.93 3mjw s ILE 433 Ca 0.28 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.90 3mjw s ILE 433 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 3mjw s ILE 433 CO 0.12 0.30 -0.08 -0.31 0.00 0.00 0.00 174.94 174.97 3mjw s TYR 434 N 1.57 2.67 0.00 3.97 2.02 -0.95 -1.19 117.35 125.44 3mjw s TYR 434 Ca 0.00 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3mjw s TYR 434 Cb -0.13 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 3mjw s TYR 434 CO -0.05 0.50 0.00 0.00 -1.57 0.00 0.00 175.55 174.43 3mjw n LYS 457 N -0.60 1.58 -4.24 0.00 4.01 -1.26 -3.93 118.16 113.72 3mjw n LYS 457 Ca 0.00 -4.08 -0.32 0.00 -0.51 0.00 0.00 58.31 53.40 3mjw n LYS 457 Cb 0.00 -1.95 -0.08 0.00 -0.51 0.00 0.00 35.03 32.49 3mjw n LYS 457 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3mjw s VAL 458 N -1.52 4.26 0.05 -0.18 0.11 -1.26 -5.17 120.40 116.68 3mjw s VAL 458 Ca 0.34 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 3mjw s VAL 458 Cb 0.08 -2.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3mjw s VAL 458 CO -0.11 0.35 0.13 -0.13 -3.33 0.00 0.00 175.10 172.02 3mjw s ARG 459 N -1.64 0.66 -0.07 1.54 3.00 -1.25 -5.14 118.95 116.05 3mjw s ARG 459 Ca 0.21 -0.79 -0.28 0.00 0.00 0.00 0.00 55.73 54.87 3mjw s ARG 459 Cb -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 34.95 35.07 3mjw s ARG 459 CO 0.11 -0.18 0.91 -1.17 0.00 0.00 0.00 175.30 174.98 3mjw s LEU 460 N -2.29 4.29 -0.01 2.53 2.96 -1.26 -2.19 118.68 122.71 3mjw s LEU 460 Ca -0.03 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 3mjw s LEU 460 Cb 0.01 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3mjw s LEU 460 CO -0.06 -0.31 -0.00 0.18 -1.32 0.00 0.00 176.35 174.84 3mjw n LEU 461 N 4.43 1.13 -3.83 -0.68 4.77 -0.33 -4.73 117.00 117.75 3mjw n LEU 461 Ca 0.05 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3mjw n LEU 461 Cb 0.50 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 3mjw n LEU 461 CO 0.50 0.21 -0.22 -0.31 -1.33 0.00 0.00 177.39 176.24 3mjw s TYR 462 N -2.02 -0.14 0.04 -1.77 2.02 -1.22 -2.49 117.35 111.77 3mjw s TYR 462 Ca -0.01 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 3mjw s TYR 462 Cb 0.00 0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.59 3mjw s TYR 462 CO 0.03 -0.07 -0.06 1.52 -1.57 0.00 0.00 175.55 175.40 3mjw s TYR 463 N 0.04 0.56 -0.21 2.71 -0.85 -0.65 -1.17 117.35 117.78 3mjw s TYR 463 Ca -0.00 -0.54 -0.26 0.00 -0.52 0.00 0.00 57.07 55.74 3mjw s TYR 463 Cb -0.01 -0.35 0.07 0.00 0.38 0.00 0.00 41.96 42.05 3mjw s TYR 463 CO 0.00 -0.13 0.70 0.54 -1.52 0.00 0.00 175.55 175.15 3mjw s VAL 464 N -1.57 0.00 0.32 -3.49 0.11 -0.59 -1.90 120.40 113.28 3mjw s VAL 464 Ca -0.10 -0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.04 3mjw s VAL 464 Cb -0.09 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 3mjw s VAL 464 CO -0.01 -0.00 -0.00 0.20 -3.33 0.00 0.00 175.10 171.96 3mjw s ASN 465 N -0.01 4.24 -0.28 3.54 0.01 -1.26 -1.21 114.94 119.98 3mjw s ASN 465 Ca -0.03 -0.91 -0.01 0.00 -0.71 0.00 0.00 52.86 51.20 3mjw s ASN 465 Cb -0.04 -0.59 0.17 0.00 0.41 0.00 0.00 41.25 41.20 3mjw s ASN 465 CO 0.03 -0.17 0.51 -0.22 -1.51 0.00 0.00 177.10 175.74 3mjw s LEU 466 N -3.70 -1.09 -0.25 0.60 2.96 -0.98 -4.78 118.68 111.45 3mjw s LEU 466 Ca 0.34 0.59 -0.32 0.00 -0.22 0.00 0.00 54.13 54.51 3mjw s LEU 466 Cb -0.02 1.73 -0.09 0.00 0.50 0.00 0.00 46.19 48.31 3mjw s LEU 466 CO 0.19 -0.28 2.16 0.18 -1.32 0.00 0.00 176.35 177.28 3mjw n LEU 467 N 5.40 2.84 -0.25 -0.68 4.77 -1.26 -1.37 117.00 126.45 3mjw n LEU 467 Ca -0.02 0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 3mjw n LEU 467 Cb 0.51 -1.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.29 3mjw n LEU 467 CO 0.04 -0.60 1.12 -0.07 -1.33 0.00 0.00 177.39 176.56 3mjw h LEU 468 N 13.03 0.65 -8.84 2.23 3.38 -1.60 -3.39 115.31 120.77 3mjw h LEU 468 Ca -0.37 0.02 -0.64 0.00 0.09 0.00 0.00 57.88 56.99 3mjw h LEU 468 Cb 1.28 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 3mjw h LEU 468 CO 0.98 0.42 -0.64 -0.63 0.09 0.00 0.00 178.44 178.66 3mjw s ILE 469 N -6.09 4.10 0.51 1.22 1.01 -1.26 -0.85 121.20 119.84 3mjw s ILE 469 Ca -0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3mjw s ILE 469 Cb 0.16 -2.83 0.12 0.00 0.01 0.00 0.00 42.46 39.92 3mjw s ILE 469 CO 0.77 0.46 0.70 -0.90 0.00 0.00 0.00 174.94 175.97 3mjw n ASP 470 N 3.80 0.18 0.00 3.58 5.75 -0.42 -4.58 116.55 124.85 3mjw n ASP 470 Ca -0.17 -1.33 0.08 0.00 -0.01 0.00 0.00 54.79 53.36 3mjw n ASP 470 Cb 0.52 -0.52 0.37 0.00 -1.03 0.00 0.00 41.12 40.46 3mjw n ASP 470 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mjw n HIS 471 N -2.87 0.00 -1.54 2.11 1.44 -1.26 -2.45 115.22 110.66 3mjw n HIS 471 Ca 0.09 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.87 3mjw n HIS 471 Cb 0.32 -0.37 0.16 0.00 0.12 0.00 0.00 29.99 30.21 3mjw n HIS 471 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3mjw n ARG 472 N -1.37 1.24 -0.97 -1.40 1.85 -1.26 -4.98 116.66 109.77 3mjw n ARG 472 Ca 0.06 -2.80 0.00 0.00 -1.00 0.00 0.00 57.85 54.11 3mjw n ARG 472 Cb 0.15 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 3mjw n ARG 472 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3mjw n PHE 473 N -1.00 0.00 -3.07 2.89 3.01 -1.02 -5.01 117.46 113.26 3mjw n PHE 473 Ca 0.16 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.25 3mjw n PHE 473 Cb 0.72 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 3mjw n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3mjw s LEU 474 N 0.00 4.40 -0.15 4.37 1.43 -1.26 -4.84 118.68 122.63 3mjw s LEU 474 Ca 0.00 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.28 3mjw s LEU 474 Cb 0.00 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 3mjw s LEU 474 CO 0.00 0.08 1.22 -0.22 0.23 0.00 0.00 176.35 177.66 3mjw s LEU 475 N -1.76 4.19 0.31 1.79 2.96 -1.26 -1.30 118.68 123.60 3mjw s LEU 475 Ca 0.41 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 3mjw s LEU 475 Cb -0.18 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3mjw s LEU 475 CO 0.22 -0.71 1.50 -1.14 -1.32 0.00 0.00 176.35 174.89 3mjw n ARG 476 N 6.28 2.50 -3.67 1.98 0.63 -0.03 -4.96 116.66 119.38 3mjw n ARG 476 Ca 0.13 0.89 -0.12 0.00 -0.92 0.00 0.00 57.85 57.83 3mjw n ARG 476 Cb 0.45 -2.61 -0.12 0.00 0.45 0.00 0.00 32.46 30.64 3mjw n ARG 476 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3mjw s ARG 477 N -1.06 0.22 0.00 -0.14 3.52 -1.26 -4.75 118.95 115.48 3mjw s ARG 477 Ca 0.61 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 3mjw s ARG 477 Cb -0.53 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.90 3mjw s ARG 477 CO 0.54 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 3mjw n GLY 478 N 5.09 0.62 3.74 8.12 0.00 0.46 -4.96 105.19 118.26 3mjw n GLY 478 Ca -0.11 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3mjw n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mjw s GLU 479 N -2.00 3.94 -0.06 1.61 0.41 -1.26 -0.37 118.70 120.97 3mjw s GLU 479 Ca 0.00 -0.24 -0.00 0.00 -0.41 0.00 0.00 54.97 54.32 3mjw s GLU 479 Cb 0.00 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.07 3mjw s GLU 479 CO 0.00 0.41 -0.03 0.71 -0.49 0.00 0.00 175.26 175.86 3mjw s TYR 480 N 0.02 0.81 -0.35 1.61 1.51 -1.09 -5.03 117.35 114.83 3mjw s TYR 480 Ca 0.09 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 3mjw s TYR 480 Cb -0.12 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 3mjw s TYR 480 CO -0.00 -0.29 0.16 0.08 -1.11 0.00 0.00 175.55 174.39 3mjw s VAL 481 N 1.44 4.27 -0.19 0.71 1.01 -1.26 -2.29 120.40 124.08 3mjw s VAL 481 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3mjw s VAL 481 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3mjw s VAL 481 CO -0.03 -0.16 -0.12 -0.76 0.00 0.00 0.00 175.10 174.03 3mjw s LEU 482 N 1.51 2.56 -0.14 3.92 1.43 0.51 -4.91 118.68 123.56 3mjw s LEU 482 Ca 0.01 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 3mjw s LEU 482 Cb -0.19 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3mjw s LEU 482 CO 0.05 0.01 0.66 -1.00 0.23 0.00 0.00 176.35 176.31 3mjw s HIS 483 N 1.24 3.47 0.59 0.29 3.76 -1.26 -0.91 115.29 122.47 3mjw s HIS 483 Ca 0.03 1.08 0.03 0.00 -0.15 0.00 0.00 55.06 56.05 3mjw s HIS 483 Cb -0.14 -2.80 0.07 0.00 1.11 0.00 0.00 32.58 30.82 3mjw s HIS 483 CO -0.05 -0.05 0.81 -1.64 -0.85 0.00 0.00 174.74 172.96 3mjw s MET 484 N 1.39 2.29 -0.03 1.40 1.00 -0.35 -2.23 119.30 122.77 3mjw s MET 484 Ca 0.33 -1.09 -0.01 0.00 0.00 0.00 0.00 55.69 54.92 3mjw s MET 484 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 34.83 32.12 3mjw s MET 484 CO 0.13 -0.89 0.07 -1.58 0.00 0.00 0.00 175.02 172.75 3mjw s TRP 485 N -2.80 3.29 0.23 -0.03 0.52 -0.80 -4.51 118.94 114.84 3mjw s TRP 485 Ca 0.60 0.23 0.05 0.00 0.02 0.00 0.00 56.10 57.00 3mjw s TRP 485 Cb -0.08 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3mjw s TRP 485 CO 0.39 0.55 0.30 1.14 0.02 0.00 0.00 176.95 179.35 3mjw s GLN 486 N -1.55 3.28 0.00 4.98 -2.07 -1.26 -1.63 119.66 121.40 3mjw s GLN 486 Ca 0.21 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.93 3mjw s GLN 486 Cb -0.12 -2.80 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 3mjw s GLN 486 CO 0.11 0.44 0.00 -0.89 -1.32 0.00 0.00 175.29 173.63 3mjw n ILE 487 N -1.18 0.00 -0.18 3.63 2.08 -1.04 -4.98 119.36 117.68 3mjw n ILE 487 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 3mjw n ILE 487 Cb 0.57 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 3mjw n ILE 487 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3mjw n SER 488 N -1.10 0.00 0.00 4.38 3.41 -1.26 -5.09 113.62 113.95 3mjw n SER 488 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mjw n SER 488 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mjw n SER 488 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3mjw n PHE 497 N 0.00 0.00 -4.52 7.33 3.72 -1.26 -5.00 117.46 117.73 3mjw n PHE 497 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 3mjw n PHE 497 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 3mjw n PHE 497 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mjw s ASN 498 N -2.14 2.83 0.39 4.37 4.22 -1.26 -4.30 114.94 119.04 3mjw s ASN 498 Ca 0.00 -1.67 0.11 0.00 -2.14 0.00 0.00 52.86 49.17 3mjw s ASN 498 Cb 0.00 0.49 0.78 0.00 1.28 0.00 0.00 41.25 43.80 3mjw s ASN 498 CO 0.00 -0.92 1.88 0.00 -2.04 0.00 0.00 177.10 176.02 3mjw h ALA 499 N 1.78 1.47 0.00 3.54 0.00 -1.48 -2.91 119.26 121.66 3mjw h ALA 499 Ca -0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3mjw h ALA 499 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mjw h ALA 499 CO 0.58 0.38 0.00 -0.44 0.00 0.00 0.00 179.25 179.77 3mjw h ASP 500 N 0.11 0.00 -0.07 0.00 5.19 -1.93 -3.11 116.42 116.62 3mjw h ASP 500 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3mjw h ASP 500 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3mjw h ASP 500 CO 0.03 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.44 3mjw n LYS 501 N -2.54 1.48 -0.54 3.56 5.02 -1.10 -3.73 118.16 120.32 3mjw n LYS 501 Ca -0.00 -0.72 0.06 0.00 -2.02 0.00 0.00 58.31 55.64 3mjw n LYS 501 Cb 0.15 -1.42 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 3mjw n LYS 501 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3mjw n LEU 502 N -0.10 2.16 -4.78 -0.35 -0.00 -1.17 -4.93 117.00 107.82 3mjw n LEU 502 Ca 0.18 -3.17 -0.39 0.00 -0.00 0.00 0.00 56.01 52.63 3mjw n LEU 502 Cb 0.26 -0.39 -0.06 0.00 -0.00 0.00 0.00 43.42 43.24 3mjw n LEU 502 CO 0.14 0.98 0.39 0.28 -0.00 0.00 0.00 177.39 179.19 3mjw s THR 503 N -2.45 4.58 -2.06 1.47 -1.32 -1.24 -4.95 115.64 109.67 3mjw s THR 503 Ca 0.32 1.49 0.16 0.00 -1.21 0.00 0.00 61.69 62.45 3mjw s THR 503 Cb 0.31 -4.04 0.41 0.00 -1.51 0.00 0.00 72.50 67.68 3mjw s THR 503 CO -0.05 0.51 1.53 -1.54 -2.21 0.00 0.00 174.62 172.86 3mjw n SER 504 N 1.88 0.51 -4.87 8.08 3.41 -1.26 -4.01 113.62 117.36 3mjw n SER 504 Ca -0.07 -1.62 -0.34 0.00 -0.26 0.00 0.00 58.87 56.59 3mjw n SER 504 Cb 0.50 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 3mjw n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mjw s ALA 505 N -1.92 3.65 0.03 7.33 0.00 -1.26 -4.89 121.76 124.69 3mjw s ALA 505 Ca 0.24 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3mjw s ALA 505 Cb 0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3mjw s ALA 505 CO 0.19 0.53 -0.02 0.95 0.00 0.00 0.00 175.76 177.41 3mjw s THR 506 N -1.57 3.93 -0.06 0.00 -4.23 -1.26 -4.77 115.64 107.68 3mjw s THR 506 Ca 0.40 -0.77 -0.37 0.00 -1.18 0.00 0.00 61.69 59.77 3mjw s THR 506 Cb -0.13 -2.77 -0.15 0.00 1.34 0.00 0.00 72.50 70.79 3mjw s THR 506 CO 0.20 0.31 1.61 -3.20 -0.54 0.00 0.00 174.62 173.00 3mjw n ASN 507 N 1.23 2.43 -0.08 3.99 2.85 -0.95 -4.85 115.26 119.89 3mjw n ASN 507 Ca -0.14 1.07 0.14 0.00 -0.11 0.00 0.00 54.58 55.55 3mjw n ASN 507 Cb 0.52 -1.24 0.67 0.00 1.24 0.00 0.00 39.78 40.97 3mjw n ASN 507 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3mjw n PRO 508 N 4.34 0.63 -2.52 1.20 -0.05 -1.26 -4.48 135.00 132.87 3mjw n PRO 508 Ca 0.22 -0.16 -0.43 0.00 -0.05 0.00 0.00 63.50 63.08 3mjw n PRO 508 Cb 0.20 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.16 3mjw n PRO 508 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3mjw n ASP 509 N -1.05 4.96 0.04 3.54 2.03 -1.26 -4.78 116.55 120.04 3mjw n ASP 509 Ca 0.15 -3.00 0.02 0.00 0.52 0.00 0.00 54.79 52.48 3mjw n ASP 509 Cb 0.26 -1.57 0.39 0.00 -0.72 0.00 0.00 41.12 39.47 3mjw n ASP 509 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3mjw h LYS 510 N 6.54 0.44 -0.09 -0.67 6.56 -1.92 -1.56 116.57 125.87 3mjw h LYS 510 Ca 0.40 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.92 3mjw h LYS 510 Cb 0.75 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 3mjw h LYS 510 CO 1.50 0.41 0.04 0.93 -2.06 0.00 0.00 179.45 180.26 3mjw h GLU 511 N 0.44 0.11 0.00 3.15 4.39 -1.98 -3.33 114.58 117.36 3mjw h GLU 511 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3mjw h GLU 511 Cb 0.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3mjw h GLU 511 CO -0.00 0.10 -0.95 0.09 -1.16 0.00 0.00 179.01 177.08 3mjw n ASN 512 N -4.50 4.59 -4.76 1.42 4.13 -1.17 -4.90 115.26 110.07 3mjw n ASN 512 Ca -0.02 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.91 3mjw n ASN 512 Cb 0.10 0.40 0.05 0.00 -1.54 0.00 0.00 39.78 38.80 3mjw n ASN 512 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3mjw s SER 513 N -3.06 4.93 0.59 6.41 1.04 -0.60 -4.60 113.70 118.41 3mjw s SER 513 Ca 0.00 2.11 -0.19 0.00 0.48 0.00 0.00 55.95 58.35 3mjw s SER 513 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3mjw s SER 513 CO 0.00 -1.75 1.17 -0.32 0.98 0.00 0.00 173.24 173.32 3mjw s MET 514 N -3.97 3.06 0.42 4.02 1.75 -1.26 -4.63 119.30 118.69 3mjw s MET 514 Ca 0.69 1.72 0.07 0.00 -1.25 0.00 0.00 55.69 56.92 3mjw s MET 514 Cb -0.23 -1.95 -0.07 0.00 2.84 0.00 0.00 34.83 35.41 3mjw s MET 514 CO 0.41 -1.11 0.03 0.45 -0.65 0.00 0.00 175.02 174.15 3mjw s SER 515 N -1.74 3.95 -0.22 1.11 0.15 -0.06 -1.21 113.70 115.67 3mjw s SER 515 Ca 0.75 -1.36 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 3mjw s SER 515 Cb -0.27 -0.34 0.06 0.00 -1.71 0.00 0.00 66.02 63.76 3mjw s SER 515 CO 0.32 -0.49 0.57 -0.51 1.20 0.00 0.00 173.24 174.33 3mjw s ILE 516 N -2.71 -0.00 -0.01 6.45 -1.16 -0.09 -2.52 121.20 121.16 3mjw s ILE 516 Ca 0.34 0.02 0.06 0.00 -0.51 0.00 0.00 60.65 60.55 3mjw s ILE 516 Cb 0.09 -0.81 -0.03 0.00 0.61 0.00 0.00 42.46 42.32 3mjw s ILE 516 CO 0.17 0.01 -0.19 -0.44 -2.81 0.00 0.00 174.94 171.68 3mjw s SER 517 N 0.76 3.65 0.16 4.50 0.01 -0.84 -0.36 113.70 121.58 3mjw s SER 517 Ca -0.04 -0.36 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 3mjw s SER 517 Cb -0.05 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 3mjw s SER 517 CO -0.06 0.31 0.33 0.27 0.41 0.00 0.00 173.24 174.50 3mjw s ILE 518 N -0.75 0.06 -0.07 1.44 -4.36 -0.97 -1.21 121.20 115.33 3mjw s ILE 518 Ca 0.12 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 3mjw s ILE 518 Cb -0.10 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.88 3mjw s ILE 518 CO 0.01 -0.29 -0.11 -0.22 0.24 0.00 0.00 174.94 174.57 3mjw s LEU 519 N -2.94 1.58 -0.34 0.37 2.96 -0.46 -2.69 118.68 117.17 3mjw s LEU 519 Ca 0.14 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3mjw s LEU 519 Cb 0.03 -0.81 0.06 0.00 0.50 0.00 0.00 46.19 45.97 3mjw s LEU 519 CO -0.02 0.01 0.08 -0.76 -1.32 0.00 0.00 176.35 174.35 3mjw s LEU 520 N 0.78 4.37 -0.45 -0.68 1.02 0.50 -2.64 118.68 121.59 3mjw s LEU 520 Ca -0.12 -1.42 0.09 0.00 0.02 0.00 0.00 54.13 52.69 3mjw s LEU 520 Cb -0.15 -1.79 0.39 0.00 0.02 0.00 0.00 46.19 44.65 3mjw s LEU 520 CO 0.02 -0.35 0.96 -0.67 0.02 0.00 0.00 176.35 176.32 3mjw n ASP 521 N 4.68 3.29 0.00 2.29 -0.08 -1.26 -0.40 116.55 125.06 3mjw n ASP 521 Ca -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.79 3mjw n ASP 521 Cb 0.43 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.36 3mjw n ASP 521 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3mjw n ASN 522 N -0.18 0.02 0.00 1.67 3.02 -1.26 -5.06 115.26 113.47 3mjw n ASN 522 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3mjw n ASN 522 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3mjw n ASN 522 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mjw n ARG 544 N 0.00 1.49 -3.83 3.52 5.12 -1.26 -5.11 116.66 116.59 3mjw n ARG 544 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 3mjw n ARG 544 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 3mjw n ARG 544 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mjw s ALA 545 N -2.00 -1.29 0.52 7.54 0.00 -1.26 -5.18 121.76 120.10 3mjw s ALA 545 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3mjw s ALA 545 Cb 0.00 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3mjw s ALA 545 CO 0.00 -1.03 0.74 -1.83 0.00 0.00 0.00 175.76 173.63 3mjw s GLU 546 N -3.83 2.61 -0.03 0.00 -1.05 -1.26 -5.12 118.70 110.02 3mjw s GLU 546 Ca 0.11 -0.85 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 3mjw s GLU 546 Cb -0.05 -2.54 -0.00 0.00 -0.44 0.00 0.00 34.13 31.10 3mjw s GLU 546 CO 0.06 -0.62 -0.15 1.41 0.95 0.00 0.00 175.26 176.91 3mjw s MET 547 N -4.68 1.48 0.48 -4.83 1.75 -1.26 -5.12 119.30 107.12 3mjw s MET 547 Ca 0.56 -0.52 -0.24 0.00 -1.25 0.00 0.00 55.69 54.25 3mjw s MET 547 Cb -0.10 -1.33 -0.07 0.00 2.84 0.00 0.00 34.83 36.17 3mjw s MET 547 CO 0.37 0.22 1.38 -2.14 -0.65 0.00 0.00 175.02 174.20 3mjw s PRO 548 N 0.02 3.53 0.08 4.11 0.02 -1.26 -4.84 135.00 136.66 3mjw s PRO 548 Ca -0.02 2.29 -0.20 0.00 0.02 0.00 0.00 61.00 63.09 3mjw s PRO 548 Cb -0.10 -2.52 -0.07 0.00 0.02 0.00 0.00 34.50 31.83 3mjw s PRO 548 CO 0.01 -0.90 1.33 -0.97 -0.33 0.00 0.00 177.00 176.15 3mjw h ASN 549 N 2.05 -1.11 -0.75 2.53 -0.73 -2.00 -1.78 115.58 113.79 3mjw h ASN 549 Ca -0.51 0.14 0.14 0.00 1.87 0.00 0.00 56.30 57.95 3mjw h ASN 549 Cb 1.27 0.45 -0.05 0.00 0.27 0.00 0.00 38.32 40.26 3mjw h ASN 549 CO 0.60 -0.27 0.50 -0.61 -0.37 0.00 0.00 177.43 177.28 3mjw h GLN 550 N -0.29 0.42 -0.15 6.67 5.75 -1.99 -1.46 115.11 124.05 3mjw h GLN 550 Ca 0.03 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 3mjw h GLN 550 Cb 0.38 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3mjw h GLN 550 CO -0.33 0.28 -0.35 -0.07 -2.65 0.00 0.00 178.83 175.71 3mjw h LEU 551 N 0.43 0.58 -0.84 -2.39 3.38 -1.82 -2.12 115.31 112.52 3mjw h LEU 551 Ca 0.36 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3mjw h LEU 551 Cb 0.81 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3mjw h LEU 551 CO -0.12 1.04 0.50 -0.09 0.09 0.00 0.00 178.44 179.86 3mjw h ARG 552 N 0.14 0.85 -0.59 1.13 2.43 -0.65 0.24 114.38 117.93 3mjw h ARG 552 Ca -0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3mjw h ARG 552 Cb 0.96 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 3mjw h ARG 552 CO 0.08 0.56 0.35 0.87 -1.51 0.00 0.00 179.97 180.32 3mjw h LYS 553 N 0.88 0.67 -0.23 0.20 1.79 -1.18 0.54 116.57 119.24 3mjw h LYS 553 Ca 0.38 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.68 3mjw h LYS 553 Cb 0.26 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3mjw h LYS 553 CO -0.21 0.44 -0.41 0.37 -1.08 0.00 0.00 179.45 178.56 3mjw h GLN 554 N 0.69 0.54 -0.55 3.15 5.75 -0.65 -2.07 115.11 121.97 3mjw h GLN 554 Ca 0.24 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3mjw h GLN 554 Cb 0.05 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3mjw h GLN 554 CO -0.11 0.86 -0.00 1.25 -2.65 0.00 0.00 178.83 178.17 3mjw h LEU 555 N 0.44 0.95 -0.67 -2.39 5.85 -0.55 -2.79 115.31 116.16 3mjw h LEU 555 Ca 0.04 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3mjw h LEU 555 Cb 0.91 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3mjw h LEU 555 CO 0.08 1.03 0.00 -0.33 -0.34 0.00 0.00 178.44 178.88 3mjw h GLU 556 N 0.85 0.00 0.04 1.25 5.08 -0.70 -2.49 114.58 118.60 3mjw h GLU 556 Ca 0.15 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.26 3mjw h GLU 556 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3mjw h GLU 556 CO 0.03 0.00 -1.28 0.00 -1.00 0.00 0.00 179.01 176.76 3mjw h ALA 557 N 2.25 0.40 -0.21 3.43 0.00 -1.19 -3.20 119.26 120.74 3mjw h ALA 557 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 54.91 53.69 3mjw h ALA 557 Cb 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mjw h ALA 557 CO 0.00 1.27 -0.52 0.82 0.00 0.00 0.00 179.25 180.82 3mjw h ILE 558 N 0.02 1.31 0.00 0.00 2.04 -1.21 -3.08 117.51 116.59 3mjw h ILE 558 Ca -0.13 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 63.98 3mjw h ILE 558 Cb 1.89 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 3mjw h ILE 558 CO 0.13 0.55 0.00 -0.38 0.00 0.00 0.00 178.15 178.45 3mjw n ILE 559 N -3.98 0.39 -0.01 -0.67 5.41 -0.97 -3.35 119.36 116.18 3mjw n ILE 559 Ca -0.03 -0.02 -0.06 0.00 1.00 0.00 0.00 62.75 63.64 3mjw n ILE 559 Cb 0.59 -0.65 -0.12 0.00 -0.71 0.00 0.00 39.64 38.74 3mjw n ILE 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mjw n ALA 560 N -1.60 1.64 -0.62 -1.39 0.00 -1.17 -4.80 120.51 112.57 3mjw n ALA 560 Ca 0.06 -0.73 -0.30 0.00 0.00 0.00 0.00 53.44 52.47 3mjw n ALA 560 Cb 0.33 -0.85 0.19 0.00 0.00 0.00 0.00 19.45 19.13 3mjw n ALA 560 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mjw n THR 561 N -2.98 0.00 -1.10 0.00 -2.24 -1.21 -4.99 114.28 101.77 3mjw n THR 561 Ca -0.15 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 3mjw n THR 561 Cb 0.99 -0.96 0.15 0.00 -2.10 0.00 0.00 70.33 68.40 3mjw n THR 561 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mjw s ASP 562 N -2.51 3.32 0.00 3.42 1.47 -1.26 -4.92 116.67 116.20 3mjw s ASP 562 Ca 0.67 1.61 0.15 0.00 1.18 0.00 0.00 52.55 56.15 3mjw s ASP 562 Cb -0.23 -2.27 0.67 0.00 -0.34 0.00 0.00 42.92 40.74 3mjw s ASP 562 CO 0.61 -2.75 1.46 -2.65 0.68 0.00 0.00 175.17 172.52 3mjw n PRO 563 N -3.97 0.07 0.00 2.11 -0.02 -1.26 -2.09 135.00 129.84 3mjw n PRO 563 Ca 0.07 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3mjw n PRO 563 Cb 0.54 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.55 3mjw n PRO 563 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3mjw n LEU 564 N -1.44 2.10 -4.62 2.45 4.77 -1.26 -4.92 117.00 114.08 3mjw n LEU 564 Ca 0.05 -0.84 -0.43 0.00 -0.03 0.00 0.00 56.01 54.75 3mjw n LEU 564 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3mjw n LEU 564 CO 0.13 0.38 1.30 0.21 -1.33 0.00 0.00 177.39 178.09 3mjw s ASN 565 N -1.99 6.39 0.52 -1.43 2.47 -0.89 -4.97 114.94 115.03 3mjw s ASN 565 Ca 0.18 1.33 -0.23 0.00 0.42 0.00 0.00 52.86 54.57 3mjw s ASN 565 Cb 0.16 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.36 3mjw s ASN 565 CO 0.40 -1.30 1.37 -2.84 -3.72 0.00 0.00 177.10 171.02 3mjw s PRO 566 N 4.71 3.32 -0.23 0.43 0.02 -1.26 -4.96 135.00 137.03 3mjw s PRO 566 Ca 0.67 2.27 -0.14 0.00 0.02 0.00 0.00 61.00 63.82 3mjw s PRO 566 Cb -0.20 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3mjw s PRO 566 CO 0.29 -1.06 0.34 -0.51 -0.33 0.00 0.00 177.00 175.72 3mjw s LEU 567 N -3.27 4.11 0.52 -5.54 1.43 -1.26 -5.07 118.68 109.59 3mjw s LEU 567 Ca 0.68 0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.94 3mjw s LEU 567 Cb -0.41 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 3mjw s LEU 567 CO 0.50 -0.08 1.12 -0.89 0.23 0.00 0.00 176.35 177.22 3mjw s THR 568 N 1.50 3.28 0.27 5.49 2.01 -1.26 -4.82 115.64 122.11 3mjw s THR 568 Ca 0.15 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 62.97 3mjw s THR 568 Cb -0.15 -3.34 0.27 0.00 0.01 0.00 0.00 72.50 69.29 3mjw s THR 568 CO 0.08 -0.15 1.68 0.00 -0.69 0.00 0.00 174.62 175.54 3mjw h ALA 569 N 1.39 1.21 0.04 7.40 0.00 -1.99 0.14 119.26 127.44 3mjw h ALA 569 Ca -0.50 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mjw h ALA 569 Cb 1.25 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3mjw h ALA 569 CO 0.58 -0.35 -0.18 1.49 0.00 0.00 0.00 179.25 180.78 3mjw h GLU 570 N 0.32 -0.31 -0.13 0.00 4.22 -1.99 -1.58 114.58 115.11 3mjw h GLU 570 Ca 0.50 0.02 0.04 0.00 0.08 0.00 0.00 59.36 60.00 3mjw h GLU 570 Cb 0.91 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 3mjw h GLU 570 CO -0.54 -0.20 -0.42 -0.44 -2.18 0.00 0.00 179.01 175.22 3mjw h ASP 571 N -0.32 -1.33 -0.40 1.04 3.32 -1.22 -1.41 116.42 116.11 3mjw h ASP 571 Ca 0.04 0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.35 3mjw h ASP 571 Cb 0.37 0.54 -0.08 0.00 0.22 0.00 0.00 39.33 40.38 3mjw h ASP 571 CO -0.15 -0.43 -0.11 0.11 -1.72 0.00 0.00 179.24 176.95 3mjw h LYS 572 N -0.50 -0.01 0.00 3.56 1.57 -0.53 0.13 116.57 120.79 3mjw h LYS 572 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3mjw h LYS 572 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3mjw h LYS 572 CO -0.40 -0.01 -0.14 0.93 -0.57 0.00 0.00 179.45 179.27 3mjw h GLU 573 N -0.01 0.00 -0.12 3.15 5.08 -1.08 -0.92 114.58 120.67 3mjw h GLU 573 Ca 0.19 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3mjw h GLU 573 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3mjw h GLU 573 CO -0.42 0.14 -0.45 1.25 -1.00 0.00 0.00 179.01 178.53 3mjw h LEU 574 N 0.00 0.61 0.23 1.33 6.46 0.19 -1.91 115.31 122.22 3mjw h LEU 574 Ca -0.00 -0.62 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 3mjw h LEU 574 Cb 0.25 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3mjw h LEU 574 CO 0.02 1.12 -0.22 -0.07 -0.62 0.00 0.00 178.44 178.67 3mjw h LEU 575 N 0.13 -0.57 -1.22 2.25 -0.00 -0.39 -2.99 115.31 112.53 3mjw h LEU 575 Ca -0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 3mjw h LEU 575 Cb 1.08 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 3mjw h LEU 575 CO 0.09 -0.32 -0.28 -0.25 -0.00 0.00 0.00 178.44 177.68 3mjw h TRP 576 N -0.47 0.00 -0.08 1.13 2.91 -1.21 -2.34 115.95 115.88 3mjw h TRP 576 Ca -0.01 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.84 3mjw h TRP 576 Cb 0.44 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 3mjw h TRP 576 CO -0.15 0.28 -0.67 1.25 -1.03 0.00 0.00 178.44 178.12 3mjw h HIS 577 N 0.00 0.48 -2.42 2.65 2.76 -1.34 -3.31 115.15 113.97 3mjw h HIS 577 Ca -0.00 -0.20 -0.67 0.00 -2.20 0.00 0.00 60.37 57.30 3mjw h HIS 577 Cb 0.72 -0.08 -0.37 0.00 1.55 0.00 0.00 27.41 29.23 3mjw h HIS 577 CO 0.00 0.93 -0.13 1.19 -1.30 0.00 0.00 177.93 178.61 3mjw n PHE 578 N -3.85 3.22 0.08 5.26 3.01 -0.90 -4.84 117.46 119.42 3mjw n PHE 578 Ca -0.03 -3.63 -0.13 0.00 1.01 0.00 0.00 57.45 54.67 3mjw n PHE 578 Cb 0.67 -0.78 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 3mjw n PHE 578 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mjw h ARG 579 N 4.51 0.33 0.00 -1.08 3.08 -1.60 -3.03 114.38 116.58 3mjw h ARG 579 Ca 0.20 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3mjw h ARG 579 Cb 0.63 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3mjw h ARG 579 CO 1.00 1.09 0.00 1.88 -1.07 0.00 0.00 179.97 182.87 3mjw h TYR 580 N 0.17 0.00 0.00 3.04 -1.99 -1.89 0.61 116.97 116.91 3mjw h TYR 580 Ca -0.08 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 3mjw h TYR 580 Cb 1.64 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.36 3mjw h TYR 580 CO 0.05 0.00 -1.22 -1.91 -0.00 0.00 0.00 178.16 175.08 3mjw n GLU 581 N -2.48 0.62 0.06 4.88 4.07 -1.24 -3.78 120.64 122.77 3mjw n GLU 581 Ca 0.04 0.08 -0.03 0.00 -0.06 0.00 0.00 57.16 57.19 3mjw n GLU 581 Cb 0.41 -1.77 -0.08 0.00 -0.06 0.00 0.00 31.44 29.94 3mjw n GLU 581 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3mjw h SER 582 N 0.00 0.00 0.83 4.31 0.02 -1.32 -3.27 113.55 114.12 3mjw h SER 582 Ca -0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3mjw h SER 582 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3mjw h SER 582 CO 0.01 0.78 -0.20 0.25 -1.14 0.00 0.00 176.83 176.53 3mjw h LEU 583 N 0.00 0.00 -1.72 5.07 6.46 -1.00 -1.58 115.31 122.54 3mjw h LEU 583 Ca -0.09 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.78 3mjw h LEU 583 Cb 1.67 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.57 3mjw h LEU 583 CO 0.09 0.20 0.39 0.11 -0.62 0.00 0.00 178.44 178.61 3mjw h LYS 584 N 0.00 0.30 -4.85 1.25 6.56 -1.65 -3.40 116.57 114.79 3mjw h LYS 584 Ca -0.00 -0.02 -0.67 0.00 -1.06 0.00 0.00 60.65 58.90 3mjw h LYS 584 Cb 0.67 -0.07 -0.27 0.00 -0.57 0.00 0.00 32.23 31.99 3mjw h LYS 584 CO 0.03 0.20 -0.65 -1.01 -2.06 0.00 0.00 179.45 175.96 3mjw s HIS 585 N -5.30 3.12 0.37 -1.35 3.76 -0.59 -4.96 115.29 110.33 3mjw s HIS 585 Ca -0.07 -1.03 0.09 0.00 -0.15 0.00 0.00 55.06 53.90 3mjw s HIS 585 Cb 0.20 -2.21 0.72 0.00 1.11 0.00 0.00 32.58 32.40 3mjw s HIS 585 CO 0.74 -0.58 1.88 -1.35 -0.85 0.00 0.00 174.74 174.58 3mjw h PRO 586 N 8.19 0.24 0.00 8.40 0.11 -1.79 -2.62 132.00 144.52 3mjw h PRO 586 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mjw h PRO 586 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mjw h PRO 586 CO 0.60 0.42 0.00 1.63 -0.21 0.00 0.00 178.00 180.44 3mjw n LYS 587 N -4.23 0.69 -0.09 1.05 5.02 -1.26 -2.18 118.16 117.16 3mjw n LYS 587 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 3mjw n LYS 587 Cb 0.31 -1.43 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 3mjw n LYS 587 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mjw n ALA 588 N -0.93 2.40 0.05 7.82 0.00 -0.99 -4.66 120.51 124.21 3mjw n ALA 588 Ca 0.14 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 3mjw n ALA 588 Cb 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 3mjw n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3mjw h TYR 589 N 3.08 -0.13 -0.57 0.00 -1.99 -1.58 -1.15 116.97 114.64 3mjw h TYR 589 Ca 0.00 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.84 3mjw h TYR 589 Cb 0.73 0.04 -0.11 0.00 2.00 0.00 0.00 36.73 39.39 3mjw h TYR 589 CO 0.12 0.24 -0.16 -1.35 -0.00 0.00 0.00 178.16 177.01 3mjw h PRO 590 N -0.51 -0.01 -0.08 4.88 0.11 -1.83 -0.73 132.00 133.82 3mjw h PRO 590 Ca -0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3mjw h PRO 590 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3mjw h PRO 590 CO 0.02 -0.01 -0.41 0.87 -0.21 0.00 0.00 178.00 178.27 3mjw h LYS 591 N -0.01 0.18 -0.25 1.05 1.79 -1.87 -2.39 116.57 115.07 3mjw h LYS 591 Ca 0.27 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 3mjw h LYS 591 Cb 0.43 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3mjw h LYS 591 CO -0.59 0.56 -0.02 1.25 -1.08 0.00 0.00 179.45 179.57 3mjw h LEU 592 N 0.15 0.46 0.00 2.94 5.85 0.15 -2.37 115.31 122.49 3mjw h LEU 592 Ca 0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3mjw h LEU 592 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3mjw h LEU 592 CO 0.06 0.68 -0.36 0.49 -0.34 0.00 0.00 178.44 178.97 3mjw n PHE 593 N -4.60 0.24 1.23 1.25 3.01 -0.59 -2.62 117.46 115.38 3mjw n PHE 593 Ca -0.04 0.07 0.13 0.00 1.01 0.00 0.00 57.45 58.63 3mjw n PHE 593 Cb 0.26 -0.49 0.45 0.00 -0.01 0.00 0.00 39.48 39.70 3mjw n PHE 593 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3mjw n SER 594 N -1.73 0.65 -0.96 4.37 2.88 -0.90 -3.30 113.62 114.62 3mjw n SER 594 Ca 0.05 -0.54 0.09 0.00 -1.33 0.00 0.00 58.87 57.14 3mjw n SER 594 Cb 0.37 0.04 0.22 0.00 -0.75 0.00 0.00 64.21 64.09 3mjw n SER 594 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mjw n SER 595 N -1.00 3.31 -4.71 -3.46 3.41 -0.90 -4.96 113.62 105.31 3mjw n SER 595 Ca 0.11 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.37 3mjw n SER 595 Cb 0.32 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3mjw n SER 595 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mjw s VAL 596 N -1.07 5.08 -0.75 -3.33 1.01 -1.21 -4.82 120.40 115.31 3mjw s VAL 596 Ca 0.34 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 3mjw s VAL 596 Cb 0.18 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3mjw s VAL 596 CO 0.24 0.26 1.43 -0.54 0.00 0.00 0.00 175.10 176.49 3mjw s LYS 597 N 0.83 3.11 0.00 2.72 1.02 -1.26 -4.84 119.74 121.32 3mjw s LYS 597 Ca 0.34 -0.18 0.25 0.00 0.02 0.00 0.00 55.97 56.40 3mjw s LYS 597 Cb -0.17 -4.38 1.09 0.00 -0.52 0.00 0.00 37.83 33.84 3mjw s LYS 597 CO 0.16 -2.31 1.81 0.91 -0.92 0.00 0.00 175.35 175.00 3mjw n TRP 598 N 10.12 0.00 0.26 3.18 7.02 -1.26 -3.22 117.44 133.54 3mjw n TRP 598 Ca 0.11 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.62 3mjw n TRP 598 Cb 0.50 -0.49 0.16 0.00 -2.42 0.00 0.00 31.31 29.06 3mjw n TRP 598 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mjw n GLY 599 N 1.09 2.06 2.66 6.99 0.00 -1.26 -4.39 105.19 112.34 3mjw n GLY 599 Ca 0.06 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3mjw n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mjw s GLN 600 N -1.70 0.45 0.28 1.61 -0.21 -1.20 -4.81 119.66 114.08 3mjw s GLN 600 Ca 0.22 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3mjw s GLN 600 Cb 0.17 -1.80 0.67 0.00 1.00 0.00 0.00 33.01 33.05 3mjw s GLN 600 CO 0.07 -0.82 1.45 0.94 -2.12 0.00 0.00 175.29 174.81 3mjw n GLN 601 N 5.10 -0.08 -0.14 2.91 -0.06 -1.26 -0.85 117.38 123.00 3mjw n GLN 601 Ca -0.06 1.40 -0.09 0.00 -2.00 0.00 0.00 57.00 56.24 3mjw n GLN 601 Cb 0.45 -2.20 -0.01 0.00 -4.06 0.00 0.00 30.24 24.42 3mjw n GLN 601 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3mjw h GLU 602 N 0.00 0.63 0.70 3.69 4.39 -1.95 -1.82 114.58 120.23 3mjw h GLU 602 Ca 0.54 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 3mjw h GLU 602 Cb 1.09 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3mjw h GLU 602 CO -0.88 0.64 -0.34 0.82 -1.16 0.00 0.00 179.01 178.09 3mjw h ILE 603 N 0.51 0.31 -0.90 3.13 1.08 -1.29 -2.05 117.51 118.29 3mjw h ILE 603 Ca 0.13 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.82 3mjw h ILE 603 Cb 0.28 0.31 -0.13 0.00 -3.07 0.00 0.00 36.82 34.21 3mjw h ILE 603 CO -0.00 0.00 0.40 0.58 -0.69 0.00 0.00 178.15 178.44 3mjw h VAL 604 N -0.95 0.47 -0.35 1.67 2.07 -1.40 0.26 116.25 118.01 3mjw h VAL 604 Ca -0.10 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3mjw h VAL 604 Cb 0.73 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3mjw h VAL 604 CO 0.16 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.77 3mjw h ALA 605 N 1.72 0.27 -0.70 1.67 0.00 -0.96 -0.82 119.26 120.43 3mjw h ALA 605 Ca 0.57 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.64 3mjw h ALA 605 Cb 1.08 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3mjw h ALA 605 CO -0.53 -0.44 0.42 0.87 0.00 0.00 0.00 179.25 179.57 3mjw h LYS 606 N 0.04 0.78 -0.85 0.00 1.79 0.13 -2.37 116.57 116.09 3mjw h LYS 606 Ca 0.17 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3mjw h LYS 606 Cb 0.25 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 3mjw h LYS 606 CO -0.34 0.52 0.56 1.15 -1.08 0.00 0.00 179.45 180.27 3mjw h THR 607 N 0.81 1.21 0.00 -0.16 2.02 0.15 0.37 112.91 117.31 3mjw h THR 607 Ca 0.30 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 3mjw h THR 607 Cb 0.10 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3mjw h THR 607 CO -0.14 0.21 -0.25 1.88 0.37 0.00 0.00 175.52 177.59 3mjw h TYR 608 N 1.15 0.00 0.00 3.16 0.99 -0.95 -1.27 116.97 120.04 3mjw h TYR 608 Ca 0.31 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.96 3mjw h TYR 608 Cb -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.59 3mjw h TYR 608 CO -0.01 0.25 -0.38 1.96 -0.00 0.00 0.00 178.16 179.98 3mjw h GLN 609 N 0.00 0.00 -0.04 4.88 7.50 -0.45 -2.74 115.11 124.26 3mjw h GLN 609 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 3mjw h GLN 609 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 3mjw h GLN 609 CO 0.03 0.38 -0.03 -0.07 -1.50 0.00 0.00 178.83 177.64 3mjw h LEU 610 N 0.00 0.10 0.00 1.46 3.38 -0.11 -3.16 115.31 116.98 3mjw h LEU 610 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3mjw h LEU 610 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3mjw h LEU 610 CO 0.05 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.29 3mjw n LEU 611 N -4.79 0.00 -0.34 1.67 4.77 -0.97 -2.25 117.00 115.08 3mjw n LEU 611 Ca -0.08 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3mjw n LEU 611 Cb 0.26 -0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.25 3mjw n LEU 611 CO 0.35 -0.19 1.19 0.00 -1.33 0.00 0.00 177.39 177.40 3mjw h ALA 612 N 2.62 1.56 -0.21 -1.18 0.00 -1.45 -3.42 119.26 117.18 3mjw h ALA 612 Ca 0.00 0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.23 3mjw h ALA 612 Cb 0.20 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.63 3mjw h ALA 612 CO 0.00 0.01 0.45 1.03 0.00 0.00 0.00 179.25 180.73 3mjw s ARG 613 N -5.90 0.07 -0.01 0.00 1.81 -0.95 -4.87 118.95 109.09 3mjw s ARG 613 Ca -0.12 0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 3mjw s ARG 613 Cb 0.24 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 3mjw s ARG 613 CO 0.80 -0.03 0.00 -2.13 -0.68 0.00 0.00 175.30 173.26 3mjw n ARG 614 N 4.79 -0.17 -0.07 3.54 0.63 -1.24 -4.94 116.66 119.21 3mjw n ARG 614 Ca -0.07 0.08 -0.13 0.00 -0.92 0.00 0.00 57.85 56.81 3mjw n ARG 614 Cb 0.55 -3.24 -0.06 0.00 0.45 0.00 0.00 32.46 30.16 3mjw n ARG 614 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3mjw h GLU 615 N 0.85 0.50 -0.47 -0.14 4.39 -1.93 -2.90 114.58 114.87 3mjw h GLU 615 Ca -0.00 -0.27 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 3mjw h GLU 615 Cb 0.09 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3mjw h GLU 615 CO 0.00 0.85 -0.20 -0.24 -1.16 0.00 0.00 179.01 178.26 3mjw h VAL 616 N 0.17 1.27 -0.01 3.13 3.04 -1.92 -3.05 116.25 118.87 3mjw h VAL 616 Ca 0.03 -1.36 -0.00 0.00 -1.01 0.00 0.00 66.70 64.36 3mjw h VAL 616 Cb 0.77 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3mjw h VAL 616 CO 0.05 0.47 0.01 -0.25 -1.01 0.00 0.00 177.57 176.84 3mjw h TRP 617 N 0.82 0.02 0.00 3.17 2.91 -1.84 -1.82 115.95 119.21 3mjw h TRP 617 Ca 0.11 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3mjw h TRP 617 Cb 0.78 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3mjw h TRP 617 CO 0.05 0.05 0.00 -0.25 -1.03 0.00 0.00 178.44 177.26 3mjw n ASP 618 N -5.06 0.02 -0.22 2.65 9.92 -1.09 -1.84 116.55 120.92 3mjw n ASP 618 Ca -0.07 0.51 0.02 0.00 -0.53 0.00 0.00 54.79 54.72 3mjw n ASP 618 Cb 0.05 -0.51 0.04 0.00 -0.64 0.00 0.00 41.12 40.05 3mjw n ASP 618 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mjw n GLN 619 N -1.53 1.23 -3.01 -1.24 6.02 -0.74 -5.03 117.38 113.09 3mjw n GLN 619 Ca 0.00 -1.23 -0.37 0.00 -0.01 0.00 0.00 57.00 55.39 3mjw n GLN 619 Cb 0.02 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 3mjw n GLN 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3mjw s SER 620 N -0.68 7.17 -0.06 1.08 1.04 -0.77 -5.00 113.70 116.48 3mjw s SER 620 Ca 0.07 1.54 -0.29 0.00 0.48 0.00 0.00 55.95 57.75 3mjw s SER 620 Cb 0.04 -2.47 -0.07 0.00 0.10 0.00 0.00 66.02 63.63 3mjw s SER 620 CO 0.06 0.04 1.93 0.00 0.98 0.00 0.00 173.24 176.25 3mjw s ALA 621 N -1.49 3.38 -0.45 5.32 0.00 -1.26 -4.82 121.76 122.43 3mjw s ALA 621 Ca 0.44 1.06 -0.45 0.00 0.00 0.00 0.00 51.96 53.01 3mjw s ALA 621 Cb -0.18 -3.88 -0.19 0.00 0.00 0.00 0.00 23.12 18.88 3mjw s ALA 621 CO 0.22 -1.84 1.77 -0.11 0.00 0.00 0.00 175.76 175.80 3mjw n LEU 622 N 8.44 1.37 -4.21 0.00 7.94 -1.26 -4.91 117.00 124.36 3mjw n LEU 622 Ca 0.21 1.02 -0.40 0.00 -1.11 0.00 0.00 56.01 55.74 3mjw n LEU 622 Cb 0.43 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.33 3mjw n LEU 622 CO 0.66 -0.74 -0.08 -0.62 -1.11 0.00 0.00 177.39 175.50 3mjw s ASP 623 N 3.98 5.58 0.15 1.96 -1.08 -1.26 -4.98 116.67 121.01 3mjw s ASP 623 Ca 1.07 -1.79 -0.15 0.00 -0.52 0.00 0.00 52.55 51.17 3mjw s ASP 623 Cb -1.39 -1.96 0.02 0.00 -1.46 0.00 0.00 42.92 38.13 3mjw s ASP 623 CO 0.74 -0.61 1.72 0.58 0.52 0.00 0.00 175.17 178.12 3mjw h VAL 624 N 6.17 1.19 -0.60 1.11 2.07 -1.96 0.37 116.25 124.59 3mjw h VAL 624 Ca -0.20 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 66.87 3mjw h VAL 624 Cb 1.07 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3mjw h VAL 624 CO 0.79 0.21 0.41 1.23 0.02 0.00 0.00 177.57 180.23 3mjw h GLY 625 N 0.59 0.60 1.37 2.17 0.00 -1.91 -0.35 103.07 105.53 3mjw h GLY 625 Ca 0.15 -0.17 -0.24 0.00 0.00 0.00 0.00 47.33 47.07 3mjw h GLY 625 CO -0.02 0.11 -0.95 -2.00 0.00 0.00 0.00 176.54 173.68 3mjw h LEU 626 N 0.43 0.73 -0.97 3.11 5.85 -1.65 -3.22 115.31 119.59 3mjw h LEU 626 Ca 0.28 -0.57 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 3mjw h LEU 626 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3mjw h LEU 626 CO -0.08 1.36 -0.36 0.74 -0.34 0.00 0.00 178.44 179.76 3mjw h THR 627 N 0.34 1.29 -0.54 1.05 2.02 0.17 -2.96 112.91 114.27 3mjw h THR 627 Ca -0.09 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 3mjw h THR 627 Cb 1.59 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 3mjw h THR 627 CO 0.18 0.43 0.04 0.24 0.37 0.00 0.00 175.52 176.78 3mjw h MET 628 N 0.25 0.89 -0.19 6.66 2.86 -1.15 -3.03 114.93 121.23 3mjw h MET 628 Ca 0.03 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3mjw h MET 628 Cb 0.76 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3mjw h MET 628 CO 0.06 0.86 0.06 1.96 1.06 0.00 0.00 176.91 180.91 3mjw h GLN 629 N 0.83 0.25 -0.06 1.72 4.20 -1.53 -0.59 115.11 119.93 3mjw h GLN 629 Ca 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3mjw h GLN 629 Cb 0.43 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3mjw h GLN 629 CO 0.02 0.23 0.00 1.28 -0.67 0.00 0.00 178.83 179.68 3mjw n LEU 630 N -4.45 0.59 0.00 1.46 4.77 -1.14 -3.41 117.00 114.82 3mjw n LEU 630 Ca -0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3mjw n LEU 630 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3mjw n LEU 630 CO 0.35 0.12 0.47 0.18 -1.33 0.00 0.00 177.39 177.18 3mjw n LEU 631 N -0.38 1.83 0.00 2.23 4.77 -0.24 -4.30 117.00 120.91 3mjw n LEU 631 Ca 0.14 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3mjw n LEU 631 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3mjw n LEU 631 CO 0.11 0.46 0.00 -0.90 -1.33 0.00 0.00 177.39 175.72 3mjw n ASP 632 N -0.43 0.00 0.28 -1.43 5.68 -1.18 -4.81 116.55 114.65 3mjw n ASP 632 Ca 0.00 -0.59 0.15 0.00 -0.50 0.00 0.00 54.79 53.85 3mjw n ASP 632 Cb 0.24 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.00 3mjw n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mjw n ASN 634 N -3.45 0.00 -3.94 0.00 4.13 -1.26 -3.51 115.26 107.23 3mjw n ASN 634 Ca -0.01 -0.31 -0.21 0.00 1.68 0.00 0.00 54.58 55.73 3mjw n ASN 634 Cb 0.23 -0.21 -0.16 0.00 -1.54 0.00 0.00 39.78 38.10 3mjw n ASN 634 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3mjw s PHE 635 N -2.41 0.97 -0.00 3.10 0.40 -1.08 -4.83 117.98 114.13 3mjw s PHE 635 Ca 0.29 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3mjw s PHE 635 Cb 0.18 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.93 3mjw s PHE 635 CO 0.38 -0.21 0.59 0.43 0.70 0.00 0.00 175.22 177.10 3mjw n SER 636 N 3.92 0.22 -4.60 1.36 7.64 -1.26 -4.76 113.62 116.14 3mjw n SER 636 Ca -0.24 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.05 3mjw n SER 636 Cb 0.51 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 3mjw n SER 636 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mjw s ASP 637 N -0.18 6.48 0.32 6.43 3.68 -1.26 -4.73 116.67 127.41 3mjw s ASP 637 Ca 0.00 0.44 0.09 0.00 2.13 0.00 0.00 52.55 55.21 3mjw s ASP 637 Cb 0.00 -2.32 0.93 0.00 -1.45 0.00 0.00 42.92 40.09 3mjw s ASP 637 CO 0.00 -0.43 1.65 -0.08 0.13 0.00 0.00 175.17 176.44 3mjw h GLU 638 N 8.15 0.27 -0.23 4.34 4.81 -1.96 -0.41 114.58 129.54 3mjw h GLU 638 Ca -0.27 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.76 3mjw h GLU 638 Cb 1.12 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3mjw h GLU 638 CO 0.78 0.18 -0.57 -0.91 -0.73 0.00 0.00 179.01 177.75 3mjw h ASN 639 N 0.27 0.81 0.26 1.04 4.21 -1.98 -1.76 115.58 118.43 3mjw h ASN 639 Ca 0.66 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 3mjw h ASN 639 Cb 1.44 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 3mjw h ASN 639 CO -0.63 1.21 -0.12 0.58 -1.29 0.00 0.00 177.43 177.17 3mjw h VAL 640 N 0.55 0.79 0.00 2.81 2.07 -1.52 -3.02 116.25 117.93 3mjw h VAL 640 Ca 0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3mjw h VAL 640 Cb 1.15 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3mjw h VAL 640 CO 0.12 0.07 -0.10 0.03 0.02 0.00 0.00 177.57 177.71 3mjw h ARG 641 N -0.51 0.00 0.00 1.57 3.08 -1.30 -2.64 114.38 114.58 3mjw h ARG 641 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3mjw h ARG 641 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3mjw h ARG 641 CO 0.06 0.10 -0.25 0.00 -1.07 0.00 0.00 179.97 178.81 3mjw h ALA 642 N 1.90 0.88 0.00 0.04 0.00 -1.19 -2.37 119.26 118.52 3mjw h ALA 642 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mjw h ALA 642 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mjw h ALA 642 CO 0.01 0.31 -0.10 -0.84 0.00 0.00 0.00 179.25 178.63 3mjw h ILE 643 N 0.00 0.00 0.07 0.00 3.07 -1.36 -1.60 117.51 117.69 3mjw h ILE 643 Ca -0.00 -0.51 -0.16 0.00 1.55 0.00 0.00 64.86 65.74 3mjw h ILE 643 Cb 1.04 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 3mjw h ILE 643 CO 0.03 0.00 -0.77 0.00 -1.05 0.00 0.00 178.15 176.37 3mjw h ALA 644 N 2.49 0.05 -0.60 0.16 0.00 -1.53 -3.12 119.26 116.71 3mjw h ALA 644 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 3mjw h ALA 644 Cb 0.75 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3mjw h ALA 644 CO 0.00 0.41 0.31 0.28 0.00 0.00 0.00 179.25 180.25 3mjw h VAL 645 N -0.64 1.19 -0.81 0.00 2.07 -1.46 -1.25 116.25 115.35 3mjw h VAL 645 Ca -0.17 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3mjw h VAL 645 Cb 1.43 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3mjw h VAL 645 CO 0.03 0.21 0.54 -0.61 0.02 0.00 0.00 177.57 177.76 3mjw h GLN 646 N 0.83 0.97 0.00 1.57 4.15 -1.40 -1.66 115.11 119.57 3mjw h GLN 646 Ca 0.21 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3mjw h GLN 646 Cb 0.05 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.52 3mjw h GLN 646 CO -0.03 0.64 0.00 -0.22 -1.93 0.00 0.00 178.83 177.29 3mjw h LYS 647 N 1.00 0.00 0.00 1.69 1.63 -1.18 -2.78 116.57 116.92 3mjw h LYS 647 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 3mjw h LYS 647 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3mjw h LYS 647 CO -0.10 0.00 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.70 3mjw h LEU 648 N 0.00 0.00 0.00 5.20 3.38 -0.67 -3.32 115.31 119.89 3mjw h LEU 648 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mjw h LEU 648 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3mjw h LEU 648 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3mjw n GLU 649 N -2.97 0.06 0.00 1.13 -0.58 -1.05 -3.03 120.64 114.19 3mjw n GLU 649 Ca 0.04 0.28 0.07 0.00 -0.42 0.00 0.00 57.16 57.13 3mjw n GLU 649 Cb 0.52 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.91 3mjw n GLU 649 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3mjw n SER 650 N -1.38 1.77 -4.86 1.62 3.41 -1.25 -4.98 113.62 107.96 3mjw n SER 650 Ca 0.03 -1.39 -0.33 0.00 -0.26 0.00 0.00 58.87 56.92 3mjw n SER 650 Cb 0.07 0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 3mjw n SER 650 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3mjw s LEU 651 N -1.72 4.16 0.98 1.04 0.05 -1.17 -5.08 118.68 116.94 3mjw s LEU 651 Ca 0.14 1.07 -0.12 0.00 0.05 0.00 0.00 54.13 55.27 3mjw s LEU 651 Cb 0.12 -3.76 0.17 0.00 -2.05 0.00 0.00 46.19 40.68 3mjw s LEU 651 CO 0.31 -0.09 1.09 -1.83 -0.55 0.00 0.00 176.35 175.28 3mjw s GLU 652 N -2.73 0.61 0.59 1.48 -1.05 -1.26 -4.85 118.70 111.49 3mjw s GLU 652 Ca 0.48 0.66 0.35 0.00 -0.15 0.00 0.00 54.97 56.32 3mjw s GLU 652 Cb -0.12 -1.75 1.86 0.00 -0.44 0.00 0.00 34.13 33.69 3mjw s GLU 652 CO 0.20 -2.64 2.20 -0.44 0.95 0.00 0.00 175.26 175.52 3mjw h ASP 653 N -1.83 0.00 0.39 0.83 3.32 -1.98 -2.09 116.42 115.05 3mjw h ASP 653 Ca -0.53 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.46 3mjw h ASP 653 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3mjw h ASP 653 CO 0.56 0.04 -0.28 -0.78 -1.72 0.00 0.00 179.24 177.05 3mjw h ASP 654 N 0.00 0.00 0.37 6.45 3.58 -1.91 -2.82 116.42 122.08 3mjw h ASP 654 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 3mjw h ASP 654 Cb 0.20 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 3mjw h ASP 654 CO 0.00 0.28 -1.80 0.44 -2.88 0.00 0.00 179.24 175.29 3mjw h ASP 655 N 0.00 0.16 -0.78 2.28 3.32 -1.73 -3.28 116.42 116.38 3mjw h ASP 655 Ca -0.00 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 56.76 3mjw h ASP 655 Cb 0.55 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 3mjw h ASP 655 CO 0.04 1.32 0.47 0.58 -1.72 0.00 0.00 179.24 179.92 3mjw h VAL 656 N 0.03 1.00 -0.66 -1.35 2.07 -1.41 -0.24 116.25 115.69 3mjw h VAL 656 Ca -0.33 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3mjw h VAL 656 Cb 2.02 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3mjw h VAL 656 CO 0.09 0.15 0.39 -0.07 0.02 0.00 0.00 177.57 178.15 3mjw h LEU 657 N 0.84 0.79 -1.84 2.57 3.38 -1.64 0.49 115.31 119.90 3mjw h LEU 657 Ca 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3mjw h LEU 657 Cb 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mjw h LEU 657 CO -0.19 0.61 -0.09 0.45 0.09 0.00 0.00 178.44 179.31 3mjw h HIS 658 N 0.90 0.00 0.00 1.13 3.86 -1.11 -3.19 115.15 116.74 3mjw h HIS 658 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3mjw h HIS 658 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3mjw h HIS 658 CO 0.00 0.09 0.00 0.66 0.86 0.00 0.00 177.93 179.55 3mjw n TYR 659 N -4.38 0.00 -0.28 2.45 4.02 -0.89 -4.80 117.16 113.29 3mjw n TYR 659 Ca -0.03 -0.17 0.08 0.00 -0.01 0.00 0.00 57.90 57.77 3mjw n TYR 659 Cb 0.17 -0.02 0.23 0.00 -0.02 0.00 0.00 39.34 39.70 3mjw n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3mjw h LEU 660 N 0.00 0.31 0.01 7.72 5.85 -0.03 -1.24 115.31 127.93 3mjw h LEU 660 Ca 0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3mjw h LEU 660 Cb 0.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3mjw h LEU 660 CO 0.00 0.08 -0.00 0.25 -0.34 0.00 0.00 178.44 178.42 3mjw h LEU 661 N 0.45 -0.01 -0.88 2.25 5.85 -1.85 -1.05 115.31 120.08 3mjw h LEU 661 Ca 0.47 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 59.01 3mjw h LEU 661 Cb 0.78 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3mjw h LEU 661 CO -0.45 0.06 -0.50 1.56 -0.34 0.00 0.00 178.44 178.77 3mjw h GLN 662 N -0.07 0.15 -0.20 1.25 7.50 -1.78 -1.15 115.11 120.80 3mjw h GLN 662 Ca -0.00 -0.08 -0.14 0.00 0.50 0.00 0.00 58.65 58.93 3mjw h GLN 662 Cb 0.07 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 3mjw h GLN 662 CO 0.00 0.62 -0.45 -0.07 -1.50 0.00 0.00 178.83 177.43 3mjw h LEU 663 N 0.12 0.55 -0.22 1.46 3.38 -1.13 0.21 115.31 119.68 3mjw h LEU 663 Ca 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3mjw h LEU 663 Cb 0.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3mjw h LEU 663 CO 0.07 0.92 -0.05 0.58 0.09 0.00 0.00 178.44 180.05 3mjw h VAL 664 N 0.41 1.28 0.00 1.22 2.07 -0.97 -2.59 116.25 117.68 3mjw h VAL 664 Ca 0.03 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3mjw h VAL 664 Cb 0.95 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3mjw h VAL 664 CO 0.08 0.32 -0.08 1.56 0.02 0.00 0.00 177.57 179.47 3mjw h GLN 665 N 0.15 0.00 0.00 1.57 1.08 -1.12 -2.01 115.11 114.78 3mjw h GLN 665 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3mjw h GLN 665 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3mjw h GLN 665 CO 0.02 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 3mjw h ALA 666 N 1.92 1.00 0.00 3.87 0.00 -0.18 -2.58 119.26 123.28 3mjw h ALA 666 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3mjw h ALA 666 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mjw h ALA 666 CO 0.01 0.00 -0.10 0.28 0.00 0.00 0.00 179.25 179.44 3mjw h VAL 667 N 0.00 0.74 0.00 0.00 2.07 -1.23 -2.14 116.25 115.69 3mjw h VAL 667 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3mjw h VAL 667 Cb 0.49 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3mjw h VAL 667 CO 0.00 0.10 0.00 0.29 0.02 0.00 0.00 177.57 177.98 3mjw n LYS 668 N -3.93 0.03 -0.01 1.57 5.02 -0.97 -1.96 118.16 117.91 3mjw n LYS 668 Ca -0.02 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 3mjw n LYS 668 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 3mjw n LYS 668 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mjw n PHE 669 N -1.43 0.00 -1.79 2.13 0.99 -0.80 -4.89 117.46 111.67 3mjw n PHE 669 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.06 3mjw n PHE 669 Cb 0.07 -0.32 -0.01 0.00 -1.00 0.00 0.00 39.48 38.21 3mjw n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3mjw s GLU 670 N -3.09 4.12 0.07 -1.08 0.41 -0.83 -4.92 118.70 113.38 3mjw s GLU 670 Ca -0.04 2.57 -0.11 0.00 -0.41 0.00 0.00 54.97 56.98 3mjw s GLU 670 Cb 0.11 -3.00 -0.25 0.00 -1.78 0.00 0.00 34.13 29.21 3mjw s GLU 670 CO 0.72 -0.60 1.15 -1.35 -0.49 0.00 0.00 175.26 174.69 3mjw h PRO 671 N 4.21 0.53 -6.21 0.39 0.11 -1.89 -3.46 132.00 125.69 3mjw h PRO 671 Ca -0.48 -0.70 -0.54 0.00 0.11 0.00 0.00 66.00 64.38 3mjw h PRO 671 Cb 1.23 0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.49 3mjw h PRO 671 CO 0.74 1.30 -0.60 0.71 -0.21 0.00 0.00 178.00 179.94 3mjw s TYR 672 N -3.00 2.87 -0.00 0.65 1.51 -1.26 -4.86 117.35 113.25 3mjw s TYR 672 Ca -0.08 -0.17 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 3mjw s TYR 672 Cb 0.06 -1.29 -0.14 0.00 -0.11 0.00 0.00 41.96 40.48 3mjw s TYR 672 CO 0.91 0.58 1.05 0.45 -1.11 0.00 0.00 175.55 177.43 3mjw h HIS 673 N 1.80 -0.58 -3.01 2.71 3.86 -1.93 -3.41 115.15 114.59 3mjw h HIS 673 Ca -0.46 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.18 3mjw h HIS 673 Cb 1.24 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.88 3mjw h HIS 673 CO 0.63 -0.26 0.76 0.34 0.86 0.00 0.00 177.93 180.26 3mjw s ASP 674 N -4.85 6.98 0.05 2.45 -1.08 -1.26 -4.82 116.67 114.14 3mjw s ASP 674 Ca -0.13 1.89 -0.23 0.00 -0.52 0.00 0.00 52.55 53.56 3mjw s ASP 674 Cb 0.02 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.97 3mjw s ASP 674 CO 0.44 -0.64 0.53 -0.94 0.52 0.00 0.00 175.17 175.07 3mjw s SER 675 N 1.67 -0.45 0.33 -0.34 1.04 -1.26 -5.02 113.70 109.66 3mjw s SER 675 Ca 0.58 0.19 0.12 0.00 0.48 0.00 0.00 55.95 57.32 3mjw s SER 675 Cb -0.26 0.50 1.01 0.00 0.10 0.00 0.00 66.02 67.36 3mjw s SER 675 CO 0.22 -0.72 1.69 0.00 0.98 0.00 0.00 173.24 175.41 3mjw h ALA 676 N 2.76 1.89 0.39 5.32 0.00 -1.94 -1.11 119.26 126.58 3mjw h ALA 676 Ca -0.31 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3mjw h ALA 676 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3mjw h ALA 676 CO 0.41 -0.45 -0.19 1.25 0.00 0.00 0.00 179.25 180.28 3mjw h LEU 677 N 0.43 -0.44 0.07 0.00 5.85 -1.96 -2.25 115.31 117.02 3mjw h LEU 677 Ca 0.70 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.32 3mjw h LEU 677 Cb 1.49 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 3mjw h LEU 677 CO -0.55 -0.11 -0.43 0.00 -0.34 0.00 0.00 178.44 177.01 3mjw h ALA 678 N -0.34 -0.74 -0.25 1.25 0.00 -1.63 -0.42 119.26 117.12 3mjw h ALA 678 Ca -0.05 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mjw h ALA 678 Cb 0.53 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3mjw h ALA 678 CO 0.09 -0.99 0.33 0.00 0.00 0.00 0.00 179.25 178.68 3mjw h ARG 679 N -0.63 0.00 0.07 0.00 3.08 -1.30 -1.03 114.38 114.57 3mjw h ARG 679 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3mjw h ARG 679 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3mjw h ARG 679 CO -0.28 0.00 -0.44 0.35 -1.07 0.00 0.00 179.97 178.53 3mjw h PHE 680 N 0.00 0.30 -0.55 3.04 3.57 -0.49 -0.18 116.94 122.64 3mjw h PHE 680 Ca 0.12 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3mjw h PHE 680 Cb 0.78 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3mjw h PHE 680 CO 0.00 1.15 0.36 -0.07 -2.23 0.00 0.00 178.31 177.53 3mjw h LEU 681 N -0.63 0.47 -0.03 0.59 3.38 -0.41 -0.41 115.31 118.27 3mjw h LEU 681 Ca -0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3mjw h LEU 681 Cb 1.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3mjw h LEU 681 CO 0.08 0.32 -0.07 0.25 0.09 0.00 0.00 178.44 179.11 3mjw h LEU 682 N 0.55 0.11 -1.11 1.67 6.46 -1.24 -1.75 115.31 120.00 3mjw h LEU 682 Ca 0.23 -0.59 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 3mjw h LEU 682 Cb 0.22 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 3mjw h LEU 682 CO -0.06 0.68 0.31 0.50 -0.62 0.00 0.00 178.44 179.25 3mjw h LYS 683 N -0.46 0.94 0.00 1.25 3.64 -0.56 -2.45 116.57 118.93 3mjw h LYS 683 Ca -0.00 -0.13 -0.21 0.00 -1.27 0.00 0.00 60.65 59.05 3mjw h LYS 683 Cb 0.66 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3mjw h LYS 683 CO 0.01 0.73 -1.15 0.00 -2.27 0.00 0.00 179.45 176.77 3mjw h ARG 684 N 0.94 0.00 -0.11 1.90 2.47 -1.15 -3.22 114.38 115.20 3mjw h ARG 684 Ca 0.23 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 3mjw h ARG 684 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3mjw h ARG 684 CO -0.03 0.69 -0.01 0.78 0.56 0.00 0.00 179.97 181.96 3mjw h GLY 685 N 3.31 0.21 1.89 0.04 0.00 -1.13 -2.99 103.07 104.40 3mjw h GLY 685 Ca -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3mjw h GLY 685 CO 0.09 0.15 -0.13 1.41 0.00 0.00 0.00 176.54 178.06 3mjw h LEU 686 N -0.09 0.13 -0.30 3.11 3.38 -1.56 -2.94 115.31 117.04 3mjw h LEU 686 Ca 0.03 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3mjw h LEU 686 Cb 0.37 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3mjw h LEU 686 CO 0.01 0.28 -0.77 -0.09 0.09 0.00 0.00 178.44 177.95 3mjw h ARG 687 N 0.13 0.00 -4.56 1.13 2.43 -1.56 -3.43 114.38 108.52 3mjw h ARG 687 Ca 0.03 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.62 3mjw h ARG 687 Cb 0.32 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 29.51 3mjw h ARG 687 CO 0.02 0.77 -0.83 1.21 -1.51 0.00 0.00 179.97 179.64 3mjw s ASN 688 N -6.69 2.53 0.27 -3.80 3.84 -1.12 -4.89 114.94 105.07 3mjw s ASN 688 Ca 0.01 -0.43 -0.01 0.00 0.21 0.00 0.00 52.86 52.63 3mjw s ASN 688 Cb 0.11 -1.08 0.47 0.00 -0.55 0.00 0.00 41.25 40.20 3mjw s ASN 688 CO 0.78 -0.07 1.83 0.11 -2.79 0.00 0.00 177.10 176.97 3mjw h LYS 689 N 8.04 0.92 0.04 0.43 1.57 -1.81 -1.61 116.57 124.14 3mjw h LYS 689 Ca -0.36 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3mjw h LYS 689 Cb 1.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3mjw h LYS 689 CO 0.49 0.61 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.87 3mjw h ARG 690 N 0.95 -0.06 -0.64 3.15 2.43 -1.90 -2.26 114.38 116.06 3mjw h ARG 690 Ca 0.45 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.69 3mjw h ARG 690 Cb 0.39 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 3mjw h ARG 690 CO -0.25 0.23 0.33 0.82 -1.51 0.00 0.00 179.97 179.60 3mjw h ILE 691 N -0.34 0.93 -0.11 1.20 2.04 -1.78 -1.55 117.51 117.89 3mjw h ILE 691 Ca -0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3mjw h ILE 691 Cb 0.31 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3mjw h ILE 691 CO 0.01 0.11 0.08 1.23 0.00 0.00 0.00 178.15 179.58 3mjw h GLY 692 N 0.61 0.15 0.67 5.37 0.00 -1.19 0.76 103.07 109.44 3mjw h GLY 692 Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 3mjw h GLY 692 CO -0.20 0.06 -0.32 0.84 0.00 0.00 0.00 176.54 176.92 3mjw h HIS 693 N 0.15 -0.83 0.00 5.60 -0.00 -0.68 -2.31 115.15 117.08 3mjw h HIS 693 Ca 0.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 3mjw h HIS 693 Cb -0.01 0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3mjw h HIS 693 CO -0.00 -0.51 -0.12 0.74 -0.00 0.00 0.00 177.93 178.03 3mjw h PHE 694 N -1.24 0.00 0.02 5.26 -1.00 -1.36 -2.07 116.94 116.55 3mjw h PHE 694 Ca -0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 3mjw h PHE 694 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3mjw h PHE 694 CO 0.00 0.12 -0.01 1.25 -1.61 0.00 0.00 178.31 178.07 3mjw h LEU 695 N 0.00 -0.02 -0.39 1.54 5.85 -0.85 -1.35 115.31 120.08 3mjw h LEU 695 Ca -0.00 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3mjw h LEU 695 Cb 0.36 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3mjw h LEU 695 CO 0.02 0.12 -0.39 0.15 -0.34 0.00 0.00 178.44 178.00 3mjw h PHE 696 N -0.17 -1.11 0.00 1.25 3.57 -0.78 -1.73 116.94 117.97 3mjw h PHE 696 Ca -0.00 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3mjw h PHE 696 Cb 0.16 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3mjw h PHE 696 CO -0.03 -0.42 -0.38 -1.49 -2.23 0.00 0.00 178.31 173.76 3mjw h TRP 697 N -0.30 0.00 -0.06 0.41 4.06 -1.48 -0.35 115.95 118.22 3mjw h TRP 697 Ca 0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.93 3mjw h TRP 697 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 3mjw h TRP 697 CO -0.59 0.38 -0.71 0.74 -3.56 0.00 0.00 178.44 174.71 3mjw h PHE 698 N 0.00 0.42 0.11 0.49 0.05 -0.80 -1.31 116.94 115.89 3mjw h PHE 698 Ca -0.00 -0.18 -0.18 0.00 3.82 0.00 0.00 57.97 61.43 3mjw h PHE 698 Cb 0.90 -0.07 0.02 0.00 2.00 0.00 0.00 35.95 38.80 3mjw h PHE 698 CO 0.00 0.91 -0.75 -0.07 -0.18 0.00 0.00 178.31 178.22 3mjw h LEU 699 N 0.21 0.48 -1.70 1.54 3.38 -1.14 -3.28 115.31 114.81 3mjw h LEU 699 Ca -0.02 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.02 3mjw h LEU 699 Cb 1.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3mjw h LEU 699 CO 0.11 1.35 -0.05 -0.09 0.09 0.00 0.00 178.44 179.85 3mjw h ARG 700 N -0.31 0.12 -0.58 1.13 2.43 -1.12 0.71 114.38 116.76 3mjw h ARG 700 Ca -0.12 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3mjw h ARG 700 Cb 1.55 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 31.02 3mjw h ARG 700 CO 0.14 0.19 0.23 1.03 -1.51 0.00 0.00 179.97 180.05 3mjw h SER 701 N 0.12 0.25 0.27 -3.80 0.87 -1.29 -2.87 113.55 107.10 3mjw h SER 701 Ca 0.03 0.07 -0.34 0.00 -1.23 0.00 0.00 61.79 60.32 3mjw h SER 701 Cb 0.17 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3mjw h SER 701 CO 0.01 0.16 -1.74 -0.33 -0.53 0.00 0.00 176.83 174.40 3mjw h GLU 702 N 0.42 0.31 -0.08 2.24 4.39 -1.41 -3.31 114.58 117.14 3mjw h GLU 702 Ca 0.29 -0.53 0.02 0.00 0.34 0.00 0.00 59.36 59.48 3mjw h GLU 702 Cb 0.32 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3mjw h GLU 702 CO -0.27 1.19 0.26 0.82 -1.16 0.00 0.00 179.01 179.85 3mjw h ILE 703 N 0.08 0.13 0.00 3.13 2.04 -0.86 -0.99 117.51 121.04 3mjw h ILE 703 Ca -0.33 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3mjw h ILE 703 Cb 2.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3mjw h ILE 703 CO 0.15 0.00 -1.98 0.00 0.00 0.00 0.00 178.15 176.32 3mjw n ALA 704 N -2.06 2.63 -1.39 1.87 0.00 -1.09 -4.57 120.51 115.90 3mjw n ALA 704 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.88 3mjw n ALA 704 Cb 0.34 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 19.17 3mjw n ALA 704 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mjw n GLN 705 N -2.27 0.56 -3.64 0.00 10.64 -1.03 -4.57 117.38 117.07 3mjw n GLN 705 Ca -0.07 -1.28 -0.28 0.00 -1.83 0.00 0.00 57.00 53.54 3mjw n GLN 705 Cb 0.60 -0.76 -0.16 0.00 -0.86 0.00 0.00 30.24 29.06 3mjw n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3mjw s SER 706 N -1.19 3.28 0.35 2.61 0.15 -0.41 -4.95 113.70 113.54 3mjw s SER 706 Ca 0.07 -1.13 0.17 0.00 0.70 0.00 0.00 55.95 55.76 3mjw s SER 706 Cb 0.06 -0.50 0.58 0.00 -1.71 0.00 0.00 66.02 64.45 3mjw s SER 706 CO 0.01 -0.39 1.70 0.03 1.20 0.00 0.00 173.24 175.79 3mjw h ARG 707 N 8.30 0.00 0.00 5.44 3.08 -1.92 -1.69 114.38 127.59 3mjw h ARG 707 Ca -0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3mjw h ARG 707 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3mjw h ARG 707 CO 0.39 0.43 -0.16 0.45 -1.07 0.00 0.00 179.97 180.02 3mjw h HIS 708 N 0.00 0.00 0.00 3.04 3.86 -1.95 -3.35 115.15 116.75 3mjw h HIS 708 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mjw h HIS 708 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 3mjw h HIS 708 CO 0.00 0.16 0.00 0.66 0.86 0.00 0.00 177.93 179.61 3mjw n TYR 709 N -3.72 0.00 -0.25 2.45 4.02 -1.20 -4.58 117.16 113.89 3mjw n TYR 709 Ca -0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.03 3mjw n TYR 709 Cb 0.27 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.04 3mjw n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3mjw h GLN 710 N 0.00 0.52 -0.20 -0.72 3.07 -1.45 -1.51 115.11 114.83 3mjw h GLN 710 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 3mjw h GLN 710 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 3mjw h GLN 710 CO 0.00 0.35 0.11 1.96 0.09 0.00 0.00 178.83 181.34 3mjw h GLN 711 N 0.54 0.28 0.66 0.06 4.20 -1.85 -0.45 115.11 118.54 3mjw h GLN 711 Ca 0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 3mjw h GLN 711 Cb 0.93 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.66 3mjw h GLN 711 CO -0.19 0.25 -0.32 -0.09 -0.67 0.00 0.00 178.83 177.81 3mjw h ARG 712 N 0.23 -0.85 -0.99 1.46 2.43 -1.67 -2.68 114.38 112.31 3mjw h ARG 712 Ca 0.07 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.53 3mjw h ARG 712 Cb 0.05 0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 29.67 3mjw h ARG 712 CO -0.01 -0.55 0.58 0.74 -1.51 0.00 0.00 179.97 179.22 3mjw h PHE 713 N -1.19 0.99 -0.51 2.20 0.05 -1.43 -1.19 116.94 115.85 3mjw h PHE 713 Ca -0.09 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 3mjw h PHE 713 Cb 0.70 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.34 3mjw h PHE 713 CO 0.00 0.08 0.26 0.00 -0.18 0.00 0.00 178.31 178.47 3mjw h ALA 714 N 1.71 0.65 -0.25 2.45 0.00 -1.03 0.14 119.26 122.94 3mjw h ALA 714 Ca 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 3mjw h ALA 714 Cb 1.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mjw h ALA 714 CO -0.47 0.20 0.11 0.28 0.00 0.00 0.00 179.25 179.37 3mjw h VAL 715 N 0.68 1.10 -0.07 0.00 2.07 -0.88 -1.80 116.25 117.34 3mjw h VAL 715 Ca 0.18 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 3mjw h VAL 715 Cb 0.08 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3mjw h VAL 715 CO -0.03 0.11 -0.67 0.40 0.02 0.00 0.00 177.57 177.41 3mjw h ILE 716 N 0.34 1.35 0.16 4.57 2.04 -0.82 -2.77 117.51 122.38 3mjw h ILE 716 Ca 0.09 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 3mjw h ILE 716 Cb 0.06 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3mjw h ILE 716 CO -0.01 0.60 -0.08 0.25 0.00 0.00 0.00 178.15 178.91 3mjw h LEU 717 N 0.20 -0.18 -0.77 1.44 6.46 -0.39 -1.79 115.31 120.27 3mjw h LEU 717 Ca -0.06 -0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.83 3mjw h LEU 717 Cb 1.33 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.21 3mjw h LEU 717 CO 0.14 -0.12 0.34 -0.08 -0.62 0.00 0.00 178.44 178.09 3mjw h GLU 718 N -0.23 0.48 -0.79 1.25 4.81 -1.44 0.17 114.58 118.84 3mjw h GLU 718 Ca -0.02 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3mjw h GLU 718 Cb 0.18 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.37 3mjw h GLU 718 CO 0.04 0.32 0.40 0.00 -0.73 0.00 0.00 179.01 179.04 3mjw h ALA 719 N 1.54 1.13 -0.15 2.92 0.00 -1.11 -1.15 119.26 122.44 3mjw h ALA 719 Ca 0.42 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 3mjw h ALA 719 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3mjw h ALA 719 CO -0.38 -0.05 -0.25 -0.92 0.00 0.00 0.00 179.25 177.64 3mjw h TYR 720 N 0.63 0.54 -0.69 0.00 3.20 -0.13 -3.29 116.97 117.23 3mjw h TYR 720 Ca 0.41 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 62.13 3mjw h TYR 720 Cb 0.50 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3mjw h TYR 720 CO -0.10 0.88 0.46 -0.07 -1.64 0.00 0.00 178.16 177.68 3mjw h LEU 721 N 0.06 0.70 0.00 2.82 3.38 -0.13 -2.02 115.31 120.12 3mjw h LEU 721 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mjw h LEU 721 Cb 0.83 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3mjw h LEU 721 CO 0.06 0.48 0.00 0.54 0.09 0.00 0.00 178.44 179.61 3mjw n ARG 722 N -4.46 0.63 -0.38 1.13 1.74 -0.49 -3.36 116.66 111.46 3mjw n ARG 722 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3mjw n ARG 722 Cb 0.15 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3mjw n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mjw n GLY 723 N 0.21 0.40 0.10 -0.13 0.00 -0.80 -4.81 105.19 100.16 3mjw n GLY 723 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3mjw n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjw n GLY 725 N 1.35 3.43 0.13 0.00 0.00 -1.26 -4.62 105.19 104.22 3mjw n GLY 725 Ca -0.07 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.30 3mjw n GLY 725 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mjw h THR 726 N 0.25 0.00 0.14 2.61 2.02 -1.12 -2.26 112.91 114.56 3mjw h THR 726 Ca 0.00 -0.49 -0.28 0.00 0.77 0.00 0.00 66.41 66.41 3mjw h THR 726 Cb 0.00 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3mjw h THR 726 CO 0.00 0.00 -1.26 0.00 0.37 0.00 0.00 175.52 174.63 3mjw h ALA 727 N 2.39 0.06 -0.33 6.16 0.00 -1.69 -2.98 119.26 122.87 3mjw h ALA 727 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 3mjw h ALA 727 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mjw h ALA 727 CO 0.00 0.88 -0.32 0.52 0.00 0.00 0.00 179.25 180.33 3mjw h MET 728 N 0.12 0.80 0.11 0.00 2.07 -1.78 -2.79 114.93 113.46 3mjw h MET 728 Ca -0.16 -0.42 0.01 0.00 -2.07 0.00 0.00 59.70 57.06 3mjw h MET 728 Cb 1.97 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 31.69 3mjw h MET 728 CO 0.22 1.05 -0.17 -0.07 1.07 0.00 0.00 176.91 179.02 3mjw h LEU 729 N 0.58 -0.45 -0.42 1.22 3.38 -1.50 -0.50 115.31 117.62 3mjw h LEU 729 Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3mjw h LEU 729 Cb 0.90 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 3mjw h LEU 729 CO 0.08 -0.24 -0.25 -0.74 0.09 0.00 0.00 178.44 177.38 3mjw h HIS 730 N -0.33 -0.66 0.10 1.13 2.76 -1.56 -1.62 115.15 114.96 3mjw h HIS 730 Ca 0.02 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3mjw h HIS 730 Cb 0.34 0.36 -0.05 0.00 1.55 0.00 0.00 27.41 29.61 3mjw h HIS 730 CO -0.16 -0.33 -0.53 -0.44 -1.30 0.00 0.00 177.93 175.17 3mjw h ASP 731 N -0.17 -1.59 -0.84 3.26 3.32 -1.17 -2.76 116.42 116.46 3mjw h ASP 731 Ca 0.20 0.17 0.16 0.00 0.02 0.00 0.00 57.03 57.57 3mjw h ASP 731 Cb 0.48 0.59 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 3mjw h ASP 731 CO -0.52 -0.55 0.41 -0.26 -1.72 0.00 0.00 179.24 176.60 3mjw h PHE 732 N -0.74 0.71 -0.74 4.55 0.05 -0.71 -1.08 116.94 118.99 3mjw h PHE 732 Ca 0.00 0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.86 3mjw h PHE 732 Cb 0.75 -0.19 -0.04 0.00 2.00 0.00 0.00 35.95 38.47 3mjw h PHE 732 CO -0.46 0.13 0.48 1.15 -0.18 0.00 0.00 178.31 179.43 3mjw h THR 733 N 0.56 1.10 -0.10 -1.55 2.02 -1.02 -0.39 112.91 113.54 3mjw h THR 733 Ca 0.47 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 3mjw h THR 733 Cb 0.70 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3mjw h THR 733 CO -0.39 0.16 -0.12 1.56 0.37 0.00 0.00 175.52 177.11 3mjw h GLN 734 N 0.88 0.26 -0.85 6.66 4.20 -1.05 -2.56 115.11 122.66 3mjw h GLN 734 Ca 0.30 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.91 3mjw h GLN 734 Cb 0.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 3mjw h GLN 734 CO -0.09 0.69 0.55 1.96 -0.67 0.00 0.00 178.83 181.28 3mjw h GLN 735 N -0.15 0.96 -0.49 1.46 4.20 -0.91 -1.26 115.11 118.92 3mjw h GLN 735 Ca 0.02 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3mjw h GLN 735 Cb 0.64 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3mjw h GLN 735 CO 0.03 0.63 -0.21 0.28 -0.67 0.00 0.00 178.83 178.89 3mjw h VAL 736 N 0.99 1.27 -0.57 -0.54 2.07 -1.09 -2.81 116.25 115.56 3mjw h VAL 736 Ca 0.35 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 3mjw h VAL 736 Cb 0.14 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3mjw h VAL 736 CO -0.12 0.48 -0.02 1.56 0.02 0.00 0.00 177.57 179.49 3mjw h GLN 737 N 0.86 1.03 0.32 1.57 4.20 -0.96 -1.47 115.11 120.66 3mjw h GLN 737 Ca 0.11 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3mjw h GLN 737 Cb 0.79 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3mjw h GLN 737 CO 0.07 1.03 -0.16 0.28 -0.67 0.00 0.00 178.83 179.38 3mjw h VAL 738 N 0.91 0.68 0.00 -0.54 2.07 -1.21 -0.40 116.25 117.78 3mjw h VAL 738 Ca 0.16 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 3mjw h VAL 738 Cb 0.58 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3mjw h VAL 738 CO 0.03 0.00 -0.29 0.16 0.02 0.00 0.00 177.57 177.50 3mjw h ILE 739 N -0.45 1.03 -0.41 4.57 -0.00 -1.53 0.34 117.51 121.06 3mjw h ILE 739 Ca -0.04 -1.04 -0.11 0.00 -0.00 0.00 0.00 64.86 63.67 3mjw h ILE 739 Cb 0.34 1.59 -0.01 0.00 -0.00 0.00 0.00 36.82 38.73 3mjw h ILE 739 CO 0.07 0.28 -0.20 -0.33 -0.00 0.00 0.00 178.15 177.97 3mjw h GLU 740 N 0.00 0.79 0.02 0.16 5.08 -0.85 -1.65 114.58 118.13 3mjw h GLU 740 Ca -0.00 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3mjw h GLU 740 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3mjw h GLU 740 CO 0.04 0.93 -0.01 0.52 -1.00 0.00 0.00 179.01 179.49 3mjw h MET 741 N 0.70 -0.02 0.00 2.33 2.86 -0.65 -3.25 114.93 116.89 3mjw h MET 741 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3mjw h MET 741 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3mjw h MET 741 CO 0.06 0.75 0.00 -0.07 1.06 0.00 0.00 176.91 178.71 3mjw h LEU 742 N -0.92 0.00 0.09 1.22 3.38 -1.00 -1.58 115.31 116.51 3mjw h LEU 742 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3mjw h LEU 742 Cb 0.78 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.55 3mjw h LEU 742 CO 0.00 0.00 -1.23 1.56 0.09 0.00 0.00 178.44 178.86 3mjw h GLN 743 N 0.00 0.48 -0.48 1.13 4.20 -1.41 -3.02 115.11 116.00 3mjw h GLN 743 Ca 0.00 -0.68 0.09 0.00 0.06 0.00 0.00 58.65 58.12 3mjw h GLN 743 Cb 0.29 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 3mjw h GLN 743 CO 0.00 1.30 -0.03 0.87 -0.67 0.00 0.00 178.83 180.30 3mjw h LYS 744 N 0.19 0.08 0.00 1.46 1.57 -1.32 -2.05 116.57 116.51 3mjw h LYS 744 Ca -0.17 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3mjw h LYS 744 Cb 1.92 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 3mjw h LYS 744 CO 0.22 0.05 -0.24 0.28 -0.57 0.00 0.00 179.45 179.19 3mjw h VAL 745 N 0.08 1.01 0.04 0.50 2.07 -1.56 0.01 116.25 118.40 3mjw h VAL 745 Ca 0.24 -0.89 -0.22 0.00 0.82 0.00 0.00 66.70 66.65 3mjw h VAL 745 Cb 0.37 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3mjw h VAL 745 CO -0.43 0.24 -1.00 0.74 0.02 0.00 0.00 177.57 177.14 3mjw h THR 746 N 0.00 1.50 0.19 2.57 2.02 -1.26 -2.42 112.91 115.51 3mjw h THR 746 Ca -0.00 -2.79 -0.29 0.00 0.77 0.00 0.00 66.41 64.10 3mjw h THR 746 Cb 0.48 2.62 0.02 0.00 -1.74 0.00 0.00 68.15 69.54 3mjw h THR 746 CO 0.03 0.81 -1.37 -0.07 0.37 0.00 0.00 175.52 175.29 3mjw h LEU 747 N 0.11 0.61 -0.80 2.58 3.38 -1.13 -2.84 115.31 117.21 3mjw h LEU 747 Ca -0.07 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 56.96 3mjw h LEU 747 Cb 1.67 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 3mjw h LEU 747 CO 0.16 1.64 0.43 0.44 0.09 0.00 0.00 178.44 181.20 3mjw h ASP 748 N -0.08 1.01 0.24 -0.43 3.32 -1.10 -2.46 116.42 116.92 3mjw h ASP 748 Ca -0.26 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.56 3mjw h ASP 748 Cb 1.95 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.23 3mjw h ASP 748 CO 0.18 0.82 -0.49 0.40 -1.72 0.00 0.00 179.24 178.43 3mjw h ILE 749 N 1.12 1.34 -0.25 0.35 5.03 -1.55 -3.18 117.51 120.36 3mjw h ILE 749 Ca 0.28 -1.72 -0.11 0.00 -0.12 0.00 0.00 64.86 63.19 3mjw h ILE 749 Cb 0.04 1.80 -0.01 0.00 -3.03 0.00 0.00 36.82 35.62 3mjw h ILE 749 CO -0.04 0.52 -0.30 0.50 -0.68 0.00 0.00 178.15 178.14 3mjw h LYS 750 N 0.23 0.52 0.00 2.37 3.64 -1.20 -2.71 116.57 119.42 3mjw h LYS 750 Ca 0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3mjw h LYS 750 Cb 0.96 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3mjw h LYS 750 CO 0.08 0.76 0.00 -1.13 -2.27 0.00 0.00 179.45 176.89 3mjw n SER 751 N -4.09 0.00 -0.70 4.20 3.41 -0.97 -2.69 113.62 112.78 3mjw n SER 751 Ca -0.01 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.35 3mjw n SER 751 Cb 0.44 -0.16 0.33 0.00 -0.26 0.00 0.00 64.21 64.56 3mjw n SER 751 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mjw n LEU 752 N -1.16 2.11 -3.64 1.04 4.77 -1.02 -4.92 117.00 114.18 3mjw n LEU 752 Ca 0.14 -0.89 -0.04 0.00 -0.03 0.00 0.00 56.01 55.19 3mjw n LEU 752 Cb 0.14 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3mjw n LEU 752 CO 0.16 0.44 1.09 -0.94 -1.33 0.00 0.00 177.39 176.82 3mjw s SER 753 N -1.55 -0.12 0.00 -1.43 1.04 -1.10 -5.07 113.70 105.48 3mjw s SER 753 Ca 0.33 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.99 3mjw s SER 753 Cb 0.19 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3mjw s SER 753 CO 0.27 -0.05 0.00 0.00 0.98 0.00 0.00 173.24 174.45 3mjw n ALA 754 N 1.56 0.00 -1.63 5.32 0.00 -1.26 -4.85 120.51 119.65 3mjw n ALA 754 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 3mjw n ALA 754 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3mjw n ALA 754 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mjw n GLU 755 N -0.08 1.19 -0.95 0.00 1.02 -1.26 -1.13 120.64 119.43 3mjw n GLU 755 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3mjw n GLU 755 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 3mjw n GLU 755 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3mjw n LYS 756 N -0.55 -0.33 0.14 3.49 2.85 -1.26 -4.88 118.16 117.61 3mjw n LYS 756 Ca 0.11 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 3mjw n LYS 756 Cb 0.44 -3.35 0.12 0.00 -0.65 0.00 0.00 35.03 31.60 3mjw n LYS 756 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 3mjw h TYR 757 N 0.00 0.00 0.00 5.58 3.20 -1.51 -3.48 116.97 120.76 3mjw h TYR 757 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3mjw h TYR 757 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3mjw h TYR 757 CO 0.11 0.61 0.00 -3.47 -1.64 0.00 0.00 178.16 173.76 3mjw n ASP 758 N -3.49 0.00 -3.69 -2.11 4.64 -1.26 -4.41 116.55 106.23 3mjw n ASP 758 Ca 0.00 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.31 3mjw n ASP 758 Cb 0.68 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.66 3mjw n ASP 758 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3mjw s VAL 759 N 0.00 -0.10 0.20 5.18 1.01 -1.26 -4.84 120.40 120.58 3mjw s VAL 759 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.17 3mjw s VAL 759 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3mjw s VAL 759 CO 0.00 0.04 -0.09 -0.55 0.00 0.00 0.00 175.10 174.50 3mjw s SER 760 N 1.57 4.22 0.00 3.32 0.15 -1.26 -5.04 113.70 116.66 3mjw s SER 760 Ca -0.09 -0.62 0.30 0.00 0.70 0.00 0.00 55.95 56.24 3mjw s SER 760 Cb -0.09 -0.70 1.72 0.00 -1.71 0.00 0.00 66.02 65.24 3mjw s SER 760 CO -0.13 0.09 2.10 -1.20 1.20 0.00 0.00 173.24 175.30 3mjw n SER 761 N -0.12 0.00 0.21 5.45 7.64 -1.26 -1.66 113.62 123.88 3mjw n SER 761 Ca -0.10 -0.73 0.05 0.00 1.01 0.00 0.00 58.87 59.10 3mjw n SER 761 Cb 0.56 -0.07 0.47 0.00 -1.01 0.00 0.00 64.21 64.15 3mjw n SER 761 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3mjw h GLN 762 N 0.00 0.00 0.09 1.43 4.20 -1.98 -0.94 115.11 117.91 3mjw h GLN 762 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3mjw h GLN 762 Cb 0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3mjw h GLN 762 CO 0.00 0.26 -0.75 0.28 -0.67 0.00 0.00 178.83 177.95 3mjw h VAL 763 N 0.00 1.46 0.00 -0.54 2.07 -1.74 -0.25 116.25 117.25 3mjw h VAL 763 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3mjw h VAL 763 Cb 0.48 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3mjw h VAL 763 CO 0.03 0.66 0.00 0.40 0.02 0.00 0.00 177.57 178.68 3mjw h ILE 764 N -0.57 0.00 0.04 4.57 5.03 -1.47 0.46 117.51 125.57 3mjw h ILE 764 Ca -0.15 -0.01 -0.37 0.00 -0.12 0.00 0.00 64.86 64.22 3mjw h ILE 764 Cb 1.48 0.67 -0.05 0.00 -3.03 0.00 0.00 36.82 35.89 3mjw h ILE 764 CO 0.07 0.00 -2.08 -0.24 -0.68 0.00 0.00 178.15 175.22 3mjw n SER 765 N -2.54 1.99 -0.09 1.72 2.88 -0.36 -3.86 113.62 113.35 3mjw n SER 765 Ca -0.02 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.61 3mjw n SER 765 Cb 0.05 -0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 62.72 3mjw n SER 765 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3mjw h GLN 766 N -0.43 0.46 0.18 -1.46 1.08 -0.13 -1.97 115.11 112.84 3mjw h GLN 766 Ca -0.51 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 56.57 3mjw h GLN 766 Cb 1.74 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.11 3mjw h GLN 766 CO -0.14 0.53 -0.09 1.25 -0.95 0.00 0.00 178.83 179.44 3mjw h LEU 767 N 0.30 -0.20 0.00 1.46 7.12 -0.34 -0.79 115.31 122.86 3mjw h LEU 767 Ca 0.09 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.07 3mjw h LEU 767 Cb 0.28 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3mjw h LEU 767 CO 0.00 -0.10 0.00 0.29 -0.13 0.00 0.00 178.44 178.50 3mjw n LYS 768 N -5.17 0.74 -0.03 1.25 5.02 -1.22 -1.80 118.16 116.95 3mjw n LYS 768 Ca -0.09 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.21 3mjw n LYS 768 Cb 0.14 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 3mjw n LYS 768 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mjw n GLN 769 N -0.65 1.09 0.04 1.97 6.02 -0.63 -4.55 117.38 120.67 3mjw n GLN 769 Ca 0.05 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.85 3mjw n GLN 769 Cb 0.02 -1.34 -0.14 0.00 1.02 0.00 0.00 30.24 29.81 3mjw n GLN 769 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3mjw h LYS 770 N 0.00 0.12 0.00 -1.09 1.57 -0.38 -3.20 116.57 113.60 3mjw h LYS 770 Ca -0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3mjw h LYS 770 Cb 1.21 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3mjw h LYS 770 CO 0.01 0.93 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 3mjw n LEU 771 N -3.33 0.00 -0.05 2.94 4.77 -0.95 -2.29 117.00 118.09 3mjw n LEU 771 Ca -0.12 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3mjw n LEU 771 Cb 1.02 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3mjw n LEU 771 CO 0.48 -0.20 -0.03 -0.33 -1.33 0.00 0.00 177.39 175.99 3mjw h GLU 772 N 0.00 0.00 -0.96 3.23 4.39 -1.79 -2.69 114.58 116.76 3mjw h GLU 772 Ca 0.00 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 3mjw h GLU 772 Cb 0.07 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.54 3mjw h GLU 772 CO 0.00 0.06 0.12 0.09 -1.16 0.00 0.00 179.01 178.11 3mjw n ASN 773 N -4.75 -0.03 0.13 1.42 4.13 -0.97 -0.62 115.26 114.57 3mjw n ASN 773 Ca -0.02 1.63 -0.11 0.00 1.68 0.00 0.00 54.58 57.76 3mjw n ASN 773 Cb 0.06 -0.63 -0.07 0.00 -1.54 0.00 0.00 39.78 37.61 3mjw n ASN 773 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3mjw h LEU 774 N 0.00 -0.33 -0.76 3.41 3.38 -1.70 -2.55 115.31 116.76 3mjw h LEU 774 Ca 0.63 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.58 3mjw h LEU 774 Cb 1.38 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.09 3mjw h LEU 774 CO -0.87 0.14 0.08 1.56 0.09 0.00 0.00 178.44 179.44 3mjw h GLN 775 N -0.94 0.15 -0.03 1.13 1.08 -0.56 -0.25 115.11 115.70 3mjw h GLN 775 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3mjw h GLN 775 Cb 0.50 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3mjw h GLN 775 CO 0.07 0.10 0.00 0.09 -0.95 0.00 0.00 178.83 178.14 3mjw n ASN 776 N -5.28 2.60 0.07 1.46 3.02 0.21 -4.75 115.26 112.59 3mjw n ASN 776 Ca 0.15 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 3mjw n ASN 776 Cb 0.49 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3mjw n ASN 776 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3mjw n SER 777 N 1.04 0.12 -0.08 6.41 3.41 -0.76 -5.05 113.62 118.71 3mjw n SER 777 Ca 0.15 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 3mjw n SER 777 Cb 0.53 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3mjw n SER 777 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mjw n GLN 778 N -3.06 0.49 -1.52 4.33 3.00 -0.42 -4.91 117.38 115.29 3mjw n GLN 778 Ca 0.00 0.44 -0.59 0.00 -0.01 0.00 0.00 57.00 56.84 3mjw n GLN 778 Cb 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 30.24 28.52 3mjw n GLN 778 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3mjw n LEU 779 N -4.53 1.61 -4.41 1.08 0.00 -0.24 -4.88 117.00 105.63 3mjw n LEU 779 Ca -0.15 0.83 -0.35 0.00 0.00 0.00 0.00 56.01 56.34 3mjw n LEU 779 Cb 0.42 -1.04 0.08 0.00 0.00 0.00 0.00 43.42 42.88 3mjw n LEU 779 CO 0.14 -0.68 -0.11 -2.65 0.00 0.00 0.00 177.39 174.09 3mjw n PRO 780 N 6.38 0.05 0.07 1.96 -0.02 -1.26 -4.84 135.00 137.34 3mjw n PRO 780 Ca 0.39 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 3mjw n PRO 780 Cb 0.06 -1.76 0.52 0.00 -0.02 0.00 0.00 33.50 32.30 3mjw n PRO 780 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mjw h GLU 781 N -0.85 0.32 -2.06 -0.52 9.09 -1.94 -3.43 114.58 115.19 3mjw h GLU 781 Ca -0.44 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 58.94 3mjw h GLU 781 Cb 1.32 -0.07 -0.21 0.00 -1.65 0.00 0.00 28.75 28.14 3mjw h GLU 781 CO 0.38 0.21 0.03 0.45 0.05 0.00 0.00 179.01 180.12 3mjw s SER 782 N -6.70 -0.85 0.02 3.06 0.15 -1.26 -3.90 113.70 104.22 3mjw s SER 782 Ca -0.07 1.44 0.04 0.00 0.70 0.00 0.00 55.95 58.06 3mjw s SER 782 Cb 0.18 1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 65.83 3mjw s SER 782 CO 0.72 -0.24 -0.12 0.72 1.20 0.00 0.00 173.24 175.52 3mjw s PHE 783 N 1.23 1.04 0.21 3.44 -0.71 0.39 -4.97 117.98 118.61 3mjw s PHE 783 Ca -0.07 -0.31 -0.30 0.00 -1.04 0.00 0.00 56.93 55.22 3mjw s PHE 783 Cb -0.05 -0.63 -0.08 0.00 -1.21 0.00 0.00 43.02 41.05 3mjw s PHE 783 CO -0.13 0.00 1.03 0.50 -1.34 0.00 0.00 175.22 175.28 3mjw s ARG 784 N -0.88 4.70 -0.16 1.99 3.52 -1.26 -1.31 118.95 125.55 3mjw s ARG 784 Ca 0.01 1.62 -0.29 0.00 -0.13 0.00 0.00 55.73 56.94 3mjw s ARG 784 Cb -0.07 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3mjw s ARG 784 CO 0.01 0.26 1.36 0.08 -0.81 0.00 0.00 175.30 176.19 3mjw s VAL 785 N -0.68 4.11 -0.37 7.11 1.01 -0.64 -4.80 120.40 126.15 3mjw s VAL 785 Ca 0.45 1.34 0.25 0.00 0.00 0.00 0.00 61.98 64.02 3mjw s VAL 785 Cb -0.28 -3.89 0.26 0.00 0.00 0.00 0.00 36.38 32.47 3mjw s VAL 785 CO 0.34 -0.15 1.75 1.55 0.00 0.00 0.00 175.10 178.59 3mjw h PRO 786 N 8.64 0.00 0.00 2.72 0.13 -1.94 -2.07 132.00 139.49 3mjw h PRO 786 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3mjw h PRO 786 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mjw h PRO 786 CO 0.97 0.00 -0.80 2.48 -0.23 0.00 0.00 178.00 180.42 3mjw n TYR 787 N -2.35 0.00 -3.43 1.56 0.18 -1.26 -4.75 117.16 107.11 3mjw n TYR 787 Ca 0.01 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.56 3mjw n TYR 787 Cb 0.22 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.06 3mjw n TYR 787 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3mjw s ASP 788 N -2.58 2.27 0.30 9.48 -1.08 -0.80 -4.87 116.67 119.40 3mjw s ASP 788 Ca 0.06 -1.82 0.03 0.00 -0.52 0.00 0.00 52.55 50.30 3mjw s ASP 788 Cb 0.12 0.01 0.62 0.00 -1.46 0.00 0.00 42.92 42.21 3mjw s ASP 788 CO 0.67 -0.31 1.85 -0.65 0.52 0.00 0.00 175.17 177.25 3mjw h PRO 789 N 7.21 0.90 0.00 4.34 0.11 -1.80 -1.77 132.00 140.99 3mjw h PRO 789 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3mjw h PRO 789 Cb 1.01 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3mjw h PRO 789 CO 0.26 0.59 0.00 0.78 -0.21 0.00 0.00 178.00 179.42 3mjw h GLY 790 N 0.93 0.00 -7.53 -0.55 0.00 -1.90 -3.42 103.07 90.59 3mjw h GLY 790 Ca 0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 47.10 3mjw h GLY 790 CO -0.25 0.00 -0.45 1.08 0.00 0.00 0.00 176.54 176.92 3mjw s LEU 791 N -5.53 4.97 0.01 3.11 1.43 -0.66 -0.95 118.68 121.06 3mjw s LEU 791 Ca -0.00 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 3mjw s LEU 791 Cb 0.10 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 3mjw s LEU 791 CO 0.42 -0.42 0.59 -0.54 0.23 0.00 0.00 176.35 176.64 3mjw s LYS 792 N 1.66 4.29 -0.05 1.70 1.02 -1.26 -1.62 119.74 125.48 3mjw s LYS 792 Ca 0.05 0.73 0.06 0.00 0.02 0.00 0.00 55.97 56.83 3mjw s LYS 792 Cb -0.19 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 3mjw s LYS 792 CO 0.09 0.43 -0.25 0.00 -0.92 0.00 0.00 175.35 174.70 3mjw s ALA 793 N -0.38 2.14 0.00 5.17 0.00 -0.43 -2.86 121.76 125.39 3mjw s ALA 793 Ca 0.30 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3mjw s ALA 793 Cb -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3mjw s ALA 793 CO 0.17 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.77 3mjw n GLY 794 N 2.88 0.92 3.60 0.00 0.00 -0.04 -0.46 105.19 112.09 3mjw n GLY 794 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3mjw n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjw n ALA 795 N -3.00 -0.85 -1.92 4.61 0.00 -1.25 -4.70 120.51 113.39 3mjw n ALA 795 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 3mjw n ALA 795 Cb 0.00 -2.09 0.10 0.00 0.00 0.00 0.00 19.45 17.46 3mjw n ALA 795 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mjw s LEU 796 N -3.84 2.70 -0.57 0.00 1.43 -1.26 -1.35 118.68 115.79 3mjw s LEU 796 Ca 0.68 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 3mjw s LEU 796 Cb -0.28 -2.98 0.27 0.00 0.03 0.00 0.00 46.19 43.23 3mjw s LEU 796 CO 0.56 -1.89 0.75 0.00 0.23 0.00 0.00 176.35 176.00 3mjw n ALA 797 N -3.18 3.83 -0.33 4.21 0.00 -0.14 -4.60 120.51 120.30 3mjw n ALA 797 Ca 0.09 -4.48 0.15 0.00 0.00 0.00 0.00 53.44 49.21 3mjw n ALA 797 Cb 0.60 -0.85 0.30 0.00 0.00 0.00 0.00 19.45 19.50 3mjw n ALA 797 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3mjw h ILE 798 N 2.84 0.07 -0.78 0.00 1.08 -1.96 0.32 117.51 119.07 3mjw h ILE 798 Ca 0.16 -0.01 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 3mjw h ILE 798 Cb 0.68 0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 3mjw h ILE 798 CO 0.76 0.01 0.51 -0.33 -0.69 0.00 0.00 178.15 178.41 3mjw h GLU 799 N 0.03 0.61 -0.67 2.37 3.07 -1.97 -2.09 114.58 115.94 3mjw h GLU 799 Ca 0.60 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3mjw h GLU 799 Cb 1.26 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3mjw h GLU 799 CO -0.87 0.41 0.00 1.63 -1.40 0.00 0.00 179.01 178.77 3mjw n LYS 800 N -4.51 2.60 -3.23 2.33 5.02 0.11 -4.81 118.16 115.68 3mjw n LYS 800 Ca 0.14 -2.49 -0.44 0.00 -2.02 0.00 0.00 58.31 53.50 3mjw n LYS 800 Cb 0.39 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3mjw n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mjw n LYS 802 N 5.84 1.31 -3.61 0.00 2.85 -1.16 -4.89 118.16 118.50 3mjw n LYS 802 Ca -0.10 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.87 3mjw n LYS 802 Cb 0.44 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.69 3mjw n LYS 802 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3mjw s VAL 803 N 0.99 0.80 -0.25 0.58 1.01 -1.26 -2.45 120.40 119.83 3mjw s VAL 803 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.67 3mjw s VAL 803 Cb 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 36.38 34.68 3mjw s VAL 803 CO 0.00 -0.90 0.93 0.23 0.00 0.00 0.00 175.10 175.37 3mjw n MET 804 N 3.96 0.00 -1.72 2.72 2.81 -1.02 -4.77 117.12 119.10 3mjw n MET 804 Ca 0.08 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.55 3mjw n MET 804 Cb 0.37 -0.94 -0.01 0.00 -0.71 0.00 0.00 33.22 31.93 3mjw n MET 804 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mjw n ALA 805 N 2.18 5.14 -2.54 3.04 0.00 -1.26 -4.46 120.51 122.61 3mjw n ALA 805 Ca 0.18 -3.81 -0.29 0.00 0.00 0.00 0.00 53.44 49.52 3mjw n ALA 805 Cb -0.02 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 3mjw n ALA 805 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mjw s SER 806 N 3.50 4.45 0.61 0.00 1.04 -1.26 -4.99 113.70 117.05 3mjw s SER 806 Ca 0.49 -1.44 0.32 0.00 0.48 0.00 0.00 55.95 55.79 3mjw s SER 806 Cb 0.13 0.59 1.78 0.00 0.10 0.00 0.00 66.02 68.63 3mjw s SER 806 CO -0.05 -1.08 2.12 0.11 0.98 0.00 0.00 173.24 175.31 3mjw h LYS 807 N 0.90 0.00 0.00 4.02 1.79 -1.99 -3.42 116.57 117.87 3mjw h LYS 807 Ca -0.39 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.05 3mjw h LYS 807 Cb 1.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 3mjw h LYS 807 CO 0.62 0.00 -0.02 0.36 -1.08 0.00 0.00 179.45 179.33 3mjw n LYS 808 N -3.54 0.84 -3.90 3.15 2.85 -1.26 -4.50 118.16 111.79 3mjw n LYS 808 Ca 0.00 -0.17 -0.32 0.00 -1.05 0.00 0.00 58.31 56.78 3mjw n LYS 808 Cb 0.29 0.10 -0.13 0.00 -0.65 0.00 0.00 35.03 34.64 3mjw n LYS 808 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3mjw s LYS 809 N -2.07 2.02 0.28 -1.58 -0.14 -1.26 -4.80 119.74 112.19 3mjw s LYS 809 Ca 0.01 -2.44 0.04 0.00 -1.36 0.00 0.00 55.97 52.22 3mjw s LYS 809 Cb 0.00 -3.40 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 3mjw s LYS 809 CO 0.01 -1.09 0.42 -1.25 -0.76 0.00 0.00 175.35 172.68 3mjw s PRO 810 N 0.03 3.40 0.10 -1.68 0.05 -1.26 -4.54 135.00 131.09 3mjw s PRO 810 Ca 0.15 -0.69 0.02 0.00 0.05 0.00 0.00 61.00 60.53 3mjw s PRO 810 Cb -0.23 -2.82 -0.04 0.00 0.05 0.00 0.00 34.50 31.46 3mjw s PRO 810 CO -0.02 0.30 0.21 -0.51 0.05 0.00 0.00 177.00 177.03 3mjw s LEU 811 N -4.09 4.23 -0.76 -3.56 1.43 0.51 -2.43 118.68 114.00 3mjw s LEU 811 Ca 0.37 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3mjw s LEU 811 Cb -0.09 -2.83 0.21 0.00 0.03 0.00 0.00 46.19 43.50 3mjw s LEU 811 CO 0.31 0.12 0.67 1.87 0.23 0.00 0.00 176.35 179.55 3mjw n TRP 812 N -0.01 3.57 -3.24 0.29 -0.00 -1.02 -3.08 117.44 113.94 3mjw n TRP 812 Ca -0.06 -4.17 -0.37 0.00 -0.00 0.00 0.00 57.50 52.90 3mjw n TRP 812 Cb 0.52 -0.78 -0.06 0.00 -0.00 0.00 0.00 31.31 31.00 3mjw n TRP 812 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3mjw s LEU 813 N -1.72 4.40 0.01 5.87 1.02 -0.47 -2.97 118.68 124.82 3mjw s LEU 813 Ca 0.29 1.26 0.03 0.00 0.02 0.00 0.00 54.13 55.73 3mjw s LEU 813 Cb -0.01 -3.27 -0.01 0.00 0.02 0.00 0.00 46.19 42.92 3mjw s LEU 813 CO -0.12 0.13 -0.11 -1.61 0.02 0.00 0.00 176.35 174.67 3mjw s GLU 814 N -1.70 0.83 0.14 1.70 2.02 -1.26 -0.91 118.70 119.52 3mjw s GLU 814 Ca 0.37 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.94 3mjw s GLU 814 Cb -0.17 -0.79 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 3mjw s GLU 814 CO 0.20 0.21 -0.17 -0.06 0.02 0.00 0.00 175.26 175.46 3mjw s PHE 815 N -0.47 1.66 -0.08 1.61 0.40 -0.21 -0.96 117.98 119.92 3mjw s PHE 815 Ca 0.02 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 3mjw s PHE 815 Cb -0.05 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 3mjw s PHE 815 CO 0.00 0.25 0.57 0.15 0.70 0.00 0.00 175.22 176.89 3mjw s LYS 816 N -2.63 4.36 -0.10 0.44 1.02 -0.45 -1.31 119.74 121.06 3mjw s LYS 816 Ca 0.12 0.64 -0.29 0.00 0.02 0.00 0.00 55.97 56.46 3mjw s LYS 816 Cb -0.06 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.77 3mjw s LYS 816 CO 0.05 0.18 2.10 0.00 -0.92 0.00 0.00 175.35 176.76 3mjw n ALA 818 N 9.77 1.96 -3.23 0.00 0.00 -1.14 -4.61 120.51 123.26 3mjw n ALA 818 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 3mjw n ALA 818 Cb 0.43 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 3mjw n ALA 818 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mjw s ASP 819 N -1.23 4.87 0.25 0.00 -1.08 -1.26 -4.92 116.67 113.30 3mjw s ASP 819 Ca 0.00 -0.42 -0.04 0.00 -0.52 0.00 0.00 52.55 51.57 3mjw s ASP 819 Cb 0.00 -1.85 0.38 0.00 -1.46 0.00 0.00 42.92 39.99 3mjw s ASP 819 CO 0.00 -0.08 1.84 -0.65 0.52 0.00 0.00 175.17 176.81 3mjw h PRO 820 N 8.20 0.93 -0.96 4.34 0.11 -1.96 -2.95 132.00 139.70 3mjw h PRO 820 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3mjw h PRO 820 Cb 1.16 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3mjw h PRO 820 CO 0.59 0.61 0.00 0.25 -0.21 0.00 0.00 178.00 179.25 3mjw n THR 821 N -4.64 0.22 -1.76 -1.15 -2.24 -1.26 -4.89 114.28 98.56 3mjw n THR 821 Ca 0.14 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3mjw n THR 821 Cb 0.22 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 3mjw n THR 821 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mjw s ALA 822 N -1.14 3.85 0.35 6.98 0.00 -1.12 -3.21 121.76 127.47 3mjw s ALA 822 Ca 0.04 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.58 3mjw s ALA 822 Cb 0.03 -3.70 0.77 0.00 0.00 0.00 0.00 23.12 20.22 3mjw s ALA 822 CO 0.01 -1.00 1.89 -0.07 0.00 0.00 0.00 175.76 176.59 3mjw h LEU 823 N 7.41 0.69 0.00 0.00 4.07 -1.90 -3.45 115.31 122.12 3mjw h LEU 823 Ca -0.44 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.55 3mjw h LEU 823 Cb 1.21 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.84 3mjw h LEU 823 CO 0.95 0.37 0.00 -1.54 -1.08 0.00 0.00 178.44 177.14 3mjw n SER 824 N -4.54 0.00 -4.11 -0.43 3.41 -1.26 -5.15 113.62 101.54 3mjw n SER 824 Ca 0.16 -0.39 -0.31 0.00 -0.26 0.00 0.00 58.87 58.07 3mjw n SER 824 Cb 0.40 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 3mjw n SER 824 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mjw s ASN 825 N 0.27 2.84 -0.30 4.04 -0.87 -1.26 -5.07 114.94 114.59 3mjw s ASN 825 Ca 0.00 -0.54 -0.11 0.00 -1.57 0.00 0.00 52.86 50.65 3mjw s ASN 825 Cb 0.00 -1.30 0.18 0.00 -0.02 0.00 0.00 41.25 40.11 3mjw s ASN 825 CO 0.00 0.03 0.92 -0.70 -2.57 0.00 0.00 177.10 174.78 3mjw s GLU 826 N 1.02 0.31 0.90 -0.60 2.56 -1.26 -5.17 118.70 116.47 3mjw s GLU 826 Ca -0.04 0.62 -0.10 0.00 0.00 0.00 0.00 54.97 55.45 3mjw s GLU 826 Cb -0.15 0.35 0.14 0.00 2.00 0.00 0.00 34.13 36.48 3mjw s GLU 826 CO -0.04 -0.27 1.14 0.95 -0.56 0.00 0.00 175.26 176.47 3mjw s THR 827 N 2.80 2.16 -0.32 -1.70 -4.23 -1.26 -4.80 115.64 108.29 3mjw s THR 827 Ca 0.03 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 3mjw s THR 827 Cb -0.10 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 3mjw s THR 827 CO -0.15 -0.07 0.21 -0.63 -0.54 0.00 0.00 174.62 173.45 3mjw s ILE 828 N -2.67 5.18 -0.26 2.99 1.01 -0.42 -4.82 121.20 122.20 3mjw s ILE 828 Ca 0.66 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 3mjw s ILE 828 Cb -0.22 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3mjw s ILE 828 CO 0.58 0.06 0.15 -0.83 0.00 0.00 0.00 174.94 174.90 3mjw s GLY 829 N 1.71 1.90 0.03 6.18 0.00 -1.26 -1.05 107.32 114.83 3mjw s GLY 829 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.73 3mjw s GLY 829 CO 0.10 0.57 0.05 -0.42 0.00 0.00 0.00 173.10 173.40 3mjw s ILE 830 N 1.58 4.48 -0.37 0.90 -1.09 -0.09 -1.22 121.20 125.39 3mjw s ILE 830 Ca 0.07 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 3mjw s ILE 830 Cb -0.15 -3.08 0.11 0.00 -1.58 0.00 0.00 42.46 37.76 3mjw s ILE 830 CO 0.08 0.27 0.10 -0.63 -1.23 0.00 0.00 174.94 173.54 3mjw s ILE 831 N -1.23 2.53 -0.17 2.92 1.01 -0.35 -1.37 121.20 124.53 3mjw s ILE 831 Ca 0.24 -2.38 -0.29 0.00 0.00 0.00 0.00 60.65 58.22 3mjw s ILE 831 Cb -0.12 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 3mjw s ILE 831 CO 0.16 -0.64 1.10 -0.36 0.00 0.00 0.00 174.94 175.20 3mjw s PHE 832 N 0.83 3.25 -0.01 3.97 0.40 -1.18 -1.62 117.98 123.63 3mjw s PHE 832 Ca 0.11 1.37 0.04 0.00 -0.60 0.00 0.00 56.93 57.84 3mjw s PHE 832 Cb -0.20 -3.32 -0.01 0.00 0.51 0.00 0.00 43.02 40.00 3mjw s PHE 832 CO -0.07 -0.79 -0.12 0.21 0.70 0.00 0.00 175.22 175.15 3mjw s LYS 833 N 2.92 1.01 0.04 0.44 2.20 -0.68 -0.36 119.74 125.30 3mjw s LYS 833 Ca 0.49 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.74 3mjw s LYS 833 Cb -0.18 -0.97 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 3mjw s LYS 833 CO 0.12 0.26 -0.23 -1.58 -0.36 0.00 0.00 175.35 173.56 3mjw s HIS 834 N -0.27 2.06 0.00 4.03 5.65 -1.26 -1.96 115.29 123.54 3mjw s HIS 834 Ca 0.04 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 54.96 3mjw s HIS 834 Cb -0.05 -1.24 0.00 0.00 -1.18 0.00 0.00 32.58 30.11 3mjw s HIS 834 CO -0.00 0.09 0.00 0.41 -0.65 0.00 0.00 174.74 174.59 3mjw n GLY 835 N 1.91 0.99 3.78 1.59 0.00 0.13 -4.68 105.19 108.90 3mjw n GLY 835 Ca -0.17 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 3mjw n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mjw s ASP 836 N -0.72 5.29 -0.47 1.61 1.01 -1.24 -5.01 116.67 117.14 3mjw s ASP 836 Ca 0.00 -0.32 -0.17 0.00 0.71 0.00 0.00 52.55 52.77 3mjw s ASP 836 Cb 0.00 -1.28 0.05 0.00 1.01 0.00 0.00 42.92 42.70 3mjw s ASP 836 CO 0.00 -0.01 0.49 -0.62 0.21 0.00 0.00 175.17 175.24 3mjw s ASP 837 N -3.64 6.19 0.00 0.27 2.15 -1.26 -3.62 116.67 116.75 3mjw s ASP 837 Ca 0.32 -0.95 0.24 0.00 0.43 0.00 0.00 52.55 52.59 3mjw s ASP 837 Cb -0.08 -2.23 1.25 0.00 -0.30 0.00 0.00 42.92 41.55 3mjw s ASP 837 CO 0.23 -0.71 1.82 0.18 -0.17 0.00 0.00 175.17 176.53 3mjw n LEU 838 N 5.68 0.50 0.22 -1.34 4.32 -1.26 -3.07 117.00 122.05 3mjw n LEU 838 Ca -0.09 -0.19 0.13 0.00 -0.02 0.00 0.00 56.01 55.84 3mjw n LEU 838 Cb 0.46 -0.02 0.23 0.00 -1.62 0.00 0.00 43.42 42.47 3mjw n LEU 838 CO 0.49 0.10 0.83 0.03 -1.22 0.00 0.00 177.39 177.62 3mjw h ARG 839 N 0.71 0.00 0.05 3.23 3.08 -1.95 -1.79 114.38 117.71 3mjw h ARG 839 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3mjw h ARG 839 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3mjw h ARG 839 CO 0.00 0.00 -1.33 1.96 -1.07 0.00 0.00 179.97 179.53 3mjw h GLN 840 N 0.00 0.10 0.45 0.04 4.20 -1.82 -3.24 115.11 114.85 3mjw h GLN 840 Ca 0.00 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3mjw h GLN 840 Cb 0.94 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3mjw h GLN 840 CO 0.00 0.94 -0.22 -0.44 -0.67 0.00 0.00 178.83 178.45 3mjw h ASP 841 N 0.03 -0.52 -0.96 1.46 5.19 -1.67 -2.87 116.42 117.08 3mjw h ASP 841 Ca -0.15 -0.09 0.19 0.00 -0.62 0.00 0.00 57.03 56.36 3mjw h ASP 841 Cb 1.91 0.13 -0.18 0.00 0.18 0.00 0.00 39.33 41.38 3mjw h ASP 841 CO 0.13 -0.18 -0.25 0.23 -3.12 0.00 0.00 179.24 176.05 3mjw n MET 842 N -5.25 -0.10 -0.07 3.56 2.81 -0.68 -0.98 117.12 116.42 3mjw n MET 842 Ca -0.11 1.50 -0.09 0.00 -1.81 0.00 0.00 57.70 57.20 3mjw n MET 842 Cb 0.30 -2.24 -0.02 0.00 -0.71 0.00 0.00 33.22 30.55 3mjw n MET 842 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3mjw h LEU 843 N 0.00 0.22 -0.31 4.03 4.07 -1.57 -0.66 115.31 121.09 3mjw h LEU 843 Ca 0.45 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.34 3mjw h LEU 843 Cb 0.69 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 3mjw h LEU 843 CO -0.99 0.16 -0.12 0.40 -1.08 0.00 0.00 178.44 176.82 3mjw h ILE 844 N 0.29 1.29 -0.64 1.22 1.08 -0.88 -2.21 117.51 117.66 3mjw h ILE 844 Ca 0.10 -1.19 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 3mjw h ILE 844 Cb 0.01 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 3mjw h ILE 844 CO -0.06 0.38 0.42 -0.07 -0.69 0.00 0.00 178.15 178.14 3mjw h LEU 845 N 0.39 0.69 -0.41 1.44 -0.00 -0.94 -0.57 115.31 115.90 3mjw h LEU 845 Ca 0.07 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.78 3mjw h LEU 845 Cb 0.63 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 3mjw h LEU 845 CO 0.04 0.49 -0.43 -0.61 -0.00 0.00 0.00 178.44 177.92 3mjw h GLN 846 N 0.81 0.86 -0.23 1.13 5.75 -0.91 -2.37 115.11 120.15 3mjw h GLN 846 Ca 0.24 -0.48 -0.11 0.00 -0.15 0.00 0.00 58.65 58.15 3mjw h GLN 846 Cb -0.01 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3mjw h GLN 846 CO -0.06 1.12 -0.34 0.82 -2.65 0.00 0.00 178.83 177.72 3mjw h ILE 847 N 0.69 1.29 -0.51 2.39 2.04 -1.02 -2.71 117.51 119.69 3mjw h ILE 847 Ca 0.05 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.51 3mjw h ILE 847 Cb 1.02 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3mjw h ILE 847 CO 0.10 0.45 0.26 -0.07 0.00 0.00 0.00 178.15 178.89 3mjw h LEU 848 N 0.41 0.37 -1.30 1.44 4.07 -0.90 -0.31 115.31 119.09 3mjw h LEU 848 Ca 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3mjw h LEU 848 Cb 0.79 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.46 3mjw h LEU 848 CO 0.06 0.25 0.33 0.03 -1.08 0.00 0.00 178.44 178.04 3mjw h ARG 849 N 0.50 0.81 -0.37 1.13 3.08 -1.27 -2.21 114.38 116.06 3mjw h ARG 849 Ca 0.22 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 3mjw h ARG 849 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3mjw h ARG 849 CO -0.16 0.59 -0.27 0.82 -1.07 0.00 0.00 179.97 179.89 3mjw h ILE 850 N 0.82 1.28 0.00 2.04 2.04 -1.01 -2.37 117.51 120.31 3mjw h ILE 850 Ca 0.21 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 3mjw h ILE 850 Cb 0.01 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3mjw h ILE 850 CO -0.04 0.46 -0.31 0.24 0.00 0.00 0.00 178.15 178.50 3mjw h MET 851 N 0.66 0.00 0.93 2.37 2.86 -0.68 -1.84 114.93 119.22 3mjw h MET 851 Ca 0.08 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3mjw h MET 851 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.46 3mjw h MET 851 CO 0.07 0.31 -0.45 0.93 1.06 0.00 0.00 176.91 178.83 3mjw h GLU 852 N 0.00 -1.20 -0.95 1.72 5.08 -1.03 -1.56 114.58 116.64 3mjw h GLU 852 Ca -0.00 0.08 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 3mjw h GLU 852 Cb 0.63 0.27 -0.12 0.00 0.50 0.00 0.00 28.75 30.03 3mjw h GLU 852 CO 0.04 -0.80 0.51 0.66 -1.00 0.00 0.00 179.01 178.42 3mjw h SER 853 N -1.33 0.58 0.62 1.42 4.64 -1.19 0.45 113.55 118.73 3mjw h SER 853 Ca -0.13 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3mjw h SER 853 Cb 0.96 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3mjw h SER 853 CO 0.21 0.13 -0.32 0.40 -0.87 0.00 0.00 176.83 176.37 3mjw h ILE 854 N 0.57 0.34 -0.19 0.95 2.04 -1.31 -2.14 117.51 117.77 3mjw h ILE 854 Ca 0.58 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.49 3mjw h ILE 854 Cb 1.02 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3mjw h ILE 854 CO -0.45 0.00 0.21 -0.50 0.00 0.00 0.00 178.15 177.40 3mjw h TRP 855 N -0.87 0.00 -0.19 1.37 6.55 0.15 -1.20 115.95 121.76 3mjw h TRP 855 Ca -0.08 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.56 3mjw h TRP 855 Cb 0.68 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 3mjw h TRP 855 CO -0.05 0.00 -0.66 1.49 -1.05 0.00 0.00 178.44 178.16 3mjw h GLU 856 N 0.00 0.73 0.00 0.49 4.81 0.25 0.43 114.58 121.30 3mjw h GLU 856 Ca 0.09 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3mjw h GLU 856 Cb 0.50 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 3mjw h GLU 856 CO -0.00 1.15 -0.11 1.79 -0.73 0.00 0.00 179.01 181.11 3mjw h THR 857 N 0.53 0.83 -0.48 0.32 1.35 -0.58 -1.82 112.91 113.06 3mjw h THR 857 Ca -0.02 -0.42 -0.15 0.00 -0.55 0.00 0.00 66.41 65.28 3mjw h THR 857 Cb 1.27 1.24 -0.09 0.00 -1.73 0.00 0.00 68.15 68.84 3mjw h THR 857 CO 0.14 0.11 0.10 -0.62 -0.25 0.00 0.00 175.52 174.99 3mjw n GLU 858 N -4.04 2.85 -3.73 4.72 1.02 -1.18 -4.98 120.64 115.29 3mjw n GLU 858 Ca -0.02 -3.03 -0.32 0.00 -0.02 0.00 0.00 57.16 53.77 3mjw n GLU 858 Cb 0.20 -1.98 0.03 0.00 -0.02 0.00 0.00 31.44 29.67 3mjw n GLU 858 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3mjw n SER 859 N -0.60 -5.22 -4.28 1.62 3.41 -0.69 -5.02 113.62 102.85 3mjw n SER 859 Ca 0.33 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.75 3mjw n SER 859 Cb 1.13 -2.94 -0.11 0.00 -0.26 0.00 0.00 64.21 62.04 3mjw n SER 859 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mjw s LEU 860 N -6.31 2.45 -0.33 1.04 1.02 0.15 -4.86 118.68 111.83 3mjw s LEU 860 Ca 0.39 -0.87 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 3mjw s LEU 860 Cb -0.16 -0.61 0.13 0.00 0.02 0.00 0.00 46.19 45.57 3mjw s LEU 860 CO 0.88 -0.14 0.22 -0.62 0.02 0.00 0.00 176.35 176.71 3mjw s ASP 861 N -2.70 2.78 0.00 2.29 -1.08 -1.26 -4.02 116.67 112.69 3mjw s ASP 861 Ca 0.13 -1.76 0.10 0.00 -0.52 0.00 0.00 52.55 50.50 3mjw s ASP 861 Cb -0.04 -0.19 0.36 0.00 -1.46 0.00 0.00 42.92 41.60 3mjw s ASP 861 CO 0.04 -0.34 1.28 0.18 0.52 0.00 0.00 175.17 176.84 3mjw n LEU 862 N 4.48 1.27 -3.99 -1.34 7.99 -1.26 -4.87 117.00 119.28 3mjw n LEU 862 Ca 0.06 -0.61 -0.35 0.00 -0.01 0.00 0.00 56.01 55.10 3mjw n LEU 862 Cb 0.40 -0.14 0.01 0.00 -0.11 0.00 0.00 43.42 43.58 3mjw n LEU 862 CO 0.10 0.31 -0.14 0.00 -1.51 0.00 0.00 177.39 176.14 3mjw s LEU 864 N -6.83 0.94 -0.45 0.00 1.43 -1.26 -4.50 118.68 108.01 3mjw s LEU 864 Ca 0.35 1.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 3mjw s LEU 864 Cb -0.19 -3.19 0.25 0.00 0.03 0.00 0.00 46.19 43.08 3mjw s LEU 864 CO 0.72 -3.87 0.58 -0.11 0.23 0.00 0.00 176.35 173.90 3mjw n LEU 865 N -4.67 1.10 -4.57 1.79 -0.00 -1.26 -5.04 117.00 104.35 3mjw n LEU 865 Ca 0.05 -4.89 -0.39 0.00 -0.00 0.00 0.00 56.01 50.79 3mjw n LEU 865 Cb 0.56 0.30 -0.02 0.00 -0.00 0.00 0.00 43.42 44.26 3mjw n LEU 865 CO 0.56 2.07 1.70 -2.16 -0.00 0.00 0.00 177.39 179.56 3mjw s PRO 866 N -1.51 3.51 0.85 1.96 0.04 -1.26 -4.90 135.00 133.69 3mjw s PRO 866 Ca 0.36 -1.46 -0.10 0.00 0.04 0.00 0.00 61.00 59.84 3mjw s PRO 866 Cb 0.16 -5.40 0.11 0.00 0.04 0.00 0.00 34.50 29.41 3mjw s PRO 866 CO -0.08 -2.62 1.12 1.52 0.04 0.00 0.00 177.00 176.98 3mjw s TYR 867 N 6.06 2.04 0.67 0.56 -0.85 -1.26 -4.99 117.35 119.58 3mjw s TYR 867 Ca 0.55 1.69 -0.16 0.00 -0.52 0.00 0.00 57.07 58.63 3mjw s TYR 867 Cb 0.01 -3.22 0.01 0.00 0.38 0.00 0.00 41.96 39.14 3mjw s TYR 867 CO 0.03 -2.37 1.19 0.20 -1.52 0.00 0.00 175.55 173.08 3mjw s GLY 868 N -2.97 2.46 -0.30 5.49 0.00 -1.26 -4.91 107.32 105.84 3mjw s GLY 868 Ca 0.64 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 46.13 3mjw s GLY 868 CO 0.57 1.27 1.00 0.00 0.00 0.00 0.00 173.10 175.94 3mjw s ILE 870 N 2.94 2.81 -0.26 0.00 -1.09 -0.80 -4.49 121.20 120.31 3mjw s ILE 870 Ca 0.05 -0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 57.48 3mjw s ILE 870 Cb -0.09 -2.08 -0.03 0.00 -1.58 0.00 0.00 42.46 38.68 3mjw s ILE 870 CO -0.14 0.59 0.51 -0.55 -1.23 0.00 0.00 174.94 174.12 3mjw s SER 871 N -0.69 6.44 -0.19 3.58 0.15 -1.26 -1.60 113.70 120.13 3mjw s SER 871 Ca 0.11 0.53 -0.09 0.00 0.70 0.00 0.00 55.95 57.19 3mjw s SER 871 Cb -0.11 -2.28 -0.21 0.00 -1.71 0.00 0.00 66.02 61.72 3mjw s SER 871 CO 0.00 -0.27 0.12 0.35 1.20 0.00 0.00 173.24 174.64 3mjw n THR 872 N 5.09 1.64 -3.23 6.45 -2.24 -0.73 -4.34 114.28 116.92 3mjw n THR 872 Ca -0.04 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3mjw n THR 872 Cb 0.50 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 3mjw n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mjw n GLY 873 N 1.84 3.86 3.66 3.38 0.00 -0.64 -4.75 105.19 112.55 3mjw n GLY 873 Ca -0.38 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3mjw n GLY 873 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mjw s ASP 874 N 0.03 6.64 -2.03 1.61 2.15 -1.26 -2.81 116.67 121.00 3mjw s ASP 874 Ca 0.00 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.29 3mjw s ASP 874 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3mjw s ASP 874 CO 0.00 -0.94 0.00 0.29 -0.17 0.00 0.00 175.17 174.35 3mjw n LYS 875 N 7.10 -1.54 -3.78 4.34 4.76 -1.26 -4.90 118.16 122.88 3mjw n LYS 875 Ca 0.18 1.13 -0.13 0.00 -2.87 0.00 0.00 58.31 56.62 3mjw n LYS 875 Cb 0.42 -5.61 -0.11 0.00 -1.84 0.00 0.00 35.03 27.89 3mjw n LYS 875 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3mjw s ILE 876 N -2.82 0.01 -0.08 -0.18 2.07 -1.12 -0.69 121.20 118.37 3mjw s ILE 876 Ca 0.00 -0.05 -0.32 0.00 -1.41 0.00 0.00 60.65 58.87 3mjw s ILE 876 Cb 0.00 -0.39 0.13 0.00 0.13 0.00 0.00 42.46 42.33 3mjw s ILE 876 CO 0.00 -0.03 1.41 -0.83 -1.91 0.00 0.00 174.94 173.58 3mjw s GLY 877 N -0.00 -0.42 0.09 1.50 0.00 -0.83 -1.62 107.32 106.04 3mjw s GLY 877 Ca -0.01 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.46 3mjw s GLY 877 CO 0.01 1.89 0.09 -3.16 0.00 0.00 0.00 173.10 171.93 3mjw s MET 878 N -2.06 2.92 0.13 2.90 0.23 -0.63 -1.69 119.30 121.11 3mjw s MET 878 Ca 0.19 -0.69 0.09 0.00 -1.03 0.00 0.00 55.69 54.26 3mjw s MET 878 Cb 0.05 -2.74 -0.04 0.00 -1.53 0.00 0.00 34.83 30.57 3mjw s MET 878 CO -0.05 0.56 -0.21 0.42 -2.03 0.00 0.00 175.02 173.71 3mjw s ILE 879 N -1.42 1.88 -0.17 3.16 1.09 -0.64 -1.91 121.20 123.19 3mjw s ILE 879 Ca 0.30 -1.73 -0.23 0.00 -1.10 0.00 0.00 60.65 57.89 3mjw s ILE 879 Cb -0.12 -1.75 -0.02 0.00 -1.06 0.00 0.00 42.46 39.50 3mjw s ILE 879 CO 0.23 -0.12 0.71 -0.70 -0.10 0.00 0.00 174.94 174.96 3mjw s GLU 880 N -2.26 4.27 -0.48 2.79 2.12 -0.80 -1.21 118.70 123.13 3mjw s GLU 880 Ca 0.11 0.80 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 3mjw s GLU 880 Cb -0.09 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.77 3mjw s GLU 880 CO 0.06 -0.23 1.29 0.42 -0.54 0.00 0.00 175.26 176.25 3mjw s ILE 881 N 1.85 4.00 0.18 -3.70 1.01 -0.35 -4.74 121.20 119.44 3mjw s ILE 881 Ca 0.33 0.98 -0.32 0.00 0.00 0.00 0.00 60.65 61.65 3mjw s ILE 881 Cb -0.16 -4.46 -0.11 0.00 0.01 0.00 0.00 42.46 37.74 3mjw s ILE 881 CO 0.12 -1.00 1.63 -0.69 0.00 0.00 0.00 174.94 175.00 3mjw s VAL 882 N 5.14 2.40 0.28 2.92 1.01 -1.26 -4.72 120.40 126.16 3mjw s VAL 882 Ca 0.53 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 3mjw s VAL 882 Cb -0.10 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3mjw s VAL 882 CO 0.30 0.02 1.04 -0.54 0.00 0.00 0.00 175.10 175.92 3mjw s LYS 883 N 1.16 4.67 -1.53 2.72 3.01 -1.26 -3.83 119.74 124.69 3mjw s LYS 883 Ca 0.72 1.66 -0.04 0.00 -1.01 0.00 0.00 55.97 57.30 3mjw s LYS 883 Cb -0.46 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.21 3mjw s LYS 883 CO 0.31 0.29 0.47 -0.25 0.51 0.00 0.00 175.35 176.69 3mjw n ASP 884 N 1.16 -5.88 -4.73 2.83 9.92 -1.26 -4.76 116.55 113.83 3mjw n ASP 884 Ca -0.01 -0.22 -0.29 0.00 -0.53 0.00 0.00 54.79 53.74 3mjw n ASP 884 Cb 0.46 -4.74 -0.07 0.00 -0.64 0.00 0.00 41.12 36.13 3mjw n ASP 884 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mjw s ALA 885 N -3.12 3.41 0.05 2.24 0.00 -1.25 -0.96 121.76 122.14 3mjw s ALA 885 Ca 0.23 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3mjw s ALA 885 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3mjw s ALA 885 CO 0.29 0.66 0.04 0.99 0.00 0.00 0.00 175.76 177.73 3mjw s THR 886 N -1.45 0.18 0.21 0.00 2.01 -0.63 -4.94 115.64 111.02 3mjw s THR 886 Ca 0.28 -1.47 -0.17 0.00 0.31 0.00 0.00 61.69 60.64 3mjw s THR 886 Cb -0.11 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.06 3mjw s THR 886 CO 0.20 -0.81 0.66 -0.89 -0.69 0.00 0.00 174.62 173.09 3mjw s THR 887 N -3.45 4.70 0.40 -0.82 2.01 -1.26 -0.60 115.64 116.62 3mjw s THR 887 Ca 0.02 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.14 3mjw s THR 887 Cb 0.04 -3.77 0.22 0.00 0.01 0.00 0.00 72.50 69.00 3mjw s THR 887 CO -0.08 0.15 2.00 0.40 -0.69 0.00 0.00 174.62 176.39 3mjw h ILE 888 N 2.60 1.13 0.31 1.82 2.04 -1.52 -0.97 117.51 122.93 3mjw h ILE 888 Ca -0.48 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3mjw h ILE 888 Cb 1.19 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3mjw h ILE 888 CO 0.66 0.16 -0.15 0.00 0.00 0.00 0.00 178.15 178.81 3mjw h ALA 889 N 1.70 -0.42 0.00 1.87 0.00 -1.76 -1.31 119.26 119.34 3mjw h ALA 889 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mjw h ALA 889 Cb 0.12 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mjw h ALA 889 CO -0.01 -0.67 0.00 1.63 0.00 0.00 0.00 179.25 180.21 3mjw n LYS 890 N -5.21 0.04 0.08 0.00 4.01 -1.07 -1.73 118.16 114.27 3mjw n LYS 890 Ca -0.10 0.40 -0.13 0.00 -0.51 0.00 0.00 58.31 57.97 3mjw n LYS 890 Cb 0.22 -1.59 -0.14 0.00 -0.51 0.00 0.00 35.03 33.02 3mjw n LYS 890 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 3mjw h ILE 891 N 0.00 1.45 -0.01 -0.18 2.04 -0.05 -3.30 117.51 117.45 3mjw h ILE 891 Ca 0.00 -3.08 0.00 0.00 1.00 0.00 0.00 64.86 62.78 3mjw h ILE 891 Cb 0.14 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3mjw h ILE 891 CO 0.00 0.88 -0.20 0.00 0.00 0.00 0.00 178.15 178.83 3mjw n GLN 892 N -3.44 1.35 -3.01 2.37 6.02 -0.71 -5.00 117.38 114.96 3mjw n GLN 892 Ca -0.08 -0.94 -0.33 0.00 -0.01 0.00 0.00 57.00 55.64 3mjw n GLN 892 Cb 1.01 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 3mjw n GLN 892 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3mjw n GLN 893 N -0.01 3.76 -0.25 -1.09 1.13 -0.98 -5.02 117.38 114.94 3mjw n GLN 893 Ca 0.14 -4.72 -0.01 0.00 -1.94 0.00 0.00 57.00 50.46 3mjw n GLN 893 Cb 0.41 -2.34 -0.02 0.00 0.11 0.00 0.00 30.24 28.40 3mjw n GLN 893 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3mjw n PHE 902 N 0.35 0.00 -4.42 1.08 3.01 -1.26 -5.01 117.46 111.21 3mjw n PHE 902 Ca 0.33 -0.44 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 3mjw n PHE 902 Cb 0.36 -0.49 -0.09 0.00 -0.01 0.00 0.00 39.48 39.24 3mjw n PHE 902 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3mjw s LYS 903 N 1.50 1.82 -0.25 -1.08 1.02 -1.26 -5.08 119.74 116.41 3mjw s LYS 903 Ca 0.07 -1.66 -0.05 0.00 0.02 0.00 0.00 55.97 54.35 3mjw s LYS 903 Cb 0.03 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.33 3mjw s LYS 903 CO 0.00 0.35 -0.27 -0.25 -0.92 0.00 0.00 175.35 174.26 3mjw n ASP 904 N -0.60 1.99 0.23 2.83 10.43 -1.26 -4.52 116.55 125.65 3mjw n ASP 904 Ca -0.06 0.06 0.16 0.00 2.57 0.00 0.00 54.79 57.52 3mjw n ASP 904 Cb 0.59 -0.55 0.69 0.00 1.84 0.00 0.00 41.12 43.69 3mjw n ASP 904 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3mjw h GLU 905 N -0.40 0.00 -0.85 -1.24 4.39 -1.93 -3.29 114.58 111.26 3mjw h GLU 905 Ca -0.60 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.25 3mjw h GLU 905 Cb 1.73 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.29 3mjw h GLU 905 CO -0.22 0.00 0.43 -0.39 -1.16 0.00 0.00 179.01 177.67 3mjw h VAL 906 N 0.00 0.72 -0.45 3.13 -1.51 -1.94 -2.02 116.25 114.18 3mjw h VAL 906 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3mjw h VAL 906 Cb 0.36 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.55 3mjw h VAL 906 CO 0.00 0.11 0.29 -0.07 -1.23 0.00 0.00 177.57 176.67 3mjw h LEU 907 N 0.61 0.53 -0.39 4.19 3.38 -1.84 -1.30 115.31 120.49 3mjw h LEU 907 Ca 0.46 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 3mjw h LEU 907 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3mjw h LEU 907 CO -0.37 0.40 0.10 0.78 0.09 0.00 0.00 178.44 179.44 3mjw h ASN 908 N 0.61 0.59 -0.58 -0.43 -0.26 -1.63 -1.26 115.58 112.62 3mjw h ASN 908 Ca 0.16 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.71 3mjw h ASN 908 Cb -0.04 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.02 3mjw h ASN 908 CO -0.03 0.67 0.34 0.45 -1.06 0.00 0.00 177.43 177.80 3mjw h HIS 909 N 0.49 0.64 -0.48 1.19 3.86 -1.29 -0.30 115.15 119.26 3mjw h HIS 909 Ca 0.12 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 3mjw h HIS 909 Cb 0.31 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3mjw h HIS 909 CO 0.02 0.35 -0.01 2.35 0.86 0.00 0.00 177.93 181.50 3mjw h TRP 910 N 0.67 0.94 0.24 2.45 7.01 -1.05 0.64 115.95 126.85 3mjw h TRP 910 Ca 0.24 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3mjw h TRP 910 Cb 0.06 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3mjw h TRP 910 CO -0.07 0.89 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.29 3mjw h LEU 911 N 0.71 -0.28 -1.00 0.65 3.38 -1.04 -2.23 115.31 115.51 3mjw h LEU 911 Ca 0.13 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3mjw h LEU 911 Cb 0.53 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3mjw h LEU 911 CO 0.03 -0.06 0.63 0.50 0.09 0.00 0.00 178.44 179.63 3mjw h LYS 912 N -0.50 1.03 -0.76 1.13 3.11 -0.98 0.12 116.57 119.72 3mjw h LYS 912 Ca -0.03 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3mjw h LYS 912 Cb 0.37 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 3mjw h LYS 912 CO 0.06 0.68 0.47 1.49 -2.81 0.00 0.00 179.45 179.34 3mjw h GLU 913 N 1.06 1.01 -0.01 1.90 4.81 -0.74 -2.35 114.58 120.26 3mjw h GLU 913 Ca 0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3mjw h GLU 913 Cb 0.35 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3mjw h GLU 913 CO -0.23 0.69 -0.23 1.63 -0.73 0.00 0.00 179.01 180.15 3mjw n LYS 914 N -4.40 1.14 -3.97 1.92 4.76 -0.35 -4.74 118.16 112.53 3mjw n LYS 914 Ca 0.08 -0.74 -0.34 0.00 -2.87 0.00 0.00 58.31 54.43 3mjw n LYS 914 Cb 0.05 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.61 3mjw n LYS 914 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3mjw s SER 915 N -2.37 4.49 0.04 4.39 0.01 0.26 -4.92 113.70 115.60 3mjw s SER 915 Ca 0.26 -1.08 -0.26 0.00 1.31 0.00 0.00 55.95 56.18 3mjw s SER 915 Cb 0.19 -1.66 -0.15 0.00 0.21 0.00 0.00 66.02 64.62 3mjw s SER 915 CO 0.48 -0.18 1.37 1.55 0.41 0.00 0.00 173.24 176.87 3mjw h PRO 916 N 7.97 -0.91 -6.14 12.44 0.13 -1.85 -3.44 132.00 140.19 3mjw h PRO 916 Ca -0.27 0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.29 3mjw h PRO 916 Cb 1.08 0.21 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 3mjw h PRO 916 CO 0.54 -0.61 -0.58 -0.08 -0.23 0.00 0.00 178.00 177.05 3mjw s THR 917 N -5.03 4.68 0.63 1.56 -1.32 -1.26 -4.97 115.64 109.93 3mjw s THR 917 Ca -0.14 -0.73 0.27 0.00 -1.21 0.00 0.00 61.69 59.88 3mjw s THR 917 Cb 0.01 -3.28 0.32 0.00 -1.51 0.00 0.00 72.50 68.04 3mjw s THR 917 CO 0.42 0.10 1.83 -0.33 -2.21 0.00 0.00 174.62 174.43 3mjw h GLU 918 N 3.15 0.00 0.17 7.08 4.39 -1.97 0.15 114.58 127.55 3mjw h GLU 918 Ca -0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 3mjw h GLU 918 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3mjw h GLU 918 CO 0.67 0.00 -0.08 0.93 -1.16 0.00 0.00 179.01 179.37 3mjw h GLU 919 N 0.00 -0.22 0.00 2.33 3.07 -1.98 0.08 114.58 117.86 3mjw h GLU 919 Ca 0.10 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3mjw h GLU 919 Cb 1.02 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3mjw h GLU 919 CO -0.00 0.19 0.00 0.36 -1.40 0.00 0.00 179.01 178.16 3mjw n LYS 920 N -4.93 0.64 -0.07 2.33 -0.00 0.28 -2.47 118.16 113.94 3mjw n LYS 920 Ca -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.15 3mjw n LYS 920 Cb 0.26 -1.24 -0.07 0.00 -0.00 0.00 0.00 35.03 33.97 3mjw n LYS 920 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3mjw n PHE 921 N -0.74 0.00 0.24 5.58 7.35 0.14 -4.05 117.46 125.99 3mjw n PHE 921 Ca 0.07 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.87 3mjw n PHE 921 Cb 0.03 -0.56 0.60 0.00 0.35 0.00 0.00 39.48 39.91 3mjw n PHE 921 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3mjw h GLN 922 N 0.00 0.00 0.01 -4.13 1.08 -0.65 -1.22 115.11 110.20 3mjw h GLN 922 Ca -0.32 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.69 3mjw h GLN 922 Cb 1.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 3mjw h GLN 922 CO -0.03 0.18 -0.88 0.00 -0.95 0.00 0.00 178.83 177.15 3mjw h ALA 923 N 1.82 0.52 0.00 3.87 0.00 -1.72 -1.98 119.26 121.78 3mjw h ALA 923 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3mjw h ALA 923 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mjw h ALA 923 CO 0.02 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.22 3mjw h ALA 924 N 1.00 1.00 0.00 0.00 0.00 -1.39 0.45 119.26 120.31 3mjw h ALA 924 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3mjw h ALA 924 Cb 1.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3mjw h ALA 924 CO 0.13 0.00 -1.85 0.28 0.00 0.00 0.00 179.25 177.81 3mjw n VAL 925 N -2.38 0.33 0.10 0.00 0.31 -0.80 -3.48 118.33 112.42 3mjw n VAL 925 Ca 0.02 -0.56 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 3mjw n VAL 925 Cb 0.28 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.03 3mjw n VAL 925 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3mjw h GLU 926 N 0.00 -0.31 -1.01 5.55 5.08 -0.51 -1.90 114.58 121.48 3mjw h GLU 926 Ca -0.07 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.56 3mjw h GLU 926 Cb 1.18 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 3mjw h GLU 926 CO 0.01 -0.21 0.65 -0.09 -1.00 0.00 0.00 179.01 178.37 3mjw h ARG 927 N -0.88 0.40 0.09 2.33 2.43 -0.36 0.27 114.38 118.66 3mjw h ARG 927 Ca -0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3mjw h ARG 927 Cb 0.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3mjw h ARG 927 CO 0.05 0.27 -0.04 0.35 -1.51 0.00 0.00 179.97 179.09 3mjw h PHE 928 N 0.41 -0.11 -0.76 2.20 3.57 -1.51 0.09 116.94 120.83 3mjw h PHE 928 Ca 0.57 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 62.01 3mjw h PHE 928 Cb 1.41 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 3mjw h PHE 928 CO -0.00 0.14 0.26 -0.39 -2.23 0.00 0.00 178.31 176.08 3mjw h VAL 929 N -0.34 1.26 0.64 1.41 -1.51 -0.17 0.18 116.25 117.72 3mjw h VAL 929 Ca -0.01 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.53 3mjw h VAL 929 Cb 0.29 0.40 0.01 0.00 -2.13 0.00 0.00 31.29 29.86 3mjw h VAL 929 CO 0.02 0.36 -0.31 1.88 -1.23 0.00 0.00 177.57 178.29 3mjw h TYR 930 N 1.13 -0.80 -0.69 5.19 0.99 -1.07 -2.03 116.97 119.70 3mjw h TYR 930 Ca 0.25 -0.02 0.11 0.00 2.00 0.00 0.00 58.73 61.07 3mjw h TYR 930 Cb 0.29 0.26 -0.04 0.00 1.00 0.00 0.00 36.73 38.23 3mjw h TYR 930 CO 0.02 -0.50 0.46 0.66 -0.00 0.00 0.00 178.16 178.80 3mjw h SER 931 N -0.97 0.47 -0.38 3.88 4.64 -0.85 -1.30 113.55 119.04 3mjw h SER 931 Ca -0.09 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 3mjw h SER 931 Cb 0.66 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3mjw h SER 931 CO 0.14 0.27 -0.12 0.00 -0.87 0.00 0.00 176.83 176.26 3mjw h ALA 933 N 0.82 0.40 -0.21 0.00 0.00 -0.54 -1.37 119.26 118.36 3mjw h ALA 933 Ca 0.09 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mjw h ALA 933 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mjw h ALA 933 CO 0.04 0.09 0.09 0.78 0.00 0.00 0.00 179.25 180.25 3mjw h GLY 934 N 0.33 0.26 2.00 0.00 0.00 -1.25 -1.32 103.07 103.09 3mjw h GLY 934 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3mjw h GLY 934 CO 0.00 0.04 -0.17 -0.97 0.00 0.00 0.00 176.54 175.45 3mjw h TYR 935 N 0.20 0.00 -0.01 5.60 -1.99 -1.34 0.13 116.97 119.56 3mjw h TYR 935 Ca 0.09 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.62 3mjw h TYR 935 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 3mjw h TYR 935 CO -0.11 0.17 -0.87 0.00 -0.00 0.00 0.00 178.16 177.35 3mjw h VAL 937 N 0.15 0.23 -0.91 0.00 2.07 -0.97 -2.90 116.25 113.93 3mjw h VAL 937 Ca -0.05 -1.18 0.25 0.00 0.82 0.00 0.00 66.70 66.53 3mjw h VAL 937 Cb 1.50 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 31.57 3mjw h VAL 937 CO 0.14 0.08 0.35 0.00 0.02 0.00 0.00 177.57 178.15 3mjw h ALA 938 N -0.87 1.45 -0.14 1.67 0.00 -0.90 -1.15 119.26 119.32 3mjw h ALA 938 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3mjw h ALA 938 Cb 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3mjw h ALA 938 CO -0.00 -0.44 -0.23 1.79 0.00 0.00 0.00 179.25 180.37 3mjw h THR 939 N 0.29 1.36 -0.36 0.00 1.35 -1.65 -3.01 112.91 110.90 3mjw h THR 939 Ca 0.59 -1.46 0.03 0.00 -0.55 0.00 0.00 66.41 65.01 3mjw h THR 939 Cb 1.20 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 3mjw h THR 939 CO -0.60 0.43 0.24 0.15 -0.25 0.00 0.00 175.52 175.49 3mjw h PHE 940 N 0.01 0.36 -0.13 4.73 3.57 -1.02 -1.28 116.94 123.18 3mjw h PHE 940 Ca 0.01 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.30 3mjw h PHE 940 Cb 0.80 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.43 3mjw h PHE 940 CO 0.10 0.21 -0.78 0.28 -2.23 0.00 0.00 178.31 175.89 3mjw h VAL 941 N 0.37 1.30 -0.00 1.41 2.07 -1.37 -3.15 116.25 116.87 3mjw h VAL 941 Ca 0.15 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3mjw h VAL 941 Cb 0.13 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3mjw h VAL 941 CO -0.03 0.63 -0.08 0.18 0.02 0.00 0.00 177.57 178.29 3mjw n LEU 942 N -3.91 0.49 -0.46 2.57 4.77 -0.92 -4.68 117.00 114.87 3mjw n LEU 942 Ca -0.07 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 3mjw n LEU 942 Cb 0.75 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3mjw n LEU 942 CO 0.52 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 177.22 3mjw n GLY 943 N 1.24 0.83 2.31 -0.72 0.00 -0.53 -4.91 105.19 103.41 3mjw n GLY 943 Ca 0.16 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 3mjw n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mjw n ILE 944 N -2.78 3.16 0.03 -0.61 -5.35 -0.99 -4.80 119.36 108.02 3mjw n ILE 944 Ca -0.06 -3.69 -0.11 0.00 -0.27 0.00 0.00 62.75 58.63 3mjw n ILE 944 Cb 0.22 -1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 36.87 3mjw n ILE 944 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3mjw h GLY 945 N 2.23 -0.17 -7.38 3.28 0.00 -1.73 -3.43 103.07 95.87 3mjw h GLY 945 Ca 0.50 0.06 -0.52 0.00 0.00 0.00 0.00 47.33 47.37 3mjw h GLY 945 CO 1.24 -0.06 1.28 -0.35 0.00 0.00 0.00 176.54 178.65 3mjw s ASP 946 N -5.59 5.53 0.52 0.19 -1.08 -1.25 -3.20 116.67 111.79 3mjw s ASP 946 Ca -0.13 0.30 0.03 0.00 -0.52 0.00 0.00 52.55 52.23 3mjw s ASP 946 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 3mjw s ASP 946 CO 0.48 -2.18 0.13 -0.13 0.52 0.00 0.00 175.17 173.99 3mjw s ARG 947 N 6.59 2.21 0.25 4.34 1.81 -1.26 -5.03 118.95 127.86 3mjw s ARG 947 Ca 0.62 -2.27 0.05 0.00 -1.72 0.00 0.00 55.73 52.41 3mjw s ARG 947 Cb -0.13 -1.72 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 3mjw s ARG 947 CO 0.21 -0.44 0.36 -1.58 -0.68 0.00 0.00 175.30 173.18 3mjw s HIS 948 N -2.84 3.43 0.38 -0.53 5.65 -1.26 -4.91 115.29 115.21 3mjw s HIS 948 Ca 0.15 -0.03 0.38 0.00 0.25 0.00 0.00 55.06 55.81 3mjw s HIS 948 Cb 0.00 -1.59 2.00 0.00 -1.18 0.00 0.00 32.58 31.81 3mjw s HIS 948 CO 0.09 0.41 2.16 -0.97 -0.65 0.00 0.00 174.74 175.78 3mjw h ASN 949 N 1.16 0.00 0.89 9.88 -0.73 -1.95 -1.79 115.58 123.05 3mjw h ASN 949 Ca -0.52 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 57.51 3mjw h ASN 949 Cb 1.23 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.80 3mjw h ASN 949 CO 0.60 0.00 -0.69 -0.78 -0.37 0.00 0.00 177.43 176.19 3mjw h ASP 950 N 0.00 0.00 -0.50 1.15 3.58 -1.95 -2.88 116.42 115.83 3mjw h ASP 950 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3mjw h ASP 950 Cb 0.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3mjw h ASP 950 CO 0.00 0.69 0.01 0.59 -2.88 0.00 0.00 179.24 177.65 3mjw n ASN 951 N -3.53 5.07 -4.08 2.28 5.03 -0.67 -4.84 115.26 114.52 3mjw n ASN 951 Ca -0.00 -2.81 -0.25 0.00 0.87 0.00 0.00 54.58 52.39 3mjw n ASN 951 Cb 0.72 -0.66 -0.16 0.00 -1.02 0.00 0.00 39.78 38.66 3mjw n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3mjw s ILE 952 N -2.52 1.24 0.47 2.41 1.01 -1.24 -2.65 121.20 119.92 3mjw s ILE 952 Ca 0.47 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3mjw s ILE 952 Cb 0.36 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 3mjw s ILE 952 CO 0.14 0.37 0.02 -0.04 0.00 0.00 0.00 174.94 175.42 3mjw s MET 953 N 0.27 2.10 -0.27 2.79 -1.94 -0.59 -2.05 119.30 119.61 3mjw s MET 953 Ca -0.07 -2.30 -0.16 0.00 -1.71 0.00 0.00 55.69 51.45 3mjw s MET 953 Cb -0.12 -1.43 0.08 0.00 2.01 0.00 0.00 34.83 35.36 3mjw s MET 953 CO 0.03 -0.30 0.66 -1.50 -0.01 0.00 0.00 175.02 173.90 3mjw s ILE 954 N -2.89 -0.00 0.70 2.53 2.07 0.23 -2.02 121.20 121.82 3mjw s ILE 954 Ca 0.15 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 3mjw s ILE 954 Cb 0.04 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.68 3mjw s ILE 954 CO 0.08 0.00 1.06 0.42 -1.91 0.00 0.00 174.94 174.59 3mjw s THR 955 N 1.53 3.97 -0.48 4.00 -4.23 -0.42 -1.60 115.64 118.42 3mjw s THR 955 Ca -0.09 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.20 3mjw s THR 955 Cb -0.05 -3.36 0.14 0.00 1.34 0.00 0.00 72.50 70.57 3mjw s THR 955 CO -0.18 -0.84 1.43 -0.62 -0.54 0.00 0.00 174.62 173.88 3mjw n GLU 956 N -3.16 0.09 -1.10 3.99 1.02 -0.13 -1.51 120.64 119.84 3mjw n GLU 956 Ca 0.08 0.59 -0.14 0.00 -0.02 0.00 0.00 57.16 57.67 3mjw n GLU 956 Cb 0.53 -1.80 0.16 0.00 -0.02 0.00 0.00 31.44 30.31 3mjw n GLU 956 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3mjw n THR 957 N -1.99 2.78 -0.05 2.62 5.66 -1.26 -4.66 114.28 117.38 3mjw n THR 957 Ca -0.01 -2.87 0.00 0.00 -3.05 0.00 0.00 64.05 58.12 3mjw n THR 957 Cb 0.02 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 3mjw n THR 957 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mjw n GLY 958 N -1.05 1.90 3.61 1.09 0.00 -0.57 -4.45 105.19 105.72 3mjw n GLY 958 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 3mjw n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mjw s ASN 959 N -3.30 6.46 0.12 1.61 3.84 -1.26 -2.46 114.94 119.96 3mjw s ASN 959 Ca 0.00 0.86 -0.20 0.00 0.21 0.00 0.00 52.86 53.73 3mjw s ASN 959 Cb 0.00 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 38.09 3mjw s ASN 959 CO 0.00 -1.32 0.62 -0.22 -2.79 0.00 0.00 177.10 173.39 3mjw s LEU 960 N 5.03 4.50 -0.26 3.21 2.96 -1.26 -1.30 118.68 131.56 3mjw s LEU 960 Ca 0.58 1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 55.62 3mjw s LEU 960 Cb -0.13 -3.09 0.07 0.00 0.50 0.00 0.00 46.19 43.53 3mjw s LEU 960 CO 0.30 0.22 0.67 0.72 -1.32 0.00 0.00 176.35 176.93 3mjw s PHE 961 N -1.21 -0.83 0.65 5.38 -0.12 -0.86 -4.69 117.98 116.31 3mjw s PHE 961 Ca 0.33 1.88 -0.11 0.00 -0.05 0.00 0.00 56.93 58.98 3mjw s PHE 961 Cb -0.19 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3mjw s PHE 961 CO 0.21 -0.41 1.05 -1.01 -0.05 0.00 0.00 175.22 175.01 3mjw s HIS 962 N 0.78 3.48 0.27 3.49 3.76 -1.26 -1.54 115.29 124.28 3mjw s HIS 962 Ca -0.03 1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 55.99 3mjw s HIS 962 Cb -0.05 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 3mjw s HIS 962 CO -0.06 -0.90 0.36 0.96 -0.85 0.00 0.00 174.74 174.25 3mjw s ILE 963 N -3.24 0.00 -0.80 0.60 -4.36 -1.09 -4.91 121.20 107.40 3mjw s ILE 963 Ca 0.56 -1.70 -0.02 0.00 -0.26 0.00 0.00 60.65 59.23 3mjw s ILE 963 Cb -0.11 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3mjw s ILE 963 CO 0.53 0.00 0.61 -0.67 0.24 0.00 0.00 174.94 175.65 3mjw n ASP 964 N -0.80 -5.16 -3.64 4.36 2.03 -1.26 -4.81 116.55 107.27 3mjw n ASP 964 Ca 0.01 -0.84 -0.41 0.00 0.52 0.00 0.00 54.79 54.07 3mjw n ASP 964 Cb 0.63 -2.01 -0.01 0.00 -0.72 0.00 0.00 41.12 39.01 3mjw n ASP 964 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3mjw n PHE 965 N -2.42 3.14 0.00 -0.67 3.01 -1.26 -4.88 117.46 114.38 3mjw n PHE 965 Ca -0.28 -2.97 0.00 0.00 1.01 0.00 0.00 57.45 55.21 3mjw n PHE 965 Cb 0.68 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.73 3mjw n PHE 965 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mjw n GLY 966 N 3.65 -2.68 2.56 1.37 0.00 -1.26 -4.31 105.19 104.53 3mjw n GLY 966 Ca 0.57 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3mjw n GLY 966 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mjw n HIS 967 N 0.00 2.23 -3.12 1.61 8.25 -1.26 -4.92 115.22 118.01 3mjw n HIS 967 Ca 0.00 -2.34 -0.29 0.00 -0.26 0.00 0.00 57.72 54.83 3mjw n HIS 967 Cb 0.00 -1.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.60 3mjw n HIS 967 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mjw s ILE 968 N -2.52 4.93 0.00 1.59 1.01 -1.26 -5.22 121.20 119.73 3mjw s ILE 968 Ca 0.54 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3mjw s ILE 968 Cb 0.31 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3mjw s ILE 968 CO -0.20 -0.43 0.00 0.54 0.00 0.00 0.00 174.94 174.85 3mjw n ARG 982 N -1.17 0.00 -3.67 2.79 5.12 -1.26 -4.96 116.66 113.51 3mjw n ARG 982 Ca -0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 3mjw n ARG 982 Cb 0.54 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.69 3mjw n ARG 982 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3mjw s VAL 983 N 0.00 -0.31 0.42 1.55 0.11 -1.26 -5.02 120.40 115.89 3mjw s VAL 983 Ca 0.00 0.33 0.27 0.00 -2.93 0.00 0.00 61.98 59.65 3mjw s VAL 983 Cb 0.00 -0.34 0.45 0.00 -1.53 0.00 0.00 36.38 34.95 3mjw s VAL 983 CO 0.00 0.14 1.62 -0.65 -3.33 0.00 0.00 175.10 172.88 3mjw h PRO 984 N 8.34 0.10 -1.48 1.54 0.11 -1.94 -3.30 132.00 135.36 3mjw h PRO 984 Ca -0.13 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.23 3mjw h PRO 984 Cb 1.12 -0.02 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 3mjw h PRO 984 CO 0.14 0.07 0.81 -0.59 -0.21 0.00 0.00 178.00 178.21 3mjw s PHE 985 N -5.37 -0.12 -0.53 0.65 -0.12 -1.26 -4.19 117.98 107.02 3mjw s PHE 985 Ca -0.08 0.06 -0.27 0.00 -0.05 0.00 0.00 56.93 56.59 3mjw s PHE 985 Cb 0.30 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 43.18 3mjw s PHE 985 CO 0.81 -0.22 1.94 0.08 -0.05 0.00 0.00 175.22 177.79 3mjw s VAL 986 N -2.43 3.32 -0.47 -2.49 1.01 -1.20 -4.86 120.40 113.29 3mjw s VAL 986 Ca 0.10 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.35 3mjw s VAL 986 Cb -0.00 -3.72 0.20 0.00 0.00 0.00 0.00 36.38 32.85 3mjw s VAL 986 CO -0.05 -0.66 0.44 -0.11 0.00 0.00 0.00 175.10 174.73 3mjw n LEU 987 N 12.82 0.53 -4.86 3.92 7.94 -1.26 -4.99 117.00 131.10 3mjw n LEU 987 Ca 0.24 -4.66 -0.31 0.00 -1.11 0.00 0.00 56.01 50.16 3mjw n LEU 987 Cb 0.51 0.28 -0.05 0.00 0.53 0.00 0.00 43.42 44.70 3mjw n LEU 987 CO 0.70 1.91 0.42 0.42 -1.11 0.00 0.00 177.39 179.74 3mjw s THR 988 N -0.67 4.75 0.62 1.96 -4.23 -1.26 -4.39 115.64 112.41 3mjw s THR 988 Ca 0.33 0.75 0.24 0.00 -1.18 0.00 0.00 61.69 61.83 3mjw s THR 988 Cb 0.07 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.54 3mjw s THR 988 CO -0.16 -0.36 1.59 -0.65 -0.54 0.00 0.00 174.62 174.50 3mjw h PRO 989 N 1.74 0.00 -0.08 3.99 0.11 -1.87 0.16 132.00 136.05 3mjw h PRO 989 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3mjw h PRO 989 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3mjw h PRO 989 CO 0.65 0.00 -0.45 0.38 -0.21 0.00 0.00 178.00 178.36 3mjw h ASP 990 N 0.00 0.21 -0.20 -2.05 2.03 -1.85 -0.47 116.42 114.08 3mjw h ASP 990 Ca 0.22 -0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 56.34 3mjw h ASP 990 Cb 1.72 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 40.16 3mjw h ASP 990 CO -0.00 0.64 -0.24 -0.26 -1.03 0.00 0.00 179.24 178.35 3mjw h PHE 991 N 0.16 0.63 -0.99 4.15 0.04 -1.00 -3.30 116.94 116.63 3mjw h PHE 991 Ca 0.01 -0.20 0.07 0.00 2.80 0.00 0.00 57.97 60.66 3mjw h PHE 991 Cb 0.87 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.82 3mjw h PHE 991 CO 0.01 0.89 0.64 -0.07 -0.60 0.00 0.00 178.31 179.18 3mjw h LEU 992 N 0.19 1.01 -1.18 1.54 3.38 -1.22 -1.05 115.31 117.98 3mjw h LEU 992 Ca 0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3mjw h LEU 992 Cb 0.80 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3mjw h LEU 992 CO 0.06 0.63 0.56 0.15 0.09 0.00 0.00 178.44 179.93 3mjw h PHE 993 N 1.14 1.03 -0.23 1.13 3.57 -1.15 0.68 116.94 123.12 3mjw h PHE 993 Ca 0.44 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.88 3mjw h PHE 993 Cb 0.21 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3mjw h PHE 993 CO -0.00 0.60 -0.20 0.28 -2.23 0.00 0.00 178.31 176.76 3mjw h VAL 994 N 1.07 1.24 -0.14 1.41 2.07 -1.31 -2.07 116.25 118.52 3mjw h VAL 994 Ca 0.34 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3mjw h VAL 994 Cb 0.01 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3mjw h VAL 994 CO -0.10 0.35 0.00 0.23 0.02 0.00 0.00 177.57 178.08 3mjw n MET 995 N -4.17 1.33 -3.40 1.57 2.81 0.11 -4.90 117.12 110.47 3mjw n MET 995 Ca -0.00 -0.50 -0.17 0.00 -1.81 0.00 0.00 57.70 55.22 3mjw n MET 995 Cb 0.36 -1.12 0.09 0.00 -0.71 0.00 0.00 33.22 31.84 3mjw n MET 995 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mjw n GLY 996 N 0.71 -0.50 3.16 3.03 0.00 -0.55 -4.01 105.19 107.03 3mjw n GLY 996 Ca 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 3mjw n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mjw s THR 997 N -3.37 -0.00 -0.10 2.61 2.01 -0.44 -4.40 115.64 111.94 3mjw s THR 997 Ca 0.08 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 3mjw s THR 997 Cb -0.01 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.13 3mjw s THR 997 CO 0.73 0.01 -0.06 -0.55 -0.69 0.00 0.00 174.62 174.06 3mjw s SER 998 N 0.29 2.00 0.00 3.53 0.15 -1.26 -3.53 113.70 114.87 3mjw s SER 998 Ca -0.01 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3mjw s SER 998 Cb -0.03 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 3mjw s SER 998 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mjw n GLY 999 N 4.91 0.00 0.06 9.45 0.00 -1.26 -1.84 105.19 116.51 3mjw n GLY 999 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3mjw n GLY 999 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mjw n LYS 1000N 0.09 0.00 -2.50 1.61 0.00 -1.26 -5.07 118.16 111.02 3mjw n LYS 1000Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 3mjw n LYS 1000Cb 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.03 34.97 3mjw n LYS 1000CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3mjw s LYS 1001N -0.98 3.97 0.08 -1.58 0.00 -0.76 -5.07 119.74 115.39 3mjw s LYS 1001Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 55.97 57.09 3mjw s LYS 1001Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 37.83 35.66 3mjw s LYS 1001CO 0.00 -0.25 -0.14 0.99 0.00 0.00 0.00 175.35 175.95 3mjw s THR 1002N -2.44 3.12 0.27 3.79 2.01 -1.26 -4.34 115.64 116.78 3mjw s THR 1002Ca 0.61 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3mjw s THR 1002Cb -0.11 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3mjw s THR 1002CO 0.26 0.19 0.26 -0.94 -0.69 0.00 0.00 174.62 173.70 3mjw s SER 1003N -1.92 0.73 0.02 3.53 1.04 -1.26 -4.99 113.70 110.85 3mjw s SER 1003Ca 0.18 -1.48 -0.24 0.00 0.48 0.00 0.00 55.95 54.89 3mjw s SER 1003Cb -0.11 0.50 -0.17 0.00 0.10 0.00 0.00 66.02 66.34 3mjw s SER 1003CO 0.10 -1.00 1.42 1.55 0.98 0.00 0.00 173.24 176.28 3mjw h PRO 1004N 2.36 0.07 0.00 4.02 0.13 -1.89 -1.06 132.00 135.63 3mjw h PRO 1004Ca -0.30 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3mjw h PRO 1004Cb 1.24 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mjw h PRO 1004CO 0.44 0.40 -0.01 0.45 -0.23 0.00 0.00 178.00 179.05 3mjw h HIS 1005N -0.26 0.00 0.01 1.56 3.86 -1.94 0.38 115.15 118.76 3mjw h HIS 1005Ca 0.01 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.93 3mjw h HIS 1005Cb 0.37 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 3mjw h HIS 1005CO 0.05 0.01 -1.67 0.35 0.86 0.00 0.00 177.93 177.52 3mjw h PHE 1006N 0.00 0.05 0.00 2.45 3.57 -1.66 -1.14 116.94 120.21 3mjw h PHE 1006Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3mjw h PHE 1006Cb 0.05 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3mjw h PHE 1006CO 0.00 1.07 0.00 1.96 -2.23 0.00 0.00 178.31 179.11 3mjw h GLN 1007N 0.01 0.00 0.00 1.11 4.20 -0.03 -1.99 115.11 118.41 3mjw h GLN 1007Ca -0.27 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.22 3mjw h GLN 1007Cb 2.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.74 3mjw h GLN 1007CO 0.09 0.00 -1.31 -0.22 -0.67 0.00 0.00 178.83 176.71 3mjw h LYS 1008N 0.00 0.00 0.08 1.46 3.64 -0.30 -2.91 116.57 118.54 3mjw h LYS 1008Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mjw h LYS 1008Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3mjw h LYS 1008CO 0.00 0.56 -0.04 0.35 -2.27 0.00 0.00 179.45 178.05 3mjw h PHE 1009N 0.00 -0.10 0.00 1.91 3.57 -0.87 -0.28 116.94 121.17 3mjw h PHE 1009Ca -0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 3mjw h PHE 1009Cb 1.77 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 3mjw h PHE 1009CO 0.00 0.31 -0.08 1.96 -2.23 0.00 0.00 178.31 178.27 3mjw h GLN 1010N -0.54 0.00 0.20 1.11 4.20 -1.52 -1.03 115.11 117.53 3mjw h GLN 1010Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3mjw h GLN 1010Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3mjw h GLN 1010CO 0.02 0.08 -0.10 0.22 -0.67 0.00 0.00 178.83 178.38 3mjw h ASP 1011N 0.00 -0.23 -0.17 1.46 3.58 -1.28 -3.01 116.42 116.76 3mjw h ASP 1011Ca -0.00 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.16 3mjw h ASP 1011Cb 0.30 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3mjw h ASP 1011CO 0.01 0.28 0.09 0.40 -2.88 0.00 0.00 179.24 177.15 3mjw h ILE 1012N -0.86 1.01 0.06 2.25 1.08 -0.89 -2.77 117.51 117.40 3mjw h ILE 1012Ca -0.03 -0.07 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3mjw h ILE 1012Cb 0.51 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3mjw h ILE 1012CO 0.05 0.04 -0.24 0.00 -0.69 0.00 0.00 178.15 177.31 3mjw h VAL 1014N -0.34 1.03 -0.31 0.00 2.07 -1.61 0.47 116.25 117.56 3mjw h VAL 1014Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3mjw h VAL 1014Cb 0.34 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3mjw h VAL 1014CO -0.13 0.16 0.15 0.50 0.02 0.00 0.00 177.57 178.27 3mjw h LYS 1015N 0.87 0.42 0.15 1.57 3.64 -1.19 -1.88 116.57 120.15 3mjw h LYS 1015Ca 0.36 -0.04 -0.36 0.00 -1.27 0.00 0.00 60.65 59.34 3mjw h LYS 1015Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3mjw h LYS 1015CO -0.13 0.32 -1.87 0.00 -2.27 0.00 0.00 179.45 175.51 3mjw h ALA 1016N 1.75 0.31 -0.72 5.00 0.00 0.36 -3.23 119.26 122.72 3mjw h ALA 1016Ca 0.11 -1.28 0.03 0.00 0.00 0.00 0.00 54.91 53.78 3mjw h ALA 1016Cb 0.04 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3mjw h ALA 1016CO -0.02 1.17 0.48 -0.92 0.00 0.00 0.00 179.25 179.96 3mjw h TYR 1017N 0.06 0.85 0.00 0.00 3.20 -0.04 -2.06 116.97 118.98 3mjw h TYR 1017Ca -0.39 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.32 3mjw h TYR 1017Cb 2.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 3mjw h TYR 1017CO 0.09 0.49 -0.86 -0.07 -1.64 0.00 0.00 178.16 176.18 3mjw h LEU 1018N 0.88 0.08 -1.06 2.82 3.38 -1.50 -2.95 115.31 116.95 3mjw h LEU 1018Ca 0.29 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3mjw h LEU 1018Cb 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3mjw h LEU 1018CO -0.08 0.90 0.63 0.00 0.09 0.00 0.00 178.44 179.97 3mjw h ALA 1019N 1.10 1.42 -0.24 1.53 0.00 -1.40 -2.09 119.26 119.58 3mjw h ALA 1019Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3mjw h ALA 1019Cb 1.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3mjw h ALA 1019CO 0.12 0.45 -0.47 -0.07 0.00 0.00 0.00 179.25 179.28 3mjw h LEU 1020N 1.15 0.70 -2.05 0.00 3.38 -1.41 -2.93 115.31 114.14 3mjw h LEU 1020Ca 0.40 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3mjw h LEU 1020Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3mjw h LEU 1020CO -0.15 1.06 0.00 0.03 0.09 0.00 0.00 178.44 179.47 3mjw h ARG 1021N 0.51 0.00 0.00 1.13 3.08 -1.22 0.50 114.38 118.38 3mjw h ARG 1021Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mjw h ARG 1021Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3mjw h ARG 1021CO 0.10 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.72 3mjw n HIS 1022N -2.91 0.78 -1.83 3.04 8.25 -1.02 -2.98 115.22 118.54 3mjw n HIS 1022Ca -0.01 0.26 0.01 0.00 -0.26 0.00 0.00 57.72 57.73 3mjw n HIS 1022Cb 0.17 -0.92 0.15 0.00 1.12 0.00 0.00 29.99 30.50 3mjw n HIS 1022CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3mjw n HIS 1023N -2.17 0.41 -0.32 4.41 8.25 0.14 -4.86 115.22 121.08 3mjw n HIS 1023Ca 0.04 -1.47 -0.03 0.00 -0.26 0.00 0.00 57.72 56.01 3mjw n HIS 1023Cb 0.33 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.22 3mjw n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3mjw h THR 1024N 2.19 0.06 -0.71 1.59 2.02 -1.39 -0.99 112.91 115.68 3mjw h THR 1024Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 3mjw h THR 1024Cb 1.22 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 3mjw h THR 1024CO 0.12 0.00 0.34 0.78 0.37 0.00 0.00 175.52 177.14 3mjw h ASN 1025N -0.06 0.43 0.72 4.18 4.21 -1.89 -1.03 115.58 122.14 3mjw h ASN 1025Ca 0.30 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.84 3mjw h ASN 1025Cb 0.58 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.78 3mjw h ASN 1025CO -0.88 0.24 -0.34 0.25 -1.29 0.00 0.00 177.43 175.41 3mjw h LEU 1026N 0.58 -0.81 -0.27 1.61 6.46 -1.49 -2.92 115.31 118.47 3mjw h LEU 1026Ca 0.36 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.19 3mjw h LEU 1026Cb 0.40 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.47 3mjw h LEU 1026CO -0.29 -0.53 -0.25 -0.07 -0.62 0.00 0.00 178.44 176.69 3mjw h LEU 1027N -1.04 -0.79 -1.00 2.25 3.38 -1.15 -2.11 115.31 114.85 3mjw h LEU 1027Ca -0.10 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3mjw h LEU 1027Cb 0.75 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 3mjw h LEU 1027CO 0.16 -0.28 0.61 0.40 0.09 0.00 0.00 178.44 179.42 3mjw h ILE 1028N -0.24 0.70 0.00 1.22 2.04 -1.20 0.24 117.51 120.28 3mjw h ILE 1028Ca 0.15 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 3mjw h ILE 1028Cb 0.47 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3mjw h ILE 1028CO -0.41 0.14 -0.57 -0.29 0.00 0.00 0.00 178.15 177.02 3mjw h ILE 1029N 0.76 1.19 0.22 -0.67 -0.00 -1.19 0.27 117.51 118.10 3mjw h ILE 1029Ca 0.58 -2.13 -0.31 0.00 -0.00 0.00 0.00 64.86 63.00 3mjw h ILE 1029Cb 0.90 2.22 0.03 0.00 -0.00 0.00 0.00 36.82 39.97 3mjw h ILE 1029CO -0.38 0.56 -1.37 -0.07 -0.00 0.00 0.00 178.15 176.89 3mjw h LEU 1030N 0.00 0.74 -0.23 2.19 3.38 -0.65 -1.99 115.31 118.76 3mjw h LEU 1030Ca -0.01 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 3mjw h LEU 1030Cb 1.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3mjw h LEU 1030CO 0.07 1.66 0.13 0.15 0.09 0.00 0.00 178.44 180.54 3mjw h PHE 1031N 0.02 0.31 0.61 1.13 3.57 -0.58 0.90 116.94 122.90 3mjw h PHE 1031Ca -0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 3mjw h PHE 1031Cb 2.05 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.68 3mjw h PHE 1031CO 0.14 0.27 -0.47 1.03 -2.23 0.00 0.00 178.31 177.04 3mjw h SER 1032N 0.27 -1.26 -0.64 0.41 0.87 -1.02 -2.50 113.55 109.68 3mjw h SER 1032Ca 0.08 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 3mjw h SER 1032Cb 0.05 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 3mjw h SER 1032CO -0.01 -0.67 0.28 0.24 -0.53 0.00 0.00 176.83 176.13 3mjw h MET 1033N -1.05 0.48 -0.86 2.24 2.86 -1.35 -1.52 114.93 115.73 3mjw h MET 1033Ca -0.08 -0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.71 3mjw h MET 1033Cb 0.87 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.32 3mjw h MET 1033CO 0.02 0.31 0.41 1.98 1.06 0.00 0.00 176.91 180.69 3mjw h MET 1034N 0.49 0.51 -0.55 1.72 -1.53 -0.71 -1.19 114.93 113.67 3mjw h MET 1034Ca 0.32 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.52 3mjw h MET 1034Cb 0.36 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 3mjw h MET 1034CO -0.28 0.34 0.22 -0.07 0.14 0.00 0.00 176.91 177.25 3mjw h LEU 1035N 0.53 0.76 -0.48 3.39 3.38 -0.82 -0.15 115.31 121.92 3mjw h LEU 1035Ca 0.50 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 58.13 3mjw h LEU 1035Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3mjw h LEU 1035CO -0.43 0.72 -0.72 0.24 0.09 0.00 0.00 178.44 178.35 3mjw h MET 1036N 0.75 0.26 -0.00 1.13 2.86 -1.04 -2.45 114.93 116.44 3mjw h MET 1036Ca 0.18 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3mjw h MET 1036Cb 0.20 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3mjw h MET 1036CO -0.01 0.87 -0.55 0.25 1.06 0.00 0.00 176.91 178.53 3mjw n THR 1037N -3.80 0.00 0.00 2.22 -2.24 -0.61 -1.12 114.28 108.73 3mjw n THR 1037Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3mjw n THR 1037Cb 0.70 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3mjw n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mjw n GLY 1038N 1.26 0.00 3.22 3.38 0.00 -0.08 -5.00 105.19 107.97 3mjw n GLY 1038Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3mjw n GLY 1038CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3mjw s MET 1039N -1.60 2.45 0.37 1.61 0.00 -0.92 -4.69 119.30 116.51 3mjw s MET 1039Ca 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 55.69 54.05 3mjw s MET 1039Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 34.83 31.03 3mjw s MET 1039CO 0.00 -1.02 0.65 -1.25 0.00 0.00 0.00 175.02 173.40 3mjw s PRO 1040N 1.35 3.61 0.00 3.16 0.05 -1.26 -4.67 135.00 137.24 3mjw s PRO 1040Ca 0.04 0.07 0.00 0.00 0.05 0.00 0.00 61.00 61.16 3mjw s PRO 1040Cb -0.24 -2.54 0.00 0.00 0.05 0.00 0.00 34.50 31.77 3mjw s PRO 1040CO 0.00 0.06 0.00 1.04 0.05 0.00 0.00 177.00 178.15 3mjw n GLN 1041N -1.47 0.00 -1.83 4.56 3.00 -1.26 -5.02 117.38 115.36 3mjw n GLN 1041Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3mjw n GLN 1041Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.76 3mjw n GLN 1041CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 3mjw s LEU 1042N -1.02 4.38 -0.30 1.08 0.05 -1.26 -4.60 118.68 117.01 3mjw s LEU 1042Ca 0.00 2.48 -0.06 0.00 0.05 0.00 0.00 54.13 56.60 3mjw s LEU 1042Cb 0.00 -3.53 0.02 0.00 -2.05 0.00 0.00 46.19 40.63 3mjw s LEU 1042CO 0.00 -0.99 0.06 0.42 -0.55 0.00 0.00 176.35 175.29 3mjw s THR 1043N 4.16 3.73 0.73 5.48 -4.23 -1.26 -5.04 115.64 119.20 3mjw s THR 1043Ca 0.81 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 3mjw s THR 1043Cb -0.39 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.52 3mjw s THR 1043CO 0.36 0.03 1.16 -0.44 -0.54 0.00 0.00 174.62 175.19 3mjw s SER 1044N 1.44 4.41 0.38 3.99 0.01 -1.26 -4.79 113.70 117.88 3mjw s SER 1044Ca 0.01 2.18 0.28 0.00 1.31 0.00 0.00 55.95 59.73 3mjw s SER 1044Cb -0.18 -2.57 1.25 0.00 0.21 0.00 0.00 66.02 64.74 3mjw s SER 1044CO 0.01 -2.11 1.83 0.07 0.41 0.00 0.00 173.24 173.46 3mjw h LYS 1045N -0.39 0.00 0.00 12.44 -0.00 -1.98 -2.04 116.57 124.60 3mjw h LYS 1045Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.10 3mjw h LYS 1045Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.49 3mjw h LYS 1045CO 0.51 0.00 -0.79 1.05 -0.00 0.00 0.00 179.45 180.22 3mjw h GLU 1046N 0.00 0.00 -0.71 0.07 -0.00 -1.99 -3.16 114.58 108.79 3mjw h GLU 1046Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 3mjw h GLU 1046Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.01 3mjw h GLU 1046CO 0.00 0.27 0.25 -0.44 -0.00 0.00 0.00 179.01 179.09 3mjw h ASP 1047N 0.00 1.00 0.61 3.06 3.32 -1.71 -2.94 116.42 119.76 3mjw h ASP 1047Ca -0.05 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.60 3mjw h ASP 1047Cb 1.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3mjw h ASP 1047CO 0.04 0.91 -1.04 0.40 -1.72 0.00 0.00 179.24 177.83 3mjw h ILE 1048N 1.04 1.51 0.00 0.35 2.04 -1.65 -3.23 117.51 117.58 3mjw h ILE 1048Ca 0.23 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.23 3mjw h ILE 1048Cb 0.25 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3mjw h ILE 1048CO -0.01 0.84 0.31 -0.62 0.00 0.00 0.00 178.15 178.67 3mjw n GLU 1049N -3.59 0.07 0.30 2.37 4.71 -1.11 -2.00 120.64 121.40 3mjw n GLU 1049Ca -0.05 0.52 -0.15 0.00 -0.01 0.00 0.00 57.16 57.46 3mjw n GLU 1049Cb 0.91 -2.04 -0.08 0.00 -1.01 0.00 0.00 31.44 29.22 3mjw n GLU 1049CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 3mjw h TYR 1050N 0.00 -0.73 -0.04 -0.32 3.20 -1.65 -3.17 116.97 114.27 3mjw h TYR 1050Ca 0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3mjw h TYR 1050Cb 0.63 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 3mjw h TYR 1050CO 0.00 -0.39 0.11 0.97 -1.64 0.00 0.00 178.16 177.21 3mjw h ILE 1051N -1.02 0.16 0.79 1.81 2.10 -1.66 0.94 117.51 120.64 3mjw h ILE 1051Ca -0.08 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.82 3mjw h ILE 1051Cb 0.66 0.90 0.01 0.00 -1.09 0.00 0.00 36.82 37.30 3mjw h ILE 1051CO 0.13 0.00 -0.38 -0.09 -1.08 0.00 0.00 178.15 176.73 3mjw h ARG 1052N 0.00 -1.03 -0.60 2.19 2.43 -1.69 -1.25 114.38 114.44 3mjw h ARG 1052Ca 0.02 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3mjw h ARG 1052Cb 0.23 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3mjw h ARG 1052CO -0.00 -0.68 0.22 -0.44 -1.51 0.00 0.00 179.97 177.55 3mjw h ASP 1053N -1.16 0.81 0.19 -3.80 3.32 -1.26 0.01 116.42 114.53 3mjw h ASP 1053Ca -0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 3mjw h ASP 1053Cb 0.82 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3mjw h ASP 1053CO 0.18 0.74 -0.08 0.00 -1.72 0.00 0.00 179.24 178.36 3mjw h ALA 1054N 1.38 1.46 -0.00 3.45 0.00 -0.87 -0.87 119.26 123.80 3mjw h ALA 1054Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mjw h ALA 1054Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mjw h ALA 1054CO -0.01 0.10 -0.69 1.28 0.00 0.00 0.00 179.25 179.93 3mjw n LEU 1055N -3.86 1.11 -3.31 0.00 4.77 -0.48 -4.85 117.00 110.39 3mjw n LEU 1055Ca -0.02 -0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 3mjw n LEU 1055Cb 0.18 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3mjw n LEU 1055CO 0.30 0.24 0.06 0.41 -1.33 0.00 0.00 177.39 177.07 3mjw n THR 1056N -1.08 -7.52 -2.06 -5.08 -1.04 -0.11 -4.89 114.28 92.51 3mjw n THR 1056Ca 0.06 0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 3mjw n THR 1056Cb 0.36 -5.38 -0.03 0.00 -1.82 0.00 0.00 70.33 63.46 3mjw n THR 1056CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3mjw s VAL 1057N -2.80 3.14 0.00 12.58 1.01 -1.11 -4.02 120.40 129.20 3mjw s VAL 1057Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3mjw s VAL 1057Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3mjw s VAL 1057CO 0.81 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.55 3mjw n GLY 1058N 3.72 2.15 3.11 4.51 0.00 -1.26 -5.05 105.19 112.37 3mjw n GLY 1058Ca 0.14 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 3mjw n GLY 1058CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mjw n LYS 1059N 0.00 0.00 -0.58 1.61 4.76 -1.26 -4.91 118.16 117.78 3mjw n LYS 1059Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3mjw n LYS 1059Cb 0.00 -0.98 0.26 0.00 -1.84 0.00 0.00 35.03 32.47 3mjw n LYS 1059CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3mjw s ASN 1060N -0.76 0.18 0.00 4.39 2.47 -1.26 -4.77 114.94 115.19 3mjw s ASN 1060Ca 0.62 1.11 0.00 0.00 0.42 0.00 0.00 52.86 55.01 3mjw s ASN 1060Cb -0.90 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3mjw s ASN 1060CO 0.51 -4.63 0.38 -0.62 -3.72 0.00 0.00 177.10 169.01 3mjw n GLU 1061N -5.17 0.46 0.00 0.43 1.02 -1.26 -2.80 120.64 113.32 3mjw n GLU 1061Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3mjw n GLU 1061Cb 0.57 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 3mjw n GLU 1061CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mjw n GLU 1062N -0.22 0.00 0.00 3.49 -0.58 -1.26 -3.96 120.64 118.11 3mjw n GLU 1062Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3mjw n GLU 1062Cb 0.04 -0.06 0.13 0.00 -0.57 0.00 0.00 31.44 30.98 3mjw n GLU 1062CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3mjw n ASP 1063N -0.75 0.00 -0.07 1.62 3.85 -1.25 -1.54 116.55 118.41 3mjw n ASP 1063Ca 0.00 -0.59 -0.22 0.00 -0.71 0.00 0.00 54.79 53.27 3mjw n ASP 1063Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 3mjw n ASP 1063CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mjw n ALA 1064N -0.69 0.85 -0.24 2.12 0.00 -1.12 -2.66 120.51 118.77 3mjw n ALA 1064Ca 0.03 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 3mjw n ALA 1064Cb 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 18.96 3mjw n ALA 1064CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3mjw h LYS 1065N -0.63 1.12 -0.68 0.00 2.10 -1.40 -1.91 116.57 115.17 3mjw h LYS 1065Ca -0.40 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 57.94 3mjw h LYS 1065Cb 1.57 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.74 3mjw h LYS 1065CO -0.13 1.02 0.40 0.87 -2.00 0.00 0.00 179.45 179.62 3mjw h LYS 1066N 1.05 0.92 -0.44 0.07 1.57 -1.52 -0.30 116.57 117.93 3mjw h LYS 1066Ca 0.21 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3mjw h LYS 1066Cb 0.45 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 3mjw h LYS 1066CO 0.01 0.66 0.05 -0.92 -0.57 0.00 0.00 179.45 178.69 3mjw h TYR 1067N 0.92 0.08 -0.23 -1.35 5.03 -1.23 -1.98 116.97 118.21 3mjw h TYR 1067Ca 0.24 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.44 3mjw h TYR 1067Cb -0.02 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 3mjw h TYR 1067CO -0.01 -0.03 -0.43 0.35 -1.32 0.00 0.00 178.16 176.72 3mjw h PHE 1068N 0.18 0.67 0.00 -3.82 3.57 -0.87 -2.81 116.94 113.86 3mjw h PHE 1068Ca 0.22 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3mjw h PHE 1068Cb 0.29 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3mjw h PHE 1068CO -0.24 0.90 0.00 -0.07 -2.23 0.00 0.00 178.31 176.67 3mjw h LEU 1069N 0.46 0.00 -0.90 0.59 3.38 -0.71 -0.87 115.31 117.26 3mjw h LEU 1069Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3mjw h LEU 1069Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3mjw h LEU 1069CO 0.08 0.00 -0.37 0.44 0.09 0.00 0.00 178.44 178.68 3mjw h ASP 1070N 0.00 0.36 0.29 -0.43 3.45 -1.09 -3.19 116.42 115.81 3mjw h ASP 1070Ca 0.00 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3mjw h ASP 1070Cb 0.49 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3mjw h ASP 1070CO 0.00 0.71 -0.14 1.56 -1.57 0.00 0.00 179.24 179.80 3mjw h GLN 1071N 0.30 -0.38 -1.09 3.56 1.08 -1.18 -2.80 115.11 114.60 3mjw h GLN 1071Ca 0.03 0.03 0.30 0.00 -1.45 0.00 0.00 58.65 57.55 3mjw h GLN 1071Cb 0.79 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.23 3mjw h GLN 1071CO 0.06 -0.12 0.73 0.82 -0.95 0.00 0.00 178.83 179.37 3mjw h ILE 1072N -0.60 0.47 -0.14 2.54 2.04 -1.54 -0.48 117.51 119.80 3mjw h ILE 1072Ca -0.04 -0.08 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 3mjw h ILE 1072Cb 0.43 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3mjw h ILE 1072CO 0.07 0.04 -0.62 -0.33 0.00 0.00 0.00 178.15 177.31 3mjw h GLU 1073N 0.24 0.67 -0.80 2.37 4.39 -1.51 -3.21 114.58 116.73 3mjw h GLU 1073Ca 0.58 -0.53 0.07 0.00 0.34 0.00 0.00 59.36 59.82 3mjw h GLU 1073Cb 1.79 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.48 3mjw h GLU 1073CO -0.20 1.15 0.47 0.28 -1.16 0.00 0.00 179.01 179.55 3mjw h VAL 1074N 0.35 0.98 0.00 3.13 2.07 -0.83 -0.15 116.25 121.80 3mjw h VAL 1074Ca -0.04 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3mjw h VAL 1074Cb 1.26 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3mjw h VAL 1074CO 0.13 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.84 3mjw h ARG 1076N 0.00 0.29 0.00 0.00 3.08 -1.21 -2.76 114.38 113.78 3mjw h ARG 1076Ca -0.00 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3mjw h ARG 1076Cb 0.38 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3mjw h ARG 1076CO 0.00 1.24 0.00 -0.25 -1.07 0.00 0.00 179.97 179.89 3mjw n ASP 1077N -3.65 0.00 -0.05 7.04 8.00 -0.20 -2.57 116.55 125.13 3mjw n ASP 1077Ca -0.29 -1.13 -0.05 0.00 0.71 0.00 0.00 54.79 54.03 3mjw n ASP 1077Cb 1.01 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.04 3mjw n ASP 1077CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mjw n LYS 1078N -0.81 2.01 0.00 -1.24 4.01 -0.63 -5.05 118.16 116.45 3mjw n LYS 1078Ca 0.12 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 3mjw n LYS 1078Cb 0.06 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 3mjw n LYS 1078CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mjw n GLY 1079N 2.55 1.66 0.38 0.72 0.00 -1.04 -1.23 105.19 108.23 3mjw n GLY 1079Ca -0.16 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3mjw n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mjw n TRP 1080N 1.11 0.00 -0.41 1.61 7.02 -1.26 -4.63 117.44 120.88 3mjw n TRP 1080Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 3mjw n TRP 1080Cb 0.00 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 28.82 3mjw n TRP 1080CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3mjw n THR 1081N -0.37 -0.62 -0.16 -0.99 -1.04 -0.36 -0.86 114.28 109.87 3mjw n THR 1081Ca 0.09 2.38 -0.10 0.00 -2.04 0.00 0.00 64.05 64.38 3mjw n THR 1081Cb 0.43 -3.02 -0.00 0.00 -1.82 0.00 0.00 70.33 65.92 3mjw n THR 1081CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3mjw h VAL 1082N 0.00 1.25 -0.97 12.58 2.07 -1.83 -1.46 116.25 127.90 3mjw h VAL 1082Ca 0.22 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3mjw h VAL 1082Cb 0.47 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3mjw h VAL 1082CO -0.96 0.33 0.63 1.56 0.02 0.00 0.00 177.57 179.15 3mjw h GLN 1083N 0.64 1.18 -0.42 1.57 1.08 -1.52 0.30 115.11 117.93 3mjw h GLN 1083Ca 0.14 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 3mjw h GLN 1083Cb 0.41 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3mjw h GLN 1083CO 0.01 0.78 -0.26 0.74 -0.95 0.00 0.00 178.83 179.15 3mjw h PHE 1084N 1.21 1.08 -0.20 2.96 0.04 -0.84 -2.70 116.94 118.50 3mjw h PHE 1084Ca 0.39 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3mjw h PHE 1084Cb 0.02 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3mjw h PHE 1084CO -0.01 1.10 -0.09 -0.91 -0.60 0.00 0.00 178.31 177.80 3mjw h ASN 1085N 0.76 0.29 -0.83 2.17 4.21 -0.53 -1.89 115.58 119.77 3mjw h ASN 1085Ca 0.09 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 3mjw h ASN 1085Cb 0.84 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.93 3mjw h ASN 1085CO 0.07 0.42 0.51 -0.50 -1.29 0.00 0.00 177.43 176.65 3mjw h TRP 1086N 0.30 1.08 -0.60 1.19 -0.00 -0.21 -2.95 115.95 114.75 3mjw h TRP 1086Ca 0.06 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.01 3mjw h TRP 1086Cb 0.35 -0.36 -0.05 0.00 -0.00 0.00 0.00 29.16 29.10 3mjw h TRP 1086CO 0.01 0.71 0.32 0.74 -0.00 0.00 0.00 178.44 180.22 3mjw h PHE 1087N 1.14 0.58 -2.19 0.49 0.04 -1.02 -3.41 116.94 112.58 3mjw h PHE 1087Ca 0.30 0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.51 3mjw h PHE 1087Cb -0.07 -0.17 0.03 0.00 2.20 0.00 0.00 35.95 37.94 3mjw h PHE 1087CO 0.00 0.28 1.06 1.28 -0.60 0.00 0.00 178.31 180.33 3mjw n LEU 1088N -4.83 3.56 0.00 1.54 4.32 -1.12 -5.14 117.00 115.33 3mjw n LEU 1088Ca 0.07 0.99 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 3mjw n LEU 1088Cb 0.16 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.53 3mjw n LEU 1088CO 0.29 -0.03 0.11 1.41 -1.22 0.00 0.00 177.39 177.94