#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6s n THR 114 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -2.65 114.28 112.41 3i6s n THR 114 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3i6s n THR 114 Cb 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3i6s n THR 114 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3i6s n HIS 115 N -1.12 0.00 -0.31 4.78 -0.00 -1.26 -4.65 115.22 112.65 3i6s n HIS 115 Ca 0.10 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.97 3i6s n HIS 115 Cb 0.32 0.00 0.33 0.00 -0.00 0.00 0.00 29.99 30.64 3i6s n HIS 115 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3i6s h THR 116 N 0.00 0.47 0.00 3.57 2.02 -1.95 0.33 112.91 117.34 3i6s h THR 116 Ca 0.00 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 3i6s h THR 116 Cb 0.16 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3i6s h THR 116 CO 0.00 0.08 -0.51 0.77 0.37 0.00 0.00 175.52 176.22 3i6s h SER 117 N 0.42 0.00 -0.43 4.18 4.64 -1.90 -2.12 113.55 118.33 3i6s h SER 117 Ca 0.58 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.80 3i6s h SER 117 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3i6s h SER 117 CO -0.53 0.51 -0.14 0.44 -0.87 0.00 0.00 176.83 176.25 3i6s h ASP 118 N 0.00 0.87 0.04 4.97 3.32 -0.65 -0.68 116.42 124.29 3i6s h ASP 118 Ca -0.01 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 3i6s h ASP 118 Cb 0.95 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3i6s h ASP 118 CO 0.07 1.05 -0.03 0.15 -1.72 0.00 0.00 179.24 178.76 3i6s h PHE 119 N 0.69 0.00 -0.01 4.55 -0.00 -0.74 -0.22 116.94 121.20 3i6s h PHE 119 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 3i6s h PHE 119 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.63 3i6s h PHE 119 CO 0.05 0.03 -0.11 1.28 -0.00 0.00 0.00 178.31 179.56 3i6s n LEU 120 N -4.22 1.56 0.00 0.59 4.77 -0.83 -4.93 117.00 113.94 3i6s n LEU 120 Ca -0.03 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3i6s n LEU 120 Cb 0.11 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3i6s n LEU 120 CO 0.32 0.27 0.00 0.29 -1.33 0.00 0.00 177.39 176.94 3i6s n LYS 121 N 0.05 -0.07 -2.06 3.23 5.02 -0.10 -4.51 118.16 119.72 3i6s n LYS 121 Ca 0.16 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 3i6s n LYS 121 Cb 0.39 -2.89 -0.01 0.00 -0.02 0.00 0.00 35.03 32.50 3i6s n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i6s s LEU 122 N 0.00 4.24 0.05 -0.35 1.43 -0.31 -4.98 118.68 118.77 3i6s s LEU 122 Ca 0.00 2.65 -0.27 0.00 -1.03 0.00 0.00 54.13 55.49 3i6s s LEU 122 Cb 0.00 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.44 3i6s s LEU 122 CO 0.00 -0.81 0.82 0.54 0.23 0.00 0.00 176.35 177.14 3i6s s ASN 123 N -0.71 -0.39 0.43 2.29 4.22 -1.26 -4.51 114.94 115.01 3i6s s ASN 123 Ca 0.56 -0.05 0.24 0.00 -2.14 0.00 0.00 52.86 51.47 3i6s s ASN 123 Cb -0.38 0.45 0.72 0.00 1.28 0.00 0.00 41.25 43.32 3i6s s ASN 123 CO 0.49 -0.74 1.74 -0.65 -2.04 0.00 0.00 177.10 175.89 3i6s h PRO 124 N 2.00 0.00 0.61 3.55 0.11 -1.97 -3.34 132.00 132.96 3i6s h PRO 124 Ca -0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 3i6s h PRO 124 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i6s h PRO 124 CO 0.32 0.18 -0.29 0.77 -0.21 0.00 0.00 178.00 178.77 3i6s h SER 125 N 0.00 -0.69 -5.43 -2.05 0.02 -1.99 -3.39 113.55 100.01 3i6s h SER 125 Ca -0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 3i6s h SER 125 Cb 0.88 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.48 3i6s h SER 125 CO 0.02 -0.31 -0.32 -0.94 -1.14 0.00 0.00 176.83 174.14 3i6s s SER 126 N -4.62 0.19 0.00 3.07 1.04 -1.25 -4.85 113.70 107.28 3i6s s SER 126 Ca -0.14 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.09 3i6s s SER 126 Cb 0.02 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3i6s s SER 126 CO 0.43 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3i6s n GLY 127 N -0.37 -0.14 0.26 7.32 0.00 -1.26 -4.30 105.19 106.69 3i6s n GLY 127 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 3i6s n GLY 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i6s h LEU 128 N 0.00 0.90 0.35 0.99 6.46 -1.85 -2.91 115.31 119.25 3i6s h LEU 128 Ca 0.00 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.40 3i6s h LEU 128 Cb 0.00 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 3i6s h LEU 128 CO 0.00 1.04 -0.29 -0.50 -0.62 0.00 0.00 178.44 178.07 3i6s h TRP 129 N 0.74 -0.80 -0.23 1.25 4.06 -1.79 0.14 115.95 119.31 3i6s h TRP 129 Ca 0.12 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.11 3i6s h TRP 129 Cb 0.64 0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 3i6s h TRP 129 CO 0.05 -0.40 0.03 -1.00 -3.56 0.00 0.00 178.44 173.55 3i6s h PRO 130 N -0.62 0.11 -0.88 0.49 0.13 -1.72 0.48 132.00 129.99 3i6s h PRO 130 Ca -0.05 -0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.32 3i6s h PRO 130 Cb 0.53 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 3i6s h PRO 130 CO -0.00 0.07 0.62 0.00 -0.23 0.00 0.00 178.00 178.46 3i6s h ALA 131 N 1.18 2.65 -0.01 -0.56 0.00 -1.39 -2.19 119.26 118.94 3i6s h ALA 131 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i6s h ALA 131 Cb 0.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i6s h ALA 131 CO -0.16 -0.91 -0.18 -1.13 0.00 0.00 0.00 179.25 176.87 3i6s n SER 132 N -4.35 1.52 -3.02 0.00 3.41 0.47 -4.55 113.62 107.11 3i6s n SER 132 Ca 0.18 -1.26 -0.22 0.00 -0.26 0.00 0.00 58.87 57.31 3i6s n SER 132 Cb 0.87 0.34 0.04 0.00 -0.26 0.00 0.00 64.21 65.21 3i6s n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6s n GLY 133 N 0.89 -0.50 2.31 5.00 0.00 0.15 -1.44 105.19 111.60 3i6s n GLY 133 Ca 0.05 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 3i6s n GLY 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6s n LEU 134 N -4.07 -1.31 0.00 0.99 4.77 -0.08 -2.15 117.00 115.16 3i6s n LEU 134 Ca -0.10 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3i6s n LEU 134 Cb 0.61 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 3i6s n LEU 134 CO 0.48 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 3i6s n GLY 135 N -0.52 0.50 0.41 -0.72 0.00 -0.52 -1.12 105.19 103.22 3i6s n GLY 135 Ca -0.17 -0.33 0.20 0.00 0.00 0.00 0.00 46.02 45.72 3i6s n GLY 135 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3i6s h GLN 136 N 0.84 0.32 -0.63 1.61 3.07 -1.30 -0.36 115.11 118.67 3i6s h GLN 136 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3i6s h GLN 136 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.49 3i6s h GLN 136 CO 0.00 0.21 0.00 -3.47 0.09 0.00 0.00 178.83 175.66 3i6s n ASP 137 N -4.47 3.64 -4.53 0.06 4.64 -1.26 -4.57 116.55 110.06 3i6s n ASP 137 Ca 0.18 -2.15 -0.25 0.00 -1.38 0.00 0.00 54.79 51.19 3i6s n ASP 137 Cb 0.72 -0.46 -0.10 0.00 -1.04 0.00 0.00 41.12 40.24 3i6s n ASP 137 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i6s s VAL 138 N -1.43 2.38 -0.07 5.18 0.11 -0.14 -5.02 120.40 121.40 3i6s s VAL 138 Ca 0.42 -2.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.23 3i6s s VAL 138 Cb 0.24 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.56 3i6s s VAL 138 CO 0.25 -0.27 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.05 3i6s s ILE 139 N -2.56 0.82 -0.11 7.04 1.01 -1.26 -1.61 121.20 124.53 3i6s s ILE 139 Ca 0.32 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3i6s s ILE 139 Cb -0.00 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 3i6s s ILE 139 CO 0.16 0.31 -0.20 0.54 0.00 0.00 0.00 174.94 175.75 3i6s s VAL 140 N 1.23 2.39 -0.09 2.92 0.11 -0.70 -0.91 120.40 125.36 3i6s s VAL 140 Ca -0.05 -0.90 -0.10 0.00 -2.93 0.00 0.00 61.98 58.00 3i6s s VAL 140 Cb -0.14 -1.95 -0.05 0.00 -1.53 0.00 0.00 36.38 32.72 3i6s s VAL 140 CO -0.02 0.55 0.23 0.00 -3.33 0.00 0.00 175.10 172.53 3i6s s ALA 141 N 0.37 3.80 -0.29 1.54 0.00 0.10 -2.27 121.76 125.01 3i6s s ALA 141 Ca -0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3i6s s ALA 141 Cb -0.17 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.86 3i6s s ALA 141 CO 0.07 0.53 -0.02 0.08 0.00 0.00 0.00 175.76 176.43 3i6s s VAL 142 N -0.89 2.96 -0.49 0.00 1.01 -0.44 -0.23 120.40 122.32 3i6s s VAL 142 Ca 0.17 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 3i6s s VAL 142 Cb -0.13 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3i6s s VAL 142 CO 0.07 -0.04 1.08 -0.76 0.00 0.00 0.00 175.10 175.45 3i6s s LEU 143 N 1.27 3.73 0.35 3.92 1.02 -0.78 -1.80 118.68 126.39 3i6s s LEU 143 Ca -0.04 0.28 0.03 0.00 0.02 0.00 0.00 54.13 54.42 3i6s s LEU 143 Cb -0.19 -3.37 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 3i6s s LEU 143 CO -0.02 -1.23 0.09 -1.81 0.02 0.00 0.00 176.35 173.41 3i6s s ASP 144 N 2.49 2.40 -0.09 2.29 1.01 0.17 -4.52 116.67 120.43 3i6s s ASP 144 Ca 0.43 -1.51 0.09 0.00 0.71 0.00 0.00 52.55 52.28 3i6s s ASP 144 Cb -0.08 0.21 0.41 0.00 1.01 0.00 0.00 42.92 44.47 3i6s s ASP 144 CO 0.29 -0.77 1.20 -1.54 0.21 0.00 0.00 175.17 174.57 3i6s n SER 145 N -0.93 3.09 0.00 0.27 3.41 -1.26 -1.15 113.62 117.04 3i6s n SER 145 Ca -0.04 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 3i6s n SER 145 Cb 0.66 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3i6s n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6s n GLY 146 N 0.58 -0.62 3.35 5.00 0.00 -1.26 -4.13 105.19 108.10 3i6s n GLY 146 Ca 0.14 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3i6s n GLY 146 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i6s s ILE 147 N 0.00 0.04 -0.64 -0.61 2.07 0.13 -3.42 121.20 118.77 3i6s s ILE 147 Ca 0.00 -0.36 -0.13 0.00 -1.41 0.00 0.00 60.65 58.75 3i6s s ILE 147 Cb 0.00 -0.91 0.16 0.00 0.13 0.00 0.00 42.46 41.85 3i6s s ILE 147 CO 0.00 -0.20 0.57 0.86 -1.91 0.00 0.00 174.94 174.26 3i6s s TRP 148 N -2.13 3.49 0.32 3.50 -0.11 -1.26 -0.32 118.94 122.43 3i6s s TRP 148 Ca -0.07 -1.80 0.00 0.00 1.22 0.00 0.00 56.10 55.45 3i6s s TRP 148 Cb -0.01 -3.70 0.53 0.00 -1.50 0.00 0.00 33.47 28.79 3i6s s TRP 148 CO 0.00 -0.99 1.97 -1.00 -4.62 0.00 0.00 176.95 172.31 3i6s h PRO 149 N 8.22 0.93 0.00 5.86 0.13 -1.94 -2.90 132.00 142.30 3i6s h PRO 149 Ca -0.10 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3i6s h PRO 149 Cb 1.06 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3i6s h PRO 149 CO 0.87 0.64 0.00 -0.85 -0.23 0.00 0.00 178.00 178.43 3i6s n GLU 150 N -4.40 0.79 -2.13 0.86 0.00 -1.26 -4.62 120.64 109.87 3i6s n GLU 150 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.86 3i6s n GLU 150 Cb 0.06 -1.18 0.01 0.00 0.00 0.00 0.00 31.44 30.34 3i6s n GLU 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i6s s SER 151 N -1.49 5.82 0.46 -1.84 0.15 -1.10 -4.92 113.70 110.78 3i6s s SER 151 Ca 0.13 2.40 0.13 0.00 0.70 0.00 0.00 55.95 59.32 3i6s s SER 151 Cb 0.06 -2.61 1.08 0.00 -1.71 0.00 0.00 66.02 62.84 3i6s s SER 151 CO 0.10 -1.17 2.05 0.00 1.20 0.00 0.00 173.24 175.43 3i6s h ALA 152 N 1.70 1.97 0.00 5.45 0.00 -1.92 -0.69 119.26 125.77 3i6s h ALA 152 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i6s h ALA 152 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i6s h ALA 152 CO 0.59 -0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.58 3i6s h SER 153 N 0.30 0.00 -0.16 0.00 0.02 -1.89 -2.78 113.55 109.04 3i6s h SER 153 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3i6s h SER 153 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3i6s h SER 153 CO -0.03 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.15 3i6s n PHE 154 N -2.93 0.51 -2.48 3.45 0.99 -0.27 0.14 117.46 116.87 3i6s n PHE 154 Ca -0.02 -0.87 -0.25 0.00 -0.00 0.00 0.00 57.45 56.32 3i6s n PHE 154 Cb 0.11 -0.22 0.04 0.00 -1.00 0.00 0.00 39.48 38.42 3i6s n PHE 154 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3i6s s GLN 155 N -2.58 2.69 -0.48 -1.08 -1.52 -1.05 -4.32 119.66 111.32 3i6s s GLN 155 Ca 0.34 -0.28 0.07 0.00 -1.95 0.00 0.00 55.36 53.54 3i6s s GLN 155 Cb 0.28 -2.33 0.39 0.00 -0.22 0.00 0.00 33.01 31.13 3i6s s GLN 155 CO 0.07 -0.78 1.00 -0.40 -0.25 0.00 0.00 175.29 174.93 3i6s n ASP 156 N -2.55 4.05 -0.16 5.90 3.85 -1.26 -4.75 116.55 121.62 3i6s n ASP 156 Ca 0.06 -3.57 -0.10 0.00 -0.71 0.00 0.00 54.79 50.46 3i6s n ASP 156 Cb 0.59 -0.52 -0.00 0.00 -1.35 0.00 0.00 41.12 39.84 3i6s n ASP 156 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3i6s h ASP 157 N 2.81 0.87 -0.41 -1.12 5.19 -1.96 -3.19 116.42 118.61 3i6s h ASP 157 Ca 0.18 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3i6s h ASP 157 Cb 0.78 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3i6s h ASP 157 CO 0.78 1.00 0.00 0.61 -3.12 0.00 0.00 179.24 178.52 3i6s n GLY 158 N -0.28 3.37 3.66 2.75 0.00 -1.26 -5.01 105.19 108.42 3i6s n GLY 158 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3i6s n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i6s s MET 159 N -2.31 4.23 1.08 1.61 -1.94 -1.21 -5.06 119.30 115.71 3i6s s MET 159 Ca 0.43 0.74 -0.15 0.00 -1.71 0.00 0.00 55.69 55.00 3i6s s MET 159 Cb 0.32 -3.58 0.23 0.00 2.01 0.00 0.00 34.83 33.80 3i6s s MET 159 CO 0.15 -0.29 1.10 -1.25 -0.01 0.00 0.00 175.02 174.72 3i6s s PRO 160 N 2.05 -0.26 0.75 2.03 0.04 -1.26 -4.98 135.00 133.36 3i6s s PRO 160 Ca 0.31 0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 3i6s s PRO 160 Cb -0.16 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 3i6s s PRO 160 CO 0.11 -3.15 0.76 0.39 0.04 0.00 0.00 177.00 175.14 3i6s n GLU 161 N -4.43 0.31 -2.24 4.56 1.02 -1.26 -4.92 120.64 113.68 3i6s n GLU 161 Ca 0.08 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 3i6s n GLU 161 Cb 0.58 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3i6s n GLU 161 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i6s s ILE 162 N -1.95 3.42 0.27 -3.67 1.01 -1.26 -4.96 121.20 114.07 3i6s s ILE 162 Ca 0.68 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 3i6s s ILE 162 Cb -0.33 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 3i6s s ILE 162 CO 0.55 0.11 1.50 -0.81 0.00 0.00 0.00 174.94 176.29 3i6s n PRO 163 N 3.46 2.38 -0.35 2.79 -0.04 -1.26 -4.89 135.00 137.09 3i6s n PRO 163 Ca 0.09 0.85 0.06 0.00 -0.04 0.00 0.00 63.50 64.45 3i6s n PRO 163 Cb 0.43 -2.56 0.22 0.00 -0.04 0.00 0.00 33.50 31.54 3i6s n PRO 163 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3i6s h LYS 164 N 4.41 0.97 -1.09 0.54 2.10 -2.02 -2.10 116.57 119.37 3i6s h LYS 164 Ca -0.46 -0.06 0.42 0.00 -2.00 0.00 0.00 60.65 58.55 3i6s h LYS 164 Cb 1.25 -0.22 -0.15 0.00 -0.90 0.00 0.00 32.23 32.21 3i6s h LYS 164 CO 0.77 0.64 0.64 -2.13 -2.00 0.00 0.00 179.45 177.37 3i6s n ARG 165 N -4.62 -0.05 -2.62 0.07 0.63 -1.26 -4.51 116.66 104.30 3i6s n ARG 165 Ca 0.17 1.25 -0.41 0.00 -0.92 0.00 0.00 57.85 57.94 3i6s n ARG 165 Cb 0.31 -2.33 -0.04 0.00 0.45 0.00 0.00 32.46 30.85 3i6s n ARG 165 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 3i6s s TRP 166 N -5.31 3.66 -0.02 -0.14 -0.11 -0.79 -4.93 118.94 111.29 3i6s s TRP 166 Ca -0.08 1.64 0.03 0.00 1.22 0.00 0.00 56.10 58.91 3i6s s TRP 166 Cb 0.31 -3.19 0.05 0.00 -1.50 0.00 0.00 33.47 29.14 3i6s s TRP 166 CO 0.75 -0.29 0.99 1.63 -4.62 0.00 0.00 176.95 175.41 3i6s n LYS 167 N 3.23 0.28 -1.60 5.86 5.02 -1.26 -5.00 118.16 124.68 3i6s n LYS 167 Ca 0.05 -1.25 -0.34 0.00 -2.02 0.00 0.00 58.31 54.75 3i6s n LYS 167 Cb 0.49 -0.69 0.07 0.00 -0.02 0.00 0.00 35.03 34.88 3i6s n LYS 167 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i6s s GLY 168 N -1.26 2.31 0.32 0.72 0.00 -1.26 -5.03 107.32 103.13 3i6s s GLY 168 Ca 0.06 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.58 3i6s s GLY 168 CO 0.01 1.15 0.49 -0.26 0.00 0.00 0.00 173.10 174.49 3i6s s ILE 169 N -2.08 4.78 -0.88 0.90 -4.36 -1.26 -4.89 121.20 113.41 3i6s s ILE 169 Ca 0.72 -0.76 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 3i6s s ILE 169 Cb -0.26 -3.71 0.22 0.00 1.25 0.00 0.00 42.46 39.96 3i6s s ILE 169 CO 0.43 -0.37 0.77 0.00 0.24 0.00 0.00 174.94 176.01 3i6s s LYS 171 N -1.00 4.21 0.89 0.00 2.20 -0.12 -4.31 119.74 121.59 3i6s s LYS 171 Ca 0.25 2.09 -0.11 0.00 -0.36 0.00 0.00 55.97 57.85 3i6s s LYS 171 Cb -0.10 -3.86 0.13 0.00 -1.51 0.00 0.00 37.83 32.49 3i6s s LYS 171 CO -0.10 -0.78 1.11 -2.14 -0.36 0.00 0.00 175.35 173.09 3i6s s PRO 172 N 3.59 1.30 0.00 4.03 0.02 -1.26 -4.77 135.00 137.90 3i6s s PRO 172 Ca 0.69 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3i6s s PRO 172 Cb -0.32 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3i6s s PRO 172 CO 0.27 -2.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.01 3i6s n GLY 173 N -0.40 -0.97 3.62 0.52 0.00 0.35 -4.93 105.19 103.38 3i6s n GLY 173 Ca 0.10 -0.74 -0.49 0.00 0.00 0.00 0.00 46.02 44.89 3i6s n GLY 173 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i6s n THR 174 N 0.37 0.08 -2.54 2.61 -1.04 -0.93 -1.93 114.28 110.90 3i6s n THR 174 Ca 0.00 -0.02 -0.06 0.00 -2.04 0.00 0.00 64.05 61.92 3i6s n THR 174 Cb 0.00 -1.12 -0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3i6s n THR 174 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i6s n GLN 175 N 2.80 -2.66 -3.61 -2.82 6.02 -1.26 -4.61 117.38 111.23 3i6s n GLN 175 Ca 0.17 0.26 -0.11 0.00 -0.01 0.00 0.00 57.00 57.31 3i6s n GLN 175 Cb 0.23 -4.81 -0.11 0.00 1.02 0.00 0.00 30.24 26.58 3i6s n GLN 175 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3i6s s PHE 176 N -2.30 -0.65 0.40 1.08 5.36 -0.81 -4.96 117.98 116.10 3i6s s PHE 176 Ca 0.03 1.19 0.06 0.00 -0.96 0.00 0.00 56.93 57.25 3i6s s PHE 176 Cb -0.02 0.12 -0.07 0.00 -0.34 0.00 0.00 43.02 42.71 3i6s s PHE 176 CO 0.04 -0.47 0.02 0.54 -1.46 0.00 0.00 175.22 173.88 3i6s s ASN 177 N 2.53 3.70 0.00 6.13 2.20 -1.26 -0.50 114.94 127.74 3i6s s ASN 177 Ca 0.02 -1.38 0.12 0.00 -0.94 0.00 0.00 52.86 50.67 3i6s s ASN 177 Cb -0.13 -0.32 0.68 0.00 -2.00 0.00 0.00 41.25 39.49 3i6s s ASN 177 CO -0.12 -0.49 1.15 0.00 -2.94 0.00 0.00 177.10 174.71 3i6s n ALA 178 N -0.95 1.90 0.45 3.54 0.00 -1.26 -0.18 120.51 124.01 3i6s n ALA 178 Ca -0.05 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.42 3i6s n ALA 178 Cb 0.67 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 19.09 3i6s n ALA 178 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i6s n SER 179 N -1.04 3.08 0.00 0.00 3.41 -1.26 -4.44 113.62 113.37 3i6s n SER 179 Ca 0.08 -1.91 0.08 0.00 -0.26 0.00 0.00 58.87 56.87 3i6s n SER 179 Cb 0.05 -0.15 0.40 0.00 -0.26 0.00 0.00 64.21 64.25 3i6s n SER 179 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3i6s n MET 180 N 1.25 0.12 -3.09 4.33 1.56 0.75 -4.78 117.12 117.25 3i6s n MET 180 Ca 0.15 0.16 -0.21 0.00 -0.27 0.00 0.00 57.70 57.54 3i6s n MET 180 Cb 0.54 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.42 3i6s n MET 180 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i6s n ASN 182 N -1.97 0.00 0.00 0.00 0.23 0.29 -4.99 115.26 108.82 3i6s n ASN 182 Ca 0.02 -0.90 0.07 0.00 -0.53 0.00 0.00 54.58 53.24 3i6s n ASN 182 Cb 0.58 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.63 3i6s n ASN 182 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i6s n ARG 183 N 0.00 0.23 -0.02 -3.83 1.74 -1.26 -2.89 116.66 110.62 3i6s n ARG 183 Ca 0.00 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.18 3i6s n ARG 183 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 3i6s n ARG 183 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i6s n LYS 184 N -1.25 0.22 -2.78 5.56 3.00 -1.26 -4.76 118.16 116.88 3i6s n LYS 184 Ca 0.07 0.09 -0.43 0.00 -0.00 0.00 0.00 58.31 58.04 3i6s n LYS 184 Cb 0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 35.03 34.29 3i6s n LYS 184 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3i6s s LEU 185 N -6.86 4.48 0.27 3.14 0.20 -1.22 -0.44 118.68 118.24 3i6s s LEU 185 Ca -0.12 -2.35 0.23 0.00 0.69 0.00 0.00 54.13 52.58 3i6s s LEU 185 Cb 0.02 -2.47 0.20 0.00 -0.43 0.00 0.00 46.19 43.50 3i6s s LEU 185 CO 0.18 -1.07 1.30 0.16 -0.29 0.00 0.00 176.35 176.63 3i6s h ILE 186 N 5.56 0.00 -3.78 6.68 3.07 -0.98 0.83 117.51 128.89 3i6s h ILE 186 Ca 0.29 -0.91 -0.18 0.00 1.55 0.00 0.00 64.86 65.61 3i6s h ILE 186 Cb 0.93 1.61 -0.23 0.00 -0.27 0.00 0.00 36.82 38.86 3i6s h ILE 186 CO 1.30 0.00 -0.66 -0.83 -1.05 0.00 0.00 178.15 176.91 3i6s s GLY 187 N -4.18 0.11 -0.15 0.16 0.00 -1.02 -4.77 107.32 97.46 3i6s s GLY 187 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.43 3i6s s GLY 187 CO 0.73 -0.32 0.34 0.00 0.00 0.00 0.00 173.10 173.86 3i6s s ALA 188 N -0.90 -0.86 0.00 3.20 0.00 -0.82 -0.87 121.76 121.51 3i6s s ALA 188 Ca -0.10 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 3i6s s ALA 188 Cb -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3i6s s ALA 188 CO -0.00 -0.48 0.20 1.21 0.00 0.00 0.00 175.76 176.69 3i6s s ASN 189 N 1.96 -0.05 0.06 0.00 3.84 0.15 -0.95 114.94 119.95 3i6s s ASN 189 Ca -0.05 -0.12 0.01 0.00 0.21 0.00 0.00 52.86 52.91 3i6s s ASN 189 Cb -0.11 0.25 -0.03 0.00 -0.55 0.00 0.00 41.25 40.81 3i6s s ASN 189 CO -0.11 -0.41 -0.05 -0.72 -2.79 0.00 0.00 177.10 173.01 3i6s s TYR 190 N -1.46 0.65 -0.23 0.43 1.13 -1.26 -0.65 117.35 115.96 3i6s s TYR 190 Ca -0.14 -0.80 -0.04 0.00 -1.41 0.00 0.00 57.07 54.69 3i6s s TYR 190 Cb -0.06 -0.41 0.08 0.00 -1.10 0.00 0.00 41.96 40.46 3i6s s TYR 190 CO 0.02 -0.20 0.09 -0.06 -2.51 0.00 0.00 175.55 172.89 3i6s s PHE 191 N -2.86 0.65 0.00 -3.49 0.40 0.05 -4.92 117.98 107.82 3i6s s PHE 191 Ca 0.01 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 3i6s s PHE 191 Cb 0.00 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.56 3i6s s PHE 191 CO -0.04 -0.67 0.60 0.27 0.70 0.00 0.00 175.22 176.07 3i6s n ASN 192 N 5.15 1.11 -0.15 1.36 0.23 -1.26 -4.59 115.26 117.10 3i6s n ASN 192 Ca -0.07 -1.33 0.02 0.00 -0.53 0.00 0.00 54.58 52.68 3i6s n ASN 192 Cb 0.46 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.46 3i6s n ASN 192 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3i6s h LYS 193 N 0.00 0.83 -0.99 -3.83 1.57 -1.99 -0.72 116.57 111.45 3i6s h LYS 193 Ca 0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3i6s h LYS 193 Cb 0.32 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3i6s h LYS 193 CO 0.00 0.55 0.64 0.78 -0.57 0.00 0.00 179.45 180.85 3i6s h GLY 194 N 0.86 1.53 0.62 3.86 0.00 -1.94 0.50 103.07 108.49 3i6s h GLY 194 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3i6s h GLY 194 CO -0.06 0.28 -0.02 -2.22 0.00 0.00 0.00 176.54 174.52 3i6s h ILE 195 N 1.11 1.34 0.39 2.60 2.04 -1.50 -2.02 117.51 121.47 3i6s h ILE 195 Ca 0.45 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 3i6s h ILE 195 Cb 0.26 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3i6s h ILE 195 CO -0.19 0.28 -0.19 -0.07 0.00 0.00 0.00 178.15 177.98 3i6s h LEU 196 N -0.32 -0.44 -0.80 1.44 3.38 -1.12 -1.49 115.31 115.95 3i6s h LEU 196 Ca 0.01 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.10 3i6s h LEU 196 Cb 0.47 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 3i6s h LEU 196 CO 0.01 -0.20 0.21 0.00 0.09 0.00 0.00 178.44 178.55 3i6s h ALA 197 N -0.13 1.09 -0.50 1.53 0.00 -1.00 0.61 119.26 120.86 3i6s h ALA 197 Ca -0.05 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i6s h ALA 197 Cb 0.49 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3i6s h ALA 197 CO 0.09 -0.38 0.33 -0.97 0.00 0.00 0.00 179.25 178.32 3i6s h ASN 198 N 0.26 0.54 -0.65 0.00 -1.24 -1.00 -3.41 115.58 110.09 3i6s h ASN 198 Ca 0.47 -0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.56 3i6s h ASN 198 Cb 0.86 -0.13 -0.19 0.00 0.73 0.00 0.00 38.32 39.59 3i6s h ASN 198 CO -0.57 0.38 -0.23 -0.62 -1.29 0.00 0.00 177.43 175.11 3i6s s ASP 199 N -6.57 -1.04 0.07 1.15 -1.08 0.19 -5.00 116.67 104.38 3i6s s ASP 199 Ca -0.09 -0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.02 3i6s s ASP 199 Cb 0.18 1.56 0.61 0.00 -1.46 0.00 0.00 42.92 43.81 3i6s s ASP 199 CO 0.74 -0.17 1.44 -2.65 0.52 0.00 0.00 175.17 175.06 3i6s n PRO 200 N 4.93 0.05 0.00 4.34 -0.02 0.20 -1.89 135.00 142.61 3i6s n PRO 200 Ca 0.08 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3i6s n PRO 200 Cb 0.57 -1.60 0.47 0.00 -0.02 0.00 0.00 33.50 32.92 3i6s n PRO 200 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i6s n THR 201 N -1.69 0.52 -2.72 3.45 -1.04 -1.26 -4.84 114.28 106.70 3i6s n THR 201 Ca 0.02 0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 3i6s n THR 201 Cb 0.15 -0.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.82 3i6s n THR 201 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i6s s VAL 202 N -2.84 4.17 -0.51 12.58 1.01 -0.79 -5.02 120.40 128.99 3i6s s VAL 202 Ca 0.13 2.04 -0.15 0.00 0.00 0.00 0.00 61.98 64.01 3i6s s VAL 202 Cb 0.13 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.33 3i6s s VAL 202 CO 0.35 0.43 0.45 0.20 0.00 0.00 0.00 175.10 176.53 3i6s s ASN 203 N -0.76 6.08 -0.54 3.32 0.01 -1.26 -5.04 114.94 116.75 3i6s s ASN 203 Ca 0.43 -1.73 -0.28 0.00 -0.71 0.00 0.00 52.86 50.57 3i6s s ASN 203 Cb -0.26 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3i6s s ASN 203 CO 0.32 -0.79 1.39 -0.63 -1.51 0.00 0.00 177.10 175.88 3i6s s ILE 204 N 1.56 3.83 0.15 0.60 1.01 -1.26 -4.90 121.20 122.19 3i6s s ILE 204 Ca 0.04 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.26 3i6s s ILE 204 Cb -0.28 -4.43 0.01 0.00 0.01 0.00 0.00 42.46 37.77 3i6s s ILE 204 CO 0.03 -1.12 1.77 0.74 0.00 0.00 0.00 174.94 176.36 3i6s h THR 205 N 6.37 0.96 -3.33 2.92 2.02 -2.03 -3.24 112.91 116.59 3i6s h THR 205 Ca -0.27 -0.12 -0.70 0.00 0.77 0.00 0.00 66.41 66.09 3i6s h THR 205 Cb 1.09 0.59 -0.36 0.00 -1.74 0.00 0.00 68.15 67.73 3i6s h THR 205 CO 1.16 0.06 -0.13 -0.32 0.37 0.00 0.00 175.52 176.66 3i6s s MET 206 N -6.16 3.19 -1.45 6.66 -2.45 -1.26 -4.96 119.30 112.87 3i6s s MET 206 Ca -0.13 -3.22 -0.10 0.00 -1.25 0.00 0.00 55.69 50.99 3i6s s MET 206 Cb 0.11 -3.92 0.04 0.00 1.25 0.00 0.00 34.83 32.32 3i6s s MET 206 CO 0.71 -1.26 2.44 -1.71 1.05 0.00 0.00 175.02 176.25 3i6s n ASN 207 N 2.41 6.72 -0.93 1.11 2.85 -1.23 -4.81 115.26 121.38 3i6s n ASN 207 Ca 0.20 -2.88 0.00 0.00 -0.11 0.00 0.00 54.58 51.79 3i6s n ASN 207 Cb 0.37 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.87 3i6s n ASN 207 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i6s n SER 208 N 3.77 0.00 -0.23 1.20 3.41 -1.26 -2.18 113.62 118.33 3i6s n SER 208 Ca 0.61 -0.93 0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3i6s n SER 208 Cb 0.30 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.92 3i6s n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s n ALA 209 N -3.00 2.62 -1.93 7.33 0.00 -1.26 -4.87 120.51 119.39 3i6s n ALA 209 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3i6s n ALA 209 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3i6s n ALA 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i6s s ARG 210 N -1.97 4.28 -0.20 0.00 3.52 -1.26 0.21 118.95 123.53 3i6s s ARG 210 Ca 0.39 2.26 -0.24 0.00 -0.13 0.00 0.00 55.73 58.01 3i6s s ARG 210 Cb 0.20 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3i6s s ARG 210 CO 0.32 -0.44 0.80 0.34 -0.81 0.00 0.00 175.30 175.51 3i6s s ASP 211 N 0.60 6.88 -0.00 -2.12 -1.08 0.56 -4.53 116.67 116.97 3i6s s ASP 211 Ca 0.62 1.08 0.09 0.00 -0.52 0.00 0.00 52.55 53.82 3i6s s ASP 211 Cb -0.41 -2.43 0.25 0.00 -1.46 0.00 0.00 42.92 38.87 3i6s s ASP 211 CO 0.39 -0.42 1.21 0.35 0.52 0.00 0.00 175.17 177.22 3i6s n THR 212 N 4.92 1.02 -0.04 1.71 -2.24 -1.26 -4.68 114.28 113.70 3i6s n THR 212 Ca 0.04 -1.01 -0.09 0.00 -2.27 0.00 0.00 64.05 60.72 3i6s n THR 212 Cb 0.48 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3i6s n THR 212 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i6s n ASP 213 N 0.32 0.63 0.00 3.42 -0.08 -1.26 -5.02 116.55 114.57 3i6s n ASP 213 Ca 0.10 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 3i6s n ASP 213 Cb 0.40 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.62 3i6s n ASP 213 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i6s n GLY 214 N 2.49 2.64 0.28 0.27 0.00 -1.26 -4.95 105.19 104.66 3i6s n GLY 214 Ca -0.16 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.00 3i6s n GLY 214 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i6s h HIS 215 N 0.00 0.15 -0.38 1.61 6.17 -1.95 -0.20 115.15 120.55 3i6s h HIS 215 Ca 0.00 0.05 -0.12 0.00 0.71 0.00 0.00 60.37 61.01 3i6s h HIS 215 Cb 0.00 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 3i6s h HIS 215 CO 0.00 -0.19 -0.26 0.78 0.71 0.00 0.00 177.93 178.97 3i6s h GLY 216 N 0.17 0.86 0.96 5.26 0.00 -1.88 -1.29 103.07 107.17 3i6s h GLY 216 Ca 0.45 -0.77 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3i6s h GLY 216 CO -0.62 0.70 -0.20 -0.84 0.00 0.00 0.00 176.54 175.57 3i6s h THR 217 N 0.68 1.29 0.29 4.70 2.02 -1.30 -1.51 112.91 119.08 3i6s h THR 217 Ca 0.09 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 3i6s h THR 217 Cb 0.79 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3i6s h THR 217 CO 0.07 0.43 -0.19 -0.74 0.37 0.00 0.00 175.52 175.45 3i6s h HIS 218 N 0.48 -0.51 -0.53 3.16 6.17 -0.91 -2.06 115.15 120.94 3i6s h HIS 218 Ca 0.07 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.18 3i6s h HIS 218 Cb 0.75 0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.83 3i6s h HIS 218 CO 0.06 -0.30 0.31 0.00 0.71 0.00 0.00 177.93 178.71 3i6s h ALA 220 N 1.25 0.69 -0.19 0.00 0.00 -1.08 -2.04 119.26 117.89 3i6s h ALA 220 Ca 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3i6s h ALA 220 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i6s h ALA 220 CO -0.11 0.00 -0.54 0.66 0.00 0.00 0.00 179.25 179.26 3i6s h SER 221 N 0.61 0.62 -0.83 0.00 4.64 -1.13 -1.58 113.55 115.88 3i6s h SER 221 Ca 0.22 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3i6s h SER 221 Cb 0.06 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 3i6s h SER 221 CO -0.12 1.04 0.55 0.40 -0.87 0.00 0.00 176.83 177.83 3i6s h ILE 222 N 0.44 1.16 0.22 0.95 2.04 -1.03 0.91 117.51 122.20 3i6s h ILE 222 Ca 0.01 -0.36 -0.34 0.00 1.00 0.00 0.00 64.86 65.17 3i6s h ILE 222 Cb 1.08 0.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3i6s h ILE 222 CO 0.10 0.19 -1.61 0.00 0.00 0.00 0.00 178.15 176.84 3i6s h THR 223 N 1.06 1.10 0.00 -0.27 1.03 -1.16 -1.45 112.91 113.22 3i6s h THR 223 Ca 0.32 -2.59 -0.12 0.00 -0.01 0.00 0.00 66.41 64.01 3i6s h THR 223 Cb -0.02 2.90 -0.22 0.00 -1.07 0.00 0.00 68.15 69.73 3i6s h THR 223 CO -0.09 0.83 -0.64 0.00 -0.01 0.00 0.00 175.52 175.62 3i6s n ALA 224 N -2.80 2.72 -1.72 0.00 0.00 -0.61 -2.54 120.51 115.56 3i6s n ALA 224 Ca -0.21 -1.44 -0.42 0.00 0.00 0.00 0.00 53.44 51.36 3i6s n ALA 224 Cb 1.08 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3i6s n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6s n GLY 225 N 0.23 0.87 3.86 0.00 0.00 0.32 -4.64 105.19 105.83 3i6s n GLY 225 Ca -0.06 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 3i6s n GLY 225 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i6s s ASN 226 N -0.03 6.35 0.07 1.61 3.84 0.12 0.59 114.94 127.48 3i6s s ASN 226 Ca 0.59 1.47 -0.35 0.00 0.21 0.00 0.00 52.86 54.78 3i6s s ASN 226 Cb -0.55 -2.48 -0.14 0.00 -0.55 0.00 0.00 41.25 37.52 3i6s s ASN 226 CO 0.58 -0.78 1.60 0.49 -2.79 0.00 0.00 177.10 176.20 3i6s n PHE 227 N -2.36 2.12 -3.85 0.43 3.01 -1.25 -4.40 117.46 111.16 3i6s n PHE 227 Ca 0.06 0.30 -0.29 0.00 1.01 0.00 0.00 57.45 58.53 3i6s n PHE 227 Cb 0.54 -2.52 -0.16 0.00 -0.01 0.00 0.00 39.48 37.33 3i6s n PHE 227 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6s s ALA 228 N 1.65 1.52 0.44 4.37 0.00 0.60 -4.85 121.76 125.49 3i6s s ALA 228 Ca 0.84 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 3i6s s ALA 228 Cb -0.76 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 3i6s s ALA 228 CO 0.44 -1.14 1.21 0.15 0.00 0.00 0.00 175.76 176.43 3i6s s LYS 229 N 1.61 3.81 -1.33 0.00 -0.14 -1.26 -1.14 119.74 121.28 3i6s s LYS 229 Ca -0.03 1.92 -0.07 0.00 -1.36 0.00 0.00 55.97 56.42 3i6s s LYS 229 Cb -0.18 -2.53 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 3i6s s LYS 229 CO -0.07 -0.55 1.16 0.41 -0.76 0.00 0.00 175.35 175.54 3i6s n GLY 230 N 0.57 -0.52 3.81 -3.33 0.00 -1.04 -4.94 105.19 99.75 3i6s n GLY 230 Ca 0.06 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 3i6s n GLY 230 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i6s s VAL 231 N -3.33 3.74 0.17 1.61 -7.23 -0.61 -4.90 120.40 109.85 3i6s s VAL 231 Ca 0.49 -1.47 -0.24 0.00 -1.81 0.00 0.00 61.98 58.95 3i6s s VAL 231 Cb -0.22 -3.20 0.07 0.00 0.56 0.00 0.00 36.38 33.60 3i6s s VAL 231 CO 0.73 -0.25 1.00 -0.94 -0.31 0.00 0.00 175.10 175.33 3i6s s SER 232 N -3.90 -0.09 -0.91 4.85 1.04 -1.26 -1.69 113.70 111.74 3i6s s SER 232 Ca 0.37 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 3i6s s SER 232 Cb -0.06 0.50 0.23 0.00 0.10 0.00 0.00 66.02 66.79 3i6s s SER 232 CO 0.25 -0.95 0.85 -2.28 0.98 0.00 0.00 173.24 172.09 3i6s s HIS 233 N -2.77 3.91 -1.47 5.02 2.46 0.53 -4.48 115.29 118.50 3i6s s HIS 233 Ca 0.16 -2.35 -0.09 0.00 0.47 0.00 0.00 55.06 53.26 3i6s s HIS 233 Cb -0.02 -3.73 0.06 0.00 -0.13 0.00 0.00 32.58 28.76 3i6s s HIS 233 CO 0.04 -0.95 0.82 1.19 -2.47 0.00 0.00 174.74 173.37 3i6s n PHE 234 N 3.41 -2.07 0.00 3.88 3.01 -1.26 -1.47 117.46 122.95 3i6s n PHE 234 Ca 0.17 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.49 3i6s n PHE 234 Cb 0.43 -4.00 0.00 0.00 -0.01 0.00 0.00 39.48 35.90 3i6s n PHE 234 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i6s n GLY 235 N -1.67 3.28 3.85 1.37 0.00 -1.26 -4.48 105.19 106.27 3i6s n GLY 235 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3i6s n GLY 235 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i6s s TYR 236 N -2.60 3.37 -1.47 1.61 2.02 -0.54 -4.20 117.35 115.53 3i6s s TYR 236 Ca 0.00 1.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 3i6s s TYR 236 Cb 0.00 -2.57 0.06 0.00 -0.40 0.00 0.00 41.96 39.05 3i6s s TYR 236 CO 0.00 0.04 0.89 0.00 -1.57 0.00 0.00 175.55 174.91 3i6s n ALA 237 N -0.50 -1.50 -1.32 3.71 0.00 -1.26 -0.35 120.51 119.30 3i6s n ALA 237 Ca 0.04 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 3i6s n ALA 237 Cb 0.53 -3.71 0.08 0.00 0.00 0.00 0.00 19.45 16.35 3i6s n ALA 237 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i6s s PRO 238 N -6.46 2.38 0.00 0.00 0.04 -1.26 -4.58 135.00 125.12 3i6s s PRO 238 Ca 0.47 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3i6s s PRO 238 Cb -0.24 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3i6s s PRO 238 CO 0.83 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3i6s n GLY 239 N -1.34 0.47 3.66 0.56 0.00 -0.68 -4.96 105.19 102.90 3i6s n GLY 239 Ca 0.09 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3i6s n GLY 239 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6s s THR 240 N -3.32 5.29 0.20 2.61 2.01 -1.26 -1.57 115.64 119.60 3i6s s THR 240 Ca 0.00 0.38 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 3i6s s THR 240 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 3i6s s THR 240 CO 0.00 0.30 0.66 0.00 -0.69 0.00 0.00 174.62 174.90 3i6s s ALA 241 N 1.19 3.47 -0.05 7.40 0.00 -0.29 -4.15 121.76 129.33 3i6s s ALA 241 Ca 0.12 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3i6s s ALA 241 Cb -0.14 -2.71 0.08 0.00 0.00 0.00 0.00 23.12 20.34 3i6s s ALA 241 CO 0.06 0.37 0.70 -0.98 0.00 0.00 0.00 175.76 175.92 3i6s s ARG 242 N -2.02 1.03 0.88 0.00 3.03 -1.08 -0.29 118.95 120.50 3i6s s ARG 242 Ca 0.42 0.20 -0.11 0.00 2.03 0.00 0.00 55.73 58.27 3i6s s ARG 242 Cb -0.16 0.49 0.12 0.00 -1.03 0.00 0.00 34.95 34.37 3i6s s ARG 242 CO 0.20 -0.33 1.10 0.20 -1.13 0.00 0.00 175.30 175.34 3i6s s GLY 243 N -1.29 1.65 0.61 3.88 0.00 0.20 -4.78 107.32 107.58 3i6s s GLY 243 Ca -0.09 0.23 0.33 0.00 0.00 0.00 0.00 44.72 45.18 3i6s s GLY 243 CO 0.08 0.67 2.25 -0.24 0.00 0.00 0.00 173.10 175.85 3i6s h VAL 244 N -1.60 0.39 -2.87 1.40 3.04 -1.28 -3.15 116.25 112.18 3i6s h VAL 244 Ca -0.47 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 64.61 3i6s h VAL 244 Cb 1.27 0.96 -0.40 0.00 -2.01 0.00 0.00 31.29 31.11 3i6s h VAL 244 CO 0.49 0.00 -0.74 0.00 -1.01 0.00 0.00 177.57 176.31 3i6s s ALA 245 N -4.52 2.56 0.57 3.17 0.00 -1.05 -4.84 121.76 117.65 3i6s s ALA 245 Ca -0.05 -3.00 0.40 0.00 0.00 0.00 0.00 51.96 49.31 3i6s s ALA 245 Cb 0.14 -1.91 2.17 0.00 0.00 0.00 0.00 23.12 23.52 3i6s s ALA 245 CO 0.51 -2.05 2.22 -1.35 0.00 0.00 0.00 175.76 175.09 3i6s h PRO 246 N 5.98 0.00 -0.10 0.00 0.11 -1.63 -2.14 132.00 134.21 3i6s h PRO 246 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3i6s h PRO 246 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3i6s h PRO 246 CO 0.54 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.87 3i6s n ARG 247 N -2.95 2.32 -1.95 1.05 1.74 -0.28 -4.24 116.66 112.35 3i6s n ARG 247 Ca -0.03 -1.52 -0.37 0.00 -0.77 0.00 0.00 57.85 55.16 3i6s n ARG 247 Cb 0.12 -1.09 0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3i6s n ARG 247 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6s s ALA 248 N -0.88 2.69 0.23 7.54 0.00 -0.81 -2.90 121.76 127.64 3i6s s ALA 248 Ca 0.08 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 3i6s s ALA 248 Cb 0.04 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3i6s s ALA 248 CO 0.06 -1.19 0.80 1.03 0.00 0.00 0.00 175.76 176.46 3i6s s ARG 249 N -3.08 4.45 -0.18 0.00 1.81 -0.63 -4.92 118.95 116.41 3i6s s ARG 249 Ca 0.74 1.09 -0.07 0.00 -1.72 0.00 0.00 55.73 55.78 3i6s s ARG 249 Cb -0.34 -2.99 -0.04 0.00 -0.45 0.00 0.00 34.95 31.13 3i6s s ARG 249 CO 0.39 0.43 0.04 -0.51 -0.68 0.00 0.00 175.30 174.96 3i6s s LEU 250 N -1.71 3.69 -0.21 2.53 1.43 0.41 -1.72 118.68 123.10 3i6s s LEU 250 Ca 0.42 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3i6s s LEU 250 Cb -0.19 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3i6s s LEU 250 CO 0.24 0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.85 3i6s s ALA 251 N 0.36 2.30 -0.12 4.21 0.00 -0.96 -1.12 121.76 126.43 3i6s s ALA 251 Ca 0.01 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 3i6s s ALA 251 Cb -0.13 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 3i6s s ALA 251 CO 0.01 -0.79 0.36 0.08 0.00 0.00 0.00 175.76 175.41 3i6s s VAL 252 N 1.26 5.23 -0.25 0.00 1.01 -0.05 -1.33 120.40 126.28 3i6s s VAL 252 Ca -0.02 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 3i6s s VAL 252 Cb -0.16 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3i6s s VAL 252 CO -0.09 0.42 0.01 -0.31 0.00 0.00 0.00 175.10 175.13 3i6s s TYR 253 N 0.16 2.08 -0.31 5.22 1.51 -0.75 -0.68 117.35 124.59 3i6s s TYR 253 Ca 0.20 -1.67 -0.15 0.00 -1.01 0.00 0.00 57.07 54.43 3i6s s TYR 253 Cb -0.14 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3i6s s TYR 253 CO 0.07 -0.78 0.39 0.21 -1.11 0.00 0.00 175.55 174.33 3i6s s LYS 254 N 1.50 3.80 0.00 -0.62 2.20 0.17 0.43 119.74 127.22 3i6s s LYS 254 Ca 0.00 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3i6s s LYS 254 Cb -0.18 -3.73 -0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3i6s s LYS 254 CO -0.11 -0.42 0.15 1.97 -0.36 0.00 0.00 175.35 176.58 3i6s n PHE 255 N 5.41 0.00 -3.71 4.03 1.16 -0.30 -0.77 117.46 123.27 3i6s n PHE 255 Ca -0.08 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.12 3i6s n PHE 255 Cb 0.50 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.25 3i6s n PHE 255 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3i6s s SER 256 N -0.79 5.31 0.18 5.98 0.15 -0.74 -4.22 113.70 119.57 3i6s s SER 256 Ca 0.00 -0.42 0.11 0.00 0.70 0.00 0.00 55.95 56.35 3i6s s SER 256 Cb 0.00 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 3i6s s SER 256 CO 0.02 -0.13 -0.24 -0.36 1.20 0.00 0.00 173.24 173.73 3i6s s PHE 257 N 1.60 2.28 0.37 3.44 0.40 -0.62 -4.33 117.98 121.10 3i6s s PHE 257 Ca 0.05 -0.37 0.12 0.00 -0.60 0.00 0.00 56.93 56.13 3i6s s PHE 257 Cb -0.16 -1.15 0.91 0.00 0.51 0.00 0.00 43.02 43.13 3i6s s PHE 257 CO 0.05 0.45 1.83 -0.97 0.70 0.00 0.00 175.22 177.28 3i6s h ASN 258 N 3.36 0.59 0.32 1.36 -0.00 -1.96 -0.35 115.58 118.91 3i6s h ASN 258 Ca -0.47 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 3i6s h ASN 258 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 3i6s h ASN 258 CO 0.46 0.24 -0.01 -0.62 -0.00 0.00 0.00 177.43 177.50 3i6s n GLU 259 N -4.60 0.70 0.00 6.67 4.71 -1.26 -4.94 120.64 121.92 3i6s n GLU 259 Ca 0.20 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3i6s n GLU 259 Cb 0.61 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 3i6s n GLU 259 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i6s n GLY 260 N 1.18 3.42 2.98 0.62 0.00 -0.14 -5.09 105.19 108.16 3i6s n GLY 260 Ca 0.18 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 3i6s n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6s s THR 261 N -2.00 1.17 -0.14 2.61 2.01 -1.26 -1.59 115.64 116.44 3i6s s THR 261 Ca 0.00 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3i6s s THR 261 Cb 0.00 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.40 3i6s s THR 261 CO 0.00 0.38 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.74 3i6s s PHE 262 N 1.17 2.57 0.15 4.92 0.40 -1.26 -5.02 117.98 120.91 3i6s s PHE 262 Ca -0.04 -1.31 -0.16 0.00 -0.60 0.00 0.00 56.93 54.82 3i6s s PHE 262 Cb -0.14 -1.76 0.09 0.00 0.51 0.00 0.00 43.02 41.72 3i6s s PHE 262 CO -0.03 -0.61 1.09 2.41 0.70 0.00 0.00 175.22 178.78 3i6s n THR 263 N 4.14 -0.41 0.01 0.64 -1.04 -1.26 -0.39 114.28 115.98 3i6s n THR 263 Ca -0.20 1.67 0.01 0.00 -2.04 0.00 0.00 64.05 63.49 3i6s n THR 263 Cb 0.51 -2.16 0.32 0.00 -1.82 0.00 0.00 70.33 67.19 3i6s n THR 263 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3i6s h SER 264 N 0.00 0.47 -0.52 8.00 4.64 -1.99 -0.58 113.55 123.57 3i6s h SER 264 Ca 0.20 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3i6s h SER 264 Cb 0.37 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3i6s h SER 264 CO -0.69 0.52 0.06 0.44 -0.87 0.00 0.00 176.83 176.29 3i6s h ASP 265 N 0.49 0.84 0.04 4.97 3.32 -1.05 0.79 116.42 125.83 3i6s h ASP 265 Ca 0.11 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3i6s h ASP 265 Cb 0.27 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3i6s h ASP 265 CO 0.00 0.90 -0.26 0.25 -1.72 0.00 0.00 179.24 178.42 3i6s h LEU 266 N 0.74 -0.75 -0.84 1.55 5.85 0.06 0.87 115.31 122.80 3i6s h LEU 266 Ca 0.15 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3i6s h LEU 266 Cb 0.43 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3i6s h LEU 266 CO 0.01 -0.33 0.54 0.40 -0.34 0.00 0.00 178.44 178.72 3i6s h ILE 267 N -0.42 1.13 -0.49 4.05 2.04 -0.98 -1.18 117.51 121.66 3i6s h ILE 267 Ca 0.05 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3i6s h ILE 267 Cb 0.49 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3i6s h ILE 267 CO -0.20 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.23 3i6s h ALA 268 N 1.35 1.24 0.04 1.87 0.00 -0.45 -0.70 119.26 122.62 3i6s h ALA 268 Ca 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i6s h ALA 268 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i6s h ALA 268 CO -0.12 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 3i6s h ALA 269 N 1.37 -0.06 -0.06 0.00 0.00 -0.12 -1.95 119.26 118.44 3i6s h ALA 269 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3i6s h ALA 269 Cb 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3i6s h ALA 269 CO 0.00 -0.39 -0.12 0.52 0.00 0.00 0.00 179.25 179.27 3i6s h MET 270 N -0.35 -0.16 -0.73 0.00 2.07 -1.03 -1.00 114.93 113.71 3i6s h MET 270 Ca -0.01 0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.70 3i6s h MET 270 Cb 0.32 0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 30.03 3i6s h MET 270 CO 0.01 -0.11 0.42 -0.44 1.07 0.00 0.00 176.91 177.87 3i6s h ASP 271 N -0.17 0.64 -0.49 1.22 3.32 -1.15 0.58 116.42 120.36 3i6s h ASP 271 Ca 0.06 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3i6s h ASP 271 Cb 0.26 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3i6s h ASP 271 CO -0.16 0.41 0.18 -0.61 -1.72 0.00 0.00 179.24 177.33 3i6s h GLN 272 N 0.77 0.81 -0.11 3.56 5.75 -1.02 0.69 115.11 125.56 3i6s h GLN 272 Ca 0.33 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3i6s h GLN 272 Cb 0.20 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 3i6s h GLN 272 CO -0.19 0.70 -0.04 0.00 -2.65 0.00 0.00 178.83 176.65 3i6s h ALA 273 N 1.40 0.16 -0.42 3.38 0.00 0.26 0.18 119.26 124.22 3i6s h ALA 273 Ca 0.18 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i6s h ALA 273 Cb 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3i6s h ALA 273 CO -0.01 -0.08 0.21 0.28 0.00 0.00 0.00 179.25 179.64 3i6s h VAL 274 N -0.12 0.97 0.00 0.00 2.07 -0.80 -1.77 116.25 116.60 3i6s h VAL 274 Ca 0.03 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3i6s h VAL 274 Cb 0.48 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3i6s h VAL 274 CO 0.01 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 3i6s h ALA 275 N 1.22 1.84 0.00 1.67 0.00 -0.71 -1.11 119.26 122.17 3i6s h ALA 275 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6s h ALA 275 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i6s h ALA 275 CO -0.13 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.90 3i6s n ASP 276 N -4.33 0.18 0.00 0.00 10.43 0.04 -4.90 116.55 117.97 3i6s n ASP 276 Ca -0.03 0.52 0.00 0.00 2.57 0.00 0.00 54.79 57.85 3i6s n ASP 276 Cb 0.11 -0.57 0.00 0.00 1.84 0.00 0.00 41.12 42.50 3i6s n ASP 276 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i6s n GLY 277 N 1.08 0.85 3.76 0.44 0.00 -0.42 -4.67 105.19 106.24 3i6s n GLY 277 Ca 0.06 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3i6s n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 278 N -2.00 2.17 0.06 1.61 1.01 -1.11 -4.96 120.40 117.18 3i6s s VAL 278 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3i6s s VAL 278 Cb 0.00 -3.09 -0.25 0.00 0.00 0.00 0.00 36.38 33.04 3i6s s VAL 278 CO 0.00 0.02 1.06 0.44 0.00 0.00 0.00 175.10 176.61 3i6s h ASP 279 N 2.26 0.25 -5.09 3.32 5.19 -1.39 -3.46 116.42 117.49 3i6s h ASP 279 Ca -0.51 -0.30 -0.11 0.00 -0.62 0.00 0.00 57.03 55.50 3i6s h ASP 279 Cb 1.27 -0.08 -0.16 0.00 0.18 0.00 0.00 39.33 40.53 3i6s h ASP 279 CO 0.61 1.24 -0.40 -0.04 -3.12 0.00 0.00 179.24 177.53 3i6s s MET 280 N -2.66 0.72 -0.06 3.56 -1.94 -0.83 -4.17 119.30 113.92 3i6s s MET 280 Ca -0.04 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 3i6s s MET 280 Cb 0.08 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.22 3i6s s MET 280 CO 0.85 -0.21 -0.18 0.42 -0.01 0.00 0.00 175.02 175.89 3i6s s ILE 281 N -2.89 1.53 -0.15 2.53 1.01 -0.61 -0.72 121.20 121.90 3i6s s ILE 281 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3i6s s ILE 281 Cb 0.00 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3i6s s ILE 281 CO -0.06 0.44 -0.18 -0.55 0.00 0.00 0.00 174.94 174.59 3i6s s SER 282 N 0.22 3.39 -0.06 3.58 0.15 0.68 -0.56 113.70 121.09 3i6s s SER 282 Ca -0.09 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.00 3i6s s SER 282 Cb -0.14 -1.51 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 3i6s s SER 282 CO 0.04 0.07 0.05 -0.51 1.20 0.00 0.00 173.24 174.09 3i6s s ILE 283 N 0.89 0.00 -0.95 6.45 2.07 -0.39 -1.87 121.20 127.40 3i6s s ILE 283 Ca -0.05 0.29 -0.00 0.00 -1.41 0.00 0.00 60.65 59.49 3i6s s ILE 283 Cb -0.15 -0.28 0.32 0.00 0.13 0.00 0.00 42.46 42.48 3i6s s ILE 283 CO -0.02 0.14 1.64 -1.20 -1.91 0.00 0.00 174.94 173.59 3i6s n SER 284 N 5.26 6.75 -3.96 4.50 7.64 -1.26 -3.19 113.62 129.36 3i6s n SER 284 Ca -0.04 -3.67 -0.09 0.00 1.01 0.00 0.00 58.87 56.08 3i6s n SER 284 Cb 0.50 -1.06 -0.09 0.00 -1.01 0.00 0.00 64.21 62.54 3i6s n SER 284 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i6s s TYR 285 N -4.06 0.27 -0.15 1.43 1.51 -1.26 -4.87 117.35 110.22 3i6s s TYR 285 Ca 0.40 -0.64 -0.27 0.00 -1.01 0.00 0.00 57.07 55.55 3i6s s TYR 285 Cb 0.20 -0.19 0.07 0.00 -0.11 0.00 0.00 41.96 41.92 3i6s s TYR 285 CO -0.11 -0.37 0.67 0.20 -1.11 0.00 0.00 175.55 174.82 3i6s s GLY 286 N -2.33 -0.53 0.07 0.71 0.00 -1.26 -4.60 107.32 99.37 3i6s s GLY 286 Ca -0.02 1.58 0.10 0.00 0.00 0.00 0.00 44.72 46.38 3i6s s GLY 286 CO -0.06 1.27 -0.26 -0.19 0.00 0.00 0.00 173.10 173.86 3i6s s TYR 287 N -0.46 2.26 0.36 1.90 1.51 -1.26 -5.06 117.35 116.60 3i6s s TYR 287 Ca -0.06 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.69 3i6s s TYR 287 Cb -0.02 -1.32 -0.07 0.00 -0.11 0.00 0.00 41.96 40.44 3i6s s TYR 287 CO 0.05 0.18 -0.07 1.03 -1.11 0.00 0.00 175.55 175.64 3i6s s ARG 288 N -1.46 1.86 -0.34 -0.62 0.52 -1.26 -4.59 118.95 113.07 3i6s s ARG 288 Ca 0.12 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 3i6s s ARG 288 Cb -0.10 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.66 3i6s s ARG 288 CO 0.03 0.10 0.00 1.19 0.02 0.00 0.00 175.30 176.65 3i6s n PHE 289 N -0.84 -0.01 -4.12 -0.53 0.99 -1.26 -5.03 117.46 106.66 3i6s n PHE 289 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.25 3i6s n PHE 289 Cb 0.64 -0.99 -0.14 0.00 -1.00 0.00 0.00 39.48 37.99 3i6s n PHE 289 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 3i6s s ILE 290 N -2.12 0.36 0.67 4.37 -0.00 -1.26 -5.00 121.20 118.22 3i6s s ILE 290 Ca 0.00 -0.19 -0.17 0.00 -0.00 0.00 0.00 60.65 60.29 3i6s s ILE 290 Cb 0.00 -0.31 0.01 0.00 -0.00 0.00 0.00 42.46 42.15 3i6s s ILE 290 CO 0.00 0.10 1.21 -2.16 -0.00 0.00 0.00 174.94 174.09 3i6s s PRO 291 N -0.08 2.52 0.33 0.37 0.04 -1.22 -4.71 135.00 132.24 3i6s s PRO 291 Ca 0.01 1.78 0.12 0.00 0.04 0.00 0.00 61.00 62.96 3i6s s PRO 291 Cb -0.02 -1.88 1.04 0.00 0.04 0.00 0.00 34.50 33.69 3i6s s PRO 291 CO -0.00 -1.55 1.63 -0.07 0.04 0.00 0.00 177.00 177.05 3i6s h LEU 292 N 0.21 0.26 0.00 -3.56 3.38 -1.90 0.41 115.31 114.12 3i6s h LEU 292 Ca -0.49 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i6s h LEU 292 Cb 1.30 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3i6s h LEU 292 CO 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3i6s n TYR 293 N -5.18 0.00 -0.18 1.13 4.11 -1.26 -1.34 117.16 114.43 3i6s n TYR 293 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.20 3i6s n TYR 293 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.32 3i6s n TYR 293 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3i6s n GLU 294 N -0.75 0.29 -3.04 -3.48 1.02 0.14 -4.85 120.64 109.97 3i6s n GLU 294 Ca 0.11 -0.72 -0.44 0.00 -0.02 0.00 0.00 57.16 56.09 3i6s n GLU 294 Cb 0.05 -0.91 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 3i6s n GLU 294 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i6s s ASP 295 N -0.28 6.19 0.14 1.62 -1.08 -0.45 -4.92 116.67 117.89 3i6s s ASP 295 Ca 0.00 -1.33 -0.26 0.00 -0.52 0.00 0.00 52.55 50.44 3i6s s ASP 295 Cb 0.00 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3i6s s ASP 295 CO 0.00 -1.21 1.60 0.00 0.52 0.00 0.00 175.17 176.09 3i6s h ALA 296 N 9.28 -0.39 -0.74 3.66 0.00 -1.93 0.03 119.26 129.18 3i6s h ALA 296 Ca -0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3i6s h ALA 296 Cb 1.08 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 3i6s h ALA 296 CO 1.12 -0.81 0.42 0.82 0.00 0.00 0.00 179.25 180.80 3i6s h ILE 297 N -0.40 1.22 -0.06 0.00 2.04 -1.94 -1.87 117.51 116.51 3i6s h ILE 297 Ca 0.10 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3i6s h ILE 297 Cb 0.56 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3i6s h ILE 297 CO -0.38 0.24 0.00 -1.28 0.00 0.00 0.00 178.15 176.73 3i6s h SER 298 N 1.03 0.10 -0.33 1.72 0.87 -1.71 0.40 113.55 115.62 3i6s h SER 298 Ca 0.26 -0.29 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3i6s h SER 298 Cb 0.00 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 61.87 3i6s h SER 298 CO -0.04 0.36 -0.14 0.40 -0.53 0.00 0.00 176.83 176.88 3i6s h ILE 299 N -0.17 0.55 -0.38 2.23 2.04 -0.68 0.64 117.51 121.74 3i6s h ILE 299 Ca 0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3i6s h ILE 299 Cb 0.31 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3i6s h ILE 299 CO 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.93 3i6s h ALA 300 N 1.19 0.89 -0.44 1.87 0.00 -1.32 -3.05 119.26 118.41 3i6s h ALA 300 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i6s h ALA 300 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i6s h ALA 300 CO -0.38 0.63 0.22 0.77 0.00 0.00 0.00 179.25 180.48 3i6s h SER 301 N 0.66 0.57 -0.72 0.00 0.02 -0.05 -0.84 113.55 113.18 3i6s h SER 301 Ca 0.09 -0.12 0.15 0.00 -0.84 0.00 0.00 61.79 61.07 3i6s h SER 301 Cb 0.73 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.02 3i6s h SER 301 CO 0.06 0.52 0.19 0.15 -1.14 0.00 0.00 176.83 176.62 3i6s h PHE 302 N 0.57 0.31 -0.43 3.45 3.57 -0.81 0.36 116.94 123.97 3i6s h PHE 302 Ca 0.15 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3i6s h PHE 302 Cb 0.10 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3i6s h PHE 302 CO -0.01 -0.05 0.26 0.78 -2.23 0.00 0.00 178.31 177.06 3i6s h GLY 303 N 0.30 0.62 1.00 2.40 0.00 -1.28 -0.27 103.07 105.83 3i6s h GLY 303 Ca 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3i6s h GLY 303 CO -0.47 0.25 0.17 0.00 0.00 0.00 0.00 176.54 176.49 3i6s h ALA 304 N 1.12 0.33 -0.41 3.60 0.00 0.35 -2.68 119.26 121.56 3i6s h ALA 304 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i6s h ALA 304 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3i6s h ALA 304 CO -0.03 -0.19 0.24 1.98 0.00 0.00 0.00 179.25 181.25 3i6s h MET 305 N 0.35 0.47 -0.29 0.00 -1.53 -0.19 -0.31 114.93 113.44 3i6s h MET 305 Ca 0.10 -0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.41 3i6s h MET 305 Cb -0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.90 3i6s h MET 305 CO -0.02 0.31 0.35 0.52 0.14 0.00 0.00 176.91 178.20 3i6s h MET 306 N 0.48 0.00 -0.27 0.39 2.86 -0.73 -0.14 114.93 117.52 3i6s h MET 306 Ca 0.17 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3i6s h MET 306 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3i6s h MET 306 CO -0.08 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.52 3i6s n LYS 307 N -3.65 2.80 -1.11 1.72 5.02 -0.62 -4.85 118.16 117.47 3i6s n LYS 307 Ca 0.04 -2.87 -0.02 0.00 -2.02 0.00 0.00 58.31 53.44 3i6s n LYS 307 Cb 0.49 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3i6s n LYS 307 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i6s n GLY 308 N -0.58 0.55 3.32 0.72 0.00 -0.07 -5.03 105.19 104.11 3i6s n GLY 308 Ca 0.23 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3i6s n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 309 N -2.09 3.54 0.28 1.61 1.01 -0.22 -4.48 120.40 120.04 3i6s s VAL 309 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 3i6s s VAL 309 Cb 0.00 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 3i6s s VAL 309 CO 0.00 0.34 0.95 -0.22 0.00 0.00 0.00 175.10 176.17 3i6s s LEU 310 N 1.49 4.51 -0.19 3.92 2.96 -1.26 -3.08 118.68 127.03 3i6s s LEU 310 Ca 0.05 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.86 3i6s s LEU 310 Cb -0.15 -3.79 -0.00 0.00 0.50 0.00 0.00 46.19 42.75 3i6s s LEU 310 CO -0.02 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.27 3i6s s VAL 311 N -1.36 3.07 -0.23 1.68 1.01 -1.26 -1.57 120.40 121.73 3i6s s VAL 311 Ca 0.45 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3i6s s VAL 311 Cb -0.23 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3i6s s VAL 311 CO 0.29 0.47 0.22 -0.44 0.00 0.00 0.00 175.10 175.64 3i6s s SER 312 N 1.17 6.20 0.05 3.32 0.01 0.27 -0.60 113.70 124.13 3i6s s SER 312 Ca 0.02 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.52 3i6s s SER 312 Cb -0.14 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 3i6s s SER 312 CO -0.03 0.03 -0.08 0.00 0.41 0.00 0.00 173.24 173.57 3i6s s ALA 313 N 1.09 0.70 0.42 1.44 0.00 -0.58 -1.26 121.76 123.58 3i6s s ALA 313 Ca 0.10 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 3i6s s ALA 313 Cb -0.14 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3i6s s ALA 313 CO 0.05 -0.02 1.04 -1.54 0.00 0.00 0.00 175.76 175.30 3i6s s SER 314 N -1.76 6.64 0.16 0.00 1.04 -1.19 -1.13 113.70 117.46 3i6s s SER 314 Ca -0.07 2.00 0.25 0.00 0.48 0.00 0.00 55.95 58.62 3i6s s SER 314 Cb -0.08 -2.58 0.92 0.00 0.10 0.00 0.00 66.02 64.38 3i6s s SER 314 CO 0.00 -0.57 1.77 0.00 0.98 0.00 0.00 173.24 175.42 3i6s n ALA 315 N -0.34 2.12 0.00 5.32 0.00 -0.01 -4.61 120.51 122.99 3i6s n ALA 315 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i6s n ALA 315 Cb 0.51 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3i6s n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6s n GLY 316 N 0.99 1.24 0.83 0.00 0.00 -1.26 -1.66 105.19 105.33 3i6s n GLY 316 Ca 0.05 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 44.16 3i6s n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6s n ASN 317 N -0.13 1.68 -1.81 1.61 3.02 -1.26 -1.10 115.26 117.26 3i6s n ASN 317 Ca 0.00 -3.54 0.07 0.00 -0.03 0.00 0.00 54.58 51.08 3i6s n ASN 317 Cb 0.00 -0.48 0.40 0.00 -0.61 0.00 0.00 39.78 39.08 3i6s n ASN 317 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i6s n ARG 318 N -0.80 4.72 -0.42 3.52 5.12 -1.12 -4.72 116.66 122.95 3i6s n ARG 318 Ca 0.17 -3.14 -0.29 0.00 -1.93 0.00 0.00 57.85 52.67 3i6s n ARG 318 Cb 0.78 -2.22 0.26 0.00 -1.16 0.00 0.00 32.46 30.12 3i6s n ARG 318 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i6s n GLY 319 N 0.57 -2.76 1.24 -0.13 0.00 0.65 -4.22 105.19 100.54 3i6s n GLY 319 Ca 0.27 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 45.13 3i6s n GLY 319 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i6s n PRO 320 N -4.66 2.66 -1.64 1.61 -0.04 -1.05 -4.58 135.00 127.30 3i6s n PRO 320 Ca 0.05 -2.51 -0.37 0.00 -0.04 0.00 0.00 63.50 60.63 3i6s n PRO 320 Cb 0.56 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 3i6s n PRO 320 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i6s n GLY 321 N 1.52 -0.14 3.76 0.55 0.00 -1.26 -4.76 105.19 104.86 3i6s n GLY 321 Ca 0.22 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3i6s n GLY 321 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i6s s ILE 322 N -1.50 2.32 -1.53 -0.61 2.07 -1.26 -3.23 121.20 117.46 3i6s s ILE 322 Ca 0.78 0.26 -0.14 0.00 -1.41 0.00 0.00 60.65 60.14 3i6s s ILE 322 Cb -0.40 -3.14 0.08 0.00 0.13 0.00 0.00 42.46 39.14 3i6s s ILE 322 CO 0.45 0.01 0.98 0.61 -1.91 0.00 0.00 174.94 175.08 3i6s n GLY 323 N 0.64 -0.49 0.37 1.50 0.00 -0.02 -4.87 105.19 102.31 3i6s n GLY 323 Ca 0.08 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.40 3i6s n GLY 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i6s n SER 324 N -2.84 1.72 -4.85 1.61 3.41 0.39 -4.67 113.62 108.39 3i6s n SER 324 Ca 0.04 -1.34 -0.30 0.00 -0.26 0.00 0.00 58.87 57.00 3i6s n SER 324 Cb 0.53 0.56 0.06 0.00 -0.26 0.00 0.00 64.21 65.10 3i6s n SER 324 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3i6s s LEU 325 N -2.60 2.80 0.46 1.04 0.05 -1.01 -4.65 118.68 114.77 3i6s s LEU 325 Ca 0.16 1.20 0.03 0.00 0.05 0.00 0.00 54.13 55.57 3i6s s LEU 325 Cb 0.18 -3.93 -0.02 0.00 -2.05 0.00 0.00 46.19 40.37 3i6s s LEU 325 CO 0.64 -1.57 0.08 0.54 -0.55 0.00 0.00 176.35 175.49 3i6s s ASN 326 N -4.19 3.38 -1.87 1.48 6.03 -0.66 -4.71 114.94 114.40 3i6s s ASN 326 Ca 0.59 -1.68 0.00 0.00 -1.03 0.00 0.00 52.86 50.74 3i6s s ASN 326 Cb -0.12 0.54 0.00 0.00 -3.03 0.00 0.00 41.25 38.63 3i6s s ASN 326 CO 0.53 -0.91 0.00 0.59 -2.03 0.00 0.00 177.10 175.27 3i6s n ASN 327 N -1.32 -5.17 -3.40 3.54 3.02 -1.26 -4.51 115.26 106.16 3i6s n ASN 327 Ca -0.12 0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 3i6s n ASN 327 Cb 0.66 -4.50 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 3i6s n ASN 327 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6s n GLY 328 N -0.58 4.51 3.54 7.41 0.00 -1.26 -4.65 105.19 114.16 3i6s n GLY 328 Ca -0.20 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3i6s n GLY 328 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i6s s SER 329 N 1.78 4.36 0.55 1.61 0.01 -1.26 -4.19 113.70 116.56 3i6s s SER 329 Ca 0.64 -0.17 0.27 0.00 1.31 0.00 0.00 55.95 58.00 3i6s s SER 329 Cb 0.18 -0.97 1.45 0.00 0.21 0.00 0.00 66.02 66.88 3i6s s SER 329 CO -0.07 0.31 1.97 -0.65 0.41 0.00 0.00 173.24 175.21 3i6s h PRO 330 N 4.89 0.00 -0.69 12.44 0.11 -1.93 -0.08 132.00 146.74 3i6s h PRO 330 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 3i6s h PRO 330 Cb 1.16 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3i6s h PRO 330 CO 0.52 0.00 0.18 -2.67 -0.21 0.00 0.00 178.00 175.81 3i6s n TRP 331 N -4.18 2.36 -4.47 0.65 2.14 -1.26 -4.90 117.44 107.78 3i6s n TRP 331 Ca 0.10 -1.03 -0.21 0.00 2.07 0.00 0.00 57.50 58.44 3i6s n TRP 331 Cb 0.66 -0.63 -0.14 0.00 -0.81 0.00 0.00 31.31 30.38 3i6s n TRP 331 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3i6s s ILE 332 N -2.91 1.13 -0.59 -1.67 1.01 -0.04 -4.64 121.20 113.48 3i6s s ILE 332 Ca 0.55 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3i6s s ILE 332 Cb 0.44 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.96 3i6s s ILE 332 CO 0.15 0.13 0.99 -0.22 0.00 0.00 0.00 174.94 175.99 3i6s s LEU 333 N -0.82 4.05 -0.37 2.97 2.96 0.24 -4.75 118.68 122.96 3i6s s LEU 333 Ca 0.03 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.28 3i6s s LEU 333 Cb -0.07 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.89 3i6s s LEU 333 CO 0.01 -1.34 0.50 0.00 -1.32 0.00 0.00 176.35 174.20 3i6s s VAL 335 N 2.37 4.72 0.34 0.00 1.01 -0.28 -0.52 120.40 128.04 3i6s s VAL 335 Ca 0.17 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3i6s s VAL 335 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3i6s s VAL 335 CO 0.14 0.47 0.44 0.00 0.00 0.00 0.00 175.10 176.15 3i6s s ALA 336 N 0.33 4.18 -0.17 5.51 0.00 -0.02 -0.83 121.76 130.77 3i6s s ALA 336 Ca 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.45 3i6s s ALA 336 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 3i6s s ALA 336 CO 0.00 -0.03 -0.03 0.45 0.00 0.00 0.00 175.76 176.15 3i6s s SER 337 N -4.15 4.71 0.24 0.00 0.15 -1.26 -1.74 113.70 111.65 3i6s s SER 337 Ca 0.45 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 57.00 3i6s s SER 337 Cb -0.09 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 3i6s s SER 337 CO 0.30 0.12 -0.01 -0.83 1.20 0.00 0.00 173.24 174.02 3i6s s GLY 338 N 0.63 1.67 0.57 9.45 0.00 0.55 -1.49 107.32 118.70 3i6s s GLY 338 Ca -0.02 -1.57 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 3i6s s GLY 338 CO 0.02 -1.62 1.03 0.30 0.00 0.00 0.00 173.10 172.84 3i6s s HIS 339 N -2.12 3.18 0.00 1.90 3.76 0.65 -1.61 115.29 121.05 3i6s s HIS 339 Ca 0.30 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 3i6s s HIS 339 Cb -0.07 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.70 3i6s s HIS 339 CO 0.19 -0.84 0.00 0.25 -0.85 0.00 0.00 174.74 173.49 3i6s n THR 340 N -1.95 0.00 -0.05 1.30 -2.24 -1.26 -3.53 114.28 106.54 3i6s n THR 340 Ca 0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 3i6s n THR 340 Cb 0.53 -1.03 0.28 0.00 -2.10 0.00 0.00 70.33 68.01 3i6s n THR 340 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i6s n ASP 341 N -1.72 3.63 -4.83 3.42 3.85 -1.26 -4.83 116.55 114.81 3i6s n ASP 341 Ca 0.00 -2.24 -0.38 0.00 -0.71 0.00 0.00 54.79 51.47 3i6s n ASP 341 Cb 0.00 -0.47 -0.06 0.00 -1.35 0.00 0.00 41.12 39.24 3i6s n ASP 341 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3i6s s ARG 342 N -1.60 4.03 0.05 0.11 3.52 -1.26 -1.69 118.95 122.11 3i6s s ARG 342 Ca 0.40 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 3i6s s ARG 342 Cb 0.24 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3i6s s ARG 342 CO 0.22 0.64 -0.03 -0.08 -0.81 0.00 0.00 175.30 175.23 3i6s s THR 343 N -1.16 0.27 -0.08 4.11 -1.32 0.52 -4.96 115.64 113.03 3i6s s THR 343 Ca 0.28 -1.74 0.04 0.00 -1.21 0.00 0.00 61.69 59.05 3i6s s THR 343 Cb -0.17 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 3i6s s THR 343 CO 0.17 -0.94 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.07 3i6s s PHE 344 N -3.66 2.20 -0.06 9.09 0.40 -1.26 -0.62 117.98 124.07 3i6s s PHE 344 Ca 0.06 -0.85 0.05 0.00 -0.60 0.00 0.00 56.93 55.59 3i6s s PHE 344 Cb 0.06 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 3i6s s PHE 344 CO -0.09 -0.35 -0.22 0.00 0.70 0.00 0.00 175.22 175.26 3i6s s ALA 345 N 0.36 2.27 -0.53 5.36 0.00 0.70 -2.07 121.76 127.84 3i6s s ALA 345 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 3i6s s ALA 345 Cb -0.17 -0.77 0.14 0.00 0.00 0.00 0.00 23.12 22.33 3i6s s ALA 345 CO 0.07 0.42 0.41 0.20 0.00 0.00 0.00 175.76 176.85 3i6s s GLY 346 N -0.18 2.17 0.14 0.00 0.00 -1.21 -3.24 107.32 105.00 3i6s s GLY 346 Ca -0.03 -2.72 -0.31 0.00 0.00 0.00 0.00 44.72 41.66 3i6s s GLY 346 CO 0.04 1.13 1.78 -1.59 0.00 0.00 0.00 173.10 174.46 3i6s s THR 347 N 1.04 2.47 -0.26 0.90 2.01 -1.10 -2.93 115.64 117.77 3i6s s THR 347 Ca 0.09 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 3i6s s THR 347 Cb -0.24 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3i6s s THR 347 CO -0.02 0.00 0.07 -0.22 -0.69 0.00 0.00 174.62 173.76 3i6s s LEU 348 N 2.34 3.52 -0.14 4.42 2.96 0.29 -2.34 118.68 129.73 3i6s s LEU 348 Ca 0.79 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3i6s s LEU 348 Cb -0.46 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 3i6s s LEU 348 CO 0.35 -0.07 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.26 3i6s s THR 349 N 1.59 2.63 0.53 3.68 2.01 0.32 0.46 115.64 126.86 3i6s s THR 349 Ca 0.06 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3i6s s THR 349 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.27 3i6s s THR 349 CO 0.03 0.52 0.78 -0.76 -0.69 0.00 0.00 174.62 174.51 3i6s s LEU 350 N 0.65 3.41 0.38 4.42 1.02 0.43 -0.04 118.68 128.95 3i6s s LEU 350 Ca -0.09 0.40 0.26 0.00 0.02 0.00 0.00 54.13 54.72 3i6s s LEU 350 Cb -0.16 -3.25 1.39 0.00 0.02 0.00 0.00 46.19 44.20 3i6s s LEU 350 CO 0.02 -0.94 1.79 1.23 0.02 0.00 0.00 176.35 178.48 3i6s h GLY 351 N 0.10 0.00 -2.56 -3.19 0.00 -0.82 -1.51 103.07 95.09 3i6s h GLY 351 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i6s h GLY 351 CO 0.58 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.28 3i6s n ASN 352 N -2.41 3.74 0.00 0.19 2.04 -1.26 -4.93 115.26 112.63 3i6s n ASN 352 Ca -0.02 -2.02 0.00 0.00 -0.44 0.00 0.00 54.58 52.10 3i6s n ASN 352 Cb 0.05 -0.47 0.00 0.00 -2.53 0.00 0.00 39.78 36.83 3i6s n ASN 352 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i6s n GLY 353 N 1.58 2.31 3.69 4.83 0.00 -0.57 -5.03 105.19 112.00 3i6s n GLY 353 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3i6s n GLY 353 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i6s n LEU 354 N 0.00 3.85 -4.10 0.99 7.94 -1.26 -4.74 117.00 119.68 3i6s n LEU 354 Ca 0.00 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.58 3i6s n LEU 354 Cb 0.00 -1.51 -0.16 0.00 0.53 0.00 0.00 43.42 42.27 3i6s n LEU 354 CO 0.00 0.09 -0.52 -0.75 -1.11 0.00 0.00 177.39 175.10 3i6s s LYS 355 N 2.45 2.83 -0.09 1.96 2.20 -1.26 -0.42 119.74 127.41 3i6s s LYS 355 Ca 0.82 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 3i6s s LYS 355 Cb -0.53 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.36 3i6s s LYS 355 CO 0.38 -0.19 -0.15 0.42 -0.36 0.00 0.00 175.35 175.45 3i6s s ILE 356 N 1.27 1.42 -1.08 5.43 1.01 0.17 -4.97 121.20 124.46 3i6s s ILE 356 Ca 0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3i6s s ILE 356 Cb -0.13 -1.28 0.12 0.00 0.01 0.00 0.00 42.46 41.17 3i6s s ILE 356 CO -0.11 0.42 1.36 -0.60 0.00 0.00 0.00 174.94 176.01 3i6s s ARG 357 N 0.77 3.80 0.03 2.79 3.52 -1.26 0.10 118.95 128.70 3i6s s ARG 357 Ca -0.12 -1.93 -0.00 0.00 -0.13 0.00 0.00 55.73 53.55 3i6s s ARG 357 Cb -0.16 -5.13 0.01 0.00 -1.56 0.00 0.00 34.95 28.11 3i6s s ARG 357 CO 0.02 -1.92 0.04 0.41 -0.81 0.00 0.00 175.30 173.04 3i6s n GLY 358 N 5.31 -0.44 3.62 8.12 0.00 -1.15 -4.97 105.19 115.67 3i6s n GLY 358 Ca 0.33 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3i6s n GLY 358 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i6s s TRP 359 N -0.64 3.06 -0.13 1.61 -0.11 -0.27 -3.35 118.94 119.11 3i6s s TRP 359 Ca 0.02 0.05 -0.29 0.00 1.22 0.00 0.00 56.10 57.11 3i6s s TRP 359 Cb -0.00 -1.79 0.07 0.00 -1.50 0.00 0.00 33.47 30.26 3i6s s TRP 359 CO 0.02 0.34 0.72 0.45 -4.62 0.00 0.00 176.95 173.85 3i6s s SER 360 N -0.65 -0.67 -0.04 5.86 0.15 -0.88 -0.90 113.70 116.58 3i6s s SER 360 Ca 0.10 0.93 0.11 0.00 0.70 0.00 0.00 55.95 57.79 3i6s s SER 360 Cb -0.12 0.82 0.19 0.00 -1.71 0.00 0.00 66.02 65.21 3i6s s SER 360 CO 0.02 -0.47 1.08 0.18 1.20 0.00 0.00 173.24 175.25 3i6s n LEU 361 N 1.48 0.82 -4.66 3.45 4.77 -1.26 -3.96 117.00 117.65 3i6s n LEU 361 Ca -0.17 -1.80 -0.49 0.00 -0.03 0.00 0.00 56.01 53.52 3i6s n LEU 361 Cb 0.56 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3i6s n LEU 361 CO 0.17 0.47 1.24 0.33 -1.33 0.00 0.00 177.39 178.27 3i6s n PHE 362 N -0.17 2.11 -0.21 -1.77 7.35 -1.26 -4.65 117.46 118.85 3i6s n PHE 362 Ca 0.05 0.30 -0.05 0.00 -0.76 0.00 0.00 57.45 56.99 3i6s n PHE 362 Cb 0.81 -2.53 0.02 0.00 0.35 0.00 0.00 39.48 38.13 3i6s n PHE 362 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3i6s n PRO 363 N 4.44 1.24 -3.56 -7.13 -0.04 -1.26 -4.60 135.00 124.10 3i6s n PRO 363 Ca 0.20 -0.50 -0.08 0.00 -0.04 0.00 0.00 63.50 63.08 3i6s n PRO 363 Cb 0.25 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3i6s n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i6s s ALA 364 N -0.58 -1.68 -1.38 0.55 0.00 -1.26 -4.90 121.76 112.52 3i6s s ALA 364 Ca 0.10 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 3i6s s ALA 364 Cb 0.08 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3i6s s ALA 364 CO 0.00 -0.81 2.36 -2.13 0.00 0.00 0.00 175.76 175.18 3i6s n ARG 365 N -0.34 2.84 -1.67 0.00 0.63 -1.26 -4.71 116.66 112.14 3i6s n ARG 365 Ca -0.10 -2.35 -0.38 0.00 -0.92 0.00 0.00 57.85 54.11 3i6s n ARG 365 Cb 0.62 -3.08 0.06 0.00 0.45 0.00 0.00 32.46 30.51 3i6s n ARG 365 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i6s n ALA 366 N 5.59 0.72 -3.79 5.13 0.00 -1.26 -4.97 120.51 121.93 3i6s n ALA 366 Ca 0.58 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.69 3i6s n ALA 366 Cb 0.34 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 3i6s n ALA 366 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3i6s s PHE 367 N -1.43 3.59 -0.27 0.00 5.36 -1.26 -4.66 117.98 119.32 3i6s s PHE 367 Ca 0.77 -2.45 0.00 0.00 -0.96 0.00 0.00 56.93 54.30 3i6s s PHE 367 Cb -0.41 -3.13 0.08 0.00 -0.34 0.00 0.00 43.02 39.22 3i6s s PHE 367 CO 0.45 -0.96 0.02 0.54 -1.46 0.00 0.00 175.22 173.81 3i6s s VAL 368 N 1.12 1.25 -0.03 3.12 0.11 -1.26 -5.09 120.40 119.63 3i6s s VAL 368 Ca 0.08 -1.32 0.01 0.00 -2.93 0.00 0.00 61.98 57.82 3i6s s VAL 368 Cb -0.22 -1.75 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 3i6s s VAL 368 CO -0.04 -0.37 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.71 3i6s s ARG 369 N 1.48 0.63 -1.55 1.54 3.52 -1.26 -1.46 118.95 121.85 3i6s s ARG 369 Ca 0.02 -0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.47 3i6s s ARG 369 Cb -0.18 -0.65 0.03 0.00 -1.56 0.00 0.00 34.95 32.59 3i6s s ARG 369 CO -0.13 -0.01 0.23 -0.25 -0.81 0.00 0.00 175.30 174.34 3i6s n ASP 370 N 3.64 0.04 -4.90 -2.12 8.00 -0.97 -4.93 116.55 115.31 3i6s n ASP 370 Ca -0.21 -1.18 -0.32 0.00 0.71 0.00 0.00 54.79 53.79 3i6s n ASP 370 Cb 0.53 -2.11 -0.05 0.00 -0.02 0.00 0.00 41.12 39.48 3i6s n ASP 370 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3i6s s SER 371 N -4.21 6.46 0.18 -2.24 0.01 -0.55 -4.75 113.70 108.60 3i6s s SER 371 Ca 0.13 0.50 -0.32 0.00 1.31 0.00 0.00 55.95 57.56 3i6s s SER 371 Cb -0.07 -2.06 -0.12 0.00 0.21 0.00 0.00 66.02 63.98 3i6s s SER 371 CO 0.96 0.15 1.71 -2.65 0.41 0.00 0.00 173.24 173.83 3i6s n PRO 372 N 0.49 2.63 -4.54 12.44 -0.02 -1.26 -0.44 135.00 144.30 3i6s n PRO 372 Ca -0.06 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.03 3i6s n PRO 372 Cb 0.52 -2.79 -0.11 0.00 -0.02 0.00 0.00 33.50 31.10 3i6s n PRO 372 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i6s s VAL 373 N 1.43 3.83 0.02 -1.45 1.01 -0.45 -0.42 120.40 124.37 3i6s s VAL 373 Ca 0.77 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3i6s s VAL 373 Cb -0.54 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3i6s s VAL 373 CO 0.35 0.58 -0.20 0.27 0.00 0.00 0.00 175.10 176.10 3i6s s ILE 374 N -0.57 1.57 -0.25 2.22 -4.36 0.45 -4.68 121.20 115.58 3i6s s ILE 374 Ca 0.09 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3i6s s ILE 374 Cb -0.12 -1.34 0.07 0.00 1.25 0.00 0.00 42.46 42.32 3i6s s ILE 374 CO 0.02 0.28 -0.01 -0.47 0.24 0.00 0.00 174.94 175.01 3i6s s TYR 375 N -0.66 2.18 -0.30 1.37 5.04 -1.26 -1.95 117.35 121.76 3i6s s TYR 375 Ca 0.07 -1.71 -0.00 0.00 -2.44 0.00 0.00 57.07 52.99 3i6s s TYR 375 Cb -0.08 -1.62 0.10 0.00 0.35 0.00 0.00 41.96 40.70 3i6s s TYR 375 CO 0.01 -0.78 0.08 1.21 -1.34 0.00 0.00 175.55 174.73 3i6s s ASN 376 N 1.46 4.05 0.53 4.32 3.84 -1.26 -5.01 114.94 122.88 3i6s s ASN 376 Ca -0.01 -1.63 0.44 0.00 0.21 0.00 0.00 52.86 51.86 3i6s s ASN 376 Cb -0.18 -0.96 1.64 0.00 -0.55 0.00 0.00 41.25 41.20 3i6s s ASN 376 CO -0.10 -0.40 1.63 0.11 -2.79 0.00 0.00 177.10 175.56 3i6s h LYS 377 N 8.03 0.02 0.00 0.43 1.79 -1.96 0.61 116.57 125.49 3i6s h LYS 377 Ca -0.13 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3i6s h LYS 377 Cb 1.02 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3i6s h LYS 377 CO 0.47 0.01 -0.12 1.15 -1.08 0.00 0.00 179.45 179.88 3i6s h THR 378 N 0.02 0.78 0.00 -0.16 2.02 -2.02 -3.21 112.91 110.33 3i6s h THR 378 Ca 0.84 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.54 3i6s h THR 378 Cb 3.24 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 70.93 3i6s h THR 378 CO -0.09 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.92 3i6s n LEU 379 N -3.94 0.01 0.26 2.58 -0.00 0.16 -4.76 117.00 111.31 3i6s n LEU 379 Ca -0.02 -0.33 0.06 0.00 -0.00 0.00 0.00 56.01 55.72 3i6s n LEU 379 Cb 0.21 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 43.95 3i6s n LEU 379 CO 0.32 0.00 0.94 -1.28 -0.00 0.00 0.00 177.39 177.38 3i6s h SER 380 N 0.00 0.00 0.08 1.45 0.87 -0.07 0.79 113.55 116.67 3i6s h SER 380 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3i6s h SER 380 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3i6s h SER 380 CO 0.00 0.00 -0.33 -0.78 -0.53 0.00 0.00 176.83 175.19 3i6s h ASP 381 N 0.00 0.37 -5.83 6.23 3.58 -1.85 0.48 116.42 119.40 3i6s h ASP 381 Ca 0.00 -0.14 -0.36 0.00 0.42 0.00 0.00 57.03 56.95 3i6s h ASP 381 Cb 1.22 -0.10 0.12 0.00 1.72 0.00 0.00 39.33 42.29 3i6s h ASP 381 CO 0.00 0.68 -0.81 0.00 -2.88 0.00 0.00 179.24 176.24 3i6s n SER 383 N -3.09 0.03 -4.40 0.00 3.41 -1.26 -4.21 113.62 104.09 3i6s n SER 383 Ca -0.27 -0.25 -0.36 0.00 -0.26 0.00 0.00 58.87 57.72 3i6s n SER 383 Cb 0.67 0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 65.00 3i6s n SER 383 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i6s s SER 384 N -0.52 4.91 0.12 4.04 0.15 -1.26 -4.97 113.70 116.17 3i6s s SER 384 Ca 0.00 -0.31 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 3i6s s SER 384 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 3i6s s SER 384 CO 0.00 -0.05 1.61 -0.33 1.20 0.00 0.00 173.24 175.67 3i6s h GLU 385 N 8.21 0.57 0.10 5.44 5.08 -1.95 -2.32 114.58 129.71 3i6s h GLU 385 Ca -0.39 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3i6s h GLU 385 Cb 1.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i6s h GLU 385 CO 0.59 0.63 -0.11 1.49 -1.00 0.00 0.00 179.01 180.60 3i6s h GLU 386 N 0.42 -0.24 0.17 2.33 4.81 -1.97 -0.40 114.58 119.70 3i6s h GLU 386 Ca 0.11 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3i6s h GLU 386 Cb 0.32 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 3i6s h GLU 386 CO 0.00 -0.16 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.70 3i6s h LEU 387 N -0.25 -1.04 -1.64 1.64 3.38 -1.97 -1.80 115.31 113.64 3i6s h LEU 387 Ca 0.01 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3i6s h LEU 387 Cb 0.24 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3i6s h LEU 387 CO -0.04 -0.46 0.44 -0.07 0.09 0.00 0.00 178.44 178.40 3i6s h LEU 388 N -0.62 0.36 0.00 1.67 -0.00 -1.28 0.36 115.31 115.80 3i6s h LEU 388 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3i6s h LEU 388 Cb 0.63 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 3i6s h LEU 388 CO -0.18 0.20 0.00 -1.54 -0.00 0.00 0.00 178.44 176.92 3i6s n SER 389 N -4.47 0.00 -0.23 -0.43 3.41 -0.17 -2.15 113.62 109.58 3i6s n SER 389 Ca 0.11 -0.34 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 3i6s n SER 389 Cb 0.44 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3i6s n SER 389 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s n GLN 390 N -1.07 0.58 -2.71 4.33 6.02 0.13 -4.85 117.38 119.80 3i6s n GLN 390 Ca 0.10 -0.46 -0.43 0.00 -0.01 0.00 0.00 57.00 56.20 3i6s n GLN 390 Cb 0.07 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3i6s n GLN 390 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i6s s VAL 391 N -2.74 4.64 0.71 5.09 0.11 -0.91 -5.02 120.40 122.28 3i6s s VAL 391 Ca 0.14 1.77 -0.14 0.00 -2.93 0.00 0.00 61.98 60.81 3i6s s VAL 391 Cb 0.17 -4.31 0.03 0.00 -1.53 0.00 0.00 36.38 30.74 3i6s s VAL 391 CO 0.71 -0.30 1.13 -1.61 -3.33 0.00 0.00 175.10 171.70 3i6s s GLU 392 N 3.32 2.43 -1.45 1.54 2.02 -1.26 -3.51 118.70 121.78 3i6s s GLU 392 Ca 0.42 1.45 -0.02 0.00 0.02 0.00 0.00 54.97 56.84 3i6s s GLU 392 Cb -0.14 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.21 3i6s s GLU 392 CO 0.11 -1.55 0.40 0.09 0.02 0.00 0.00 175.26 174.33 3i6s n ASN 393 N -2.80 -0.45 0.09 -0.19 3.02 -1.26 -4.80 115.26 108.88 3i6s n ASN 393 Ca 0.11 -1.04 0.17 0.00 -0.03 0.00 0.00 54.58 53.79 3i6s n ASN 393 Cb 0.52 -2.85 0.71 0.00 -0.61 0.00 0.00 39.78 37.54 3i6s n ASN 393 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i6s h PRO 394 N -1.80 0.00 0.00 3.52 0.13 -1.89 -1.68 132.00 130.29 3i6s h PRO 394 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3i6s h PRO 394 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3i6s h PRO 394 CO 0.65 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 3i6s n GLU 395 N -4.28 0.20 -0.03 0.86 1.02 -1.25 -1.60 120.64 115.56 3i6s n GLU 395 Ca 0.06 0.25 0.01 0.00 -0.02 0.00 0.00 57.16 57.45 3i6s n GLU 395 Cb 0.45 -1.77 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3i6s n GLU 395 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i6s n ASN 396 N -2.13 2.04 -4.38 1.62 4.05 -0.65 -3.97 115.26 111.85 3i6s n ASN 396 Ca 0.05 -1.90 -0.30 0.00 0.45 0.00 0.00 54.58 52.88 3i6s n ASN 396 Cb 0.35 -0.03 -0.14 0.00 1.23 0.00 0.00 39.78 41.19 3i6s n ASN 396 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3i6s s THR 397 N -0.91 2.32 -0.19 -0.44 -1.32 -1.11 -4.04 115.64 109.96 3i6s s THR 397 Ca 0.04 -1.46 -0.07 0.00 -1.21 0.00 0.00 61.69 58.99 3i6s s THR 397 Cb 0.02 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 3i6s s THR 397 CO 0.03 0.27 0.04 -0.63 -2.21 0.00 0.00 174.62 172.12 3i6s s ILE 398 N -0.91 4.49 -0.06 5.08 1.01 0.44 -2.60 121.20 128.64 3i6s s ILE 398 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 3i6s s ILE 398 Cb -0.10 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3i6s s ILE 398 CO 0.04 0.44 -0.02 0.54 0.00 0.00 0.00 174.94 175.93 3i6s s VAL 399 N 0.68 4.07 -0.06 2.92 0.11 -1.11 -0.41 120.40 126.60 3i6s s VAL 399 Ca 0.02 -0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 58.50 3i6s s VAL 399 Cb -0.13 -2.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 3i6s s VAL 399 CO 0.02 0.55 0.42 -0.63 -3.33 0.00 0.00 175.10 172.12 3i6s s ILE 400 N -0.91 5.11 -0.19 7.04 1.01 -0.82 -1.35 121.20 131.09 3i6s s ILE 400 Ca 0.14 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 3i6s s ILE 400 Cb -0.11 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3i6s s ILE 400 CO 0.04 0.47 -0.06 0.00 0.00 0.00 0.00 174.94 175.39 3i6s s ASP 402 N 1.06 4.52 -0.29 0.00 1.01 0.17 -1.61 116.67 121.55 3i6s s ASP 402 Ca 0.01 2.07 -0.29 0.00 0.71 0.00 0.00 52.55 55.04 3i6s s ASP 402 Cb -0.15 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 3i6s s ASP 402 CO -0.00 -2.03 1.46 -0.62 0.21 0.00 0.00 175.17 174.19 3i6s s ASP 403 N -2.63 6.47 -0.08 0.27 -1.08 -1.18 -4.67 116.67 113.77 3i6s s ASP 403 Ca 0.67 1.32 0.12 0.00 -0.52 0.00 0.00 52.55 54.14 3i6s s ASP 403 Cb -0.22 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.88 3i6s s ASP 403 CO 0.47 -1.23 1.08 -0.46 0.52 0.00 0.00 175.17 175.55 3i6s n ASN 404 N 8.23 1.52 0.00 -0.34 0.23 -1.26 -4.99 115.26 118.65 3i6s n ASN 404 Ca 0.17 -2.64 0.00 0.00 -0.53 0.00 0.00 54.58 51.58 3i6s n ASN 404 Cb 0.46 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3i6s n ASN 404 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i6s n GLY 405 N -0.90 0.75 2.23 4.83 0.00 -1.26 -4.88 105.19 105.96 3i6s n GLY 405 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3i6s n GLY 405 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i6s n ASP 406 N 0.00 0.78 -0.02 1.61 2.03 -1.26 -4.98 116.55 114.72 3i6s n ASP 406 Ca 0.00 -2.82 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 3i6s n ASP 406 Cb 0.00 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.73 3i6s n ASP 406 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3i6s h PHE 407 N 4.01 -0.25 -0.05 -0.67 3.57 -1.97 -2.48 116.94 119.11 3i6s h PHE 407 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3i6s h PHE 407 Cb 0.84 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3i6s h PHE 407 CO 0.43 -0.16 0.06 0.66 -2.23 0.00 0.00 178.31 177.07 3i6s h SER 408 N -0.11 0.00 0.21 0.41 4.64 -1.99 0.23 113.55 116.94 3i6s h SER 408 Ca 0.09 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.13 3i6s h SER 408 Cb 0.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3i6s h SER 408 CO -0.22 0.00 -1.21 -0.78 -0.87 0.00 0.00 176.83 173.75 3i6s h ASP 409 N 0.00 0.79 -0.26 4.97 3.58 -1.85 -2.59 116.42 121.07 3i6s h ASP 409 Ca 0.02 -0.73 0.02 0.00 0.42 0.00 0.00 57.03 56.76 3i6s h ASP 409 Cb 0.13 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3i6s h ASP 409 CO -0.00 1.54 0.13 1.56 -2.88 0.00 0.00 179.24 179.59 3i6s h GLN 410 N 0.25 0.27 -0.65 0.28 4.20 -0.37 -0.80 115.11 118.29 3i6s h GLN 410 Ca -0.17 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.56 3i6s h GLN 410 Cb 1.88 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.56 3i6s h GLN 410 CO 0.23 0.18 0.43 1.98 -0.67 0.00 0.00 178.83 180.97 3i6s h MET 411 N 0.27 0.75 -0.15 1.46 4.05 -0.79 0.13 114.93 120.66 3i6s h MET 411 Ca 0.11 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 3i6s h MET 411 Cb 0.03 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 3i6s h MET 411 CO -0.07 0.50 -0.14 -0.09 0.23 0.00 0.00 176.91 177.34 3i6s h ARG 412 N 0.77 0.35 -0.79 0.39 2.43 -1.00 0.56 114.38 117.10 3i6s h ARG 412 Ca 0.26 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3i6s h ARG 412 Cb 0.08 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 3i6s h ARG 412 CO -0.07 0.73 0.34 0.82 -1.51 0.00 0.00 179.97 180.28 3i6s h ILE 413 N -0.02 1.25 -0.15 1.20 1.08 -0.68 -0.38 117.51 119.81 3i6s h ILE 413 Ca 0.02 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 3i6s h ILE 413 Cb 0.66 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3i6s h ILE 413 CO 0.03 0.32 -0.00 0.40 -0.69 0.00 0.00 178.15 178.21 3i6s h ILE 414 N 1.14 1.26 -0.63 -0.67 5.03 -0.67 -2.03 117.51 120.94 3i6s h ILE 414 Ca 0.27 -0.86 0.02 0.00 -0.12 0.00 0.00 64.86 64.17 3i6s h ILE 414 Cb 0.17 1.53 -0.04 0.00 -3.03 0.00 0.00 36.82 35.46 3i6s h ILE 414 CO -0.03 0.25 0.40 0.74 -0.68 0.00 0.00 178.15 178.84 3i6s h THR 415 N 0.00 1.12 -0.23 -0.27 2.02 -0.69 -1.62 112.91 113.24 3i6s h THR 415 Ca 0.04 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3i6s h THR 415 Cb 0.39 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3i6s h THR 415 CO 0.01 0.15 -0.09 -0.09 0.37 0.00 0.00 175.52 175.86 3i6s h ARG 416 N 0.81 0.37 -0.00 6.66 2.43 -1.01 -2.64 114.38 121.00 3i6s h ARG 416 Ca 0.24 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3i6s h ARG 416 Cb -0.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3i6s h ARG 416 CO -0.07 0.47 -0.17 0.00 -1.51 0.00 0.00 179.97 178.69 3i6s n ALA 417 N -2.48 2.76 -3.37 2.80 0.00 -0.76 -4.95 120.51 114.50 3i6s n ALA 417 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 3i6s n ALA 417 Cb 0.27 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.44 3i6s n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i6s n ARG 418 N -1.44 -6.38 -2.11 0.00 1.74 -0.69 -4.89 116.66 102.90 3i6s n ARG 418 Ca 0.08 0.67 -0.34 0.00 -0.77 0.00 0.00 57.85 57.48 3i6s n ARG 418 Cb 0.33 -5.22 0.01 0.00 -1.02 0.00 0.00 32.46 26.56 3i6s n ARG 418 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i6s s LEU 419 N -6.05 3.62 0.18 0.55 1.43 -1.23 -3.91 118.68 113.27 3i6s s LEU 419 Ca 0.45 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.46 3i6s s LEU 419 Cb -0.20 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.59 3i6s s LEU 419 CO 0.59 -1.31 1.65 0.50 0.23 0.00 0.00 176.35 178.01 3i6s h LYS 420 N 0.80 -0.02 -2.54 1.70 1.63 -1.04 -3.47 116.57 113.63 3i6s h LYS 420 Ca -0.49 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.46 3i6s h LYS 420 Cb 1.25 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.85 3i6s h LYS 420 CO 0.56 -0.02 0.53 0.00 -3.45 0.00 0.00 179.45 177.07 3i6s s ALA 421 N -6.21 -1.51 -0.01 5.00 0.00 -1.24 -4.51 121.76 113.28 3i6s s ALA 421 Ca -0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3i6s s ALA 421 Cb 0.16 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 3i6s s ALA 421 CO 0.71 -1.05 0.07 0.00 0.00 0.00 0.00 175.76 175.50 3i6s s ALA 422 N -2.45 -0.17 -0.33 0.00 0.00 -1.16 -2.74 121.76 114.93 3i6s s ALA 422 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 3i6s s ALA 422 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3i6s s ALA 422 CO 0.05 -0.11 0.17 0.42 0.00 0.00 0.00 175.76 176.29 3i6s s ILE 423 N -0.69 4.62 -0.18 0.00 1.01 -0.46 -1.69 121.20 123.82 3i6s s ILE 423 Ca -0.08 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3i6s s ILE 423 Cb -0.05 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3i6s s ILE 423 CO 0.00 -0.00 0.20 -0.36 0.00 0.00 0.00 174.94 174.78 3i6s s PHE 424 N 1.60 3.45 -0.33 3.97 0.08 0.16 -0.34 117.98 126.57 3i6s s PHE 424 Ca 0.04 0.45 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 3i6s s PHE 424 Cb -0.17 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 3i6s s PHE 424 CO 0.06 0.30 0.42 0.42 -0.10 0.00 0.00 175.22 176.33 3i6s s ILE 425 N 0.29 5.11 -0.26 0.64 1.01 -0.63 0.42 121.20 127.78 3i6s s ILE 425 Ca 0.12 0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.80 3i6s s ILE 425 Cb -0.12 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.64 3i6s s ILE 425 CO 0.01 -0.07 1.07 -0.55 0.00 0.00 0.00 174.94 175.40 3i6s s SER 426 N 1.71 -0.39 0.00 3.58 0.15 0.05 -3.10 113.70 115.70 3i6s s SER 426 Ca 0.15 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3i6s s SER 426 Cb -0.16 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3i6s s SER 426 CO 0.12 -0.17 0.74 -0.62 1.20 0.00 0.00 173.24 174.51 3i6s n GLU 427 N 1.86 1.51 -1.67 5.44 1.02 -1.26 -4.21 120.64 123.34 3i6s n GLU 427 Ca -0.12 -1.01 -0.42 0.00 -0.02 0.00 0.00 57.16 55.60 3i6s n GLU 427 Cb 0.56 -0.81 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 3i6s n GLU 427 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i6s s ASP 428 N -0.53 6.29 0.59 1.62 2.15 -1.26 -4.86 116.67 120.67 3i6s s ASP 428 Ca 0.00 2.55 0.29 0.00 0.43 0.00 0.00 52.55 55.81 3i6s s ASP 428 Cb 0.00 -2.53 1.59 0.00 -0.30 0.00 0.00 42.92 41.69 3i6s s ASP 428 CO 0.00 -1.20 2.02 1.55 -0.17 0.00 0.00 175.17 177.37 3i6s h PRO 429 N 11.29 0.00 -0.78 4.34 0.13 -1.96 -0.87 132.00 144.15 3i6s h PRO 429 Ca -0.48 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.76 3i6s h PRO 429 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 3i6s h PRO 429 CO 0.94 0.00 0.51 0.78 -0.23 0.00 0.00 178.00 180.00 3i6s h GLY 430 N 0.00 0.96 1.50 1.56 0.00 -2.01 -2.01 103.07 103.07 3i6s h GLY 430 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3i6s h GLY 430 CO -0.00 0.14 0.18 -2.08 0.00 0.00 0.00 176.54 174.78 3i6s h VAL 431 N 0.64 1.17 -0.45 4.60 2.07 -1.54 -3.05 116.25 119.69 3i6s h VAL 431 Ca 0.37 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3i6s h VAL 431 Cb 0.55 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3i6s h VAL 431 CO -0.14 0.20 0.00 0.49 0.02 0.00 0.00 177.57 178.15 3i6s n PHE 432 N -4.37 0.89 0.19 1.57 3.72 -0.76 -3.38 117.46 115.33 3i6s n PHE 432 Ca 0.03 -0.38 0.02 0.00 -0.05 0.00 0.00 57.45 57.08 3i6s n PHE 432 Cb 0.15 -0.13 -0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3i6s n PHE 432 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i6s n ARG 433 N 0.75 2.98 -4.28 -1.08 1.74 -1.15 -4.84 116.66 110.77 3i6s n ARG 433 Ca 0.17 -0.35 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 3i6s n ARG 433 Cb 0.57 -0.87 -0.09 0.00 -1.02 0.00 0.00 32.46 31.05 3i6s n ARG 433 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i6s s SER 434 N -0.94 5.05 0.00 0.55 0.15 -1.22 -4.54 113.70 112.75 3i6s s SER 434 Ca 0.03 -0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.82 3i6s s SER 434 Cb 0.03 -1.29 0.46 0.00 -1.71 0.00 0.00 66.02 63.52 3i6s s SER 434 CO 0.12 0.27 1.38 0.00 1.20 0.00 0.00 173.24 176.21 3i6s n ALA 435 N 1.30 2.34 -2.59 5.45 0.00 -1.26 -4.91 120.51 120.84 3i6s n ALA 435 Ca -0.14 -1.14 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 3i6s n ALA 435 Cb 0.53 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 3i6s n ALA 435 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6s s THR 436 N -1.12 3.87 -0.41 0.00 2.01 -1.26 -4.86 115.64 113.87 3i6s s THR 436 Ca 0.37 0.42 0.09 0.00 0.31 0.00 0.00 61.69 62.88 3i6s s THR 436 Cb 0.20 -4.84 0.29 0.00 0.01 0.00 0.00 72.50 68.16 3i6s s THR 436 CO 0.27 -1.69 0.73 0.33 -0.69 0.00 0.00 174.62 173.57 3i6s n PHE 437 N 8.95 -0.98 0.73 4.92 -0.00 -1.26 -5.00 117.46 124.82 3i6s n PHE 437 Ca 0.03 -3.18 0.08 0.00 -0.00 0.00 0.00 57.45 54.38 3i6s n PHE 437 Cb 0.49 0.19 0.40 0.00 -0.00 0.00 0.00 39.48 40.55 3i6s n PHE 437 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3i6s n PRO 438 N 0.92 0.18 -4.01 -7.13 -0.04 -1.24 -4.03 135.00 119.63 3i6s n PRO 438 Ca 0.19 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.66 3i6s n PRO 438 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3i6s n PRO 438 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3i6s s ASN 439 N -2.67 0.31 0.41 3.54 2.47 -1.26 -0.45 114.94 117.28 3i6s s ASN 439 Ca 0.14 -0.05 -0.25 0.00 0.42 0.00 0.00 52.86 53.12 3i6s s ASN 439 Cb 0.11 -0.04 -0.11 0.00 -1.45 0.00 0.00 41.25 39.76 3i6s s ASN 439 CO 0.26 0.03 1.02 -2.65 -3.72 0.00 0.00 177.10 172.05 3i6s n PRO 440 N 3.04 1.39 0.00 0.43 -0.02 -1.26 -4.84 135.00 133.74 3i6s n PRO 440 Ca -0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3i6s n PRO 440 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3i6s n PRO 440 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6s n GLY 441 N 1.16 1.33 3.14 -1.23 0.00 -1.26 -2.96 105.19 105.37 3i6s n GLY 441 Ca 0.09 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3i6s n GLY 441 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 442 N -2.00 0.86 -0.13 1.61 1.01 -0.68 -4.69 120.40 116.38 3i6s s VAL 442 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 3i6s s VAL 442 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3i6s s VAL 442 CO 0.00 -0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 173.89 3i6s s VAL 443 N -1.78 3.21 0.16 2.92 1.01 -0.08 0.37 120.40 126.21 3i6s s VAL 443 Ca -0.02 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3i6s s VAL 443 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3i6s s VAL 443 CO 0.01 0.52 -0.19 0.68 0.00 0.00 0.00 175.10 176.12 3i6s s VAL 444 N 0.34 1.85 1.07 2.92 -7.23 0.17 -1.12 120.40 118.40 3i6s s VAL 444 Ca -0.10 -1.91 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 3i6s s VAL 444 Cb -0.16 -1.85 0.26 0.00 0.56 0.00 0.00 36.38 35.19 3i6s s VAL 444 CO 0.05 -0.29 1.12 -0.46 -0.31 0.00 0.00 175.10 175.21 3i6s n ASN 445 N 0.32 -1.18 -0.14 4.85 0.23 -1.26 -0.77 115.26 117.30 3i6s n ASN 445 Ca -0.13 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.58 52.55 3i6s n ASN 445 Cb 0.57 -0.96 -0.01 0.00 -2.08 0.00 0.00 39.78 37.30 3i6s n ASN 445 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3i6s h LYS 446 N 0.00 0.69 0.93 -3.83 1.79 -1.95 -0.38 116.57 113.82 3i6s h LYS 446 Ca -0.40 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 57.83 3i6s h LYS 446 Cb 1.16 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.75 3i6s h LYS 446 CO 0.27 0.75 -0.45 -0.22 -1.08 0.00 0.00 179.45 178.73 3i6s h LYS 447 N 0.53 -1.20 -0.97 3.15 3.64 -2.00 -2.29 116.57 117.43 3i6s h LYS 447 Ca 0.12 0.08 0.24 0.00 -1.27 0.00 0.00 60.65 59.82 3i6s h LYS 447 Cb 0.42 0.27 -0.13 0.00 -0.41 0.00 0.00 32.23 32.38 3i6s h LYS 447 CO 0.01 -0.80 0.53 0.93 -2.27 0.00 0.00 179.45 177.86 3i6s h GLU 448 N -1.32 0.50 -0.00 1.90 5.08 -1.94 0.53 114.58 119.34 3i6s h GLU 448 Ca -0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3i6s h GLU 448 Cb 0.96 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3i6s h GLU 448 CO 0.21 0.33 0.00 0.78 -1.00 0.00 0.00 179.01 179.34 3i6s h GLY 449 N 0.52 0.00 0.51 -3.84 0.00 -0.74 -1.33 103.07 98.19 3i6s h GLY 449 Ca 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.87 3i6s h GLY 449 CO -0.50 0.00 -0.32 0.50 0.00 0.00 0.00 176.54 176.22 3i6s h LYS 450 N 0.00 0.22 -0.48 4.80 1.57 0.62 -2.68 116.57 120.62 3i6s h LYS 450 Ca 0.00 -0.23 0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3i6s h LYS 450 Cb 0.01 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 3i6s h LYS 450 CO -0.00 0.96 -0.17 1.96 -0.57 0.00 0.00 179.45 181.63 3i6s h GLN 451 N -0.43 -0.06 0.49 3.15 4.20 -0.90 0.41 115.11 121.97 3i6s h GLN 451 Ca -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3i6s h GLN 451 Cb 1.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 3i6s h GLN 451 CO 0.06 -0.04 -0.28 0.28 -0.67 0.00 0.00 178.83 178.18 3i6s h VAL 452 N -0.06 0.42 -0.98 -0.54 2.07 -1.32 -0.97 116.25 114.87 3i6s h VAL 452 Ca 0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.86 3i6s h VAL 452 Cb 0.41 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3i6s h VAL 452 CO -0.52 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.09 3i6s h ILE 453 N -0.72 0.95 0.53 4.57 2.04 -1.24 -1.60 117.51 122.05 3i6s h ILE 453 Ca -0.06 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3i6s h ILE 453 Cb 0.58 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3i6s h ILE 453 CO 0.07 0.18 -0.37 -1.13 0.00 0.00 0.00 178.15 176.90 3i6s h ASN 454 N 0.99 -0.97 -0.98 1.72 -1.24 -0.50 -0.81 115.58 113.80 3i6s h ASN 454 Ca 0.47 0.06 0.31 0.00 0.71 0.00 0.00 56.30 57.85 3i6s h ASN 454 Cb 0.43 0.29 -0.17 0.00 0.73 0.00 0.00 38.32 39.60 3i6s h ASN 454 CO -0.23 -0.55 0.24 0.22 -1.29 0.00 0.00 177.43 175.83 3i6s h TYR 455 N -0.86 0.33 -0.17 0.67 3.20 -0.67 -0.27 116.97 119.20 3i6s h TYR 455 Ca -0.07 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3i6s h TYR 455 Cb 0.70 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 3i6s h TYR 455 CO -0.10 -0.40 -0.09 0.28 -1.64 0.00 0.00 178.16 176.21 3i6s h VAL 456 N 0.05 1.31 -0.19 1.81 2.07 -0.76 -3.15 116.25 117.41 3i6s h VAL 456 Ca 0.68 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 3i6s h VAL 456 Cb 1.55 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 3i6s h VAL 456 CO -0.82 0.34 -0.22 0.11 0.02 0.00 0.00 177.57 177.01 3i6s h LYS 457 N 0.04 0.33 -0.90 1.57 1.57 0.36 -2.83 116.57 116.70 3i6s h LYS 457 Ca 0.04 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 3i6s h LYS 457 Cb 0.58 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 3i6s h LYS 457 CO 0.03 0.53 0.20 0.09 -0.57 0.00 0.00 179.45 179.73 3i6s n ASN 458 N -4.17 3.47 -3.74 0.86 3.02 -0.50 -4.87 115.26 109.33 3i6s n ASN 458 Ca -0.01 -2.71 -0.13 0.00 -0.03 0.00 0.00 54.58 51.71 3i6s n ASN 458 Cb 0.35 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 3i6s n ASN 458 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i6s s SER 459 N -0.31 -0.38 -0.19 6.41 0.01 -1.07 -5.02 113.70 113.15 3i6s s SER 459 Ca 0.30 0.68 -0.11 0.00 1.31 0.00 0.00 55.95 58.13 3i6s s SER 459 Cb 0.24 0.72 -0.05 0.00 0.21 0.00 0.00 66.02 67.15 3i6s s SER 459 CO 0.07 -0.19 0.18 0.68 0.41 0.00 0.00 173.24 174.39 3i6s s VAL 460 N -0.06 5.37 -0.05 3.43 -7.23 -1.26 -4.42 120.40 116.18 3i6s s VAL 460 Ca -0.02 0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.44 3i6s s VAL 460 Cb -0.03 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.39 3i6s s VAL 460 CO 0.01 0.41 0.04 0.41 -0.31 0.00 0.00 175.10 175.67 3i6s n THR 461 N 3.65 -0.14 -2.26 5.32 -1.04 -1.26 -5.02 114.28 113.53 3i6s n THR 461 Ca -0.15 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.45 3i6s n THR 461 Cb 0.52 -1.77 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 3i6s n THR 461 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3i6s s PRO 462 N -4.88 4.43 0.17 -2.82 0.04 -1.26 -4.99 135.00 125.69 3i6s s PRO 462 Ca 0.02 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.09 3i6s s PRO 462 Cb -0.01 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 3i6s s PRO 462 CO 0.03 -0.16 -0.02 0.95 0.04 0.00 0.00 177.00 177.84 3i6s s THR 463 N -0.24 0.78 0.04 1.26 -4.23 -1.26 -1.34 115.64 110.65 3i6s s THR 463 Ca 0.53 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 3i6s s THR 463 Cb -0.36 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3i6s s THR 463 CO 0.40 -0.53 0.12 0.00 -0.54 0.00 0.00 174.62 174.07 3i6s s ALA 464 N -3.59 -0.12 -0.04 3.99 0.00 0.42 -0.08 121.76 122.34 3i6s s ALA 464 Ca 0.22 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3i6s s ALA 464 Cb 0.05 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3i6s s ALA 464 CO 0.03 -0.33 -0.11 0.99 0.00 0.00 0.00 175.76 176.34 3i6s s THR 465 N -2.62 1.00 -0.06 0.00 2.01 0.94 -1.48 115.64 115.43 3i6s s THR 465 Ca -0.05 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3i6s s THR 465 Cb -0.01 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.61 3i6s s THR 465 CO -0.05 0.31 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.42 3i6s s ILE 466 N 0.38 1.26 0.22 1.82 1.01 -0.53 -0.52 121.20 124.84 3i6s s ILE 466 Ca -0.08 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.08 3i6s s ILE 466 Cb -0.12 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3i6s s ILE 466 CO 0.02 0.38 -0.06 0.42 0.00 0.00 0.00 174.94 175.70 3i6s s THR 467 N 0.39 3.28 0.45 2.92 -4.23 -0.99 -4.04 115.64 113.42 3i6s s THR 467 Ca -0.10 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 3i6s s THR 467 Cb -0.14 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 3i6s s THR 467 CO 0.03 -0.24 0.11 -0.36 -0.54 0.00 0.00 174.62 173.62 3i6s s PHE 468 N -2.03 1.79 -1.57 3.99 0.40 -1.26 -2.71 117.98 116.59 3i6s s PHE 468 Ca 0.28 -1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 55.34 3i6s s PHE 468 Cb -0.08 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.21 3i6s s PHE 468 CO 0.17 -0.21 0.29 1.04 0.70 0.00 0.00 175.22 177.21 3i6s n GLN 469 N -1.03 -3.10 -3.98 0.44 6.02 -1.25 -4.96 117.38 109.52 3i6s n GLN 469 Ca -0.10 0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 57.43 3i6s n GLN 469 Cb 0.65 -5.57 -0.07 0.00 1.02 0.00 0.00 30.24 26.27 3i6s n GLN 469 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3i6s s GLU 470 N -5.30 3.38 -0.05 -1.09 2.02 -1.20 -4.71 118.70 111.76 3i6s s GLU 470 Ca 0.14 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 3i6s s GLU 470 Cb -0.06 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.08 3i6s s GLU 470 CO 0.18 0.74 -0.00 -0.08 0.02 0.00 0.00 175.26 176.11 3i6s s THR 471 N -0.92 0.28 0.07 3.63 -1.32 -1.26 -0.22 115.64 115.90 3i6s s THR 471 Ca 0.14 0.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.80 3i6s s THR 471 Cb -0.12 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 3i6s s THR 471 CO 0.03 0.21 -0.19 -0.31 -2.21 0.00 0.00 174.62 172.15 3i6s s TYR 472 N 1.49 2.53 -0.40 9.09 1.51 0.21 -4.96 117.35 126.83 3i6s s TYR 472 Ca -0.03 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3i6s s TYR 472 Cb -0.13 -1.41 0.44 0.00 -0.11 0.00 0.00 41.96 40.75 3i6s s TYR 472 CO -0.03 0.29 1.29 1.28 -1.11 0.00 0.00 175.55 177.27 3i6s n LEU 473 N 1.29 5.25 -0.06 -1.29 4.77 -1.26 -0.35 117.00 125.35 3i6s n LEU 473 Ca -0.16 -4.85 0.01 0.00 -0.03 0.00 0.00 56.01 50.98 3i6s n LEU 473 Cb 0.52 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3i6s n LEU 473 CO 0.27 2.07 0.16 -0.90 -1.33 0.00 0.00 177.39 177.67 3i6s n ASP 474 N -0.65 0.75 -4.69 -1.43 5.68 -1.14 -4.87 116.55 110.20 3i6s n ASP 474 Ca 0.45 -0.87 -0.44 0.00 -0.50 0.00 0.00 54.79 53.42 3i6s n ASP 474 Cb 0.81 0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 41.19 3i6s n ASP 474 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3i6s n THR 475 N -0.36 0.98 -4.35 2.12 -1.04 -0.68 -5.01 114.28 105.93 3i6s n THR 475 Ca 0.01 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.05 61.57 3i6s n THR 475 Cb 0.05 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 66.83 3i6s n THR 475 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i6s s LYS 476 N -0.45 1.03 0.36 -2.82 1.02 -1.26 -4.26 119.74 113.36 3i6s s LYS 476 Ca 0.67 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.37 3i6s s LYS 476 Cb -0.62 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 3i6s s LYS 476 CO 0.50 0.04 0.62 -1.25 -0.92 0.00 0.00 175.35 174.34 3i6s s PRO 477 N 0.46 3.56 -0.22 -1.68 0.04 -1.26 -5.15 135.00 130.75 3i6s s PRO 477 Ca -0.07 -0.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.66 3i6s s PRO 477 Cb -0.11 -2.58 0.06 0.00 0.04 0.00 0.00 34.50 31.92 3i6s s PRO 477 CO 0.01 0.07 0.66 0.00 0.04 0.00 0.00 177.00 177.78 3i6s s ALA 478 N -2.35 -1.65 1.06 8.56 0.00 -1.26 -4.65 121.76 121.47 3i6s s ALA 478 Ca 0.43 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.99 3i6s s ALA 478 Cb -0.10 -0.92 0.24 0.00 0.00 0.00 0.00 23.12 22.33 3i6s s ALA 478 CO 0.36 -0.32 1.25 -0.35 0.00 0.00 0.00 175.76 176.70 3i6s n PRO 479 N 2.45 -1.70 -3.82 0.00 -0.04 -1.26 -0.03 135.00 130.59 3i6s n PRO 479 Ca -0.15 -1.95 -0.12 0.00 -0.04 0.00 0.00 63.50 61.25 3i6s n PRO 479 Cb 0.56 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 3i6s n PRO 479 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i6s s VAL 480 N -3.64 0.03 -0.10 0.52 1.01 -1.23 -4.44 120.40 112.55 3i6s s VAL 480 Ca 0.73 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 3i6s s VAL 480 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3i6s s VAL 480 CO 0.52 -0.12 1.13 -0.69 0.00 0.00 0.00 175.10 175.94 3i6s s VAL 481 N -0.39 4.47 0.31 2.92 1.01 -0.33 -0.26 120.40 128.13 3i6s s VAL 481 Ca -0.05 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 3i6s s VAL 481 Cb -0.03 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 3i6s s VAL 481 CO 0.01 -0.03 1.56 0.00 0.00 0.00 0.00 175.10 176.64 3i6s s ALA 482 N 2.36 3.71 0.55 5.51 0.00 -0.56 -1.00 121.76 132.33 3i6s s ALA 482 Ca 0.52 1.56 0.26 0.00 0.00 0.00 0.00 51.96 54.30 3i6s s ALA 482 Cb -0.21 -3.64 1.47 0.00 0.00 0.00 0.00 23.12 20.74 3i6s s ALA 482 CO 0.18 -0.98 2.04 0.00 0.00 0.00 0.00 175.76 177.00 3i6s h ALA 483 N 4.51 2.20 -0.01 0.00 0.00 -1.91 -1.65 119.26 122.40 3i6s h ALA 483 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i6s h ALA 483 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i6s h ALA 483 CO 0.76 -0.47 -0.54 -1.13 0.00 0.00 0.00 179.25 177.87 3i6s n SER 484 N -4.15 1.87 -4.67 0.00 3.41 -1.26 -2.52 113.62 106.30 3i6s n SER 484 Ca 0.06 -1.43 -0.42 0.00 -0.26 0.00 0.00 58.87 56.81 3i6s n SER 484 Cb 0.46 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 3i6s n SER 484 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i6s s SER 485 N -2.55 6.43 0.70 4.04 0.15 -0.62 -0.26 113.70 121.60 3i6s s SER 485 Ca 0.17 2.71 -0.16 0.00 0.70 0.00 0.00 55.95 59.37 3i6s s SER 485 Cb 0.18 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3i6s s SER 485 CO 0.61 -1.04 1.26 0.00 1.20 0.00 0.00 173.24 175.27 3i6s s ALA 486 N 3.85 2.20 0.03 5.45 0.00 -0.26 -4.06 121.76 128.98 3i6s s ALA 486 Ca 0.86 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.98 3i6s s ALA 486 Cb -0.44 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 3i6s s ALA 486 CO 0.40 -1.82 -0.18 1.03 0.00 0.00 0.00 175.76 175.19 3i6s s ARG 487 N -3.63 2.12 1.28 0.00 1.81 -1.26 -4.66 118.95 114.61 3i6s s ARG 487 Ca 0.79 -0.95 -0.21 0.00 -1.72 0.00 0.00 55.73 53.64 3i6s s ARG 487 Cb -0.34 -2.20 0.32 0.00 -0.45 0.00 0.00 34.95 32.27 3i6s s ARG 487 CO 0.43 0.55 0.99 0.41 -0.68 0.00 0.00 175.30 177.00 3i6s n GLY 488 N 1.67 -3.16 3.89 -3.53 0.00 -0.16 -0.46 105.19 103.43 3i6s n GLY 488 Ca -0.16 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 3i6s n GLY 488 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i6s s PRO 489 N -5.29 2.92 -0.15 1.61 0.04 -1.26 -0.84 135.00 132.03 3i6s s PRO 489 Ca 0.68 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 3i6s s PRO 489 Cb -0.08 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3i6s s PRO 489 CO 0.54 -0.97 1.79 0.45 0.04 0.00 0.00 177.00 178.85 3i6s s SER 490 N -4.34 6.26 0.00 6.66 0.15 -1.26 -4.13 113.70 117.04 3i6s s SER 490 Ca 0.58 1.94 0.13 0.00 0.70 0.00 0.00 55.95 59.29 3i6s s SER 490 Cb -0.11 -2.53 0.77 0.00 -1.71 0.00 0.00 66.02 62.44 3i6s s SER 490 CO 0.51 -1.30 1.37 0.54 1.20 0.00 0.00 173.24 175.56 3i6s n ARG 491 N 7.77 0.83 -0.00 5.44 1.74 -1.26 -1.41 116.66 129.77 3i6s n ARG 491 Ca 0.21 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.15 3i6s n ARG 491 Cb 0.44 -1.24 -0.14 0.00 -1.02 0.00 0.00 32.46 30.50 3i6s n ARG 491 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3i6s h SER 492 N 0.00 0.17 -0.58 0.55 0.02 -1.89 -0.63 113.55 111.19 3i6s h SER 492 Ca 0.00 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 60.71 3i6s h SER 492 Cb 0.00 -0.05 -0.19 0.00 0.14 0.00 0.00 62.40 62.29 3i6s h SER 492 CO 0.00 1.31 -0.20 -0.47 -1.14 0.00 0.00 176.83 176.33 3i6s s TYR 493 N -2.59 -1.06 0.51 3.45 5.04 -0.50 -4.72 117.35 117.48 3i6s s TYR 493 Ca -0.10 0.50 0.15 0.00 -2.44 0.00 0.00 57.07 55.18 3i6s s TYR 493 Cb 0.07 0.19 1.22 0.00 0.35 0.00 0.00 41.96 43.79 3i6s s TYR 493 CO 0.81 -0.65 2.13 -0.07 -1.34 0.00 0.00 175.55 176.43 3i6s h LEU 494 N 7.18 0.07 -1.17 6.97 3.38 -1.60 -3.23 115.31 126.90 3i6s h LEU 494 Ca -0.04 -0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.23 3i6s h LEU 494 Cb 1.19 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 3i6s h LEU 494 CO 0.01 0.05 0.65 1.23 0.09 0.00 0.00 178.44 180.46 3i6s h GLY 495 N 0.08 1.65 -5.51 0.83 0.00 -1.96 -3.40 103.07 94.77 3i6s h GLY 495 Ca 0.04 -0.23 -0.68 0.00 0.00 0.00 0.00 47.33 46.47 3i6s h GLY 495 CO -0.01 -0.31 -0.87 -0.42 0.00 0.00 0.00 176.54 174.94 3i6s s ILE 496 N -5.58 2.12 0.23 2.60 1.01 -1.22 -4.72 121.20 115.64 3i6s s ILE 496 Ca -0.09 -0.98 -0.32 0.00 0.00 0.00 0.00 60.65 59.26 3i6s s ILE 496 Cb 0.28 -1.83 -0.13 0.00 0.01 0.00 0.00 42.46 40.79 3i6s s ILE 496 CO 0.80 0.55 1.44 -0.24 0.00 0.00 0.00 174.94 177.49 3i6s n SER 497 N 3.75 2.82 -3.86 3.58 2.88 -1.26 -4.62 113.62 116.91 3i6s n SER 497 Ca -0.19 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.36 3i6s n SER 497 Cb 0.52 -1.43 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 3i6s n SER 497 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3i6s s LYS 498 N -0.18 0.37 0.97 -1.46 -0.14 -1.26 -4.60 119.74 113.42 3i6s s LYS 498 Ca 0.70 -0.20 -0.16 0.00 -1.36 0.00 0.00 55.97 54.95 3i6s s LYS 498 Cb -0.65 0.16 0.20 0.00 -1.68 0.00 0.00 37.83 35.85 3i6s s LYS 498 CO 0.48 -0.08 1.32 -1.25 -0.76 0.00 0.00 175.35 175.05 3i6s s PRO 499 N -0.88 0.62 -0.13 -1.68 0.04 -1.25 -2.94 135.00 128.78 3i6s s PRO 499 Ca -0.10 -0.39 -0.12 0.00 0.04 0.00 0.00 61.00 60.43 3i6s s PRO 499 Cb -0.05 -1.84 -0.26 0.00 0.04 0.00 0.00 34.50 32.39 3i6s s PRO 499 CO 0.01 -2.43 0.41 -0.44 0.04 0.00 0.00 177.00 174.58 3i6s h ASP 500 N -1.66 0.35 -5.05 6.66 5.19 -1.06 -3.09 116.42 117.77 3i6s h ASP 500 Ca -0.44 -0.85 -0.05 0.00 -0.62 0.00 0.00 57.03 55.06 3i6s h ASP 500 Cb 1.24 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.49 3i6s h ASP 500 CO 0.38 1.74 -0.04 -0.51 -3.12 0.00 0.00 179.24 177.69 3i6s s ILE 501 N -2.51 0.06 -0.06 0.35 2.07 -1.18 -0.53 121.20 119.40 3i6s s ILE 501 Ca -0.22 -0.45 -0.01 0.00 -1.41 0.00 0.00 60.65 58.55 3i6s s ILE 501 Cb 0.06 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 3i6s s ILE 501 CO 0.74 -0.25 0.01 -0.22 -1.91 0.00 0.00 174.94 173.31 3i6s s LEU 502 N -2.53 3.59 0.12 8.50 0.20 0.10 -0.84 118.68 127.83 3i6s s LEU 502 Ca 0.00 0.11 -0.14 0.00 0.69 0.00 0.00 54.13 54.79 3i6s s LEU 502 Cb 0.01 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.89 3i6s s LEU 502 CO -0.09 0.35 0.35 0.00 -0.29 0.00 0.00 176.35 176.67 3i6s s ALA 503 N -0.96 -0.72 0.11 5.97 0.00 -0.71 -1.86 121.76 123.59 3i6s s ALA 503 Ca 0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 3i6s s ALA 503 Cb -0.11 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 3i6s s ALA 503 CO 0.05 -0.62 1.66 -2.14 0.00 0.00 0.00 175.76 174.71 3i6s s PRO 504 N -3.83 4.19 0.00 0.00 0.02 -1.26 -0.33 135.00 133.78 3i6s s PRO 504 Ca 0.05 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3i6s s PRO 504 Cb 0.02 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.09 3i6s s PRO 504 CO -0.11 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3i6s n GLY 505 N 3.97 1.00 3.68 0.52 0.00 -0.63 -3.26 105.19 110.47 3i6s n GLY 505 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3i6s n GLY 505 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 506 N 0.00 5.16 -0.95 1.61 1.01 -1.14 -0.17 120.40 125.92 3i6s s VAL 506 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 3i6s s VAL 506 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3i6s s VAL 506 CO 0.00 0.24 0.66 0.18 0.00 0.00 0.00 175.10 176.19 3i6s n LEU 507 N 4.40 -2.34 -4.85 3.92 4.77 -1.17 -4.70 117.00 117.03 3i6s n LEU 507 Ca -0.07 -0.93 -0.37 0.00 -0.03 0.00 0.00 56.01 54.61 3i6s n LEU 507 Cb 0.51 -1.97 -0.06 0.00 -2.33 0.00 0.00 43.42 39.56 3i6s n LEU 507 CO 0.41 0.29 -0.08 -0.63 -1.33 0.00 0.00 177.39 176.05 3i6s s ILE 508 N -3.18 5.36 -0.18 -0.08 -1.09 0.44 -4.66 121.20 117.80 3i6s s ILE 508 Ca 0.18 0.41 -0.17 0.00 -2.23 0.00 0.00 60.65 58.84 3i6s s ILE 508 Cb -0.09 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3i6s s ILE 508 CO 0.89 0.59 0.45 -0.22 -1.23 0.00 0.00 174.94 175.41 3i6s s LEU 509 N -0.90 4.18 0.21 2.97 2.96 -1.26 -1.07 118.68 125.78 3i6s s LEU 509 Ca 0.17 0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 54.57 3i6s s LEU 509 Cb -0.13 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.95 3i6s s LEU 509 CO 0.06 -0.09 0.46 0.00 -1.32 0.00 0.00 176.35 175.47 3i6s s ALA 510 N 1.24 -0.46 0.88 5.97 0.00 -0.90 0.29 121.76 128.77 3i6s s ALA 510 Ca 0.22 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 3i6s s ALA 510 Cb -0.15 0.94 0.06 0.00 0.00 0.00 0.00 23.12 23.97 3i6s s ALA 510 CO 0.09 -0.80 0.75 0.00 0.00 0.00 0.00 175.76 175.79 3i6s n ALA 511 N -0.34 -1.51 -3.46 0.00 0.00 -1.26 -1.30 120.51 112.63 3i6s n ALA 511 Ca -0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 3i6s n ALA 511 Cb 0.62 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 3i6s n ALA 511 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i6s s TYR 512 N -2.30 -0.57 0.23 0.00 5.04 0.47 -3.11 117.35 117.11 3i6s s TYR 512 Ca 0.64 1.14 -0.31 0.00 -2.44 0.00 0.00 57.07 56.10 3i6s s TYR 512 Cb -0.25 0.28 -0.11 0.00 0.35 0.00 0.00 41.96 42.22 3i6s s TYR 512 CO 0.60 -0.46 1.65 -2.14 -1.34 0.00 0.00 175.55 173.87 3i6s s PRO 513 N -0.65 4.14 0.21 4.97 0.02 -1.26 -4.47 135.00 137.95 3i6s s PRO 513 Ca -0.07 2.55 0.21 0.00 0.02 0.00 0.00 61.00 63.70 3i6s s PRO 513 Cb -0.03 -3.07 0.90 0.00 0.02 0.00 0.00 34.50 32.32 3i6s s PRO 513 CO 0.05 -0.68 1.65 -0.35 -0.33 0.00 0.00 177.00 177.34 3i6s n PRO 514 N 3.42 0.15 -1.07 5.54 -0.04 -1.25 -3.39 135.00 138.36 3i6s n PRO 514 Ca 0.13 0.40 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 3i6s n PRO 514 Cb 0.37 -1.80 0.15 0.00 -0.04 0.00 0.00 33.50 32.18 3i6s n PRO 514 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3i6s n ASN 515 N -2.08 3.13 -4.15 3.54 6.94 -1.26 -4.38 115.26 116.99 3i6s n ASN 515 Ca 0.02 -3.82 -0.14 0.00 -0.02 0.00 0.00 54.58 50.62 3i6s n ASN 515 Cb 0.20 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 3i6s n ASN 515 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3i6s s VAL 516 N -3.66 0.84 0.00 3.53 -7.23 -1.22 -5.11 120.40 107.54 3i6s s VAL 516 Ca 0.45 -1.55 -0.37 0.00 -1.81 0.00 0.00 61.98 58.71 3i6s s VAL 516 Cb 0.40 -1.24 -0.15 0.00 0.56 0.00 0.00 36.38 35.95 3i6s s VAL 516 CO -0.01 -0.55 1.54 0.33 -0.31 0.00 0.00 175.10 176.10 3i6s n PHE 517 N 0.69 1.89 -0.02 2.82 7.35 -1.26 -4.55 117.46 124.38 3i6s n PHE 517 Ca -0.17 0.46 -0.04 0.00 -0.76 0.00 0.00 57.45 56.94 3i6s n PHE 517 Cb 0.57 -2.44 -0.01 0.00 0.35 0.00 0.00 39.48 37.95 3i6s n PHE 517 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i6s n ALA 518 N 3.83 1.96 -3.17 3.13 0.00 0.26 -4.99 120.51 121.53 3i6s n ALA 518 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 3i6s n ALA 518 Cb 0.21 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 3i6s n ALA 518 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i6s n THR 519 N -3.83 0.00 -4.03 0.00 5.66 -1.14 -5.00 114.28 105.94 3i6s n THR 519 Ca -0.06 -0.29 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 3i6s n THR 519 Cb 0.23 0.18 -0.12 0.00 -1.55 0.00 0.00 70.33 69.06 3i6s n THR 519 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3i6s s SER 520 N -1.35 0.52 -0.03 1.09 0.15 -1.26 -0.65 113.70 112.17 3i6s s SER 520 Ca 0.05 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.35 3i6s s SER 520 Cb -0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3i6s s SER 520 CO 0.03 -0.16 -0.12 -0.63 1.20 0.00 0.00 173.24 173.57 3i6s s ILE 521 N -1.00 1.02 0.00 6.45 1.01 0.18 -3.73 121.20 125.13 3i6s s ILE 521 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3i6s s ILE 521 Cb -0.07 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.50 3i6s s ILE 521 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3i6s n GLY 522 N 3.28 -0.34 0.03 6.18 0.00 0.40 -1.95 105.19 112.80 3i6s n GLY 522 Ca -0.19 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.03 3i6s n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i6s n THR 523 N -1.36 0.18 0.08 2.61 -2.24 -1.26 -4.42 114.28 107.87 3i6s n THR 523 Ca 0.00 -0.17 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 3i6s n THR 523 Cb 0.00 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 3i6s n THR 523 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i6s n ASN 524 N -1.86 0.33 -4.41 3.42 2.04 -1.25 -5.00 115.26 108.54 3i6s n ASN 524 Ca 0.04 -0.67 -0.36 0.00 -0.44 0.00 0.00 54.58 53.15 3i6s n ASN 524 Cb 0.40 0.77 -0.13 0.00 -2.53 0.00 0.00 39.78 38.29 3i6s n ASN 524 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3i6s s ILE 525 N -0.94 4.00 -0.02 1.53 1.01 -0.82 -5.04 121.20 120.92 3i6s s ILE 525 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 3i6s s ILE 525 Cb 0.01 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3i6s s ILE 525 CO 0.06 0.37 0.11 -0.76 0.00 0.00 0.00 174.94 174.73 3i6s s LEU 526 N 1.52 4.08 0.26 2.97 1.43 -1.26 -0.65 118.68 127.02 3i6s s LEU 526 Ca 0.06 0.24 0.12 0.00 -1.03 0.00 0.00 54.13 53.52 3i6s s LEU 526 Cb -0.15 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 3i6s s LEU 526 CO 0.01 0.29 -0.19 -0.76 0.23 0.00 0.00 176.35 175.93 3i6s s LEU 527 N -1.68 2.62 0.33 1.79 1.43 0.17 -4.95 118.68 118.40 3i6s s LEU 527 Ca 0.23 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 3i6s s LEU 527 Cb -0.12 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 3i6s s LEU 527 CO 0.14 0.06 0.07 -0.94 0.23 0.00 0.00 176.35 175.90 3i6s s SER 528 N -3.30 2.39 0.10 2.29 1.04 -1.26 -0.57 113.70 114.38 3i6s s SER 528 Ca 0.28 -1.41 -0.26 0.00 0.48 0.00 0.00 55.95 55.03 3i6s s SER 528 Cb -0.06 -0.00 0.08 0.00 0.10 0.00 0.00 66.02 66.13 3i6s s SER 528 CO 0.14 -0.65 0.87 0.28 0.98 0.00 0.00 173.24 174.86 3i6s s THR 529 N -3.30 0.00 -0.13 2.02 -1.32 -1.26 -4.92 115.64 106.73 3i6s s THR 529 Ca 0.35 -0.33 0.19 0.00 -1.21 0.00 0.00 61.69 60.68 3i6s s THR 529 Cb 0.08 -1.46 -0.18 0.00 -1.51 0.00 0.00 72.50 69.43 3i6s s THR 529 CO 0.15 0.00 0.66 0.47 -2.21 0.00 0.00 174.62 173.69 3i6s n ASP 530 N -0.36 0.56 -3.75 8.08 10.43 -1.26 -3.91 116.55 126.33 3i6s n ASP 530 Ca -0.08 0.24 -0.17 0.00 2.57 0.00 0.00 54.79 57.35 3i6s n ASP 530 Cb 0.62 0.66 -0.17 0.00 1.84 0.00 0.00 41.12 44.07 3i6s n ASP 530 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3i6s s TYR 531 N -3.01 0.10 0.13 1.24 1.51 -1.26 -0.39 117.35 115.67 3i6s s TYR 531 Ca -0.05 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.22 3i6s s TYR 531 Cb 0.09 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 3i6s s TYR 531 CO 0.83 -0.13 -0.15 -1.50 -1.11 0.00 0.00 175.55 173.49 3i6s s ILE 532 N 1.41 1.45 -0.03 2.71 2.07 -0.42 -4.21 121.20 124.19 3i6s s ILE 532 Ca -0.05 -1.77 -0.21 0.00 -1.41 0.00 0.00 60.65 57.21 3i6s s ILE 532 Cb -0.13 -1.62 -0.05 0.00 0.13 0.00 0.00 42.46 40.80 3i6s s ILE 532 CO -0.03 -0.40 0.61 -0.76 -1.91 0.00 0.00 174.94 172.45 3i6s s LEU 533 N -2.52 4.38 -0.08 8.50 1.43 -1.26 -2.12 118.68 127.01 3i6s s LEU 533 Ca 0.11 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.26 3i6s s LEU 533 Cb -0.05 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.26 3i6s s LEU 533 CO 0.04 0.05 0.23 -0.70 0.23 0.00 0.00 176.35 176.20 3i6s s GLU 534 N 0.09 0.30 0.20 1.70 2.56 -0.23 -4.84 118.70 118.48 3i6s s GLU 534 Ca 0.32 0.28 0.10 0.00 0.00 0.00 0.00 54.97 55.67 3i6s s GLU 534 Cb -0.18 0.14 -0.04 0.00 2.00 0.00 0.00 34.13 36.05 3i6s s GLU 534 CO 0.17 -0.04 -0.15 -1.12 -0.56 0.00 0.00 175.26 173.56 3i6s s SER 535 N 0.02 3.94 0.00 -1.70 0.01 -1.26 -0.42 113.70 114.30 3i6s s SER 535 Ca -0.01 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3i6s s SER 535 Cb -0.02 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.67 3i6s s SER 535 CO 0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3i6s n GLY 536 N -0.02 3.71 0.32 3.44 0.00 0.76 -4.81 105.19 108.59 3i6s n GLY 536 Ca -0.10 -1.67 0.21 0.00 0.00 0.00 0.00 46.02 44.46 3i6s n GLY 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i6s h THR 537 N 0.86 0.00 -0.76 2.61 1.35 -1.83 -0.50 112.91 114.64 3i6s h THR 537 Ca 0.00 -0.01 0.08 0.00 -0.55 0.00 0.00 66.41 65.93 3i6s h THR 537 Cb 0.00 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 3i6s h THR 537 CO 0.00 0.00 0.50 0.28 -0.25 0.00 0.00 175.52 176.05 3i6s h SER 538 N 0.00 0.67 0.79 5.36 0.02 -1.89 -1.83 113.55 116.66 3i6s h SER 538 Ca 0.00 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.71 3i6s h SER 538 Cb 0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3i6s h SER 538 CO 0.00 0.42 -1.19 0.24 -1.14 0.00 0.00 176.83 175.16 3i6s h MET 539 N 0.75 0.11 -0.07 3.45 2.86 -1.35 -3.36 114.93 117.33 3i6s h MET 539 Ca 0.34 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3i6s h MET 539 Cb 0.34 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 3i6s h MET 539 CO -0.12 1.04 -0.02 0.00 1.06 0.00 0.00 176.91 178.87 3i6s h ALA 540 N 0.81 0.09 -0.35 6.32 0.00 -1.32 -3.32 119.26 121.50 3i6s h ALA 540 Ca -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.68 3i6s h ALA 540 Cb 1.88 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 3i6s h ALA 540 CO 0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 3i6s h ALA 541 N 0.65 0.10 -0.03 0.00 0.00 -1.50 0.62 119.26 119.10 3i6s h ALA 541 Ca 0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i6s h ALA 541 Cb 0.43 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i6s h ALA 541 CO 0.01 -0.54 0.04 -1.00 0.00 0.00 0.00 179.25 177.76 3i6s h PRO 542 N -0.11 0.00 0.08 0.00 0.13 -1.73 0.41 132.00 130.78 3i6s h PRO 542 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3i6s h PRO 542 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 3i6s h PRO 542 CO -0.42 0.00 -0.04 0.45 -0.23 0.00 0.00 178.00 177.76 3i6s h HIS 543 N 0.00 -0.11 -0.52 1.56 3.86 -0.97 -2.38 115.15 116.60 3i6s h HIS 543 Ca 0.01 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3i6s h HIS 543 Cb 0.10 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3i6s h HIS 543 CO 0.00 0.15 0.34 0.00 0.86 0.00 0.00 177.93 179.28 3i6s h ALA 544 N 0.53 0.66 -0.82 2.45 0.00 -0.94 -2.36 119.26 118.79 3i6s h ALA 544 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i6s h ALA 544 Cb 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3i6s h ALA 544 CO 0.02 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.89 3i6s h ALA 545 N 1.19 1.08 -0.40 0.00 0.00 -0.96 0.33 119.26 120.50 3i6s h ALA 545 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3i6s h ALA 545 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3i6s h ALA 545 CO -0.04 0.34 0.04 0.78 0.00 0.00 0.00 179.25 180.36 3i6s h GLY 546 N 1.01 0.73 0.96 0.00 0.00 -1.22 -0.42 103.07 104.12 3i6s h GLY 546 Ca 0.33 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3i6s h GLY 546 CO -0.12 0.47 0.20 -2.22 0.00 0.00 0.00 176.54 174.86 3i6s h ILE 547 N 0.51 1.17 -0.94 2.60 2.04 -0.86 -1.33 117.51 120.70 3i6s h ILE 547 Ca 0.12 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.55 3i6s h ILE 547 Cb 0.41 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3i6s h ILE 547 CO 0.01 0.18 0.61 0.00 0.00 0.00 0.00 178.15 178.96 3i6s h ALA 548 N 1.05 1.47 -0.55 1.87 0.00 -0.21 -0.30 119.26 122.58 3i6s h ALA 548 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i6s h ALA 548 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i6s h ALA 548 CO -0.02 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 3i6s h ALA 549 N 1.49 0.79 -0.27 0.00 0.00 -0.48 -1.64 119.26 119.16 3i6s h ALA 549 Ca 0.40 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3i6s h ALA 549 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i6s h ALA 549 CO -0.15 0.67 -0.55 0.52 0.00 0.00 0.00 179.25 179.74 3i6s h MET 550 N 0.91 0.81 -0.67 0.00 2.07 -0.65 -1.44 114.93 115.96 3i6s h MET 550 Ca 0.15 -0.51 0.09 0.00 -2.07 0.00 0.00 59.70 57.35 3i6s h MET 550 Cb 0.66 0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 30.38 3i6s h MET 550 CO 0.05 1.14 0.32 -0.07 1.07 0.00 0.00 176.91 179.42 3i6s h LEU 551 N 0.62 0.40 -1.32 1.22 3.38 -0.93 0.32 115.31 118.99 3i6s h LEU 551 Ca 0.01 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3i6s h LEU 551 Cb 1.15 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3i6s h LEU 551 CO 0.12 0.24 -0.33 0.50 0.09 0.00 0.00 178.44 179.05 3i6s h LYS 552 N 0.55 0.00 0.00 1.13 3.11 -0.95 0.28 116.57 120.69 3i6s h LYS 552 Ca 0.33 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.97 3i6s h LYS 552 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 3i6s h LYS 552 CO -0.27 0.33 -0.87 0.00 -2.81 0.00 0.00 179.45 175.83 3i6s h ALA 553 N 1.67 0.53 -0.01 5.00 0.00 -0.19 -2.69 119.26 123.58 3i6s h ALA 553 Ca -0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 3i6s h ALA 553 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i6s h ALA 553 CO 0.04 0.93 -0.90 0.00 0.00 0.00 0.00 179.25 179.32 3i6s h ALA 554 N 1.00 0.43 -2.97 0.00 0.00 -0.26 -3.39 119.26 114.07 3i6s h ALA 554 Ca -0.04 -0.70 -0.61 0.00 0.00 0.00 0.00 54.91 53.56 3i6s h ALA 554 Cb 1.50 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 3i6s h ALA 554 CO 0.13 0.84 -0.74 -1.01 0.00 0.00 0.00 179.25 178.47 3i6s s HIS 555 N -3.28 2.08 -0.62 0.00 3.76 0.02 -4.99 115.29 112.26 3i6s s HIS 555 Ca -0.05 -2.51 0.14 0.00 -0.15 0.00 0.00 55.06 52.49 3i6s s HIS 555 Cb 0.09 -1.92 0.70 0.00 1.11 0.00 0.00 32.58 32.57 3i6s s HIS 555 CO 0.85 -0.77 1.45 -2.30 -0.85 0.00 0.00 174.74 173.12 3i6s n PRO 556 N 3.37 0.09 -0.00 8.40 -0.02 -1.02 -2.12 135.00 143.69 3i6s n PRO 556 Ca 0.11 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3i6s n PRO 556 Cb 0.35 -1.73 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 3i6s n PRO 556 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i6s n GLU 557 N -1.91 0.66 -1.88 -0.52 -0.58 -1.26 -4.97 120.64 110.18 3i6s n GLU 557 Ca 0.01 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 3i6s n GLU 557 Cb 0.09 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 3i6s n GLU 557 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3i6s s TRP 558 N -2.95 2.94 0.73 -0.32 0.52 -0.90 -4.99 118.94 113.96 3i6s s TRP 558 Ca 0.03 0.73 -0.11 0.00 0.02 0.00 0.00 56.10 56.77 3i6s s TRP 558 Cb 0.14 -3.97 0.03 0.00 -1.15 0.00 0.00 33.47 28.52 3i6s s TRP 558 CO 0.79 -3.42 1.07 -1.54 0.02 0.00 0.00 176.95 173.88 3i6s s SER 559 N 0.76 5.05 0.29 2.95 1.04 -1.26 -4.84 113.70 117.68 3i6s s SER 559 Ca 0.66 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.67 3i6s s SER 559 Cb -0.45 -2.37 0.69 0.00 0.10 0.00 0.00 66.02 63.99 3i6s s SER 559 CO 0.39 -1.65 1.72 -0.65 0.98 0.00 0.00 173.24 174.03 3i6s h PRO 560 N -0.86 0.46 -0.44 4.02 0.11 -1.93 -0.88 132.00 132.48 3i6s h PRO 560 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 3i6s h PRO 560 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i6s h PRO 560 CO 0.57 0.30 -0.28 0.77 -0.21 0.00 0.00 178.00 179.15 3i6s h SER 561 N 0.47 1.01 -0.40 -2.05 0.02 -1.92 -1.74 113.55 108.93 3i6s h SER 561 Ca 0.54 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3i6s h SER 561 Cb 0.97 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3i6s h SER 561 CO -0.48 1.21 0.12 0.00 -1.14 0.00 0.00 176.83 176.54 3i6s h ALA 562 N 0.82 0.53 -0.88 3.77 0.00 -1.59 -0.89 119.26 121.03 3i6s h ALA 562 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i6s h ALA 562 Cb 0.87 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3i6s h ALA 562 CO 0.08 0.18 0.47 0.82 0.00 0.00 0.00 179.25 180.80 3i6s h ILE 563 N 0.51 1.26 0.00 0.00 2.04 -1.08 0.37 117.51 120.61 3i6s h ILE 563 Ca 0.13 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3i6s h ILE 563 Cb 0.27 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3i6s h ILE 563 CO -0.00 0.29 -0.25 -0.09 0.00 0.00 0.00 178.15 178.10 3i6s h ARG 564 N 1.23 0.00 0.05 2.37 2.43 -1.08 -2.39 114.38 116.99 3i6s h ARG 564 Ca 0.31 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3i6s h ARG 564 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3i6s h ARG 564 CO -0.05 0.25 -0.02 1.03 -1.51 0.00 0.00 179.97 179.67 3i6s h SER 565 N 0.00 -0.06 -0.70 -3.80 0.87 0.70 -2.03 113.55 108.53 3i6s h SER 565 Ca -0.00 -0.45 0.12 0.00 -1.23 0.00 0.00 61.79 60.22 3i6s h SER 565 Cb 0.48 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.37 3i6s h SER 565 CO 0.03 0.44 0.28 0.00 -0.53 0.00 0.00 176.83 177.05 3i6s h ALA 566 N 0.33 0.96 -0.20 6.23 0.00 -0.21 -0.79 119.26 125.58 3i6s h ALA 566 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3i6s h ALA 566 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i6s h ALA 566 CO 0.01 -0.19 -0.29 0.52 0.00 0.00 0.00 179.25 179.30 3i6s h MET 567 N 0.45 0.38 0.00 0.00 2.07 -1.40 -3.12 114.93 113.30 3i6s h MET 567 Ca 0.37 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.84 3i6s h MET 567 Cb 0.52 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.23 3i6s h MET 567 CO -0.36 0.64 -0.13 0.52 1.07 0.00 0.00 176.91 178.65 3i6s h MET 568 N 0.34 0.00 0.00 1.72 2.07 -0.49 -2.87 114.93 115.70 3i6s h MET 568 Ca 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 3i6s h MET 568 Cb 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 3i6s h MET 568 CO 0.05 0.32 0.00 0.25 1.07 0.00 0.00 176.91 178.60 3i6s n THR 569 N -4.70 0.70 0.38 2.22 -2.24 -0.41 -1.11 114.28 109.12 3i6s n THR 569 Ca -0.05 0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 3i6s n THR 569 Cb 0.19 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 3i6s n THR 569 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3i6s n THR 570 N -1.27 0.00 -1.44 4.28 5.66 -1.18 -1.74 114.28 118.59 3i6s n THR 570 Ca 0.05 -0.38 -0.33 0.00 -3.05 0.00 0.00 64.05 60.34 3i6s n THR 570 Cb 0.08 1.07 0.09 0.00 -1.55 0.00 0.00 70.33 70.01 3i6s n THR 570 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i6s s ALA 571 N -1.41 2.16 -0.23 1.79 0.00 -0.27 -4.56 121.76 119.24 3i6s s ALA 571 Ca 0.06 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 3i6s s ALA 571 Cb 0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3i6s s ALA 571 CO 0.26 -1.78 0.06 0.34 0.00 0.00 0.00 175.76 174.63 3i6s s ASP 572 N -2.34 5.25 0.00 0.00 3.68 -0.47 -4.82 116.67 117.97 3i6s s ASP 572 Ca 0.71 -0.12 0.22 0.00 2.13 0.00 0.00 52.55 55.49 3i6s s ASP 572 Cb -0.25 -1.93 0.86 0.00 -1.45 0.00 0.00 42.92 40.15 3i6s s ASP 572 CO 0.46 0.03 1.61 -0.81 0.13 0.00 0.00 175.17 176.59 3i6s n PRO 573 N 4.47 1.65 -4.25 4.34 -0.04 -1.26 -0.65 135.00 139.26 3i6s n PRO 573 Ca -0.16 -0.98 -0.26 0.00 -0.04 0.00 0.00 63.50 62.06 3i6s n PRO 573 Cb 0.52 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 3i6s n PRO 573 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i6s s LEU 574 N -1.66 3.17 0.00 1.53 1.43 -1.26 -1.09 118.68 120.80 3i6s s LEU 574 Ca 0.33 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3i6s s LEU 574 Cb 0.18 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.66 3i6s s LEU 574 CO 0.28 0.09 0.61 -0.90 0.23 0.00 0.00 176.35 176.65 3i6s n ASP 575 N -0.13 1.43 0.00 2.29 5.68 0.75 -4.76 116.55 121.81 3i6s n ASP 575 Ca -0.10 -2.06 0.01 0.00 -0.50 0.00 0.00 54.79 52.14 3i6s n ASP 575 Cb 0.56 -0.34 0.05 0.00 -1.14 0.00 0.00 41.12 40.25 3i6s n ASP 575 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i6s n ASN 576 N -2.59 0.00 -0.19 -1.12 6.94 0.95 0.16 115.26 119.41 3i6s n ASN 576 Ca 0.12 0.41 0.11 0.00 -0.02 0.00 0.00 54.58 55.19 3i6s n ASN 576 Cb 0.43 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 3i6s n ASN 576 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i6s n THR 577 N -1.42 0.00 -0.91 5.53 -2.24 -1.26 -4.94 114.28 109.04 3i6s n THR 577 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3i6s n THR 577 Cb 0.02 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3i6s n THR 577 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i6s n ARG 578 N -0.93 0.00 -2.75 -0.78 5.12 0.12 -5.05 116.66 112.39 3i6s n ARG 578 Ca 0.06 0.07 -0.21 0.00 -1.93 0.00 0.00 57.85 55.84 3i6s n ARG 578 Cb 0.38 -2.87 0.03 0.00 -1.16 0.00 0.00 32.46 28.84 3i6s n ARG 578 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i6s s LYS 579 N -0.34 2.69 0.17 5.56 1.02 -1.26 -4.78 119.74 122.80 3i6s s LYS 579 Ca 0.00 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 54.95 3i6s s LYS 579 Cb 0.00 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 3i6s s LYS 579 CO 0.00 -0.57 1.49 -1.25 -0.92 0.00 0.00 175.35 174.09 3i6s s PRO 580 N -4.69 4.26 0.29 -1.68 0.04 -1.26 -0.18 135.00 131.79 3i6s s PRO 580 Ca 0.55 2.26 -0.29 0.00 0.04 0.00 0.00 61.00 63.56 3i6s s PRO 580 Cb -0.10 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 3i6s s PRO 580 CO 0.38 -0.51 1.18 -0.89 0.04 0.00 0.00 177.00 177.20 3i6s n ILE 581 N 3.59 1.78 -3.58 0.56 5.41 -0.25 -4.71 119.36 122.16 3i6s n ILE 581 Ca 0.12 -0.44 -0.27 0.00 1.00 0.00 0.00 62.75 63.15 3i6s n ILE 581 Cb 0.40 -1.27 -0.03 0.00 -0.71 0.00 0.00 39.64 38.03 3i6s n ILE 581 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3i6s s LYS 582 N -1.44 3.55 -0.32 0.38 -0.14 -1.26 0.63 119.74 121.14 3i6s s LYS 582 Ca 0.60 -0.24 -0.18 0.00 -1.36 0.00 0.00 55.97 54.78 3i6s s LYS 582 Cb -0.65 -2.77 -0.01 0.00 -1.68 0.00 0.00 37.83 32.71 3i6s s LYS 582 CO 0.59 0.33 0.52 0.34 -0.76 0.00 0.00 175.35 176.38 3i6s s ASP 583 N -3.21 6.36 0.66 2.83 2.15 0.67 -1.19 116.67 124.94 3i6s s ASP 583 Ca 0.40 0.15 0.41 0.00 0.43 0.00 0.00 52.55 53.94 3i6s s ASP 583 Cb -0.11 -2.28 2.24 0.00 -0.30 0.00 0.00 42.92 42.47 3i6s s ASP 583 CO 0.30 -0.43 2.28 -1.28 -0.17 0.00 0.00 175.17 175.86 3i6s h SER 584 N 8.33 0.00 1.33 -0.34 0.87 -1.38 0.82 113.55 123.18 3i6s h SER 584 Ca -0.28 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.15 3i6s h SER 584 Cb 1.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3i6s h SER 584 CO 0.76 0.00 -0.60 -0.78 -0.53 0.00 0.00 176.83 175.68 3i6s h ASP 585 N 0.00 0.00 0.00 6.23 3.58 -1.89 -3.39 116.42 120.96 3i6s h ASP 585 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i6s h ASP 585 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3i6s h ASP 585 CO -0.00 0.60 -0.15 -0.46 -2.88 0.00 0.00 179.24 176.35 3i6s n ASN 586 N -3.28 0.74 -0.31 2.28 2.04 -0.74 -5.02 115.26 110.97 3i6s n ASN 586 Ca 0.01 -0.11 -0.04 0.00 -0.44 0.00 0.00 54.58 54.00 3i6s n ASN 586 Cb 0.76 0.36 -0.02 0.00 -2.53 0.00 0.00 39.78 38.36 3i6s n ASN 586 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3i6s n ASN 587 N -0.44 -4.05 -5.00 0.53 5.03 0.28 -5.01 115.26 106.60 3i6s n ASN 587 Ca 0.00 0.10 -0.18 0.00 0.87 0.00 0.00 54.58 55.37 3i6s n ASN 587 Cb 0.00 -1.91 0.01 0.00 -1.02 0.00 0.00 39.78 36.86 3i6s n ASN 587 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i6s s LYS 588 N -1.74 2.91 0.23 3.52 1.02 -1.25 -4.78 119.74 119.65 3i6s s LYS 588 Ca 0.00 -1.08 -0.32 0.00 0.02 0.00 0.00 55.97 54.59 3i6s s LYS 588 Cb 0.00 -2.74 -0.13 0.00 -0.52 0.00 0.00 37.83 34.43 3i6s s LYS 588 CO 0.00 -0.20 1.50 0.00 -0.92 0.00 0.00 175.35 175.73 3i6s n ALA 589 N -1.84 1.53 -1.77 5.17 0.00 -1.26 -0.24 120.51 122.10 3i6s n ALA 589 Ca 0.05 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 3i6s n ALA 589 Cb 0.59 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 3i6s n ALA 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6s s ALA 590 N 0.28 3.12 0.50 0.00 0.00 0.21 -4.61 121.76 121.26 3i6s s ALA 590 Ca 0.71 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 3i6s s ALA 590 Cb -0.62 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.09 3i6s s ALA 590 CO 0.45 -0.68 0.74 0.99 0.00 0.00 0.00 175.76 177.26 3i6s s THR 591 N -1.40 3.60 0.46 0.00 2.01 -1.26 -4.91 115.64 114.15 3i6s s THR 591 Ca 0.59 -0.44 0.33 0.00 0.31 0.00 0.00 61.69 62.49 3i6s s THR 591 Cb -0.33 -3.36 0.36 0.00 0.01 0.00 0.00 72.50 69.19 3i6s s THR 591 CO 0.41 -0.28 2.17 -0.65 -0.69 0.00 0.00 174.62 175.58 3i6s h PRO 592 N 0.20 0.00 0.00 4.92 0.11 -1.93 0.19 132.00 135.49 3i6s h PRO 592 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i6s h PRO 592 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i6s h PRO 592 CO 0.57 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.69 3i6s n LEU 593 N -3.44 0.00 -0.07 2.35 4.77 -1.26 0.99 117.00 120.34 3i6s n LEU 593 Ca -0.02 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 3i6s n LEU 593 Cb 0.18 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3i6s n LEU 593 CO 0.26 -0.01 -0.99 0.47 -1.33 0.00 0.00 177.39 175.79 3i6s n ASP 594 N -1.17 2.43 -0.06 -1.43 8.00 0.45 -0.99 116.55 123.78 3i6s n ASP 594 Ca 0.17 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3i6s n ASP 594 Cb 0.18 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3i6s n ASP 594 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3i6s n MET 595 N -2.79 0.10 0.00 -1.24 0.00 0.09 -4.85 117.12 108.43 3i6s n MET 595 Ca -0.26 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 56.85 3i6s n MET 595 Cb 0.84 -0.52 0.00 0.00 0.00 0.00 0.00 33.22 33.54 3i6s n MET 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i6s n GLY 596 N -0.02 3.12 0.23 3.17 0.00 0.28 -1.62 105.19 110.34 3i6s n GLY 596 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3i6s n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6s h ALA 597 N -0.80 1.10 0.00 4.61 0.00 -1.05 -3.36 119.26 119.76 3i6s h ALA 597 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i6s h ALA 597 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i6s h ALA 597 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3i6s n GLY 598 N -0.11 0.79 3.71 0.00 0.00 -0.64 -4.24 105.19 104.70 3i6s n GLY 598 Ca -0.01 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3i6s n GLY 598 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i6s s HIS 599 N -2.11 3.59 0.24 1.61 2.46 0.17 0.01 115.29 121.27 3i6s s HIS 599 Ca 0.00 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 56.69 3i6s s HIS 599 Cb 0.00 -2.98 -0.15 0.00 -0.13 0.00 0.00 32.58 29.32 3i6s s HIS 599 CO 0.00 -0.01 1.09 0.28 -2.47 0.00 0.00 174.74 173.64 3i6s n VAL 600 N 3.97 1.51 -3.55 0.89 0.31 -0.78 -1.37 118.33 119.33 3i6s n VAL 600 Ca 0.03 -0.38 -0.27 0.00 -0.01 0.00 0.00 64.34 63.71 3i6s n VAL 600 Cb 0.51 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 3i6s n VAL 600 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i6s n ASP 601 N 1.60 1.11 -0.24 4.52 -0.08 -1.26 -4.82 116.55 117.38 3i6s n ASP 601 Ca 0.12 -2.78 -0.03 0.00 -1.51 0.00 0.00 54.79 50.59 3i6s n ASP 601 Cb 0.29 -0.64 0.03 0.00 2.34 0.00 0.00 41.12 43.14 3i6s n ASP 601 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i6s h PRO 602 N 5.26 -0.10 -0.63 -0.67 0.13 -1.93 -1.86 132.00 132.21 3i6s h PRO 602 Ca 0.20 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.38 3i6s h PRO 602 Cb 0.83 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 3i6s h PRO 602 CO 0.54 -0.07 0.36 -0.91 -0.23 0.00 0.00 178.00 177.69 3i6s h ASN 603 N -0.11 0.56 -0.41 1.44 2.35 -1.94 -1.46 115.58 116.01 3i6s h ASN 603 Ca 0.27 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3i6s h ASN 603 Cb 0.55 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3i6s h ASN 603 CO -0.73 0.38 0.10 0.03 -1.65 0.00 0.00 177.43 175.55 3i6s h ARG 604 N 0.69 0.66 -0.06 0.81 3.08 -1.78 -2.75 114.38 115.02 3i6s h ARG 604 Ca 0.27 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.18 3i6s h ARG 604 Cb 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i6s h ARG 604 CO -0.14 0.67 0.28 0.00 -1.07 0.00 0.00 179.97 179.71 3i6s h ALA 605 N 0.96 1.41 0.00 0.04 0.00 -0.48 0.28 119.26 121.46 3i6s h ALA 605 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i6s h ALA 605 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i6s h ALA 605 CO 0.00 -0.31 -0.21 1.25 0.00 0.00 0.00 179.25 179.98 3i6s h LEU 606 N 0.00 0.00 -6.08 0.00 5.85 -1.12 -3.37 115.31 110.59 3i6s h LEU 606 Ca 0.03 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.19 3i6s h LEU 606 Cb 0.59 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.24 3i6s h LEU 606 CO -0.00 0.21 -1.07 -0.67 -0.34 0.00 0.00 178.44 176.57 3i6s n ASP 607 N -4.06 -0.06 0.12 1.25 -0.08 0.99 -4.97 116.55 109.74 3i6s n ASP 607 Ca -0.02 -2.61 0.13 0.00 -1.51 0.00 0.00 54.79 50.78 3i6s n ASP 607 Cb 0.28 -0.58 0.32 0.00 2.34 0.00 0.00 41.12 43.48 3i6s n ASP 607 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i6s h PRO 608 N 4.45 0.00 0.00 -0.67 0.13 -1.72 -3.48 132.00 130.71 3i6s h PRO 608 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i6s h PRO 608 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3i6s h PRO 608 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 3i6s n GLY 609 N 1.27 1.64 3.29 1.56 0.00 -1.26 -4.64 105.19 107.06 3i6s n GLY 609 Ca 0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3i6s n GLY 609 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6s s LEU 610 N 0.00 2.15 0.03 0.99 1.43 -1.26 -0.10 118.68 121.91 3i6s s LEU 610 Ca 0.00 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3i6s s LEU 610 Cb 0.00 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3i6s s LEU 610 CO 0.00 0.22 -0.19 0.68 0.23 0.00 0.00 176.35 177.30 3i6s s VAL 611 N -0.76 1.50 -0.67 -1.59 -7.23 -0.68 -4.84 120.40 106.14 3i6s s VAL 611 Ca 0.10 -1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 59.01 3i6s s VAL 611 Cb -0.09 -1.30 0.08 0.00 0.56 0.00 0.00 36.38 35.63 3i6s s VAL 611 CO 0.02 0.23 0.93 -0.31 -0.31 0.00 0.00 175.10 175.66 3i6s s TYR 612 N -0.70 2.75 0.67 2.82 2.02 -1.26 -1.63 117.35 122.02 3i6s s TYR 612 Ca 0.06 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.06 3i6s s TYR 612 Cb -0.08 -4.25 0.07 0.00 -0.40 0.00 0.00 41.96 37.30 3i6s s TYR 612 CO 0.01 -1.59 0.95 0.34 -1.57 0.00 0.00 175.55 173.70 3i6s s ASP 613 N 3.68 4.76 -0.07 2.29 -1.08 -1.26 -4.36 116.67 120.63 3i6s s ASP 613 Ca 0.21 0.12 -0.30 0.00 -0.52 0.00 0.00 52.55 52.06 3i6s s ASP 613 Cb -0.17 -0.75 0.11 0.00 -1.46 0.00 0.00 42.92 40.65 3i6s s ASP 613 CO 0.08 -1.58 0.97 0.00 0.52 0.00 0.00 175.17 175.16 3i6s s ALA 614 N -3.11 -1.89 0.27 3.66 0.00 -1.26 -4.75 121.76 114.68 3i6s s ALA 614 Ca 0.61 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.88 3i6s s ALA 614 Cb -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 3i6s s ALA 614 CO 0.43 -0.60 -0.09 0.95 0.00 0.00 0.00 175.76 176.45 3i6s s THR 615 N -2.61 1.80 0.21 0.00 -4.23 -1.26 -4.76 115.64 104.79 3i6s s THR 615 Ca 0.04 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.28 3i6s s THR 615 Cb -0.01 -2.36 0.18 0.00 1.34 0.00 0.00 72.50 71.65 3i6s s THR 615 CO -0.06 -0.37 1.69 -0.65 -0.54 0.00 0.00 174.62 174.68 3i6s h PRO 616 N 2.32 0.19 -0.76 3.99 0.11 -1.88 0.12 132.00 136.08 3i6s h PRO 616 Ca -0.40 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.85 3i6s h PRO 616 Cb 1.23 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3i6s h PRO 616 CO 0.66 0.12 0.51 0.37 -0.21 0.00 0.00 178.00 179.45 3i6s h GLN 617 N 0.19 0.41 -0.38 1.05 5.75 -1.96 0.37 115.11 120.54 3i6s h GLN 617 Ca 0.32 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 3i6s h GLN 617 Cb 0.51 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3i6s h GLN 617 CO -0.46 0.27 0.09 -0.44 -2.65 0.00 0.00 178.83 175.64 3i6s h ASP 618 N 0.42 0.52 0.06 -0.69 3.32 -1.16 -1.10 116.42 117.79 3i6s h ASP 618 Ca 0.38 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 57.11 3i6s h ASP 618 Cb 0.86 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 40.30 3i6s h ASP 618 CO -0.12 0.52 -1.00 1.88 -1.72 0.00 0.00 179.24 178.80 3i6s h TYR 619 N 0.55 0.90 -0.23 4.55 -1.99 -0.77 -2.25 116.97 117.72 3i6s h TYR 619 Ca 0.13 -0.53 0.06 0.00 2.00 0.00 0.00 58.73 60.39 3i6s h TYR 619 Cb 0.22 -0.08 -0.07 0.00 2.00 0.00 0.00 36.73 38.79 3i6s h TYR 619 CO 0.01 1.37 -0.25 0.28 -0.00 0.00 0.00 178.16 179.57 3i6s h VAL 620 N 0.17 0.39 -0.82 -2.88 2.07 -1.17 0.62 116.25 114.63 3i6s h VAL 620 Ca -0.14 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.50 3i6s h VAL 620 Cb 1.69 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3i6s h VAL 620 CO 0.19 0.00 0.53 0.78 0.02 0.00 0.00 177.57 179.10 3i6s h ASN 621 N -0.26 0.61 0.01 0.57 2.35 -1.20 0.40 115.58 118.05 3i6s h ASN 621 Ca 0.13 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3i6s h ASN 621 Cb 0.46 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3i6s h ASN 621 CO -0.38 0.34 -0.00 0.25 -1.65 0.00 0.00 177.43 175.99 3i6s h LEU 622 N 0.67 -0.01 -0.97 1.61 6.46 -0.60 -1.89 115.31 120.57 3i6s h LEU 622 Ca 0.39 -0.51 0.14 0.00 -0.12 0.00 0.00 57.88 57.78 3i6s h LEU 622 Cb 0.60 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 3i6s h LEU 622 CO -0.16 0.51 0.59 0.25 -0.62 0.00 0.00 178.44 179.02 3i6s h LEU 623 N -0.53 0.83 -1.24 2.25 5.85 0.10 -1.37 115.31 121.21 3i6s h LEU 623 Ca -0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3i6s h LEU 623 Cb 0.52 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3i6s h LEU 623 CO 0.00 0.40 0.15 0.00 -0.34 0.00 0.00 178.44 178.65 3i6s n SER 625 N -4.33 0.00 0.18 0.00 3.41 -0.52 -2.80 113.62 109.56 3i6s n SER 625 Ca 0.03 -0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.60 3i6s n SER 625 Cb 0.18 -0.24 0.42 0.00 -0.26 0.00 0.00 64.21 64.31 3i6s n SER 625 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i6s h LEU 626 N 0.00 0.00 -2.14 1.04 4.07 -1.32 -3.48 115.31 113.49 3i6s h LEU 626 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 3i6s h LEU 626 Cb 0.20 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.06 3i6s h LEU 626 CO 0.00 0.00 -0.84 0.59 -1.08 0.00 0.00 178.44 177.11 3i6s n ASN 627 N -2.68 -3.35 -4.91 -0.43 3.02 -1.12 -5.01 115.26 100.78 3i6s n ASN 627 Ca 0.03 -0.78 -0.27 0.00 -0.03 0.00 0.00 54.58 53.53 3i6s n ASN 627 Cb 0.39 -4.48 0.02 0.00 -0.61 0.00 0.00 39.78 35.10 3i6s n ASN 627 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i6s s PHE 628 N -3.50 3.41 0.87 3.10 2.99 -1.26 -5.06 117.98 118.53 3i6s s PHE 628 Ca 0.19 0.79 -0.12 0.00 0.00 0.00 0.00 56.93 57.79 3i6s s PHE 628 Cb -0.04 -2.58 0.11 0.00 0.00 0.00 0.00 43.02 40.50 3i6s s PHE 628 CO 0.78 -0.62 1.10 0.25 -0.00 0.00 0.00 175.22 176.74 3i6s n THR 629 N -2.50 0.92 0.37 0.64 -2.24 -1.26 -4.73 114.28 105.47 3i6s n THR 629 Ca 0.03 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 3i6s n THR 629 Cb 0.56 -1.05 0.54 0.00 -2.10 0.00 0.00 70.33 68.28 3i6s n THR 629 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3i6s h GLU 630 N -1.42 0.00 0.01 -0.78 4.11 -1.98 -0.09 114.58 114.43 3i6s h GLU 630 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 3i6s h GLU 630 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3i6s h GLU 630 CO 0.43 0.00 -0.12 1.49 0.07 0.00 0.00 179.01 180.88 3i6s h GLU 631 N 0.00 0.07 -0.42 1.06 4.81 -1.99 -1.80 114.58 116.31 3i6s h GLU 631 Ca 0.00 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3i6s h GLU 631 Cb 0.37 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3i6s h GLU 631 CO 0.00 0.89 0.13 1.96 -0.73 0.00 0.00 179.01 181.26 3i6s h GLN 632 N -0.71 0.27 -0.68 1.92 4.20 -1.83 -0.16 115.11 118.12 3i6s h GLN 632 Ca -0.02 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.77 3i6s h GLN 632 Cb 0.94 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 3i6s h GLN 632 CO 0.02 0.18 0.33 0.35 -0.67 0.00 0.00 178.83 179.04 3i6s h PHE 633 N 0.28 0.59 -0.39 2.96 3.57 -1.06 -1.50 116.94 121.39 3i6s h PHE 633 Ca 0.20 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3i6s h PHE 633 Cb 0.21 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3i6s h PHE 633 CO -0.17 0.21 -0.10 0.87 -2.23 0.00 0.00 178.31 176.89 3i6s h LYS 634 N 0.57 0.67 -0.41 1.11 1.79 -0.57 -1.36 116.57 118.36 3i6s h LYS 634 Ca 0.33 -0.20 0.06 0.00 -2.18 0.00 0.00 60.65 58.67 3i6s h LYS 634 Cb 0.35 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 3i6s h LYS 634 CO -0.27 0.75 0.08 1.15 -1.08 0.00 0.00 179.45 180.09 3i6s h THR 635 N 0.61 0.79 0.10 -0.16 2.02 -0.00 -2.46 112.91 113.81 3i6s h THR 635 Ca 0.11 -0.07 -0.26 0.00 0.77 0.00 0.00 66.41 66.95 3i6s h THR 635 Cb 0.53 0.55 0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3i6s h THR 635 CO 0.03 0.04 -1.09 0.40 0.37 0.00 0.00 175.52 175.27 3i6s h ILE 636 N 0.21 1.33 -0.31 3.11 2.04 -1.26 -3.34 117.51 119.29 3i6s h ILE 636 Ca 0.20 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.67 3i6s h ILE 636 Cb 0.24 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3i6s h ILE 636 CO -0.26 0.72 0.00 0.00 0.00 0.00 0.00 178.15 178.61 3i6s n ALA 637 N -2.66 2.47 -0.04 1.87 0.00 -0.53 -4.70 120.51 116.91 3i6s n ALA 637 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3i6s n ALA 637 Cb 0.92 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3i6s n ALA 637 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i6s n ARG 638 N 0.58 0.00 -0.36 0.00 0.00 -0.93 -0.56 116.66 115.39 3i6s n ARG 638 Ca 0.15 0.12 0.07 0.00 -0.00 0.00 0.00 57.85 58.19 3i6s n ARG 638 Cb 0.35 -0.19 0.14 0.00 -0.00 0.00 0.00 32.46 32.76 3i6s n ARG 638 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i6s n SER 639 N -1.67 1.83 0.00 2.89 3.41 -1.26 -4.54 113.62 114.27 3i6s n SER 639 Ca 0.00 -3.16 0.10 0.00 -0.26 0.00 0.00 58.87 55.55 3i6s n SER 639 Cb 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 3i6s n SER 639 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i6s n SER 640 N -1.08 0.71 -3.53 4.04 3.41 0.28 -4.99 113.62 112.46 3i6s n SER 640 Ca 0.15 -0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 57.99 3i6s n SER 640 Cb 0.69 1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 65.80 3i6s n SER 640 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s s ALA 641 N -3.14 -1.31 0.21 7.33 0.00 -1.22 -5.11 121.76 118.52 3i6s s ALA 641 Ca 0.04 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.33 3i6s s ALA 641 Cb 0.15 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 3i6s s ALA 641 CO 0.87 -0.74 -0.16 -1.54 0.00 0.00 0.00 175.76 174.19 3i6s s SER 642 N -2.78 3.87 -1.14 0.00 1.04 -1.26 -4.85 113.70 108.58 3i6s s SER 642 Ca 0.03 -0.76 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 3i6s s SER 642 Cb -0.00 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3i6s s SER 642 CO -0.11 0.09 1.82 -2.28 0.98 0.00 0.00 173.24 173.73 3i6s s HIS 643 N -1.86 2.23 0.00 5.02 2.46 -1.26 -4.99 115.29 116.89 3i6s s HIS 643 Ca 0.25 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.53 3i6s s HIS 643 Cb -0.08 -4.31 0.00 0.00 -0.13 0.00 0.00 32.58 28.06 3i6s s HIS 643 CO 0.13 -1.58 0.00 0.00 -2.47 0.00 0.00 174.74 170.83 3i6s n SER 646 N 0.00 3.28 -3.00 0.00 3.41 -1.26 -4.51 113.62 111.54 3i6s n SER 646 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.37 3i6s n SER 646 Cb 0.00 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 3i6s n SER 646 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i6s n ASN 647 N 1.45 3.38 -4.66 4.04 3.02 -1.26 -5.09 115.26 116.14 3i6s n ASN 647 Ca 0.17 -3.48 -0.43 0.00 -0.03 0.00 0.00 54.58 50.82 3i6s n ASN 647 Cb 0.61 -0.57 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3i6s n ASN 647 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i6s n PRO 648 N -0.10 1.78 -3.33 3.52 -0.04 -1.26 -4.75 135.00 130.82 3i6s n PRO 648 Ca 0.29 0.63 0.02 0.00 -0.04 0.00 0.00 63.50 64.40 3i6s n PRO 648 Cb 0.48 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 3i6s n PRO 648 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i6s s SER 649 N -0.46 -0.95 0.16 3.54 0.15 -0.74 -4.95 113.70 110.45 3i6s s SER 649 Ca 0.58 0.91 0.23 0.00 0.70 0.00 0.00 55.95 58.37 3i6s s SER 649 Cb -0.60 1.92 0.08 0.00 -1.71 0.00 0.00 66.02 65.71 3i6s s SER 649 CO 0.60 -0.18 1.09 0.00 1.20 0.00 0.00 173.24 175.96 3i6s n ALA 650 N 5.33 2.71 -1.28 5.45 0.00 -1.26 -3.10 120.51 128.37 3i6s n ALA 650 Ca -0.07 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.74 3i6s n ALA 650 Cb 0.51 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3i6s n ALA 650 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i6s n ASP 651 N -2.46 5.34 -4.73 0.00 2.03 -1.26 -4.93 116.55 110.54 3i6s n ASP 651 Ca 0.01 -2.61 -0.42 0.00 0.52 0.00 0.00 54.79 52.29 3i6s n ASP 651 Cb 0.51 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 3i6s n ASP 651 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3i6s s LEU 652 N 0.93 4.37 -0.94 -2.67 1.98 -1.26 -4.85 118.68 116.23 3i6s s LEU 652 Ca 0.54 2.69 -0.25 0.00 -2.89 0.00 0.00 54.13 54.22 3i6s s LEU 652 Cb 0.14 -3.61 -0.12 0.00 0.66 0.00 0.00 46.19 43.27 3i6s s LEU 652 CO -0.03 -0.80 2.14 0.21 -1.89 0.00 0.00 176.35 175.98 3i6s s ASN 653 N 0.77 4.37 -0.02 3.68 2.47 -1.26 -4.91 114.94 120.03 3i6s s ASN 653 Ca 0.65 -0.63 0.04 0.00 0.42 0.00 0.00 52.86 53.34 3i6s s ASN 653 Cb -0.44 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 36.77 3i6s s ASN 653 CO 0.38 -3.57 -0.13 -0.47 -3.72 0.00 0.00 177.10 169.58 3i6s s TYR 654 N 13.17 2.72 -0.82 0.43 5.04 -1.26 -4.66 117.35 131.97 3i6s s TYR 654 Ca 0.80 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 3i6s s TYR 654 Cb -0.08 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.64 3i6s s TYR 654 CO 0.08 0.25 0.42 -0.35 -1.34 0.00 0.00 175.55 174.60 3i6s n PRO 655 N 1.98 0.71 -3.94 4.97 -0.04 -1.26 -4.76 135.00 132.66 3i6s n PRO 655 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 3i6s n PRO 655 Cb 0.52 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 3i6s n PRO 655 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i6s s SER 656 N -0.06 -0.10 -0.02 3.54 1.04 -1.26 -4.32 113.70 112.51 3i6s s SER 656 Ca 0.00 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.62 3i6s s SER 656 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3i6s s SER 656 CO 0.00 -1.09 -0.06 -0.36 0.98 0.00 0.00 173.24 172.71 3i6s s PHE 657 N -3.98 0.70 -0.03 5.02 0.40 -0.55 -4.88 117.98 114.66 3i6s s PHE 657 Ca 0.19 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.39 3i6s s PHE 657 Cb -0.00 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 43.01 3i6s s PHE 657 CO 0.05 -0.08 -0.11 -1.50 0.70 0.00 0.00 175.22 174.28 3i6s s ILE 658 N 0.25 0.97 -0.23 0.64 2.07 -1.26 -1.10 121.20 122.54 3i6s s ILE 658 Ca -0.03 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 3i6s s ILE 658 Cb -0.08 -0.86 0.05 0.00 0.13 0.00 0.00 42.46 41.70 3i6s s ILE 658 CO 0.00 0.30 -0.13 0.00 -1.91 0.00 0.00 174.94 173.19 3i6s s ALA 659 N 0.20 2.43 0.08 1.50 0.00 0.47 -4.96 121.76 121.48 3i6s s ALA 659 Ca -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3i6s s ALA 659 Cb -0.10 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 3i6s s ALA 659 CO 0.01 -0.91 0.22 -0.51 0.00 0.00 0.00 175.76 174.58 3i6s s LEU 660 N 1.19 4.35 -0.09 0.00 1.43 -1.26 -1.16 118.68 123.16 3i6s s LEU 660 Ca -0.04 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3i6s s LEU 660 Cb -0.18 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 43.13 3i6s s LEU 660 CO -0.08 0.15 0.18 -0.72 0.23 0.00 0.00 176.35 176.11 3i6s s TYR 661 N -1.55 -0.22 0.64 0.29 1.13 -0.29 -4.93 117.35 112.42 3i6s s TYR 661 Ca 0.35 0.64 -0.18 0.00 -1.41 0.00 0.00 57.07 56.48 3i6s s TYR 661 Cb -0.13 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 3i6s s TYR 661 CO 0.28 -0.25 0.94 0.45 -2.51 0.00 0.00 175.55 174.46 3i6s n SER 662 N 4.94 0.60 -0.11 -0.18 2.88 -1.26 -1.98 113.62 118.51 3i6s n SER 662 Ca -0.12 0.76 0.07 0.00 -1.33 0.00 0.00 58.87 58.24 3i6s n SER 662 Cb 0.51 -1.39 0.10 0.00 -0.75 0.00 0.00 64.21 62.68 3i6s n SER 662 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i6s n ILE 663 N -1.96 1.62 -2.71 2.46 -0.00 -1.26 -4.84 119.36 112.67 3i6s n ILE 663 Ca 0.14 -1.83 -0.43 0.00 -0.00 0.00 0.00 62.75 60.62 3i6s n ILE 663 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 3i6s n ILE 663 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3i6s n GLU 664 N -1.06 3.69 0.00 6.28 1.02 -1.26 -4.92 120.64 124.39 3i6s n GLU 664 Ca 0.11 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 3i6s n GLU 664 Cb 0.53 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3i6s n GLU 664 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i6s n GLY 665 N 2.89 0.15 3.76 0.62 0.00 -1.26 -5.06 105.19 106.29 3i6s n GLY 665 Ca 0.35 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3i6s n GLY 665 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i6s s ASN 666 N -4.00 7.09 -0.20 1.61 0.01 -1.26 -5.03 114.94 113.16 3i6s s ASN 666 Ca 0.00 2.25 -0.14 0.00 -0.71 0.00 0.00 52.86 54.26 3i6s s ASN 666 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 3i6s s ASN 666 CO 0.00 -0.27 0.29 -0.36 -1.51 0.00 0.00 177.10 175.25 3i6s s PHE 667 N -1.28 3.39 0.00 2.20 0.40 -1.26 -5.03 117.98 116.40 3i6s s PHE 667 Ca 0.48 0.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.34 3i6s s PHE 667 Cb -0.30 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 3i6s s PHE 667 CO 0.39 0.10 -0.09 -0.08 0.70 0.00 0.00 175.22 176.23 3i6s s THR 668 N 0.95 0.71 -0.36 0.64 -1.32 -1.26 -4.96 115.64 110.05 3i6s s THR 668 Ca 0.15 -0.47 -0.45 0.00 -1.21 0.00 0.00 61.69 59.71 3i6s s THR 668 Cb -0.14 -0.61 -0.20 0.00 -1.51 0.00 0.00 72.50 70.04 3i6s s THR 668 CO 0.05 0.14 1.45 -0.11 -2.21 0.00 0.00 174.62 173.94 3i6s n LEU 669 N 2.70 0.86 -4.59 9.08 -0.00 -1.26 -4.75 117.00 119.04 3i6s n LEU 669 Ca -0.14 1.18 -0.23 0.00 -0.00 0.00 0.00 56.01 56.81 3i6s n LEU 669 Cb 0.57 -0.89 -0.08 0.00 -0.00 0.00 0.00 43.42 43.02 3i6s n LEU 669 CO 0.25 -1.14 -0.37 -0.76 -0.00 0.00 0.00 177.39 175.37 3i6s s LEU 670 N 2.15 3.00 0.02 -1.96 1.43 0.26 -4.97 118.68 118.59 3i6s s LEU 670 Ca 1.01 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3i6s s LEU 670 Cb -1.43 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 3i6s s LEU 670 CO 0.75 -0.01 -0.03 -0.70 0.23 0.00 0.00 176.35 176.58 3i6s s GLU 671 N -3.63 0.27 0.01 1.70 2.12 -1.26 -0.71 118.70 117.19 3i6s s GLU 671 Ca 0.31 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 3i6s s GLU 671 Cb -0.05 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 3i6s s GLU 671 CO 0.18 -0.01 0.02 -1.14 -0.54 0.00 0.00 175.26 173.78 3i6s s GLN 672 N -0.95 0.28 -0.07 4.30 2.00 -0.14 -5.00 119.66 120.07 3i6s s GLN 672 Ca -0.09 -0.40 0.02 0.00 -2.00 0.00 0.00 55.36 52.89 3i6s s GLN 672 Cb -0.06 0.11 0.02 0.00 0.80 0.00 0.00 33.01 33.87 3i6s s GLN 672 CO -0.00 -0.05 -0.10 0.15 -0.50 0.00 0.00 175.29 174.78 3i6s s LYS 673 N -1.06 1.54 -0.08 1.67 1.02 -1.26 -1.15 119.74 120.42 3i6s s LYS 673 Ca -0.12 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.58 3i6s s LYS 673 Cb -0.07 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.87 3i6s s LYS 673 CO -0.00 -0.04 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.12 3i6s s PHE 674 N 0.89 2.57 -0.20 3.18 0.08 0.12 -4.97 117.98 119.66 3i6s s PHE 674 Ca -0.11 -0.67 -0.07 0.00 0.12 0.00 0.00 56.93 56.21 3i6s s PHE 674 Cb -0.15 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3i6s s PHE 674 CO 0.01 -0.19 0.05 0.21 -0.10 0.00 0.00 175.22 175.20 3i6s s LYS 675 N -0.07 3.82 0.04 0.44 2.20 -1.26 -0.66 119.74 124.25 3i6s s LYS 675 Ca -0.05 -0.42 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3i6s s LYS 675 Cb -0.14 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 3i6s s LYS 675 CO 0.04 0.13 -0.15 1.03 -0.36 0.00 0.00 175.35 176.04 3i6s s ARG 676 N 0.75 0.98 -0.07 4.03 1.81 -0.41 -4.78 118.95 121.27 3i6s s ARG 676 Ca 0.02 -0.79 0.05 0.00 -1.72 0.00 0.00 55.73 53.29 3i6s s ARG 676 Cb -0.14 -1.01 -0.01 0.00 -0.45 0.00 0.00 34.95 33.34 3i6s s ARG 676 CO 0.02 0.25 -0.21 0.99 -0.68 0.00 0.00 175.30 175.67 3i6s s THR 677 N -0.86 2.38 -0.10 0.02 2.01 -1.26 -0.75 115.64 117.07 3i6s s THR 677 Ca 0.02 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3i6s s THR 677 Cb -0.08 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.55 3i6s s THR 677 CO 0.01 0.57 -0.09 0.54 -0.69 0.00 0.00 174.62 174.96 3i6s s VAL 678 N -0.21 1.09 -0.05 3.82 0.11 0.62 -4.30 120.40 121.48 3i6s s VAL 678 Ca -0.02 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 3i6s s VAL 678 Cb -0.13 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 3i6s s VAL 678 CO 0.03 0.37 0.21 0.28 -3.33 0.00 0.00 175.10 172.66 3i6s s THR 679 N 1.36 5.40 -0.37 5.04 -1.32 -0.65 -1.74 115.64 123.36 3i6s s THR 679 Ca -0.01 0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.39 3i6s s THR 679 Cb -0.14 -3.50 0.01 0.00 -1.51 0.00 0.00 72.50 67.36 3i6s s THR 679 CO -0.05 0.48 0.81 0.21 -2.21 0.00 0.00 174.62 173.86 3i6s s ASN 680 N -1.43 6.57 0.00 8.08 2.47 -0.55 -1.68 114.94 128.40 3i6s s ASN 680 Ca 0.22 0.39 0.20 0.00 0.42 0.00 0.00 52.86 54.09 3i6s s ASN 680 Cb -0.13 -2.41 0.34 0.00 -1.45 0.00 0.00 41.25 37.60 3i6s s ASN 680 CO 0.12 -0.76 1.30 1.33 -3.72 0.00 0.00 177.10 175.36 3i6s n VAL 681 N 5.84 0.43 0.00 -5.21 0.24 0.85 -0.52 118.33 119.96 3i6s n VAL 681 Ca 0.04 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3i6s n VAL 681 Cb 0.48 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3i6s n VAL 681 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i6s n GLY 682 N 1.27 -0.57 3.50 7.63 0.00 -0.93 -4.81 105.19 111.28 3i6s n GLY 682 Ca 0.16 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.61 3i6s n GLY 682 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6s n ALA 685 N -3.00 -3.16 -3.60 4.61 0.00 -1.25 -5.09 120.51 109.02 3i6s n ALA 685 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 53.44 53.97 3i6s n ALA 685 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 3i6s n ALA 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6s s ALA 686 N -0.04 -2.08 0.01 0.00 0.00 -0.46 -4.98 121.76 114.22 3i6s s ALA 686 Ca 0.87 1.47 0.03 0.00 0.00 0.00 0.00 51.96 54.33 3i6s s ALA 686 Cb -1.19 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3i6s s ALA 686 CO 0.56 -0.65 -0.10 0.95 0.00 0.00 0.00 175.76 176.52 3i6s s THR 687 N -2.45 0.76 -0.01 0.00 -4.23 -1.26 -0.03 115.64 108.41 3i6s s THR 687 Ca 0.10 -0.65 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 3i6s s THR 687 Cb -0.00 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 3i6s s THR 687 CO -0.05 0.04 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 3i6s s TYR 688 N -0.57 1.85 -0.13 3.99 1.51 0.04 -2.06 117.35 121.98 3i6s s TYR 688 Ca 0.01 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3i6s s TYR 688 Cb -0.06 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3i6s s TYR 688 CO 0.00 -0.02 -0.03 0.15 -1.11 0.00 0.00 175.55 174.54 3i6s s LYS 689 N -0.53 3.37 -0.05 -0.62 1.02 -0.78 -0.83 119.74 121.33 3i6s s LYS 689 Ca 0.08 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3i6s s LYS 689 Cb -0.08 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3i6s s LYS 689 CO -0.01 0.43 1.01 0.00 -0.92 0.00 0.00 175.35 175.86 3i6s s ALA 690 N -0.13 3.30 -0.14 5.17 0.00 -0.96 -2.06 121.76 126.94 3i6s s ALA 690 Ca 0.03 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.41 3i6s s ALA 690 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3i6s s ALA 690 CO 0.02 -0.44 0.04 0.21 0.00 0.00 0.00 175.76 175.59 3i6s s LYS 691 N 1.56 3.58 -0.05 0.00 2.20 0.55 -4.96 119.74 122.62 3i6s s LYS 691 Ca 0.51 -0.35 0.04 0.00 -0.36 0.00 0.00 55.97 55.80 3i6s s LYS 691 Cb -0.20 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 3i6s s LYS 691 CO 0.23 0.46 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.01 3i6s s LEU 692 N -0.19 2.65 -0.25 5.43 1.02 -1.26 -1.42 118.68 124.66 3i6s s LEU 692 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 3i6s s LEU 692 Cb -0.12 -1.53 0.07 0.00 0.02 0.00 0.00 46.19 44.64 3i6s s LEU 692 CO 0.02 0.34 0.03 -0.75 0.02 0.00 0.00 176.35 176.01 3i6s s LYS 693 N -0.69 0.95 0.13 1.70 2.20 -0.76 -4.99 119.74 118.27 3i6s s LYS 693 Ca 0.11 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 3i6s s LYS 693 Cb -0.11 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.92 3i6s s LYS 693 CO 0.00 -0.75 0.99 0.00 -0.36 0.00 0.00 175.35 175.24 3i6s s ALA 694 N 1.63 3.28 0.55 3.13 0.00 -1.26 -0.43 121.76 128.66 3i6s s ALA 694 Ca 0.02 0.64 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 3i6s s ALA 694 Cb -0.18 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3i6s s ALA 694 CO -0.13 -0.06 0.62 -2.30 0.00 0.00 0.00 175.76 173.89 3i6s n PRO 695 N 2.63 0.63 -1.17 0.00 -0.02 -1.25 -4.74 135.00 131.08 3i6s n PRO 695 Ca 0.02 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 3i6s n PRO 695 Cb 0.48 -1.77 0.05 0.00 -0.02 0.00 0.00 33.50 32.24 3i6s n PRO 695 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i6s n LYS 696 N -0.12 0.12 -4.30 -0.52 4.81 -1.26 -2.66 118.16 114.23 3i6s n LYS 696 Ca 0.12 0.06 -0.31 0.00 -0.87 0.00 0.00 58.31 57.31 3i6s n LYS 696 Cb 0.46 -1.45 -0.09 0.00 0.02 0.00 0.00 35.03 33.97 3i6s n LYS 696 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i6s n ASN 697 N 1.14 0.85 -3.60 3.14 3.02 -1.26 -4.91 115.26 113.64 3i6s n ASN 697 Ca 0.07 -1.26 -0.05 0.00 -0.03 0.00 0.00 54.58 53.30 3i6s n ASN 697 Cb 0.51 -1.69 -0.02 0.00 -0.61 0.00 0.00 39.78 37.97 3i6s n ASN 697 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i6s s SER 698 N -4.38 -0.24 0.09 6.41 1.04 -1.09 -4.16 113.70 111.38 3i6s s SER 698 Ca 0.01 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.39 3i6s s SER 698 Cb -0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3i6s s SER 698 CO 0.99 -0.58 -0.19 0.42 0.98 0.00 0.00 173.24 174.86 3i6s s THR 699 N -2.94 1.57 0.06 2.02 -4.23 0.00 -4.63 115.64 107.49 3i6s s THR 699 Ca 0.09 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3i6s s THR 699 Cb -0.00 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 3i6s s THR 699 CO -0.05 -0.08 -0.06 0.27 -0.54 0.00 0.00 174.62 174.16 3i6s s ILE 700 N -1.16 0.50 -0.09 2.99 -4.36 -1.26 -0.05 121.20 117.77 3i6s s ILE 700 Ca 0.05 -1.43 -0.17 0.00 -0.26 0.00 0.00 60.65 58.84 3i6s s ILE 700 Cb -0.10 -1.03 0.04 0.00 1.25 0.00 0.00 42.46 42.62 3i6s s ILE 700 CO 0.04 -0.63 0.41 -0.94 0.24 0.00 0.00 174.94 174.06 3i6s s SER 701 N -2.20 -0.38 0.38 4.36 1.04 -0.17 -4.98 113.70 111.75 3i6s s SER 701 Ca -0.02 0.56 0.08 0.00 0.48 0.00 0.00 55.95 57.05 3i6s s SER 701 Cb -0.03 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 3i6s s SER 701 CO -0.03 -0.31 -0.02 0.54 0.98 0.00 0.00 173.24 174.40 3i6s s VAL 702 N -0.51 2.12 -0.29 5.02 0.11 -1.26 -0.44 120.40 125.15 3i6s s VAL 702 Ca -0.06 -2.06 -0.16 0.00 -2.93 0.00 0.00 61.98 56.77 3i6s s VAL 702 Cb -0.03 -2.87 0.15 0.00 -1.53 0.00 0.00 36.38 32.10 3i6s s VAL 702 CO 0.03 -0.08 0.99 -0.55 -3.33 0.00 0.00 175.10 172.16 3i6s s SER 703 N -3.68 -0.51 1.03 3.54 0.15 -0.82 -4.40 113.70 109.01 3i6s s SER 703 Ca 0.34 0.79 -0.12 0.00 0.70 0.00 0.00 55.95 57.66 3i6s s SER 703 Cb 0.07 1.30 0.21 0.00 -1.71 0.00 0.00 66.02 65.89 3i6s s SER 703 CO 0.18 -0.12 1.07 -2.16 1.20 0.00 0.00 173.24 173.41 3i6s s PRO 704 N 1.58 0.14 0.00 5.44 0.04 -1.26 -0.70 135.00 140.23 3i6s s PRO 704 Ca -0.08 0.82 0.26 0.00 0.04 0.00 0.00 61.00 62.05 3i6s s PRO 704 Cb -0.04 -1.68 0.92 0.00 0.04 0.00 0.00 34.50 33.74 3i6s s PRO 704 CO -0.15 -3.01 1.66 1.04 0.04 0.00 0.00 177.00 176.59 3i6s n GLN 705 N -4.41 1.73 -3.80 4.56 6.02 -1.26 -4.85 117.38 115.37 3i6s n GLN 705 Ca 0.05 -1.08 -0.13 0.00 -0.01 0.00 0.00 57.00 55.84 3i6s n GLN 705 Cb 0.55 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 30.24 3i6s n GLN 705 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i6s s ILE 706 N -1.94 0.02 -0.17 5.09 1.01 -1.26 -2.27 121.20 121.68 3i6s s ILE 706 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3i6s s ILE 706 Cb 0.20 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.32 3i6s s ILE 706 CO 0.32 -0.08 -0.09 -0.76 0.00 0.00 0.00 174.94 174.32 3i6s s LEU 707 N -0.23 1.85 -0.13 2.97 1.43 -0.01 -4.98 118.68 119.58 3i6s s LEU 707 Ca -0.03 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 3i6s s LEU 707 Cb -0.03 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3i6s s LEU 707 CO 0.01 -0.13 0.13 -0.69 0.23 0.00 0.00 176.35 175.89 3i6s s VAL 708 N 1.51 5.40 -0.12 -1.59 1.01 -1.26 -0.78 120.40 124.57 3i6s s VAL 708 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3i6s s VAL 708 Cb -0.15 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3i6s s VAL 708 CO -0.09 0.58 -0.10 -0.36 0.00 0.00 0.00 175.10 175.14 3i6s s PHE 709 N -0.73 1.67 0.09 5.22 0.08 0.95 -4.99 117.98 120.28 3i6s s PHE 709 Ca 0.13 -0.86 -0.14 0.00 0.12 0.00 0.00 56.93 56.18 3i6s s PHE 709 Cb -0.12 -1.32 -0.12 0.00 -0.57 0.00 0.00 43.02 40.89 3i6s s PHE 709 CO 0.03 -0.54 1.35 0.87 -0.10 0.00 0.00 175.22 176.82 3i6s h LYS 710 N 8.04 0.72 0.00 0.44 1.57 -1.95 -1.21 116.57 124.18 3i6s h LYS 710 Ca -0.32 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 57.97 3i6s h LYS 710 Cb 1.14 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3i6s h LYS 710 CO 0.45 1.11 0.00 0.27 -0.57 0.00 0.00 179.45 180.70 3i6s n ASN 711 N -4.13 -0.10 0.00 0.86 0.23 -1.26 -3.83 115.26 107.03 3i6s n ASN 711 Ca -0.06 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 3i6s n ASN 711 Cb 0.60 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 3i6s n ASN 711 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3i6s n ASN 713 N -2.10 0.00 -4.66 0.53 3.02 0.32 -4.75 115.26 107.63 3i6s n ASN 713 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3i6s n ASN 713 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3i6s n ASN 713 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3i6s n GLU 714 N 0.00 1.58 -4.31 3.52 2.13 -1.26 -4.55 120.64 117.75 3i6s n GLU 714 Ca 0.00 0.57 -0.31 0.00 0.66 0.00 0.00 57.16 58.08 3i6s n GLU 714 Cb 0.00 -2.24 -0.10 0.00 0.27 0.00 0.00 31.44 29.38 3i6s n GLU 714 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i6s s LYS 715 N -2.22 2.34 -0.06 5.31 1.02 -1.26 -1.48 119.74 123.39 3i6s s LYS 715 Ca 0.64 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.69 3i6s s LYS 715 Cb -0.51 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3i6s s LYS 715 CO 0.56 0.55 0.15 -1.14 -0.92 0.00 0.00 175.35 174.54 3i6s s GLN 716 N -1.91 0.16 0.33 1.68 2.00 -0.71 -4.99 119.66 116.22 3i6s s GLN 716 Ca 0.20 0.23 0.08 0.00 -2.00 0.00 0.00 55.36 53.88 3i6s s GLN 716 Cb -0.11 0.05 -0.04 0.00 0.80 0.00 0.00 33.01 33.70 3i6s s GLN 716 CO 0.12 -0.04 0.15 -1.12 -0.50 0.00 0.00 175.29 173.90 3i6s s SER 717 N 0.24 4.78 0.30 6.67 0.01 -1.26 -0.27 113.70 124.17 3i6s s SER 717 Ca -0.01 -0.71 -0.20 0.00 1.31 0.00 0.00 55.95 56.34 3i6s s SER 717 Cb -0.03 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.44 3i6s s SER 717 CO -0.01 -0.28 0.73 -0.72 0.41 0.00 0.00 173.24 173.38 3i6s s TYR 718 N -2.39 -0.12 -0.06 2.43 1.13 0.07 -4.62 117.35 113.78 3i6s s TYR 718 Ca 0.38 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.66 3i6s s TYR 718 Cb -0.03 0.73 0.02 0.00 -1.10 0.00 0.00 41.96 41.58 3i6s s TYR 718 CO 0.23 -1.31 -0.04 0.99 -2.51 0.00 0.00 175.55 172.91 3i6s s THR 719 N -3.60 0.60 -0.09 -3.49 2.01 0.12 -1.29 115.64 109.90 3i6s s THR 719 Ca 0.12 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 3i6s s THR 719 Cb -0.06 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3i6s s THR 719 CO 0.08 0.26 0.14 -0.22 -0.69 0.00 0.00 174.62 174.19 3i6s s LEU 720 N 1.23 4.33 -0.05 4.42 2.96 0.17 -1.95 118.68 129.78 3i6s s LEU 720 Ca -0.06 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3i6s s LEU 720 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3i6s s LEU 720 CO -0.02 0.37 -0.04 0.28 -1.32 0.00 0.00 176.35 175.62 3i6s s THR 721 N -1.10 0.56 -0.05 3.68 -1.32 0.41 0.16 115.64 117.99 3i6s s THR 721 Ca 0.18 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.59 3i6s s THR 721 Cb -0.12 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.25 3i6s s THR 721 CO 0.08 0.24 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.93 3i6s s ILE 722 N 1.05 2.88 -0.18 5.08 1.09 -0.30 -1.00 121.20 129.82 3i6s s ILE 722 Ca -0.09 -0.79 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 3i6s s ILE 722 Cb -0.14 -2.11 0.02 0.00 -1.06 0.00 0.00 42.46 39.16 3i6s s ILE 722 CO -0.01 0.59 -0.19 -0.13 -0.10 0.00 0.00 174.94 175.09 3i6s s ARG 723 N -0.63 2.98 0.25 2.79 0.52 0.93 -0.97 118.95 124.81 3i6s s ARG 723 Ca 0.09 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 3i6s s ARG 723 Cb -0.11 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 3i6s s ARG 723 CO 0.01 -0.22 0.33 1.52 0.02 0.00 0.00 175.30 176.96 3i6s s TYR 724 N 1.29 0.83 -0.07 -0.53 1.13 0.11 -0.82 117.35 119.29 3i6s s TYR 724 Ca 0.05 -1.10 -0.07 0.00 -1.41 0.00 0.00 57.07 54.54 3i6s s TYR 724 Cb -0.13 -0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.57 3i6s s TYR 724 CO -0.13 -0.87 0.19 -1.50 -2.51 0.00 0.00 175.55 170.73 3i6s s ILE 725 N -3.91 -0.00 0.52 -3.49 2.07 -1.26 0.89 121.20 116.02 3i6s s ILE 725 Ca 0.31 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.54 3i6s s ILE 725 Cb 0.02 -0.28 0.11 0.00 0.13 0.00 0.00 42.46 42.45 3i6s s ILE 725 CO 0.13 0.00 0.71 0.61 -1.91 0.00 0.00 174.94 174.48 3i6s n GLY 726 N 3.01 0.46 2.18 1.50 0.00 -1.26 -5.01 105.19 106.07 3i6s n GLY 726 Ca -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3i6s n GLY 726 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6s n ASP 727 N -3.01 -3.26 0.00 1.61 5.68 -1.26 -4.89 116.55 111.43 3i6s n ASP 727 Ca 0.11 0.81 0.00 0.00 -0.50 0.00 0.00 54.79 55.22 3i6s n ASP 727 Cb 0.41 3.08 0.00 0.00 -1.14 0.00 0.00 41.12 43.47 3i6s n ASP 727 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3i6s n SER 731 N -3.46 0.00 -3.99 -1.12 2.88 -1.26 -5.12 113.62 101.55 3i6s n SER 731 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3i6s n SER 731 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3i6s n SER 731 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3i6s s ARG 732 N -2.65 1.56 0.27 -1.46 3.00 -1.26 -4.54 118.95 113.88 3i6s s ARG 732 Ca 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 55.73 54.07 3i6s s ARG 732 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 34.95 31.94 3i6s s ARG 732 CO 0.00 -0.84 0.55 -0.80 0.00 0.00 0.00 175.30 174.22 3i6s s ASN 733 N 1.07 6.51 0.10 0.23 0.01 -1.22 -4.84 114.94 116.79 3i6s s ASN 733 Ca 0.05 0.79 0.07 0.00 -0.71 0.00 0.00 52.86 53.06 3i6s s ASN 733 Cb -0.19 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 3i6s s ASN 733 CO -0.09 -0.15 -0.18 0.54 -1.51 0.00 0.00 177.10 175.71 3i6s s VAL 734 N -1.99 1.46 0.00 1.60 0.11 -1.26 -1.25 120.40 119.06 3i6s s VAL 734 Ca 0.45 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 3i6s s VAL 734 Cb -0.11 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 3i6s s VAL 734 CO 0.27 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 3i6s n GLY 735 N 1.05 3.04 3.84 6.54 0.00 -0.31 -3.79 105.19 115.56 3i6s n GLY 735 Ca -0.19 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 3i6s n GLY 735 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6s s SER 736 N 1.26 -0.05 -0.06 1.61 1.04 0.43 -0.59 113.70 117.34 3i6s s SER 736 Ca 0.00 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 3i6s s SER 736 Cb 0.00 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3i6s s SER 736 CO 0.00 -1.08 0.12 -0.51 0.98 0.00 0.00 173.24 172.75 3i6s s ILE 737 N -2.53 -0.17 -0.13 -1.02 2.07 -0.10 -1.83 121.20 117.49 3i6s s ILE 737 Ca 0.18 0.35 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 3i6s s ILE 737 Cb -0.03 -0.23 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 3i6s s ILE 737 CO 0.05 0.15 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.16 3i6s s THR 738 N 2.03 2.57 -0.63 4.00 2.01 -0.51 -1.37 115.64 123.75 3i6s s THR 738 Ca 0.01 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 3i6s s THR 738 Cb -0.12 -2.05 0.11 0.00 0.01 0.00 0.00 72.50 70.44 3i6s s THR 738 CO -0.05 0.53 0.77 0.26 -0.69 0.00 0.00 174.62 175.45 3i6s s TRP 739 N 0.52 2.99 -0.18 4.92 0.51 0.42 -0.33 118.94 127.78 3i6s s TRP 739 Ca -0.11 -0.97 -0.16 0.00 -2.12 0.00 0.00 56.10 52.73 3i6s s TRP 739 Cb -0.16 -4.07 -0.04 0.00 -0.81 0.00 0.00 33.47 28.39 3i6s s TRP 739 CO 0.04 -1.35 0.42 0.54 -0.51 0.00 0.00 176.95 176.10 3i6s s VAL 740 N 2.78 5.20 0.19 4.03 0.11 -0.87 -1.34 120.40 130.49 3i6s s VAL 740 Ca 0.14 0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 59.67 3i6s s VAL 740 Cb -0.21 -3.75 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 3i6s s VAL 740 CO 0.05 0.27 1.35 -0.70 -3.33 0.00 0.00 175.10 172.74 3i6s s GLU 741 N 1.10 4.36 -0.04 1.54 2.12 -0.33 -1.86 118.70 125.59 3i6s s GLU 741 Ca 0.21 2.09 -0.22 0.00 0.36 0.00 0.00 54.97 57.41 3i6s s GLU 741 Cb -0.15 -3.19 -0.27 0.00 0.26 0.00 0.00 34.13 30.77 3i6s s GLU 741 CO 0.08 -0.32 0.97 1.96 -0.54 0.00 0.00 175.26 177.41 3i6s h GLN 742 N 5.65 0.29 -1.19 4.30 1.08 -1.77 -3.33 115.11 120.15 3i6s h GLN 742 Ca -0.44 -0.40 -0.67 0.00 -1.45 0.00 0.00 58.65 55.68 3i6s h GLN 742 Cb 1.21 0.14 -0.31 0.00 -0.05 0.00 0.00 27.48 28.46 3i6s h GLN 742 CO 0.79 1.14 0.57 0.09 -0.95 0.00 0.00 178.83 180.47 3i6s n ASN 743 N -4.25 7.09 -1.94 1.46 3.02 -1.26 -4.97 115.26 114.42 3i6s n ASN 743 Ca -0.12 -3.79 0.01 0.00 -0.03 0.00 0.00 54.58 50.65 3i6s n ASN 743 Cb 0.70 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3i6s n ASN 743 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6s n GLY 744 N -0.79 0.56 0.58 7.41 0.00 -1.25 -5.06 105.19 106.64 3i6s n GLY 744 Ca 0.57 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.73 3i6s n GLY 744 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6s n ASN 745 N -0.51 2.40 -4.79 1.61 3.02 -1.26 -4.62 115.26 111.11 3i6s n ASN 745 Ca 0.01 -3.48 -0.38 0.00 -0.03 0.00 0.00 54.58 50.71 3i6s n ASN 745 Cb 0.20 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 3i6s n ASN 745 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i6s s HIS 746 N -3.06 3.77 -0.22 3.10 3.76 -1.26 -4.96 115.29 116.43 3i6s s HIS 746 Ca 0.38 1.59 -0.04 0.00 -0.15 0.00 0.00 55.06 56.83 3i6s s HIS 746 Cb 0.34 -2.75 0.08 0.00 1.11 0.00 0.00 32.58 31.36 3i6s s HIS 746 CO 0.00 0.39 0.12 0.45 -0.85 0.00 0.00 174.74 174.85 3i6s s SER 747 N -1.43 2.67 -0.51 1.40 0.15 -1.26 -1.19 113.70 113.53 3i6s s SER 747 Ca 0.41 -0.82 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 3i6s s SER 747 Cb -0.20 -0.21 0.08 0.00 -1.71 0.00 0.00 66.02 63.98 3i6s s SER 747 CO 0.24 -0.38 0.52 -0.69 1.20 0.00 0.00 173.24 174.13 3i6s s VAL 748 N 2.15 5.07 -0.10 4.45 1.01 -0.45 -4.73 120.40 127.80 3i6s s VAL 748 Ca 0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3i6s s VAL 748 Cb -0.16 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3i6s s VAL 748 CO -0.20 -0.78 0.03 -0.60 0.00 0.00 0.00 175.10 173.56 3i6s s ARG 749 N 2.05 3.14 -0.06 2.72 3.52 -0.71 -0.44 118.95 129.17 3i6s s ARG 749 Ca 0.08 -0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 3i6s s ARG 749 Cb -0.24 -2.89 0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3i6s s ARG 749 CO 0.07 0.68 -0.01 -1.12 -0.81 0.00 0.00 175.30 174.11 3i6s s SER 750 N -0.80 1.20 0.62 -2.12 0.01 -0.47 -3.76 113.70 108.39 3i6s s SER 750 Ca 0.12 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.17 3i6s s SER 750 Cb -0.12 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 3i6s s SER 750 CO 0.02 -0.14 1.04 -2.16 0.41 0.00 0.00 173.24 172.42 3i6s s PRO 751 N 1.49 3.35 -0.02 12.44 0.04 -1.26 -0.92 135.00 150.11 3i6s s PRO 751 Ca -0.02 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.02 3i6s s PRO 751 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3i6s s PRO 751 CO -0.03 -0.77 -0.11 0.42 0.04 0.00 0.00 177.00 176.55 3i6s s ILE 752 N -2.85 0.89 -0.07 0.56 1.01 0.24 -1.48 121.20 119.50 3i6s s ILE 752 Ca 0.59 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 3i6s s ILE 752 Cb -0.13 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3i6s s ILE 752 CO 0.46 0.27 0.16 0.54 0.00 0.00 0.00 174.94 176.37 3i6s s VAL 753 N 0.08 -0.02 0.19 2.92 0.11 -0.26 -1.17 120.40 122.26 3i6s s VAL 753 Ca -0.02 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3i6s s VAL 753 Cb -0.08 -0.24 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 3i6s s VAL 753 CO 0.00 0.03 0.45 0.42 -3.33 0.00 0.00 175.10 172.67 3i6s s THR 754 N 0.53 5.09 -0.11 5.04 -4.23 -0.38 -0.39 115.64 121.19 3i6s s THR 754 Ca -0.04 0.12 -0.23 0.00 -1.18 0.00 0.00 61.69 60.35 3i6s s THR 754 Cb -0.05 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.20 3i6s s THR 754 CO -0.03 -0.06 0.57 -0.55 -0.54 0.00 0.00 174.62 174.02 3i6s s SER 755 N -2.57 -0.55 0.87 3.99 0.15 -0.31 -3.46 113.70 111.82 3i6s s SER 755 Ca 0.43 0.78 -0.11 0.00 0.70 0.00 0.00 55.95 57.75 3i6s s SER 755 Cb -0.12 0.76 0.11 0.00 -1.71 0.00 0.00 66.02 65.07 3i6s s SER 755 CO 0.25 -0.41 1.10 -2.84 1.20 0.00 0.00 173.24 172.54 3i6s s PRO 756 N -0.61 1.46 -0.44 5.44 0.02 -1.26 -1.13 135.00 138.47 3i6s s PRO 756 Ca -0.07 1.19 -0.18 0.00 0.02 0.00 0.00 61.00 61.96 3i6s s PRO 756 Cb -0.03 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.72 3i6s s PRO 756 CO 0.05 -2.21 0.48 0.42 -0.33 0.00 0.00 177.00 175.41 3i6s s ILE 757 N -2.80 5.04 0.35 2.83 1.01 -0.84 -4.62 121.20 122.17 3i6s s ILE 757 Ca 0.64 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.95 3i6s s ILE 757 Cb -0.20 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 3i6s s ILE 757 CO 0.57 -0.52 0.40 0.27 0.00 0.00 0.00 174.94 175.66 3i6s s ILE 758 N 2.23 3.64 -0.25 2.92 -4.36 -1.26 -4.64 121.20 119.48 3i6s s ILE 758 Ca 0.13 -1.17 -0.39 0.00 -0.26 0.00 0.00 60.65 58.95 3i6s s ILE 758 Cb -0.18 -3.25 -0.15 0.00 1.25 0.00 0.00 42.46 40.13 3i6s s ILE 758 CO 0.13 -0.14 1.78 -0.62 0.24 0.00 0.00 174.94 176.34 3i6s n GLU 759 N -1.55 1.34 -3.19 0.37 -0.58 -1.26 -4.97 120.64 110.80 3i6s n GLU 759 Ca 0.00 0.49 -0.23 0.00 -0.42 0.00 0.00 57.16 57.00 3i6s n GLU 759 Cb 0.59 -2.21 -0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3i6s n GLU 759 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3i6s s VAL 760 N 3.72 4.59 -2.30 2.62 1.01 -1.26 -4.85 120.40 123.93 3i6s s VAL 760 Ca 0.98 -0.47 0.30 0.00 0.00 0.00 0.00 61.98 62.78 3i6s s VAL 760 Cb -1.00 -3.68 0.69 0.00 0.00 0.00 0.00 36.38 32.39 3i6s s VAL 760 CO 0.63 -0.46 1.94 0.79 0.00 0.00 0.00 175.10 178.00