#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqx s SER 86 N 0.00 2.96 0.13 0.00 0.01 -1.26 -5.11 113.70 110.43 3kqx s SER 86 Ca 0.00 -1.05 -0.29 0.00 1.31 0.00 0.00 55.95 55.92 3kqx s SER 86 Cb 0.00 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 3kqx s SER 86 CO 0.00 -0.12 0.93 -1.83 0.41 0.00 0.00 173.24 172.63 3kqx s GLU 87 N -3.61 4.70 -0.22 12.44 1.03 -1.26 -4.95 118.70 126.83 3kqx s GLU 87 Ca 0.26 1.41 -0.28 0.00 0.03 0.00 0.00 54.97 56.39 3kqx s GLU 87 Cb -0.02 -3.36 0.00 0.00 -0.80 0.00 0.00 34.13 29.96 3kqx s GLU 87 CO 0.10 0.28 0.99 0.08 -1.33 0.00 0.00 175.26 175.38 3kqx s VAL 88 N -0.23 4.72 0.73 1.83 1.01 -1.26 -5.03 120.40 122.16 3kqx s VAL 88 Ca 0.45 1.92 -0.13 0.00 0.00 0.00 0.00 61.98 64.22 3kqx s VAL 88 Cb -0.23 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.92 3kqx s VAL 88 CO 0.29 -0.14 1.12 -2.16 0.00 0.00 0.00 175.10 174.21 3kqx s PRO 89 N 3.03 2.38 0.08 2.72 0.04 -1.26 -4.97 135.00 137.01 3kqx s PRO 89 Ca 0.42 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.87 3kqx s PRO 89 Cb -0.15 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3kqx s PRO 89 CO 0.07 -1.58 -0.10 -0.65 0.04 0.00 0.00 177.00 174.78 3kqx s GLN 90 N -4.40 0.75 -0.17 4.56 -0.21 -1.26 -5.02 119.66 113.91 3kqx s GLN 90 Ca 0.66 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 3kqx s GLN 90 Cb -0.21 -0.51 -0.23 0.00 1.00 0.00 0.00 33.01 33.07 3kqx s GLN 90 CO 0.48 0.09 0.27 0.28 -2.12 0.00 0.00 175.29 174.29 3kqx n VAL 91 N 0.94 1.66 -4.40 1.09 0.31 -1.26 -4.97 118.33 111.70 3kqx n VAL 91 Ca -0.19 -0.37 -0.21 0.00 -0.01 0.00 0.00 64.34 63.56 3kqx n VAL 91 Cb 0.56 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 3kqx n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kqx s VAL 92 N -2.47 1.96 -0.35 2.52 -7.23 -1.26 -5.04 120.40 108.53 3kqx s VAL 92 Ca -0.26 -2.26 0.24 0.00 -1.81 0.00 0.00 61.98 57.89 3kqx s VAL 92 Cb 0.07 -2.20 0.25 0.00 0.56 0.00 0.00 36.38 35.05 3kqx s VAL 92 CO 0.68 -0.48 1.72 0.77 -0.31 0.00 0.00 175.10 177.48 3kqx h SER 93 N 2.41 0.00 0.67 4.85 4.64 -2.04 -1.72 113.55 122.37 3kqx h SER 93 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kqx h SER 93 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kqx h SER 93 CO 0.62 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.71 3kqx n LEU 94 N -2.30 0.12 -4.73 5.97 4.77 -1.26 -4.86 117.00 114.71 3kqx n LEU 94 Ca 0.01 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 3kqx n LEU 94 Cb 0.17 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3kqx n LEU 94 CO 0.17 0.02 1.15 -1.81 -1.33 0.00 0.00 177.39 175.59 3kqx s ASP 95 N -2.72 6.64 0.65 -1.43 1.01 -0.65 -4.97 116.67 115.19 3kqx s ASP 95 Ca 0.23 2.63 -0.15 0.00 0.71 0.00 0.00 52.55 55.96 3kqx s ASP 95 Cb 0.20 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 3kqx s ASP 95 CO 0.50 -0.75 1.12 -2.16 0.21 0.00 0.00 175.17 174.10 3kqx s PRO 96 N 0.24 2.80 0.00 8.23 0.04 -1.26 -4.97 135.00 140.07 3kqx s PRO 96 Ca 0.63 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kqx s PRO 96 Cb -0.42 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3kqx s PRO 96 CO 0.38 -1.26 0.70 0.25 0.04 0.00 0.00 177.00 177.11 3kqx n THR 97 N -2.32 0.48 -3.69 1.26 -2.24 -1.26 -4.87 114.28 101.64 3kqx n THR 97 Ca 0.11 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 3kqx n THR 97 Cb 0.52 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 3kqx n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqx s SER 98 N -0.48 -0.22 -0.21 3.42 1.04 -1.26 -4.67 113.70 111.31 3kqx s SER 98 Ca 0.00 -0.41 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 3kqx s SER 98 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 3kqx s SER 98 CO 0.00 -0.92 0.92 -0.63 0.98 0.00 0.00 173.24 173.59 3kqx s ILE 99 N -3.84 4.78 0.34 -1.02 1.01 -1.26 -4.90 121.20 116.32 3kqx s ILE 99 Ca 0.06 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.22 3kqx s ILE 99 Cb 0.01 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3kqx s ILE 99 CO -0.08 -0.09 1.24 -2.16 0.00 0.00 0.00 174.94 173.85 3kqx s PRO 100 N 2.78 4.33 -0.03 2.79 0.04 -1.26 -5.01 135.00 138.64 3kqx s PRO 100 Ca 0.40 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3kqx s PRO 100 Cb -0.16 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.40 3kqx s PRO 100 CO 0.09 -0.15 -0.00 0.42 0.04 0.00 0.00 177.00 177.39 3kqx s ILE 101 N -1.20 0.20 -0.28 0.56 -1.09 -1.26 -4.95 121.20 113.18 3kqx s ILE 101 Ca 0.50 0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.88 3kqx s ILE 101 Cb -0.37 -0.30 -0.05 0.00 -1.58 0.00 0.00 42.46 40.17 3kqx s ILE 101 CO 0.48 0.15 0.20 -1.61 -1.23 0.00 0.00 174.94 172.93 3kqx s GLU 102 N 1.03 3.96 -0.24 2.79 0.41 -1.26 -4.97 118.70 120.41 3kqx s GLU 102 Ca -0.10 -0.29 -0.17 0.00 -0.41 0.00 0.00 54.97 54.00 3kqx s GLU 102 Cb -0.14 -3.66 -0.14 0.00 -1.78 0.00 0.00 34.13 28.42 3kqx s GLU 102 CO -0.02 -0.18 -0.14 0.66 -0.49 0.00 0.00 175.26 175.09 3kqx n TYR 103 N 5.05 0.41 -2.80 1.61 4.02 -1.26 -4.85 117.16 119.34 3kqx n TYR 103 Ca -0.14 0.18 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 3kqx n TYR 103 Cb 0.52 -1.01 -0.04 0.00 -0.02 0.00 0.00 39.34 38.79 3kqx n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqx s ASN 104 N -7.14 6.49 0.31 7.72 -0.87 -1.26 -5.03 114.94 115.16 3kqx s ASN 104 Ca -0.34 0.09 0.09 0.00 -1.57 0.00 0.00 52.86 51.13 3kqx s ASN 104 Cb 0.11 -2.46 -0.05 0.00 -0.02 0.00 0.00 41.25 38.83 3kqx s ASN 104 CO 0.52 -1.09 0.04 0.42 -2.57 0.00 0.00 177.10 174.42 3kqx s THR 105 N 3.84 3.04 0.53 1.60 -4.23 -1.26 -5.01 115.64 114.15 3kqx s THR 105 Ca 0.37 -1.87 0.32 0.00 -1.18 0.00 0.00 61.69 59.32 3kqx s THR 105 Cb -0.10 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.23 3kqx s THR 105 CO 0.26 -0.26 2.21 -0.65 -0.54 0.00 0.00 174.62 175.64 3kqx h PRO 106 N 1.76 0.00 -0.68 3.99 0.11 -2.00 -2.07 132.00 133.10 3kqx h PRO 106 Ca -0.43 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.70 3kqx h PRO 106 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3kqx h PRO 106 CO 0.63 0.04 0.45 0.82 -0.21 0.00 0.00 178.00 179.73 3kqx h ILE 107 N 0.00 1.12 0.00 4.15 1.08 -1.94 -1.52 117.51 120.39 3kqx h ILE 107 Ca -0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3kqx h ILE 107 Cb 0.12 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 3kqx h ILE 107 CO 0.00 0.16 0.00 0.45 -0.69 0.00 0.00 178.15 178.07 3kqx h HIS 108 N 0.85 0.00 0.00 1.37 3.86 -1.77 -2.36 115.15 117.09 3kqx h HIS 108 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3kqx h HIS 108 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3kqx h HIS 108 CO -0.00 0.00 -0.51 -0.25 0.86 0.00 0.00 177.93 178.03 3kqx n ASP 109 N -2.55 0.51 -4.67 2.45 8.00 -0.57 -4.91 116.55 114.81 3kqx n ASP 109 Ca -0.00 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.91 3kqx n ASP 109 Cb 0.15 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3kqx n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqx s ILE 110 N -3.03 4.09 -0.16 0.53 1.01 -0.89 -4.85 121.20 117.91 3kqx s ILE 110 Ca 0.10 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 61.83 3kqx s ILE 110 Cb 0.17 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 3kqx s ILE 110 CO 0.70 -0.09 0.97 -0.54 0.00 0.00 0.00 174.94 175.98 3kqx s LYS 111 N 3.27 4.34 -0.13 2.79 1.02 -0.73 -4.92 119.74 125.39 3kqx s LYS 111 Ca 0.59 1.28 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 3kqx s LYS 111 Cb -0.25 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 3kqx s LYS 111 CO 0.20 -0.41 -0.05 0.08 -0.92 0.00 0.00 175.35 174.24 3kqx s VAL 112 N 2.38 3.77 -0.01 3.17 1.01 -1.26 -0.76 120.40 128.69 3kqx s VAL 112 Ca 0.44 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3kqx s VAL 112 Cb -0.17 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3kqx s VAL 112 CO 0.13 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 174.52 3kqx s GLN 113 N -0.01 1.16 -0.12 2.72 -0.21 -0.54 -4.99 119.66 117.68 3kqx s GLN 113 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 54.89 3kqx s GLN 113 Cb -0.13 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.75 3kqx s GLN 113 CO 0.03 0.30 -0.17 0.08 -2.12 0.00 0.00 175.29 173.40 3kqx s VAL 114 N -0.31 2.62 0.13 1.09 1.01 -1.26 -1.23 120.40 122.47 3kqx s VAL 114 Ca 0.05 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.32 3kqx s VAL 114 Cb -0.06 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3kqx s VAL 114 CO -0.00 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.09 3kqx s TYR 115 N 0.42 2.05 -0.02 5.22 1.51 0.56 -4.90 117.35 122.19 3kqx s TYR 115 Ca -0.13 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 3kqx s TYR 115 Cb -0.17 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 3kqx s TYR 115 CO 0.06 0.31 1.14 0.34 -1.11 0.00 0.00 175.55 176.29 3kqx s ASP 116 N -2.18 7.13 0.54 2.29 -1.08 -1.26 -1.70 116.67 120.41 3kqx s ASP 116 Ca 0.13 1.81 0.28 0.00 -0.52 0.00 0.00 52.55 54.24 3kqx s ASP 116 Cb -0.09 -2.57 1.56 0.00 -1.46 0.00 0.00 42.92 40.36 3kqx s ASP 116 CO 0.06 -0.48 2.12 -0.29 0.52 0.00 0.00 175.17 177.10 3kqx h ILE 117 N 4.85 0.55 0.00 4.11 2.10 -1.57 -2.56 117.51 124.99 3kqx h ILE 117 Ca -0.37 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.19 3kqx h ILE 117 Cb 1.18 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 3kqx h ILE 117 CO 0.84 0.08 0.00 0.11 -1.08 0.00 0.00 178.15 178.10 3kqx h LYS 118 N 0.00 0.00 -0.00 2.19 1.57 -1.91 -2.73 116.57 115.68 3kqx h LYS 118 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqx h LYS 118 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kqx h LYS 118 CO 0.01 0.00 -0.05 0.41 -0.57 0.00 0.00 179.45 179.25 3kqx n GLY 119 N -0.55 -1.00 0.01 3.86 0.00 -0.97 -5.06 105.19 101.48 3kqx n GLY 119 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3kqx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 120 N 1.22 -1.65 3.24 -0.02 0.00 -1.03 -5.01 105.19 101.93 3kqx n GLY 120 Ca 0.16 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3kqx n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqx s ASN 122 N -0.07 6.48 -0.10 0.00 3.84 -1.26 -1.75 114.94 122.07 3kqx s ASN 122 Ca -0.05 0.25 0.13 0.00 0.21 0.00 0.00 52.86 53.40 3kqx s ASN 122 Cb -0.14 -2.35 0.30 0.00 -0.55 0.00 0.00 41.25 38.52 3kqx s ASN 122 CO 0.04 -0.62 1.22 1.33 -2.79 0.00 0.00 177.10 176.28 3kqx n VAL 123 N 5.62 1.69 0.38 -5.21 0.24 -1.26 -4.82 118.33 114.97 3kqx n VAL 123 Ca 0.00 -1.70 0.13 0.00 -2.04 0.00 0.00 64.34 60.73 3kqx n VAL 123 Cb 0.48 0.02 0.52 0.00 -1.47 0.00 0.00 33.84 33.40 3kqx n VAL 123 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3kqx h GLU 124 N 0.84 0.00 -4.26 7.34 4.11 -1.92 -3.44 114.58 117.25 3kqx h GLU 124 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 3kqx h GLU 124 Cb 0.99 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.94 3kqx h GLU 124 CO 0.07 0.00 -0.76 -2.00 0.07 0.00 0.00 179.01 176.38 3kqx s GLU 125 N -3.38 0.55 3.08 1.06 2.12 -1.26 -4.92 118.70 115.95 3kqx s GLU 125 Ca 0.04 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.20 3kqx s GLU 125 Cb 0.09 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.93 3kqx s GLU 125 CO 0.46 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 3kqx n GLY 126 N 3.27 -0.04 3.67 -1.50 0.00 -1.26 -4.80 105.19 104.54 3kqx n GLY 126 Ca -0.17 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 3kqx n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqx s LEU 127 N 0.00 4.14 -0.18 0.99 2.96 -0.17 -2.23 118.68 124.20 3kqx s LEU 127 Ca 0.00 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3kqx s LEU 127 Cb 0.00 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 3kqx s LEU 127 CO 0.00 -0.06 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.96 3kqx s THR 128 N 1.30 2.89 -0.11 3.68 2.01 -0.11 -0.59 115.64 124.73 3kqx s THR 128 Ca 0.17 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3kqx s THR 128 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.12 3kqx s THR 128 CO 0.07 0.49 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.66 3kqx s ILE 129 N 1.02 1.83 -0.19 1.82 -1.09 -0.02 -0.57 121.20 124.01 3kqx s ILE 129 Ca -0.01 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 3kqx s ILE 129 Cb -0.15 -1.62 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 3kqx s ILE 129 CO -0.02 0.51 0.24 -0.36 -1.23 0.00 0.00 174.94 174.08 3kqx s PHE 130 N 0.63 3.42 -0.27 3.97 0.40 -0.46 -0.48 117.98 125.18 3kqx s PHE 130 Ca -0.13 0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 56.48 3kqx s PHE 130 Cb -0.16 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 3kqx s PHE 130 CO 0.04 0.21 0.56 -0.51 0.70 0.00 0.00 175.22 176.21 3kqx s LEU 131 N 0.60 4.09 -0.01 -0.37 1.43 0.51 -1.03 118.68 123.90 3kqx s LEU 131 Ca 0.13 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3kqx s LEU 131 Cb -0.13 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3kqx s LEU 131 CO 0.03 -0.35 -0.04 0.68 0.23 0.00 0.00 176.35 176.90 3kqx s VAL 132 N 2.40 0.38 0.28 -1.59 -7.23 -0.98 -1.48 120.40 112.18 3kqx s VAL 132 Ca 0.23 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.24 3kqx s VAL 132 Cb -0.15 -0.35 -0.00 0.00 0.56 0.00 0.00 36.38 36.44 3kqx s VAL 132 CO 0.10 0.13 0.03 -0.46 -0.31 0.00 0.00 175.10 174.58 3kqx n ASN 133 N 3.23 2.21 -3.31 4.85 0.23 -1.26 -0.09 115.26 121.11 3kqx n ASN 133 Ca -0.16 -2.31 -0.11 0.00 -0.53 0.00 0.00 54.58 51.46 3kqx n ASN 133 Cb 0.56 0.36 -0.06 0.00 -2.08 0.00 0.00 39.78 38.57 3kqx n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 134 N -2.60 0.37 0.18 0.53 3.84 -0.87 -4.77 114.94 111.62 3kqx s ASN 134 Ca 0.04 -1.27 -0.31 0.00 0.21 0.00 0.00 52.86 51.54 3kqx s ASN 134 Cb 0.00 0.99 -0.09 0.00 -0.55 0.00 0.00 41.25 41.60 3kqx s ASN 134 CO 0.03 -0.24 1.43 -2.84 -2.79 0.00 0.00 177.10 172.69 3kqx s PRO 135 N 1.63 4.29 0.00 0.43 0.02 -1.26 -2.46 135.00 137.65 3kqx s PRO 135 Ca 0.16 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3kqx s PRO 135 Cb -0.12 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3kqx s PRO 135 CO -0.06 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3kqx n GLY 136 N 2.94 2.84 3.32 0.52 0.00 -1.01 -4.94 105.19 108.87 3kqx n GLY 136 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 3kqx n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s LYS 137 N 0.00 3.55 0.11 1.61 -2.85 -1.03 -5.04 119.74 116.09 3kqx s LYS 137 Ca 0.00 -2.45 -0.34 0.00 -1.00 0.00 0.00 55.97 52.18 3kqx s LYS 137 Cb 0.00 -4.40 -0.13 0.00 -2.06 0.00 0.00 37.83 31.23 3kqx s LYS 137 CO 0.00 -1.29 1.64 0.39 0.10 0.00 0.00 175.35 176.19 3kqx n GLU 138 N 3.98 2.15 -3.18 1.78 4.71 -1.26 -0.44 120.64 128.37 3kqx n GLU 138 Ca 0.13 0.78 -0.19 0.00 -0.01 0.00 0.00 57.16 57.86 3kqx n GLU 138 Cb 0.46 -2.56 -0.01 0.00 -1.01 0.00 0.00 31.44 28.32 3kqx n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqx n ASN 139 N 4.08 -3.08 -4.40 1.62 5.03 -1.26 -4.95 115.26 112.31 3kqx n ASN 139 Ca 0.18 -0.23 -0.29 0.00 0.87 0.00 0.00 54.58 55.12 3kqx n ASN 139 Cb 0.29 -2.60 0.20 0.00 -1.02 0.00 0.00 39.78 36.65 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqx s GLY 140 N -2.54 1.57 0.68 7.41 0.00 0.42 -4.53 107.32 110.33 3kqx s GLY 140 Ca 0.31 -0.59 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 3kqx s GLY 140 CO 0.38 0.12 1.12 2.56 0.00 0.00 0.00 173.10 177.28 3kqx s PRO 141 N -5.13 2.67 0.11 2.90 0.04 -1.26 -1.81 135.00 132.52 3kqx s PRO 141 Ca 0.67 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 3kqx s PRO 141 Cb -0.15 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 3kqx s PRO 141 CO 0.57 -1.36 0.98 0.08 0.04 0.00 0.00 177.00 177.32 3kqx s VAL 142 N -2.34 4.43 -0.07 -0.36 1.01 -0.54 -4.65 120.40 117.88 3kqx s VAL 142 Ca 0.67 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.66 3kqx s VAL 142 Cb -0.21 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.91 3kqx s VAL 142 CO 0.43 0.30 -0.05 -0.75 0.00 0.00 0.00 175.10 175.03 3kqx s LYS 143 N 0.02 1.01 -0.21 2.72 2.20 -1.26 -3.43 119.74 120.78 3kqx s LYS 143 Ca 0.48 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.90 3kqx s LYS 143 Cb -0.24 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 3kqx s LYS 143 CO 0.30 -0.16 0.05 0.42 -0.36 0.00 0.00 175.35 175.61 3kqx s ILE 144 N 1.31 4.43 -0.12 5.43 -1.09 -1.26 -4.93 121.20 124.96 3kqx s ILE 144 Ca -0.04 -0.15 0.19 0.00 -2.23 0.00 0.00 60.65 58.42 3kqx s ILE 144 Cb -0.14 -3.03 -0.25 0.00 -1.58 0.00 0.00 42.46 37.47 3kqx s ILE 144 CO -0.02 0.40 0.41 -1.20 -1.23 0.00 0.00 174.94 173.30 3kqx n SER 145 N 4.27 0.22 -4.76 3.58 7.64 -1.26 -4.94 113.62 118.37 3kqx n SER 145 Ca -0.16 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 3kqx n SER 145 Cb 0.52 1.14 -0.01 0.00 -1.01 0.00 0.00 64.21 64.85 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kqx s SER 146 N -5.21 6.34 0.30 6.43 0.01 -1.26 -4.98 113.70 115.33 3kqx s SER 146 Ca -0.07 3.00 -0.28 0.00 1.31 0.00 0.00 55.95 59.90 3kqx s SER 146 Cb 0.10 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 3kqx s SER 146 CO 0.85 -0.92 1.06 -0.75 0.41 0.00 0.00 173.24 173.89 3kqx s LYS 147 N -0.97 4.58 0.12 12.44 2.20 -1.26 -4.93 119.74 131.92 3kqx s LYS 147 Ca 0.61 1.68 0.09 0.00 -0.36 0.00 0.00 55.97 57.99 3kqx s LYS 147 Cb -0.48 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3kqx s LYS 147 CO 0.53 0.19 -0.22 0.14 -0.36 0.00 0.00 175.35 175.63 3kqx s VAL 148 N -1.28 1.90 -0.34 4.02 -7.23 -1.26 -0.95 120.40 115.27 3kqx s VAL 148 Ca 0.47 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3kqx s VAL 148 Cb -0.29 -1.74 0.41 0.00 0.56 0.00 0.00 36.38 35.32 3kqx s VAL 148 CO 0.36 -0.07 1.72 -0.46 -0.31 0.00 0.00 175.10 176.35 3kqx n ASN 149 N 0.87 4.39 -3.72 4.85 2.04 -0.72 -4.82 115.26 118.15 3kqx n ASN 149 Ca -0.18 -3.14 -0.16 0.00 -0.44 0.00 0.00 54.58 50.67 3kqx n ASN 149 Cb 0.54 -0.80 -0.16 0.00 -2.53 0.00 0.00 39.78 36.83 3kqx n ASN 149 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3kqx s ASP 150 N -0.53 0.36 0.16 0.53 2.15 -1.26 -4.85 116.67 113.22 3kqx s ASP 150 Ca 0.39 0.18 -0.12 0.00 0.43 0.00 0.00 52.55 53.43 3kqx s ASP 150 Cb 0.32 0.06 0.05 0.00 -0.30 0.00 0.00 42.92 43.05 3kqx s ASP 150 CO 0.05 -0.18 1.67 0.07 -0.17 0.00 0.00 175.17 176.61 3kqx h LYS 151 N 7.71 0.88 -0.13 4.34 2.10 -1.98 0.63 116.57 130.11 3kqx h LYS 151 Ca -0.32 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 3kqx h LYS 151 Cb 1.13 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 3kqx h LYS 151 CO 0.34 0.83 0.05 1.96 -2.00 0.00 0.00 179.45 180.63 3kqx h GLN 152 N 0.78 0.20 -0.15 0.07 1.08 -1.92 -2.07 115.11 113.09 3kqx h GLN 152 Ca 0.17 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.19 3kqx h GLN 152 Cb 0.35 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3kqx h GLN 152 CO 0.00 0.30 -0.50 0.28 -0.95 0.00 0.00 178.83 177.97 3kqx h VAL 153 N 0.05 1.33 -0.61 -0.54 2.07 -1.87 -1.76 116.25 114.92 3kqx h VAL 153 Ca 0.04 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 65.87 3kqx h VAL 153 Cb 0.18 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3kqx h VAL 153 CO -0.00 0.53 0.35 -1.28 0.02 0.00 0.00 177.57 177.18 3kqx h SER 154 N 0.32 0.54 -0.21 0.57 0.87 -0.67 -0.56 113.55 114.42 3kqx h SER 154 Ca 0.01 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3kqx h SER 154 Cb 0.99 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3kqx h SER 154 CO 0.09 0.37 0.11 -0.08 -0.53 0.00 0.00 176.83 176.78 3kqx h GLU 155 N 0.67 0.29 -0.67 2.24 4.57 -0.89 -2.43 114.58 118.37 3kqx h GLU 155 Ca 0.26 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3kqx h GLU 155 Cb 0.11 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3kqx h GLU 155 CO -0.14 0.29 0.44 0.35 -1.18 0.00 0.00 179.01 178.77 3kqx h PHE 156 N 0.22 0.72 -0.10 0.92 3.57 -0.74 -2.28 116.94 119.24 3kqx h PHE 156 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kqx h PHE 156 Cb 0.09 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3kqx h PHE 156 CO -0.03 0.40 0.00 1.28 -2.23 0.00 0.00 178.31 177.72 3kqx n LEU 157 N -4.47 1.01 -4.74 0.59 4.77 -0.27 -4.57 117.00 109.33 3kqx n LEU 157 Ca 0.09 -0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 55.29 3kqx n LEU 157 Cb 0.19 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3kqx n LEU 157 CO 0.34 0.21 0.85 -1.59 -1.33 0.00 0.00 177.39 175.87 3kqx s LYS 158 N -1.88 2.55 0.28 3.23 -2.85 -0.86 -4.58 119.74 115.63 3kqx s LYS 158 Ca 0.31 1.90 0.01 0.00 -1.00 0.00 0.00 55.97 57.18 3kqx s LYS 158 Cb 0.16 -1.87 0.57 0.00 -2.06 0.00 0.00 37.83 34.63 3kqx s LYS 158 CO 0.25 -1.55 1.80 -0.44 0.10 0.00 0.00 175.35 175.50 3kqx h ASP 159 N 0.38 0.76 -0.73 0.03 3.32 -1.91 -0.51 116.42 117.76 3kqx h ASP 159 Ca -0.50 0.07 0.05 0.00 0.02 0.00 0.00 57.03 56.68 3kqx h ASP 159 Cb 1.31 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 3kqx h ASP 159 CO 0.53 0.36 0.48 -0.33 -1.72 0.00 0.00 179.24 178.55 3kqx h GLU 160 N 0.82 0.80 0.12 3.56 3.07 -1.96 -0.62 114.58 120.36 3kqx h GLU 160 Ca 0.49 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.36 59.06 3kqx h GLU 160 Cb 0.61 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3kqx h GLU 160 CO -0.32 0.53 -1.22 -0.97 -1.40 0.00 0.00 179.01 175.63 3kqx h ASN 161 N 0.82 0.40 0.64 1.42 -1.24 -1.56 -3.38 115.58 112.69 3kqx h ASN 161 Ca 0.31 -0.88 -0.06 0.00 0.71 0.00 0.00 56.30 56.38 3kqx h ASN 161 Cb 0.17 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 3kqx h ASN 161 CO -0.10 1.55 -0.30 0.24 -1.29 0.00 0.00 177.43 177.53 3kqx h MET 162 N -0.34 0.00 0.00 6.67 2.86 -0.86 -2.50 114.93 120.75 3kqx h MET 162 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3kqx h MET 162 Cb 1.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.38 3kqx h MET 162 CO 0.08 0.30 0.00 -0.85 1.06 0.00 0.00 176.91 177.51 3kqx n GLU 163 N -3.66 0.31 0.15 1.72 0.28 -0.26 -1.38 120.64 117.80 3kqx n GLU 163 Ca -0.01 0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.22 3kqx n GLU 163 Cb 0.42 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.29 3kqx n GLU 163 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3kqx h LYS 164 N 0.00 0.00 -6.30 3.44 1.57 -1.66 -3.44 116.57 110.18 3kqx h LYS 164 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3kqx h LYS 164 Cb 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 3kqx h LYS 164 CO 0.00 0.00 -0.67 -0.06 -0.57 0.00 0.00 179.45 178.15 3kqx s PHE 165 N -3.34 2.71 0.28 -1.35 2.99 -0.48 -5.06 117.98 113.72 3kqx s PHE 165 Ca 0.05 -0.20 0.06 0.00 0.00 0.00 0.00 56.93 56.84 3kqx s PHE 165 Cb 0.10 -1.26 -0.06 0.00 0.00 0.00 0.00 43.02 41.80 3kqx s PHE 165 CO 0.45 0.57 -0.06 0.54 -0.00 0.00 0.00 175.22 176.72 3kqx s ASN 166 N -3.27 2.71 0.00 1.36 2.20 -1.26 -1.47 114.94 115.22 3kqx s ASN 166 Ca 0.29 -1.19 0.16 0.00 -0.94 0.00 0.00 52.86 51.18 3kqx s ASN 166 Cb -0.08 -0.16 0.47 0.00 -2.00 0.00 0.00 41.25 39.49 3kqx s ASN 166 CO 0.18 -0.35 1.38 1.33 -2.94 0.00 0.00 177.10 176.71 3kqx n VAL 167 N -0.57 0.52 -1.68 3.54 0.24 -0.75 -4.69 118.33 114.94 3kqx n VAL 167 Ca -0.05 -0.57 -0.45 0.00 -2.04 0.00 0.00 64.34 61.23 3kqx n VAL 167 Cb 0.63 0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 3kqx n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqx n LYS 168 N 0.78 2.18 -1.67 7.34 4.81 -1.26 -0.07 118.16 130.27 3kqx n LYS 168 Ca 0.16 0.78 -0.55 0.00 -0.87 0.00 0.00 58.31 57.83 3kqx n LYS 168 Cb 0.39 -2.49 -0.07 0.00 0.02 0.00 0.00 35.03 32.88 3kqx n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqx n LEU 169 N 2.53 2.23 0.00 3.14 7.94 -1.26 -1.03 117.00 130.56 3kqx n LEU 169 Ca 0.13 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3kqx n LEU 169 Cb 0.32 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.09 3kqx n LEU 169 CO 0.63 -0.59 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 3kqx n GLY 170 N 3.69 1.89 3.76 -3.96 0.00 -0.18 -4.97 105.19 105.41 3kqx n GLY 170 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s THR 171 N -2.50 2.93 0.04 2.61 2.01 -0.19 -4.75 115.64 115.78 3kqx s THR 171 Ca 0.00 0.88 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 3kqx s THR 171 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 3kqx s THR 171 CO 0.00 0.19 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.14 3kqx s SER 172 N -0.31 0.44 0.01 3.53 1.04 -1.26 -0.45 113.70 116.70 3kqx s SER 172 Ca 0.51 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 3kqx s SER 172 Cb -0.38 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 3kqx s SER 172 CO 0.47 -0.40 -0.00 -0.54 0.98 0.00 0.00 173.24 173.75 3kqx s LYS 173 N -2.44 0.25 -0.06 4.02 -0.14 -1.17 -5.02 119.74 115.20 3kqx s LYS 173 Ca -0.06 -0.43 -0.15 0.00 -1.36 0.00 0.00 55.97 53.97 3kqx s LYS 173 Cb -0.03 0.09 0.03 0.00 -1.68 0.00 0.00 37.83 36.24 3kqx s LYS 173 CO -0.04 -0.04 0.34 -3.38 -0.76 0.00 0.00 175.35 171.47 3kqx s HIS 174 N -1.09 -0.27 -0.02 3.18 -3.43 -1.26 -1.66 115.29 110.74 3kqx s HIS 174 Ca -0.12 0.54 0.03 0.00 -0.80 0.00 0.00 55.06 54.71 3kqx s HIS 174 Cb -0.07 0.12 -0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3kqx s HIS 174 CO -0.01 -0.33 -0.12 -0.06 -2.00 0.00 0.00 174.74 172.22 3kqx s PHE 175 N -0.81 1.14 0.07 0.38 0.40 -0.36 -4.94 117.98 113.86 3kqx s PHE 175 Ca -0.09 -0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 55.73 3kqx s PHE 175 Cb -0.04 -0.76 -0.06 0.00 0.51 0.00 0.00 43.02 42.67 3kqx s PHE 175 CO 0.03 -0.07 0.77 0.71 0.70 0.00 0.00 175.22 177.37 3kqx s TYR 176 N -0.08 3.77 0.23 0.36 1.51 -1.26 -0.60 117.35 121.28 3kqx s TYR 176 Ca 0.01 1.52 -0.09 0.00 -1.01 0.00 0.00 57.07 57.49 3kqx s TYR 176 Cb -0.07 -2.82 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 3kqx s TYR 176 CO 0.00 0.32 0.37 0.00 -1.11 0.00 0.00 175.55 175.14 3kqx s MET 177 N -0.28 1.43 -0.13 -0.62 0.23 -0.31 -4.99 119.30 114.63 3kqx s MET 177 Ca 0.38 -1.35 -0.16 0.00 -1.03 0.00 0.00 55.69 53.53 3kqx s MET 177 Cb -0.21 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 3kqx s MET 177 CO 0.24 -0.56 0.41 -0.06 -2.03 0.00 0.00 175.02 173.01 3kqx s PHE 178 N -4.05 3.50 0.87 3.16 0.08 -1.26 -0.51 117.98 119.78 3kqx s PHE 178 Ca 0.27 0.78 -0.15 0.00 0.12 0.00 0.00 56.93 57.95 3kqx s PHE 178 Cb 0.02 -2.46 0.21 0.00 -0.57 0.00 0.00 43.02 40.21 3kqx s PHE 178 CO 0.09 0.22 1.02 0.27 -0.10 0.00 0.00 175.22 176.72 3kqx n ASN 179 N 3.55 -0.62 -0.17 1.36 0.23 -0.27 -4.83 115.26 114.53 3kqx n ASN 179 Ca -0.09 -1.27 0.29 0.00 -0.53 0.00 0.00 54.58 52.97 3kqx n ASN 179 Cb 0.52 -0.83 0.72 0.00 -2.08 0.00 0.00 39.78 38.11 3kqx n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqx h ASP 180 N -1.78 0.00 -0.57 0.53 3.32 -1.95 -0.98 116.42 114.99 3kqx h ASP 180 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kqx h ASP 180 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3kqx h ASP 180 CO 0.24 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.35 3kqx n ASN 181 N -4.13 3.43 0.00 6.45 3.02 -1.26 -4.94 115.26 117.83 3kqx n ASN 181 Ca 0.18 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3kqx n ASN 181 Cb 0.98 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3kqx n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqx n LYS 182 N 1.12 -0.41 -2.18 3.52 4.01 -0.37 -5.02 118.16 118.83 3kqx n LYS 182 Ca 0.20 0.10 -0.32 0.00 -0.51 0.00 0.00 58.31 57.79 3kqx n LYS 182 Cb 0.58 -3.48 -0.01 0.00 -0.51 0.00 0.00 35.03 31.61 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kqx s ASN 183 N -2.26 6.38 -0.04 4.39 0.02 -1.26 -4.73 114.94 117.45 3kqx s ASN 183 Ca 0.00 1.55 -0.26 0.00 -1.02 0.00 0.00 52.86 53.14 3kqx s ASN 183 Cb 0.00 -2.50 -0.03 0.00 0.02 0.00 0.00 41.25 38.74 3kqx s ASN 183 CO 0.00 -0.76 0.80 -0.94 0.02 0.00 0.00 177.10 176.22 3kqx s SER 184 N -3.38 7.12 0.35 -1.22 1.04 -1.26 -1.11 113.70 115.24 3kqx s SER 184 Ca 0.58 1.35 0.03 0.00 0.48 0.00 0.00 55.95 58.40 3kqx s SER 184 Cb -0.11 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3kqx s SER 184 CO 0.39 -0.17 0.10 0.68 0.98 0.00 0.00 173.24 175.22 3kqx s VAL 185 N 0.87 0.81 0.01 5.02 -7.23 0.34 -4.42 120.40 115.79 3kqx s VAL 185 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3kqx s VAL 185 Cb -0.19 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 3kqx s VAL 185 CO 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 174.99 3kqx s ALA 186 N -3.34 0.14 -0.00 1.32 0.00 -0.95 -1.17 121.76 117.76 3kqx s ALA 186 Ca 0.31 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3kqx s ALA 186 Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kqx s ALA 186 CO 0.15 -0.01 -0.03 0.08 0.00 0.00 0.00 175.76 175.95 3kqx s VAL 187 N -0.40 0.20 0.00 0.00 1.01 0.23 -0.93 120.40 120.51 3kqx s VAL 187 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3kqx s VAL 187 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.17 3kqx s VAL 187 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3kqx n GLY 188 N 3.03 2.11 3.44 4.51 0.00 0.26 -1.22 105.19 117.32 3kqx n GLY 188 Ca -0.13 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3kqx n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqx s TYR 189 N -1.50 -0.17 -0.07 1.61 1.13 -0.66 -1.35 117.35 116.32 3kqx s TYR 189 Ca 0.00 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.54 3kqx s TYR 189 Cb 0.00 0.36 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 3kqx s TYR 189 CO 0.00 -0.84 -0.16 0.08 -2.51 0.00 0.00 175.55 172.12 3kqx s VAL 190 N -3.84 1.42 0.09 -3.49 1.01 -0.20 -3.02 120.40 112.37 3kqx s VAL 190 Ca 0.07 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 3kqx s VAL 190 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 3kqx s VAL 190 CO -0.07 0.42 1.32 -0.83 0.00 0.00 0.00 175.10 175.94 3kqx s GLY 191 N 0.48 2.12 -0.10 4.51 0.00 0.40 -2.31 107.32 112.42 3kqx s GLY 191 Ca -0.14 1.00 0.13 0.00 0.00 0.00 0.00 44.72 45.71 3kqx s GLY 191 CO 0.05 2.25 1.31 0.00 0.00 0.00 0.00 173.10 176.71 3kqx n GLY 193 N -0.21 -0.82 0.08 0.00 0.00 0.89 -4.49 105.19 100.64 3kqx n GLY 193 Ca 0.16 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3kqx n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 194 N 0.11 1.91 -4.26 1.61 3.41 -1.26 -2.04 113.62 113.10 3kqx n SER 194 Ca 0.00 -2.51 -0.33 0.00 -0.26 0.00 0.00 58.87 55.77 3kqx n SER 194 Cb 0.00 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 3kqx n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqx s VAL 195 N -1.84 2.65 0.40 -3.33 1.01 -1.26 -2.40 120.40 115.63 3kqx s VAL 195 Ca 0.17 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3kqx s VAL 195 Cb 0.15 -2.11 0.22 0.00 0.00 0.00 0.00 36.38 34.63 3kqx s VAL 195 CO 0.02 0.52 2.00 0.00 0.00 0.00 0.00 175.10 177.63 3kqx h ALA 196 N 7.27 1.62 -1.99 5.51 0.00 -1.92 -3.38 119.26 126.37 3kqx h ALA 196 Ca -0.32 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 3kqx h ALA 196 Cb 1.19 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 3kqx h ALA 196 CO 0.57 0.29 0.34 -0.51 0.00 0.00 0.00 179.25 179.93 3kqx s ASP 197 N -6.80 6.34 -0.05 0.00 1.11 -1.26 -4.61 116.67 111.40 3kqx s ASP 197 Ca -0.07 -0.39 -0.23 0.00 0.18 0.00 0.00 52.55 52.04 3kqx s ASP 197 Cb 0.16 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 3kqx s ASP 197 CO 0.73 -1.00 0.70 -0.76 1.18 0.00 0.00 175.17 176.01 3kqx s LEU 198 N 3.33 4.34 0.69 1.23 2.01 -1.26 -5.07 118.68 123.94 3kqx s LEU 198 Ca 0.26 1.22 -0.10 0.00 0.01 0.00 0.00 54.13 55.52 3kqx s LEU 198 Cb -0.14 -3.09 0.02 0.00 0.01 0.00 0.00 46.19 42.99 3kqx s LEU 198 CO 0.19 -0.08 1.06 -0.94 1.01 0.00 0.00 176.35 177.59 3kqx s SER 199 N 0.60 5.40 0.23 2.29 1.04 -1.26 -4.90 113.70 117.10 3kqx s SER 199 Ca 0.37 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.74 3kqx s SER 199 Cb -0.18 -1.81 0.40 0.00 0.10 0.00 0.00 66.02 64.53 3kqx s SER 199 CO 0.19 -1.33 1.73 -0.08 0.98 0.00 0.00 173.24 174.73 3kqx h GLU 200 N -0.58 0.43 -0.48 4.02 4.22 -1.97 0.26 114.58 120.47 3kqx h GLU 200 Ca -0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 58.95 3kqx h GLU 200 Cb 1.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3kqx h GLU 200 CO 0.63 0.28 0.23 0.00 -2.18 0.00 0.00 179.01 177.97 3kqx h ALA 201 N 1.51 0.62 -0.63 2.92 0.00 -1.95 -1.29 119.26 120.45 3kqx h ALA 201 Ca 0.38 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3kqx h ALA 201 Cb 0.54 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3kqx h ALA 201 CO -0.37 0.19 0.31 -0.44 0.00 0.00 0.00 179.25 178.94 3kqx h ASP 202 N 0.64 0.43 -0.34 0.00 3.32 -1.79 -2.42 116.42 116.25 3kqx h ASP 202 Ca 0.17 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3kqx h ASP 202 Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3kqx h ASP 202 CO -0.02 0.27 -0.28 -0.03 -1.72 0.00 0.00 179.24 177.46 3kqx h MET 203 N 0.57 0.86 -0.56 3.56 4.05 -0.66 -2.20 114.93 120.56 3kqx h MET 203 Ca 0.29 -0.39 0.11 0.00 -0.28 0.00 0.00 59.70 59.43 3kqx h MET 203 Cb 0.25 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 30.95 3kqx h MET 203 CO -0.22 1.03 0.07 0.87 0.23 0.00 0.00 176.91 178.90 3kqx h LYS 204 N 0.73 0.19 -0.89 0.39 6.56 -1.04 -0.70 116.57 121.81 3kqx h LYS 204 Ca 0.08 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 3kqx h LYS 204 Cb 0.84 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.41 3kqx h LYS 204 CO 0.07 0.12 0.53 0.00 -2.06 0.00 0.00 179.45 178.12 3kqx h ARG 205 N 0.19 1.22 -0.47 3.15 3.08 -0.93 0.25 114.38 120.87 3kqx h ARG 205 Ca 0.29 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3kqx h ARG 205 Cb 0.43 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3kqx h ARG 205 CO -0.41 0.86 0.26 0.28 -1.07 0.00 0.00 179.97 179.88 3kqx h VAL 206 N 1.24 1.16 -0.39 2.04 2.07 -0.88 -2.24 116.25 119.26 3kqx h VAL 206 Ca 0.32 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3kqx h VAL 206 Cb -0.04 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3kqx h VAL 206 CO -0.06 0.17 -0.14 0.58 0.02 0.00 0.00 177.57 178.15 3kqx h VAL 207 N 0.61 1.28 -0.95 2.57 2.07 -0.61 -1.11 116.25 120.12 3kqx h VAL 207 Ca 0.16 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3kqx h VAL 207 Cb 0.05 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3kqx h VAL 207 CO -0.03 0.41 0.61 -0.07 0.02 0.00 0.00 177.57 178.52 3kqx h LEU 208 N 0.58 0.99 -0.50 2.57 4.07 -0.88 0.44 115.31 122.57 3kqx h LEU 208 Ca 0.09 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 3kqx h LEU 208 Cb 0.67 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3kqx h LEU 208 CO 0.05 0.64 0.04 -1.28 -1.08 0.00 0.00 178.44 176.81 3kqx h SER 209 N 1.13 0.83 -0.64 -0.43 0.87 -0.91 -1.38 113.55 113.03 3kqx h SER 209 Ca 0.40 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3kqx h SER 209 Cb 0.12 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3kqx h SER 209 CO -0.16 0.91 0.22 0.25 -0.53 0.00 0.00 176.83 177.52 3kqx h LEU 210 N 0.73 0.91 -1.11 2.23 5.85 -0.32 -2.92 115.31 120.67 3kqx h LEU 210 Ca 0.15 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3kqx h LEU 210 Cb 0.46 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3kqx h LEU 210 CO 0.02 0.86 0.24 0.58 -0.34 0.00 0.00 178.44 179.80 3kqx h VAL 211 N 0.91 1.21 -0.87 1.05 2.07 0.13 -1.86 116.25 118.89 3kqx h VAL 211 Ca 0.21 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3kqx h VAL 211 Cb 0.26 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3kqx h VAL 211 CO -0.01 0.26 0.56 0.74 0.02 0.00 0.00 177.57 179.15 3kqx h THR 212 N 0.86 0.99 -0.30 2.57 2.02 -1.07 0.71 112.91 118.70 3kqx h THR 212 Ca 0.20 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 3kqx h THR 212 Cb 0.16 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3kqx h THR 212 CO -0.02 0.16 -0.35 0.24 0.37 0.00 0.00 175.52 175.92 3kqx h MET 213 N 0.89 0.77 -0.65 6.66 2.07 -1.33 -3.22 114.93 120.12 3kqx h MET 213 Ca 0.39 -0.43 -0.08 0.00 -2.07 0.00 0.00 59.70 57.51 3kqx h MET 213 Cb 0.35 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 3kqx h MET 213 CO -0.16 1.05 0.08 -0.07 1.07 0.00 0.00 176.91 178.89 3kqx h LEU 214 N 0.53 1.05 0.00 1.22 3.38 -0.51 -2.11 115.31 118.86 3kqx h LEU 214 Ca 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kqx h LEU 214 Cb 0.94 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kqx h LEU 214 CO 0.08 1.05 0.00 1.41 0.09 0.00 0.00 178.44 181.08 3kqx n HIS 215 N -4.20 0.00 -0.61 1.13 8.25 0.15 -1.53 115.22 118.41 3kqx n HIS 215 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.57 3kqx n HIS 215 Cb 0.30 -0.48 0.17 0.00 1.12 0.00 0.00 29.99 31.11 3kqx n HIS 215 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kqx n ASP 216 N -1.48 3.11 -4.44 0.41 -0.08 -0.81 -4.26 116.55 109.00 3kqx n ASP 216 Ca 0.02 -2.56 -0.31 0.00 -1.51 0.00 0.00 54.79 50.43 3kqx n ASP 216 Cb 0.10 -0.35 -0.13 0.00 2.34 0.00 0.00 41.12 43.08 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3kqx s ASN 217 N -1.64 3.75 0.00 1.67 2.47 -0.58 -4.83 114.94 115.79 3kqx s ASN 217 Ca 0.29 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.19 3kqx s ASN 217 Cb 0.22 -0.63 0.00 0.00 -1.45 0.00 0.00 41.25 39.39 3kqx s ASN 217 CO 0.09 0.29 0.73 0.29 -3.72 0.00 0.00 177.10 174.78 3kqx n LYS 218 N 1.84 1.45 -2.32 0.43 5.02 -1.26 -2.36 118.16 120.97 3kqx n LYS 218 Ca -0.16 -1.00 -0.35 0.00 -2.02 0.00 0.00 58.31 54.78 3kqx n LYS 218 Cb 0.52 -0.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.69 3kqx n LYS 218 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kqx s LEU 219 N -0.53 3.77 0.05 -0.35 1.43 -1.26 -4.80 118.68 116.98 3kqx s LEU 219 Ca 0.00 2.13 0.26 0.00 -1.03 0.00 0.00 54.13 55.49 3kqx s LEU 219 Cb 0.00 -4.57 0.74 0.00 0.03 0.00 0.00 46.19 42.39 3kqx s LEU 219 CO 0.00 -1.12 1.60 -0.24 0.23 0.00 0.00 176.35 176.81 3kqx n SER 220 N -1.22 0.42 -3.96 2.29 2.88 -1.26 -4.59 113.62 108.17 3kqx n SER 220 Ca 0.11 0.15 -0.18 0.00 -1.33 0.00 0.00 58.87 57.63 3kqx n SER 220 Cb 0.51 -0.12 -0.15 0.00 -0.75 0.00 0.00 64.21 63.70 3kqx n SER 220 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3kqx s LYS 221 N -3.04 0.60 -0.10 -1.46 2.20 -1.26 -0.63 119.74 116.05 3kqx s LYS 221 Ca 0.11 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 3kqx s LYS 221 Cb 0.17 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.88 3kqx s LYS 221 CO 0.64 0.09 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.43 3kqx s LEU 222 N 0.08 2.82 -0.11 5.43 2.96 -0.57 -1.00 118.68 128.28 3kqx s LEU 222 Ca -0.01 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3kqx s LEU 222 Cb -0.05 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 3kqx s LEU 222 CO -0.00 0.25 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.18 3kqx s THR 223 N -0.14 2.37 -0.16 3.68 2.01 0.25 -0.57 115.64 123.07 3kqx s THR 223 Ca -0.00 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 3kqx s THR 223 Cb -0.13 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 3kqx s THR 223 CO 0.03 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 3kqx s VAL 224 N 0.41 2.70 -0.34 3.82 1.01 0.61 -0.84 120.40 127.77 3kqx s VAL 224 Ca -0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3kqx s VAL 224 Cb -0.17 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.10 3kqx s VAL 224 CO 0.07 0.51 0.11 -0.69 0.00 0.00 0.00 175.10 175.10 3kqx s VAL 225 N 0.86 3.89 -0.92 2.92 1.01 0.37 -1.15 120.40 127.37 3kqx s VAL 225 Ca -0.04 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 3kqx s VAL 225 Cb -0.15 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.14 3kqx s VAL 225 CO -0.01 -0.15 1.25 -0.36 0.00 0.00 0.00 175.10 175.84 3kqx s PHE 226 N 1.43 2.76 -0.42 5.22 0.40 -0.38 -0.36 117.98 126.63 3kqx s PHE 226 Ca -0.01 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 3kqx s PHE 226 Cb -0.19 -4.48 0.33 0.00 0.51 0.00 0.00 43.02 39.18 3kqx s PHE 226 CO 0.03 -1.74 1.96 0.39 0.70 0.00 0.00 175.22 176.56 3kqx n GLU 227 N 7.87 2.08 -4.08 0.44 1.02 -0.55 -4.71 120.64 122.71 3kqx n GLU 227 Ca 0.23 -2.17 -0.10 0.00 -0.02 0.00 0.00 57.16 55.10 3kqx n GLU 227 Cb 0.49 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 3kqx n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqx s ILE 228 N -3.06 0.05 -0.22 -3.67 -4.36 -1.25 -4.43 121.20 104.26 3kqx s ILE 228 Ca 0.43 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3kqx s ILE 228 Cb 0.34 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 3kqx s ILE 228 CO 0.01 -0.23 0.04 0.20 0.24 0.00 0.00 174.94 175.21 3kqx s ASN 229 N -3.05 5.12 0.00 4.36 -0.87 -1.26 -4.95 114.94 114.30 3kqx s ASN 229 Ca 0.26 -0.15 0.02 0.00 -1.57 0.00 0.00 52.86 51.42 3kqx s ASN 229 Cb 0.05 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 3kqx s ASN 229 CO 0.05 0.04 -0.07 0.68 -2.57 0.00 0.00 177.10 175.23 3kqx s VAL 230 N 1.15 0.54 0.84 1.60 -7.23 -1.26 -4.70 120.40 111.35 3kqx s VAL 230 Ca 0.04 -0.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 3kqx s VAL 230 Cb -0.14 -0.47 0.10 0.00 0.56 0.00 0.00 36.38 36.42 3kqx s VAL 230 CO 0.03 0.09 1.14 1.51 -0.31 0.00 0.00 175.10 177.56 3kqx s ASP 231 N -0.32 4.14 0.20 4.85 3.84 -1.26 -4.77 116.67 123.34 3kqx s ASP 231 Ca 0.01 0.97 -0.13 0.00 -0.00 0.00 0.00 52.55 53.41 3kqx s ASP 231 Cb -0.03 -1.57 0.22 0.00 -1.38 0.00 0.00 42.92 40.16 3kqx s ASP 231 CO -0.00 -2.16 1.66 0.11 -0.00 0.00 0.00 175.17 174.78 3kqx h LYS 232 N -1.23 0.07 -0.66 2.11 1.57 -1.99 0.22 116.57 116.67 3kqx h LYS 232 Ca -0.48 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 3kqx h LYS 232 Cb 1.31 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 3kqx h LYS 232 CO 0.63 0.05 0.28 -0.91 -0.57 0.00 0.00 179.45 178.93 3kqx h ASN 233 N 0.07 0.89 -0.59 0.86 2.35 -1.93 -0.95 115.58 116.29 3kqx h ASN 233 Ca 0.28 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3kqx h ASN 233 Cb 0.43 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3kqx h ASN 233 CO -0.50 0.81 0.14 0.25 -1.65 0.00 0.00 177.43 176.48 3kqx h LEU 234 N 0.92 0.90 -0.25 1.61 5.85 -1.76 -0.61 115.31 121.97 3kqx h LEU 234 Ca 0.22 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kqx h LEU 234 Cb 0.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3kqx h LEU 234 CO -0.02 0.91 0.17 0.15 -0.34 0.00 0.00 178.44 179.30 3kqx h PHE 235 N 0.86 0.32 -0.88 1.25 3.57 -0.84 0.15 116.94 121.37 3kqx h PHE 235 Ca 0.18 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 3kqx h PHE 235 Cb 0.36 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3kqx h PHE 235 CO 0.03 0.20 0.57 -0.09 -2.23 0.00 0.00 178.31 176.79 3kqx h ARG 236 N 0.34 0.94 -0.47 1.11 2.43 -0.89 -1.93 114.38 115.92 3kqx h ARG 236 Ca 0.09 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3kqx h ARG 236 Cb -0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3kqx h ARG 236 CO -0.02 0.62 -0.21 0.35 -1.51 0.00 0.00 179.97 179.20 3kqx h PHE 237 N 0.97 1.08 -0.24 2.20 3.57 -0.29 -0.77 116.94 123.46 3kqx h PHE 237 Ca 0.39 -0.26 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3kqx h PHE 237 Cb 0.25 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3kqx h PHE 237 CO -0.00 1.06 -0.09 0.35 -2.23 0.00 0.00 178.31 177.40 3kqx h PHE 238 N 0.82 -0.21 -0.00 0.41 3.57 -0.05 -0.32 116.94 121.15 3kqx h PHE 238 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kqx h PHE 238 Cb 0.77 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3kqx h PHE 238 CO 0.05 -0.15 0.00 -0.07 -2.23 0.00 0.00 178.31 175.91 3kqx h LEU 239 N -0.05 0.00 -1.01 0.59 3.38 -1.01 0.98 115.31 118.19 3kqx h LEU 239 Ca 0.13 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 239 Cb 0.24 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3kqx h LEU 239 CO -0.28 0.16 0.65 -0.33 0.09 0.00 0.00 178.44 178.73 3kqx h GLU 240 N -0.16 1.09 -0.17 1.13 5.08 -1.03 -0.17 114.58 120.34 3kqx h GLU 240 Ca 0.00 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 3kqx h GLU 240 Cb 0.16 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3kqx h GLU 240 CO -0.00 0.72 -0.48 1.15 -1.00 0.00 0.00 179.01 179.40 3kqx h THR 241 N 1.12 1.33 -0.49 1.13 2.02 -0.81 -1.11 112.91 116.09 3kqx h THR 241 Ca 0.46 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 3kqx h THR 241 Cb 0.28 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 3kqx h THR 241 CO -0.21 0.54 0.28 0.25 0.37 0.00 0.00 175.52 176.75 3kqx h LEU 242 N 0.30 0.60 -0.02 2.58 5.85 -0.51 -0.72 115.31 123.39 3kqx h LEU 242 Ca -0.01 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kqx h LEU 242 Cb 1.10 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3kqx h LEU 242 CO 0.10 0.50 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.44 3kqx h PHE 243 N 0.65 0.04 -0.42 1.25 0.04 -0.84 -0.63 116.94 117.04 3kqx h PHE 243 Ca 0.17 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.96 3kqx h PHE 243 Cb 0.02 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3kqx h PHE 243 CO -0.02 0.39 0.22 -0.92 -0.60 0.00 0.00 178.31 177.37 3kqx h TYR 244 N -0.31 0.40 0.00 -0.55 3.20 -1.16 -1.58 116.97 116.97 3kqx h TYR 244 Ca 0.01 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 3kqx h TYR 244 Cb 0.37 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3kqx h TYR 244 CO 0.05 0.21 -0.83 0.93 -1.64 0.00 0.00 178.16 176.89 3kqx h GLU 245 N 0.44 0.02 -0.19 1.82 4.39 -1.10 -3.26 114.58 116.69 3kqx h GLU 245 Ca 0.18 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 3kqx h GLU 245 Cb 0.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kqx h GLU 245 CO -0.11 0.83 -0.43 -0.92 -1.16 0.00 0.00 179.01 177.22 3kqx h TYR 246 N 0.01 0.81 -2.39 4.33 3.20 -0.91 -3.43 116.97 118.58 3kqx h TYR 246 Ca -0.01 -0.30 -0.55 0.00 3.14 0.00 0.00 58.73 61.00 3kqx h TYR 246 Cb 1.46 -0.15 0.04 0.00 1.54 0.00 0.00 36.73 39.62 3kqx h TYR 246 CO 0.00 1.07 1.05 -0.12 -1.64 0.00 0.00 178.16 178.53 3kqx n MET 247 N -4.22 2.59 -4.75 1.82 1.56 -0.61 -5.02 117.12 108.50 3kqx n MET 247 Ca -0.06 0.94 -0.31 0.00 -0.27 0.00 0.00 57.70 58.00 3kqx n MET 247 Cb 0.56 -2.81 -0.13 0.00 2.15 0.00 0.00 33.22 32.99 3kqx n MET 247 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kqx s THR 248 N 2.59 2.78 -0.51 1.12 -4.23 -1.26 -4.95 115.64 111.18 3kqx s THR 248 Ca 0.83 -1.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.04 3kqx s THR 248 Cb -0.55 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3kqx s THR 248 CO 0.39 0.40 0.65 -0.62 -0.54 0.00 0.00 174.62 174.90 3kqx s ASP 249 N -1.26 6.23 -0.04 3.99 -1.08 -1.26 -4.88 116.67 118.37 3kqx s ASP 249 Ca 0.14 -0.86 0.11 0.00 -0.52 0.00 0.00 52.55 51.42 3kqx s ASP 249 Cb -0.10 -2.30 0.30 0.00 -1.46 0.00 0.00 42.92 39.36 3kqx s ASP 249 CO 0.04 -0.92 1.24 1.21 0.52 0.00 0.00 175.17 177.27 3kqx n GLU 250 N 6.27 2.84 -0.18 4.34 4.07 -1.26 -4.71 120.64 132.01 3kqx n GLU 250 Ca -0.06 -2.14 0.22 0.00 -0.06 0.00 0.00 57.16 55.12 3kqx n GLU 250 Cb 0.46 -1.35 0.61 0.00 -0.06 0.00 0.00 31.44 31.09 3kqx n GLU 250 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kqx h ARG 251 N 1.59 0.20 -0.45 5.31 3.08 -1.99 -2.44 114.38 119.69 3kqx h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kqx h ARG 251 Cb 0.85 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3kqx h ARG 251 CO 0.04 0.14 0.00 1.19 -1.07 0.00 0.00 179.97 180.27 3kqx n PHE 252 N -4.41 0.60 -3.43 3.04 3.01 -1.26 -4.95 117.46 110.06 3kqx n PHE 252 Ca 0.17 -0.48 -0.35 0.00 1.01 0.00 0.00 57.45 57.81 3kqx n PHE 252 Cb 0.76 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 40.15 3kqx n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqx s LYS 253 N -1.01 3.90 -0.30 -1.08 -0.14 -0.92 -5.28 119.74 114.92 3kqx s LYS 253 Ca 0.31 0.38 0.11 0.00 -1.36 0.00 0.00 55.97 55.41 3kqx s LYS 253 Cb 0.16 -2.94 0.74 0.00 -1.68 0.00 0.00 37.83 34.11 3kqx s LYS 253 CO 0.21 0.50 1.77 -1.13 -0.76 0.00 0.00 175.35 175.94 3kqx n SER 254 N 0.80 4.89 0.00 2.83 3.41 -1.26 -5.07 113.62 119.22 3kqx n SER 254 Ca -0.06 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 3kqx n SER 254 Cb 0.52 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3kqx n SER 254 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqx n ASN 260 N -0.07 0.00 -4.04 4.04 0.23 -1.26 -5.23 115.26 108.93 3kqx n ASN 260 Ca 0.37 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.32 3kqx n ASN 260 Cb 1.32 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.94 3kqx n ASN 260 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kqx s MET 261 N 0.00 1.34 0.02 -3.83 0.00 -1.26 -3.93 119.30 111.64 3kqx s MET 261 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 55.69 54.38 3kqx s MET 261 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 34.83 35.20 3kqx s MET 261 CO 0.00 -0.51 -0.06 -1.21 0.00 0.00 0.00 175.02 173.24 3kqx s GLU 262 N -4.04 0.45 0.02 3.16 2.02 -0.99 -4.95 118.70 114.35 3kqx s GLU 262 Ca 0.25 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 3kqx s GLU 262 Cb 0.03 -0.28 -0.07 0.00 0.10 0.00 0.00 34.13 33.91 3kqx s GLU 262 CO 0.07 0.06 1.56 0.71 0.02 0.00 0.00 175.26 177.68 3kqx s TYR 263 N -0.88 2.48 0.70 1.61 2.02 -1.26 -4.61 117.35 117.41 3kqx s TYR 263 Ca -0.06 0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 56.95 3kqx s TYR 263 Cb -0.07 -3.84 -0.02 0.00 -0.40 0.00 0.00 41.96 37.63 3kqx s TYR 263 CO 0.00 -3.35 0.81 0.44 -1.57 0.00 0.00 175.55 171.89 3kqx n ILE 264 N 4.88 2.62 0.53 2.71 -5.35 -1.26 -4.95 119.36 118.54 3kqx n ILE 264 Ca 0.15 -0.40 0.09 0.00 -0.27 0.00 0.00 62.75 62.32 3kqx n ILE 264 Cb 0.42 -0.98 -0.12 0.00 -1.74 0.00 0.00 39.64 37.22 3kqx n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqx n LYS 265 N -1.32 0.75 -3.84 6.28 4.76 0.20 -4.66 118.16 120.34 3kqx n LYS 265 Ca 0.12 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 3kqx n LYS 265 Cb 0.49 -1.41 -0.13 0.00 -1.84 0.00 0.00 35.03 32.14 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqx s HIS 266 N -2.98 -0.09 -0.20 2.13 3.76 -1.08 -1.77 115.29 115.06 3kqx s HIS 266 Ca 0.02 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 3kqx s HIS 266 Cb 0.13 0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.88 3kqx s HIS 266 CO 0.78 -0.05 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.34 3kqx s LEU 267 N 0.13 2.38 -0.13 0.89 2.96 0.06 -1.52 118.68 123.46 3kqx s LEU 267 Ca -0.01 -0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 52.90 3kqx s LEU 267 Cb -0.02 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3kqx s LEU 267 CO -0.00 -0.15 0.14 -0.83 -1.32 0.00 0.00 176.35 174.19 3kqx s GLY 268 N 1.37 2.14 -0.06 7.98 0.00 0.26 -1.46 107.32 117.55 3kqx s GLY 268 Ca -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3kqx s GLY 268 CO -0.08 -0.34 -0.15 0.14 0.00 0.00 0.00 173.10 172.68 3kqx s VAL 269 N -0.90 1.31 -0.22 1.40 1.01 -0.36 -0.29 120.40 122.35 3kqx s VAL 269 Ca 0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3kqx s VAL 269 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3kqx s VAL 269 CO 0.03 0.39 -0.01 -0.31 0.00 0.00 0.00 175.10 175.21 3kqx s TYR 270 N 0.44 3.00 0.01 5.22 1.51 -0.30 -0.32 117.35 126.91 3kqx s TYR 270 Ca -0.12 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.04 3kqx s TYR 270 Cb -0.15 -2.13 0.03 0.00 -0.11 0.00 0.00 41.96 39.60 3kqx s TYR 270 CO 0.04 -0.45 0.38 -1.50 -1.11 0.00 0.00 175.55 172.91 3kqx s ILE 271 N 1.43 0.05 0.33 2.71 2.07 -0.69 -1.25 121.20 125.86 3kqx s ILE 271 Ca 0.05 -0.45 -0.27 0.00 -1.41 0.00 0.00 60.65 58.56 3kqx s ILE 271 Cb -0.15 -0.82 -0.09 0.00 0.13 0.00 0.00 42.46 41.53 3kqx s ILE 271 CO -0.01 -0.25 1.12 0.21 -1.91 0.00 0.00 174.94 174.11 3kqx s ASN 272 N -1.66 6.96 -1.45 4.50 2.47 -1.26 -1.53 114.94 122.97 3kqx s ASN 272 Ca -0.09 2.27 -0.09 0.00 0.42 0.00 0.00 52.86 55.38 3kqx s ASN 272 Cb -0.02 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.19 3kqx s ASN 272 CO 0.01 -0.36 0.92 0.59 -3.72 0.00 0.00 177.10 174.54 3kqx n ASN 273 N 0.66 -5.85 -0.30 -4.21 5.03 -1.26 -4.92 115.26 104.41 3kqx n ASN 273 Ca 0.01 -0.49 0.22 0.00 0.87 0.00 0.00 54.58 55.19 3kqx n ASN 273 Cb 0.46 -4.67 0.41 0.00 -1.02 0.00 0.00 39.78 34.97 3kqx n ASN 273 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kqx n ALA 274 N -4.39 0.72 -0.06 5.41 0.00 -1.18 -1.60 120.51 119.42 3kqx n ALA 274 Ca -0.02 0.94 0.03 0.00 0.00 0.00 0.00 53.44 54.39 3kqx n ALA 274 Cb 0.57 -0.82 0.38 0.00 0.00 0.00 0.00 19.45 19.58 3kqx n ALA 274 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kqx h ASP 275 N 0.00 0.57 1.89 0.00 3.32 -1.91 -1.35 116.42 118.95 3kqx h ASP 275 Ca 0.67 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.70 3kqx h ASP 275 Cb 1.63 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3kqx h ASP 275 CO -0.76 0.41 0.00 0.71 -1.72 0.00 0.00 179.24 177.88 3kqx h THR 276 N 0.68 0.00 0.00 0.35 1.35 -1.69 -3.30 112.91 110.30 3kqx h THR 276 Ca 0.19 -0.93 -0.09 0.00 -0.55 0.00 0.00 66.41 65.03 3kqx h THR 276 Cb -0.06 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3kqx h THR 276 CO -0.04 0.00 -0.58 1.88 -0.25 0.00 0.00 175.52 176.53 3kqx h TYR 277 N 0.00 0.00 -0.81 4.73 0.05 -1.29 -3.38 116.97 116.27 3kqx h TYR 277 Ca 0.00 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 3kqx h TYR 277 Cb 0.95 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.60 3kqx h TYR 277 CO 0.00 0.39 0.43 0.87 -1.05 0.00 0.00 178.16 178.80 3kqx h LYS 278 N 0.00 0.65 0.00 4.88 1.57 -1.55 -0.58 116.57 121.54 3kqx h LYS 278 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kqx h LYS 278 Cb 1.32 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3kqx h LYS 278 CO 0.05 0.43 0.00 1.05 -0.57 0.00 0.00 179.45 180.41 3kqx h GLU 279 N 0.67 0.00 0.00 3.15 4.11 -1.80 -2.58 114.58 118.12 3kqx h GLU 279 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3kqx h GLU 279 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kqx h GLU 279 CO -0.31 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.70 3kqx h GLU 280 N 0.00 0.00 0.78 1.06 4.39 -1.37 -3.37 114.58 116.07 3kqx h GLU 280 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kqx h GLU 280 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3kqx h GLU 280 CO 0.00 0.00 -0.38 0.28 -1.16 0.00 0.00 179.01 177.75 3kqx h VAL 281 N 0.00 0.13 0.00 3.13 2.07 -1.57 -0.13 116.25 119.87 3kqx h VAL 281 Ca 0.00 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3kqx h VAL 281 Cb 0.89 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kqx h VAL 281 CO 0.00 0.01 -0.36 -0.33 0.02 0.00 0.00 177.57 176.91 3kqx h GLU 282 N -1.19 0.00 -0.20 1.57 4.39 -1.79 -1.89 114.58 115.47 3kqx h GLU 282 Ca -0.11 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3kqx h GLU 282 Cb 0.82 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3kqx h GLU 282 CO 0.18 0.36 0.10 -0.22 -1.16 0.00 0.00 179.01 178.26 3kqx h LYS 283 N 0.00 0.20 -0.94 2.33 3.64 -1.70 -2.38 116.57 117.72 3kqx h LYS 283 Ca -0.00 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3kqx h LYS 283 Cb 0.72 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 3kqx h LYS 283 CO 0.05 0.13 0.59 0.00 -2.27 0.00 0.00 179.45 177.95 3kqx h ALA 284 N 1.10 1.33 -0.36 5.00 0.00 -0.35 -0.50 119.26 125.48 3kqx h ALA 284 Ca 0.08 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kqx h ALA 284 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kqx h ALA 284 CO -0.06 0.32 -0.11 -0.09 0.00 0.00 0.00 179.25 179.31 3kqx h ARG 285 N 1.04 0.61 0.01 0.00 2.43 -1.19 0.26 114.38 117.54 3kqx h ARG 285 Ca 0.42 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3kqx h ARG 285 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3kqx h ARG 285 CO -0.20 0.71 -0.01 0.28 -1.51 0.00 0.00 179.97 179.25 3kqx h VAL 286 N 0.56 1.30 -0.99 0.20 2.07 -0.68 -2.34 116.25 116.38 3kqx h VAL 286 Ca 0.10 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3kqx h VAL 286 Cb 0.52 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3kqx h VAL 286 CO 0.03 0.24 0.65 1.88 0.02 0.00 0.00 177.57 180.39 3kqx h TYR 287 N -0.43 1.22 -0.38 1.57 -1.99 -1.03 -1.10 116.97 114.85 3kqx h TYR 287 Ca -0.00 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.81 3kqx h TYR 287 Cb 0.41 -0.41 -0.05 0.00 2.00 0.00 0.00 36.73 38.69 3kqx h TYR 287 CO 0.07 0.73 0.10 -0.92 -0.00 0.00 0.00 178.16 178.14 3kqx h TYR 288 N 1.28 0.18 -0.27 4.88 3.20 -0.43 -1.89 116.97 123.92 3kqx h TYR 288 Ca 0.38 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.08 3kqx h TYR 288 Cb -0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3kqx h TYR 288 CO -0.00 0.05 -0.58 0.35 -1.64 0.00 0.00 178.16 176.34 3kqx h PHE 289 N 0.24 1.08 -0.83 -3.82 3.57 -0.82 0.12 116.94 116.47 3kqx h PHE 289 Ca 0.18 -0.40 0.21 0.00 3.53 0.00 0.00 57.97 61.49 3kqx h PHE 289 Cb 0.18 -0.20 -0.13 0.00 2.79 0.00 0.00 35.95 38.59 3kqx h PHE 289 CO -0.17 1.22 0.18 0.78 -2.23 0.00 0.00 178.31 178.10 3kqx h GLY 290 N 0.70 1.20 0.68 2.40 0.00 -1.10 0.32 103.07 107.27 3kqx h GLY 290 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 3kqx h GLY 290 CO 0.13 -0.32 -0.69 -0.84 0.00 0.00 0.00 176.54 174.82 3kqx h THR 291 N 0.21 1.50 -0.74 4.70 2.02 -0.91 -2.01 112.91 117.68 3kqx h THR 291 Ca 0.50 -2.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 3kqx h THR 291 Cb 0.95 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 70.33 3kqx h THR 291 CO -0.63 0.67 0.36 0.22 0.37 0.00 0.00 175.52 176.51 3kqx h TYR 292 N -0.31 1.05 -0.09 3.16 3.20 -0.54 -0.18 116.97 123.26 3kqx h TYR 292 Ca -0.11 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3kqx h TYR 292 Cb 1.49 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 3kqx h TYR 292 CO 0.18 0.77 0.04 -0.92 -1.64 0.00 0.00 178.16 176.59 3kqx h TYR 293 N 1.05 0.13 -0.62 -3.82 3.20 -0.35 0.10 116.97 116.67 3kqx h TYR 293 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3kqx h TYR 293 Cb 0.11 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3kqx h TYR 293 CO 0.01 0.20 0.35 0.00 -1.64 0.00 0.00 178.16 177.09 3kqx h ALA 294 N 0.91 0.81 -0.90 1.82 0.00 -1.21 -1.67 119.26 119.02 3kqx h ALA 294 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kqx h ALA 294 Cb 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3kqx h ALA 294 CO -0.00 0.05 0.57 1.03 0.00 0.00 0.00 179.25 180.89 3kqx h SER 295 N 0.67 0.90 -0.85 0.00 0.87 -0.76 -1.34 113.55 113.04 3kqx h SER 295 Ca 0.27 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3kqx h SER 295 Cb 0.12 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3kqx h SER 295 CO -0.15 0.58 0.56 1.56 -0.53 0.00 0.00 176.83 178.85 3kqx h GLN 296 N 1.03 1.11 -0.14 2.24 4.20 0.13 -0.47 115.11 123.21 3kqx h GLN 296 Ca 0.39 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 3kqx h GLN 296 Cb 0.16 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kqx h GLN 296 CO -0.17 0.73 0.05 -0.07 -0.67 0.00 0.00 178.83 178.71 3kqx h LEU 297 N 1.14 0.20 -0.12 1.46 3.38 -0.98 -1.89 115.31 118.50 3kqx h LEU 297 Ca 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kqx h LEU 297 Cb -0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kqx h LEU 297 CO -0.07 0.32 0.05 0.40 0.09 0.00 0.00 178.44 179.23 3kqx h ILE 298 N 0.06 1.12 0.00 1.22 2.04 -1.08 -2.86 117.51 118.02 3kqx h ILE 298 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3kqx h ILE 298 Cb 0.19 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3kqx h ILE 298 CO -0.00 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3kqx h ALA 299 N 0.92 1.00 -2.44 1.87 0.00 -1.10 -3.42 119.26 116.10 3kqx h ALA 299 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 3kqx h ALA 299 Cb 0.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kqx h ALA 299 CO -0.00 0.00 1.05 0.00 0.00 0.00 0.00 179.25 180.30 3kqx s ALA 300 N -3.53 3.69 0.89 0.00 0.00 -0.71 -4.94 121.76 117.16 3kqx s ALA 300 Ca 0.03 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3kqx s ALA 300 Cb 0.09 -3.73 0.13 0.00 0.00 0.00 0.00 23.12 19.61 3kqx s ALA 300 CO 0.54 -1.19 1.11 -2.14 0.00 0.00 0.00 175.76 174.08 3kqx s PRO 301 N 2.91 1.25 0.54 0.00 0.02 -1.26 -4.55 135.00 133.91 3kqx s PRO 301 Ca 0.77 1.25 0.33 0.00 0.02 0.00 0.00 61.00 63.36 3kqx s PRO 301 Cb -0.41 -1.78 1.33 0.00 0.02 0.00 0.00 34.50 33.66 3kqx s PRO 301 CO 0.34 -2.37 1.97 0.77 -0.33 0.00 0.00 177.00 177.38 3kqx h SER 302 N -1.66 0.00 1.07 2.53 0.02 -1.82 0.46 113.55 114.14 3kqx h SER 302 Ca -0.46 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 3kqx h SER 302 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3kqx h SER 302 CO 0.47 0.01 -0.37 -0.55 -1.14 0.00 0.00 176.83 175.26 3kqx h ASN 303 N 0.00 0.00 0.07 3.07 -1.07 -1.94 -3.31 115.58 112.40 3kqx h ASN 303 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 3kqx h ASN 303 Cb 0.53 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.78 3kqx h ASN 303 CO 0.00 0.37 -0.99 1.88 0.07 0.00 0.00 177.43 178.76 3kqx h TYR 304 N 0.00 0.27 -3.36 4.14 0.05 -1.35 -3.40 116.97 113.32 3kqx h TYR 304 Ca -0.00 -0.19 -0.72 0.00 0.05 0.00 0.00 58.73 57.86 3kqx h TYR 304 Cb 1.00 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 38.44 3kqx h TYR 304 CO 0.00 1.39 -0.43 0.00 -1.05 0.00 0.00 178.16 178.07 3kqx s ASN 306 N 2.44 1.91 0.49 0.00 2.20 -1.26 -4.34 114.94 116.38 3kqx s ASN 306 Ca 0.05 -1.52 0.17 0.00 -0.94 0.00 0.00 52.86 50.62 3kqx s ASN 306 Cb -0.25 0.29 1.21 0.00 -2.00 0.00 0.00 41.25 40.50 3kqx s ASN 306 CO -0.00 -0.82 2.06 -0.65 -2.94 0.00 0.00 177.10 174.75 3kqx h PRO 307 N 2.13 0.15 0.01 3.55 0.11 -1.87 0.67 132.00 136.74 3kqx h PRO 307 Ca -0.36 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kqx h PRO 307 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kqx h PRO 307 CO 0.58 0.10 -0.00 0.28 -0.21 0.00 0.00 178.00 178.74 3kqx h VAL 308 N 0.15 1.61 -0.08 3.15 2.07 -1.95 -2.63 116.25 118.57 3kqx h VAL 308 Ca 0.15 -1.99 -0.07 0.00 0.82 0.00 0.00 66.70 65.61 3kqx h VAL 308 Cb 0.40 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 3kqx h VAL 308 CO -0.02 0.51 -0.25 0.77 0.02 0.00 0.00 177.57 178.59 3kqx h SER 309 N -0.88 0.14 -0.15 0.57 4.64 -1.76 -1.16 113.55 114.95 3kqx h SER 309 Ca -0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3kqx h SER 309 Cb 0.84 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3kqx h SER 309 CO 0.00 0.40 -0.17 0.25 -0.87 0.00 0.00 176.83 176.44 3kqx h LEU 310 N 0.13 0.40 -0.99 5.97 5.85 -0.96 -0.87 115.31 124.84 3kqx h LEU 310 Ca 0.02 -0.50 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 3kqx h LEU 310 Cb 0.53 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3kqx h LEU 310 CO 0.04 0.82 -0.27 0.77 -0.34 0.00 0.00 178.44 179.45 3kqx h SER 311 N -0.00 0.40 -0.84 1.25 4.64 -1.36 -1.11 113.55 116.52 3kqx h SER 311 Ca 0.02 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3kqx h SER 311 Cb 0.71 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 3kqx h SER 311 CO 0.04 0.67 0.50 0.78 -0.87 0.00 0.00 176.83 177.96 3kqx h ASN 312 N 0.35 1.02 -0.60 4.97 2.35 -1.08 -1.79 115.58 120.80 3kqx h ASN 312 Ca 0.05 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3kqx h ASN 312 Cb 0.67 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3kqx h ASN 312 CO 0.05 0.79 0.12 0.00 -1.65 0.00 0.00 177.43 176.74 3kqx h ALA 313 N 1.27 0.80 -0.90 -0.83 0.00 -0.58 -2.08 119.26 116.93 3kqx h ALA 313 Ca 0.30 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kqx h ALA 313 Cb -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3kqx h ALA 313 CO -0.06 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.31 3kqx h ALA 314 N 1.03 1.21 -0.33 0.00 0.00 -0.86 -0.26 119.26 120.04 3kqx h ALA 314 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kqx h ALA 314 Cb 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kqx h ALA 314 CO 0.01 0.42 0.10 0.28 0.00 0.00 0.00 179.25 180.05 3kqx h VAL 315 N 1.11 1.21 -0.48 0.00 2.07 -1.12 0.07 116.25 119.10 3kqx h VAL 315 Ca 0.37 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3kqx h VAL 315 Cb 0.05 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3kqx h VAL 315 CO -0.13 0.23 0.21 -0.08 0.02 0.00 0.00 177.57 177.82 3kqx h GLU 316 N 0.38 0.41 -0.17 1.57 4.81 -0.86 0.84 114.58 121.55 3kqx h GLU 316 Ca 0.11 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kqx h GLU 316 Cb 0.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3kqx h GLU 316 CO -0.00 0.27 0.07 1.25 -0.73 0.00 0.00 179.01 179.86 3kqx h LEU 317 N 0.42 0.08 -0.73 1.64 5.85 -0.98 -1.58 115.31 120.01 3kqx h LEU 317 Ca 0.22 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3kqx h LEU 317 Cb 0.17 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3kqx h LEU 317 CO -0.19 0.07 0.41 0.00 -0.34 0.00 0.00 178.44 178.40 3kqx h ALA 318 N 1.10 1.00 -0.94 1.25 0.00 -0.49 -1.87 119.26 119.32 3kqx h ALA 318 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kqx h ALA 318 Cb 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kqx h ALA 318 CO -0.07 0.09 0.58 1.96 0.00 0.00 0.00 179.25 181.81 3kqx h GLN 319 N 0.74 1.27 -0.20 0.00 4.20 -0.65 0.21 115.11 120.68 3kqx h GLN 319 Ca 0.34 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 3kqx h GLN 319 Cb 0.24 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3kqx h GLN 319 CO -0.20 0.87 -0.35 0.87 -0.67 0.00 0.00 178.83 179.35 3kqx h LYS 320 N 1.29 0.43 -0.01 1.46 1.57 -0.68 -2.90 116.57 117.73 3kqx h LYS 320 Ca 0.34 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kqx h LYS 320 Cb -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kqx h LYS 320 CO -0.07 0.73 -0.24 1.28 -0.57 0.00 0.00 179.45 180.58 3kqx n LEU 321 N -4.06 1.56 -3.69 2.94 4.77 -0.76 -4.96 117.00 112.80 3kqx n LEU 321 Ca -0.01 -0.50 -0.23 0.00 -0.03 0.00 0.00 56.01 55.23 3kqx n LEU 321 Cb 0.47 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3kqx n LEU 321 CO 0.43 0.28 0.06 0.59 -1.33 0.00 0.00 177.39 177.42 3kqx n ASN 322 N -0.14 -3.08 -4.90 -1.43 3.02 0.48 -4.97 115.26 104.24 3kqx n ASN 322 Ca 0.13 -0.73 -0.29 0.00 -0.03 0.00 0.00 54.58 53.66 3kqx n ASN 322 Cb 0.40 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.16 3kqx n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqx s LEU 323 N -6.87 4.08 0.56 3.41 1.43 0.20 -5.02 118.68 116.47 3kqx s LEU 323 Ca 0.26 0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 3kqx s LEU 323 Cb -0.13 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3kqx s LEU 323 CO 0.79 -0.17 1.13 -1.61 0.23 0.00 0.00 176.35 176.72 3kqx s GLU 324 N -3.42 3.25 -0.09 1.70 8.01 -0.68 -4.60 118.70 122.88 3kqx s GLU 324 Ca 0.44 1.59 -0.22 0.00 0.01 0.00 0.00 54.97 56.79 3kqx s GLU 324 Cb -0.11 -1.99 0.05 0.00 -4.31 0.00 0.00 34.13 27.77 3kqx s GLU 324 CO 0.29 -0.93 0.52 1.52 0.01 0.00 0.00 175.26 176.67 3kqx s TYR 325 N -1.85 -0.49 -0.10 1.61 -0.85 -1.26 -1.05 117.35 113.37 3kqx s TYR 325 Ca 0.72 0.96 -0.05 0.00 -0.52 0.00 0.00 57.07 58.18 3kqx s TYR 325 Cb -0.24 0.25 0.04 0.00 0.38 0.00 0.00 41.96 42.39 3kqx s TYR 325 CO 0.29 -0.44 0.22 0.21 -1.52 0.00 0.00 175.55 174.31 3kqx s LYS 326 N -0.78 0.17 -0.23 -3.49 2.20 -0.16 -5.01 119.74 112.45 3kqx s LYS 326 Ca -0.08 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.96 3kqx s LYS 326 Cb -0.03 -0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.13 3kqx s LYS 326 CO 0.05 -0.17 0.03 0.42 -0.36 0.00 0.00 175.35 175.32 3kqx s ILE 327 N 1.26 4.02 -0.07 5.43 -1.09 -1.26 -1.59 121.20 127.90 3kqx s ILE 327 Ca -0.09 -0.28 -0.20 0.00 -2.23 0.00 0.00 60.65 57.85 3kqx s ILE 327 Cb -0.11 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 3kqx s ILE 327 CO -0.08 0.38 0.57 -0.76 -1.23 0.00 0.00 174.94 173.82 3kqx s LEU 328 N 1.43 4.33 0.00 2.97 1.43 0.62 -4.88 118.68 124.59 3kqx s LEU 328 Ca 0.05 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.24 3kqx s LEU 328 Cb -0.15 -2.85 0.08 0.00 0.03 0.00 0.00 46.19 43.30 3kqx s LEU 328 CO 0.02 0.01 0.64 0.61 0.23 0.00 0.00 176.35 177.85 3kqx n GLY 329 N 2.95 1.97 0.18 -3.19 0.00 -1.26 -0.87 105.19 104.97 3kqx n GLY 329 Ca -0.06 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 3kqx n GLY 329 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kqx h VAL 330 N 0.09 0.92 -0.83 1.61 -1.51 -1.96 -0.20 116.25 114.36 3kqx h VAL 330 Ca -0.22 -0.13 0.02 0.00 -1.23 0.00 0.00 66.70 65.15 3kqx h VAL 330 Cb 1.00 0.52 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 3kqx h VAL 330 CO 0.31 0.07 0.54 0.50 -1.23 0.00 0.00 177.57 177.76 3kqx h LYS 331 N 0.37 1.05 -0.44 5.19 3.64 -1.96 0.19 116.57 124.61 3kqx h LYS 331 Ca 0.19 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 3kqx h LYS 331 Cb 0.13 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3kqx h LYS 331 CO -0.16 0.69 -0.13 0.93 -2.27 0.00 0.00 179.45 178.52 3kqx h GLU 332 N 1.08 0.82 -0.28 1.90 5.08 -1.76 -2.16 114.58 119.26 3kqx h GLU 332 Ca 0.32 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3kqx h GLU 332 Cb -0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3kqx h GLU 332 CO -0.10 0.90 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.45 3kqx h LEU 333 N 0.73 0.58 -0.47 1.33 3.38 -0.43 -1.45 115.31 118.99 3kqx h LEU 333 Ca 0.12 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3kqx h LEU 333 Cb 0.63 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kqx h LEU 333 CO 0.04 0.85 0.07 -0.33 0.09 0.00 0.00 178.44 179.16 3kqx h GLU 334 N 0.49 0.77 -0.41 1.13 5.08 -0.51 -2.11 114.58 119.02 3kqx h GLU 334 Ca 0.06 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kqx h GLU 334 Cb 0.76 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3kqx h GLU 334 CO 0.06 0.79 0.25 0.93 -1.00 0.00 0.00 179.01 180.04 3kqx h GLU 335 N 0.64 0.55 -0.01 2.33 5.08 -1.12 -1.68 114.58 120.37 3kqx h GLU 335 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kqx h GLU 335 Cb 0.39 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kqx h GLU 335 CO 0.01 0.38 -0.05 1.28 -1.00 0.00 0.00 179.01 179.63 3kqx n LEU 336 N -4.46 0.72 -2.20 1.33 4.77 -0.57 -4.92 117.00 111.68 3kqx n LEU 336 Ca 0.03 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.67 3kqx n LEU 336 Cb 0.07 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3kqx n LEU 336 CO 0.36 0.13 -0.01 0.29 -1.33 0.00 0.00 177.39 176.82 3kqx n LYS 337 N -0.57 -3.41 -2.20 3.23 4.76 -0.63 -4.70 118.16 114.64 3kqx n LYS 337 Ca 0.18 0.66 -0.42 0.00 -2.87 0.00 0.00 58.31 55.86 3kqx n LYS 337 Cb 0.26 -4.99 0.00 0.00 -1.84 0.00 0.00 35.03 28.46 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqx n MET 338 N -3.07 3.30 0.13 1.97 2.81 -0.87 -2.58 117.12 118.82 3kqx n MET 338 Ca -0.09 -3.21 -0.01 0.00 -1.81 0.00 0.00 57.70 52.58 3kqx n MET 338 Cb 0.59 -3.10 0.20 0.00 -0.71 0.00 0.00 33.22 30.19 3kqx n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqx h GLY 339 N 9.12 0.05 0.16 3.03 0.00 -1.77 -1.13 103.07 112.53 3kqx h GLY 339 Ca 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3kqx h GLY 339 CO 1.67 0.06 -0.03 0.00 0.00 0.00 0.00 176.54 178.24 3kqx h ALA 340 N 1.39 0.00 -0.42 3.60 0.00 -1.84 -2.19 119.26 119.81 3kqx h ALA 340 Ca -0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.51 3kqx h ALA 340 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3kqx h ALA 340 CO 0.08 -0.05 0.18 -0.92 0.00 0.00 0.00 179.25 178.53 3kqx h TYR 341 N -0.83 0.32 -0.28 0.00 3.20 -1.64 -3.09 116.97 114.64 3kqx h TYR 341 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3kqx h TYR 341 Cb 0.89 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3kqx h TYR 341 CO 0.23 0.15 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.75 3kqx h LEU 342 N 0.36 0.43 -0.89 2.82 3.38 -1.24 -3.01 115.31 117.16 3kqx h LEU 342 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kqx h LEU 342 Cb 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3kqx h LEU 342 CO -0.16 0.55 0.54 0.28 0.09 0.00 0.00 178.44 179.74 3kqx h SER 343 N 0.43 1.06 -0.91 -0.43 0.02 -1.31 -2.61 113.55 109.79 3kqx h SER 343 Ca 0.09 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3kqx h SER 343 Cb 0.39 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3kqx h SER 343 CO 0.02 0.81 0.59 0.58 -1.14 0.00 0.00 176.83 177.69 3kqx h VAL 344 N 1.22 1.18 0.00 2.27 2.07 -1.49 -2.79 116.25 118.71 3kqx h VAL 344 Ca 0.32 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kqx h VAL 344 Cb -0.06 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.61 3kqx h VAL 344 CO -0.06 0.21 -0.00 0.61 0.02 0.00 0.00 177.57 178.35 3kqx n GLY 345 N -1.35 -1.59 0.31 2.17 0.00 -1.11 -4.31 105.19 99.31 3kqx n GLY 345 Ca 0.11 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3kqx n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqx h LYS 346 N 0.00 0.62 -0.01 1.61 1.57 -1.18 -1.97 116.57 117.22 3kqx h LYS 346 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kqx h LYS 346 Cb 0.61 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kqx h LYS 346 CO 0.00 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.70 3kqx n GLY 347 N -1.32 -0.93 3.88 3.86 0.00 -1.24 -4.49 105.19 104.95 3kqx n GLY 347 Ca 0.17 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kqx n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqx s SER 348 N -1.73 6.56 0.13 1.61 0.15 -0.74 -4.58 113.70 115.11 3kqx s SER 348 Ca 0.35 0.73 0.26 0.00 0.70 0.00 0.00 55.95 58.00 3kqx s SER 348 Cb 0.16 -2.15 0.96 0.00 -1.71 0.00 0.00 66.02 63.28 3kqx s SER 348 CO 0.27 0.03 1.81 1.15 1.20 0.00 0.00 173.24 177.69 3kqx n MET 349 N 0.14 0.16 -3.62 5.44 0.00 -1.26 -4.74 117.12 113.23 3kqx n MET 349 Ca -0.02 0.16 -0.36 0.00 0.00 0.00 0.00 57.70 57.48 3kqx n MET 349 Cb 0.52 -1.70 -0.08 0.00 0.00 0.00 0.00 33.22 31.96 3kqx n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqx s TYR 350 N -3.08 3.40 0.51 3.17 1.51 -1.26 -4.90 117.35 116.70 3kqx s TYR 350 Ca 0.11 0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 56.36 3kqx s TYR 350 Cb 0.14 -2.28 -0.06 0.00 -0.11 0.00 0.00 41.96 39.66 3kqx s TYR 350 CO 0.54 0.20 1.28 -2.14 -1.11 0.00 0.00 175.55 174.32 3kqx s PRO 351 N 0.64 3.39 0.44 -1.71 0.02 -1.26 -4.83 135.00 131.69 3kqx s PRO 351 Ca 0.12 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 3kqx s PRO 351 Cb -0.12 -2.32 -0.08 0.00 0.02 0.00 0.00 34.50 31.99 3kqx s PRO 351 CO 0.02 -0.93 1.42 -0.80 -0.33 0.00 0.00 177.00 176.38 3kqx s ASN 352 N -1.11 5.92 -0.08 2.53 -0.87 -1.26 -4.53 114.94 115.53 3kqx s ASN 352 Ca 0.68 2.92 -0.01 0.00 -1.57 0.00 0.00 52.86 54.88 3kqx s ASN 352 Cb -0.36 -2.65 0.03 0.00 -0.02 0.00 0.00 41.25 38.25 3kqx s ASN 352 CO 0.43 -1.15 -0.03 -0.54 -2.57 0.00 0.00 177.10 173.24 3kqx s LYS 353 N -2.42 0.94 -0.30 -0.60 -0.14 -1.02 -4.10 119.74 112.09 3kqx s LYS 353 Ca 0.60 -0.03 -0.12 0.00 -1.36 0.00 0.00 55.97 55.06 3kqx s LYS 353 Cb -0.44 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 3kqx s LYS 353 CO 0.56 -0.28 0.24 0.12 -0.76 0.00 0.00 175.35 175.23 3kqx s PHE 354 N 1.84 3.22 -0.13 3.18 2.19 -0.05 -1.93 117.98 126.31 3kqx s PHE 354 Ca 0.04 0.03 -0.21 0.00 0.33 0.00 0.00 56.93 57.12 3kqx s PHE 354 Cb -0.12 -2.45 -0.03 0.00 -1.31 0.00 0.00 43.02 39.10 3kqx s PHE 354 CO -0.06 -0.25 0.62 0.42 1.83 0.00 0.00 175.22 177.78 3kqx s ILE 355 N 1.80 5.07 -0.29 3.12 1.01 0.47 -0.27 121.20 132.10 3kqx s ILE 355 Ca 0.08 1.22 -0.03 0.00 0.00 0.00 0.00 60.65 61.92 3kqx s ILE 355 Cb -0.16 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.46 3kqx s ILE 355 CO 0.11 0.22 0.12 -2.28 0.00 0.00 0.00 174.94 173.10 3kqx s HIS 356 N 1.16 0.79 0.04 3.97 2.46 -0.62 -1.30 115.29 121.79 3kqx s HIS 356 Ca 0.31 -1.15 0.01 0.00 0.47 0.00 0.00 55.06 54.71 3kqx s HIS 356 Cb -0.16 -1.17 -0.04 0.00 -0.13 0.00 0.00 32.58 31.08 3kqx s HIS 356 CO 0.13 -0.83 0.10 -0.51 -2.47 0.00 0.00 174.74 171.16 3kqx s LEU 357 N 1.94 3.94 -0.05 8.88 1.43 -0.13 -0.99 118.68 133.69 3kqx s LEU 357 Ca 0.09 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3kqx s LEU 357 Cb -0.16 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.59 3kqx s LEU 357 CO -0.32 0.21 -0.06 -0.89 0.23 0.00 0.00 176.35 175.52 3kqx s THR 358 N -1.33 0.69 -0.17 5.49 2.01 -0.22 0.04 115.64 122.14 3kqx s THR 358 Ca 0.28 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 3kqx s THR 358 Cb -0.12 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 3kqx s THR 358 CO 0.20 0.26 0.10 -0.47 -0.69 0.00 0.00 174.62 174.02 3kqx s TYR 359 N 0.88 3.37 -0.09 4.92 5.04 -0.30 -1.68 117.35 129.50 3kqx s TYR 359 Ca -0.12 0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3kqx s TYR 359 Cb -0.15 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.11 3kqx s TYR 359 CO 0.01 0.33 -0.05 0.21 -1.34 0.00 0.00 175.55 174.71 3kqx s LYS 360 N 0.07 1.13 0.73 4.97 2.20 -1.26 -0.79 119.74 126.79 3kqx s LYS 360 Ca 0.08 -0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 55.41 3kqx s LYS 360 Cb -0.12 -1.28 0.02 0.00 -1.51 0.00 0.00 37.83 34.95 3kqx s LYS 360 CO -0.00 -0.24 1.11 0.43 -0.36 0.00 0.00 175.35 176.29 3kqx n SER 361 N 4.86 1.02 0.10 1.43 7.64 -0.34 -4.94 113.62 123.39 3kqx n SER 361 Ca -0.12 0.68 -0.03 0.00 1.01 0.00 0.00 58.87 60.41 3kqx n SER 361 Cb 0.50 -1.47 0.16 0.00 -1.01 0.00 0.00 64.21 62.39 3kqx n SER 361 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3kqx h LYS 362 N -0.25 0.17 0.00 1.43 -0.00 -1.91 -3.46 116.57 112.55 3kqx h LYS 362 Ca -0.48 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.06 3kqx h LYS 362 Cb 1.33 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.57 3kqx h LYS 362 CO 0.48 0.69 0.00 0.41 -0.00 0.00 0.00 179.45 181.03 3kqx n GLY 363 N 0.17 -0.41 3.77 0.07 0.00 -1.26 -4.99 105.19 102.54 3kqx n GLY 363 Ca -0.02 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3kqx n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 364 N -1.29 6.17 -0.32 1.61 -0.00 -1.26 -4.89 116.67 116.68 3kqx s ASP 364 Ca 0.00 2.25 -0.15 0.00 -0.00 0.00 0.00 52.55 54.65 3kqx s ASP 364 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.30 3kqx s ASP 364 CO 0.00 -0.92 0.36 -0.69 -0.00 0.00 0.00 175.17 173.93 3kqx s VAL 365 N -1.60 5.17 -0.10 -1.27 1.01 -1.26 -3.69 120.40 118.65 3kqx s VAL 365 Ca 0.64 0.19 0.19 0.00 0.00 0.00 0.00 61.98 63.01 3kqx s VAL 365 Cb -0.27 -3.78 -0.28 0.00 0.00 0.00 0.00 36.38 32.04 3kqx s VAL 365 CO 0.32 -0.02 0.27 0.29 0.00 0.00 0.00 175.10 175.96 3kqx n LYS 366 N 5.38 0.74 -3.91 2.72 5.02 0.18 -4.93 118.16 123.35 3kqx n LYS 366 Ca -0.09 -0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 3kqx n LYS 366 Cb 0.50 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 3kqx n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqx s LYS 367 N -2.98 0.21 -0.18 1.97 1.02 -1.01 -5.05 119.74 113.72 3kqx s LYS 367 Ca -0.08 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 3kqx s LYS 367 Cb 0.10 -0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 3kqx s LYS 367 CO 0.83 -0.10 -0.05 0.15 -0.92 0.00 0.00 175.35 175.26 3kqx s LYS 368 N 0.77 3.51 -0.06 1.68 1.02 -1.26 -1.60 119.74 123.79 3kqx s LYS 368 Ca -0.07 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.39 3kqx s LYS 368 Cb -0.10 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 3kqx s LYS 368 CO -0.02 0.03 -0.24 0.42 -0.92 0.00 0.00 175.35 174.63 3kqx s ILE 369 N 0.90 1.96 -0.18 2.17 1.01 0.24 -0.26 121.20 127.04 3kqx s ILE 369 Ca -0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3kqx s ILE 369 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3kqx s ILE 369 CO 0.01 0.55 0.02 0.00 0.00 0.00 0.00 174.94 175.52 3kqx s ALA 370 N -0.06 3.19 -0.23 9.38 0.00 -0.43 -0.57 121.76 133.03 3kqx s ALA 370 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3kqx s ALA 370 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 3kqx s ALA 370 CO 0.04 0.06 0.06 -0.51 0.00 0.00 0.00 175.76 175.41 3kqx s LEU 371 N 0.62 3.53 -0.18 0.00 1.43 0.96 -1.39 118.68 123.64 3kqx s LEU 371 Ca 0.01 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3kqx s LEU 371 Cb -0.14 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3kqx s LEU 371 CO 0.02 0.03 -0.19 -0.69 0.23 0.00 0.00 176.35 175.75 3kqx s VAL 372 N 1.22 2.10 -0.09 -1.59 1.01 0.25 -0.98 120.40 122.33 3kqx s VAL 372 Ca 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3kqx s VAL 372 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kqx s VAL 372 CO 0.03 0.53 -0.12 -0.83 0.00 0.00 0.00 175.10 174.71 3kqx s GLY 373 N 1.29 1.57 0.17 4.51 0.00 -0.03 -0.43 107.32 114.40 3kqx s GLY 373 Ca 0.05 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 3kqx s GLY 373 CO -0.13 -0.49 1.33 1.25 0.00 0.00 0.00 173.10 175.06 3kqx s LYS 374 N -0.26 4.37 -0.41 2.90 2.20 -0.91 -4.13 119.74 123.50 3kqx s LYS 374 Ca 0.02 2.05 0.11 0.00 -0.36 0.00 0.00 55.97 57.79 3kqx s LYS 374 Cb -0.13 -3.22 0.36 0.00 -1.51 0.00 0.00 37.83 33.34 3kqx s LYS 374 CO 0.03 -0.31 0.81 0.41 -0.36 0.00 0.00 175.35 175.93 3kqx n GLY 375 N 2.75 3.89 3.53 5.54 0.00 -1.26 -1.41 105.19 118.24 3kqx n GLY 375 Ca 0.08 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3kqx n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqx s ILE 376 N -3.03 4.89 0.11 -0.61 -1.09 -1.10 -1.76 121.20 118.60 3kqx s ILE 376 Ca 0.41 0.24 0.15 0.00 -2.23 0.00 0.00 60.65 59.21 3kqx s ILE 376 Cb 0.35 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3kqx s ILE 376 CO -0.08 -0.46 1.58 0.71 -1.23 0.00 0.00 174.94 175.46 3kqx h THR 377 N 5.78 1.09 -2.79 2.92 1.35 -1.46 -1.31 112.91 118.49 3kqx h THR 377 Ca -0.26 -2.05 -0.15 0.00 -0.55 0.00 0.00 66.41 63.40 3kqx h THR 377 Cb 1.10 2.21 -0.28 0.00 -1.73 0.00 0.00 68.15 69.45 3kqx h THR 377 CO 0.85 0.52 -0.38 0.12 -0.25 0.00 0.00 175.52 176.39 3kqx s PHE 378 N -3.34 -0.50 -0.38 4.73 5.36 -1.26 -4.38 117.98 118.20 3kqx s PHE 378 Ca 0.01 1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.07 3kqx s PHE 378 Cb 0.10 0.17 0.10 0.00 -0.34 0.00 0.00 43.02 43.06 3kqx s PHE 378 CO 0.73 -0.31 0.15 0.34 -1.46 0.00 0.00 175.22 174.67 3kqx s ASP 379 N 1.45 5.09 0.14 6.13 2.15 -1.17 -1.54 116.67 128.93 3kqx s ASP 379 Ca -0.09 -2.01 0.26 0.00 0.43 0.00 0.00 52.55 51.15 3kqx s ASP 379 Cb -0.09 -1.76 0.95 0.00 -0.30 0.00 0.00 42.92 41.71 3kqx s ASP 379 CO -0.11 -0.48 1.80 -1.54 -0.17 0.00 0.00 175.17 174.68 3kqx n SER 380 N 4.50 0.53 0.00 -0.34 3.41 -0.69 -4.82 113.62 116.21 3kqx n SER 380 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3kqx n SER 380 Cb 0.42 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3kqx n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqx n GLY 381 N 1.20 3.10 7.00 5.00 0.00 -1.26 -1.40 105.19 118.83 3kqx n GLY 381 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kqx n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 382 N -0.76 0.19 0.29 -0.02 0.00 -1.26 -2.16 105.19 101.46 3kqx n GLY 382 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.21 3kqx n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqx h TYR 383 N 0.00 0.13 0.00 1.61 0.05 -1.83 0.23 116.97 117.16 3kqx h TYR 383 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.12 3kqx h TYR 383 Cb 0.00 -0.04 0.03 0.00 1.01 0.00 0.00 36.73 37.73 3kqx h TYR 383 CO 0.00 0.08 3.83 0.09 -1.05 0.00 0.00 178.16 181.11 3kqx n ASN 384 N -4.50 8.62 -4.61 3.88 4.13 -1.24 -4.98 115.26 116.56 3kqx n ASN 384 Ca 0.01 -2.57 -0.46 0.00 1.68 0.00 0.00 54.58 53.23 3kqx n ASN 384 Cb 0.16 -1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 36.82 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqx n LEU 385 N 3.64 2.08 -4.53 3.41 7.94 0.07 -4.51 117.00 125.10 3kqx n LEU 385 Ca 0.78 1.16 -0.27 0.00 -1.11 0.00 0.00 56.01 56.56 3kqx n LEU 385 Cb 0.23 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 3kqx n LEU 385 CO 0.86 -1.10 1.48 0.29 -1.11 0.00 0.00 177.39 177.81 3kqx n LYS 386 N 1.45 1.42 -0.00 1.96 5.02 -0.50 -4.49 118.16 123.02 3kqx n LYS 386 Ca 0.12 -2.36 0.03 0.00 -2.02 0.00 0.00 58.31 54.09 3kqx n LYS 386 Cb 0.29 -3.72 -0.04 0.00 -0.02 0.00 0.00 35.03 31.54 3kqx n LYS 386 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 387 N 14.72 2.73 -1.78 7.82 0.00 -1.26 -4.60 120.51 138.15 3kqx n ALA 387 Ca 0.45 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 3kqx n ALA 387 Cb 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 3kqx n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqx s ALA 388 N -1.80 3.12 0.24 0.00 0.00 -1.26 -4.96 121.76 117.09 3kqx s ALA 388 Ca 0.01 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 3kqx s ALA 388 Cb 0.05 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 3kqx s ALA 388 CO 0.27 -0.17 1.17 -0.35 0.00 0.00 0.00 175.76 176.69 3kqx n PRO 389 N 0.07 1.48 -0.58 0.00 -0.04 -1.26 -1.46 135.00 133.21 3kqx n PRO 389 Ca 0.04 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3kqx n PRO 389 Cb 0.49 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3kqx n PRO 389 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqx n GLY 390 N 1.70 1.35 0.09 0.55 0.00 -1.26 -4.91 105.19 102.71 3kqx n GLY 390 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3kqx n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 391 N 0.00 0.68 -3.64 1.61 3.41 -0.53 -4.94 113.62 110.20 3kqx n SER 391 Ca 0.00 0.58 -0.24 0.00 -0.26 0.00 0.00 58.87 58.95 3kqx n SER 391 Cb 0.00 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 63.26 3kqx n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqx n MET 392 N -2.15 -6.79 -0.11 4.33 2.81 -1.26 -4.84 117.12 109.11 3kqx n MET 392 Ca 0.05 0.76 0.22 0.00 -1.81 0.00 0.00 57.70 56.92 3kqx n MET 392 Cb 0.39 -5.71 0.66 0.00 -0.71 0.00 0.00 33.22 27.84 3kqx n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqx h ILE 393 N -2.30 0.68 0.00 2.02 2.10 -1.92 0.38 117.51 118.46 3kqx h ILE 393 Ca -0.58 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3kqx h ILE 393 Cb 1.36 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3kqx h ILE 393 CO 0.57 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 176.76 3kqx n ASP 394 N -4.37 0.00 0.01 2.19 5.75 -1.26 -2.09 116.55 116.78 3kqx n ASP 394 Ca 0.14 -0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.04 3kqx n ASP 394 Cb 0.72 -0.29 0.23 0.00 -1.03 0.00 0.00 41.12 40.75 3kqx n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqx n LEU 395 N -1.29 0.53 0.00 -2.12 7.94 0.12 -4.63 117.00 117.55 3kqx n LEU 395 Ca 0.10 0.06 0.12 0.00 -1.11 0.00 0.00 56.01 55.18 3kqx n LEU 395 Cb 0.18 -0.23 0.68 0.00 0.53 0.00 0.00 43.42 44.58 3kqx n LEU 395 CO 0.17 0.08 0.89 0.23 -1.11 0.00 0.00 177.39 177.64 3kqx n MET 396 N -1.66 0.82 0.23 1.96 2.81 -0.89 -0.52 117.12 119.88 3kqx n MET 396 Ca 0.05 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 3kqx n MET 396 Cb 0.36 -1.44 0.82 0.00 -0.71 0.00 0.00 33.22 32.26 3kqx n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqx h LYS 397 N 0.00 0.00 -0.16 0.03 2.10 -1.82 -2.82 116.57 113.90 3kqx h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqx h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kqx h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqx n PHE 398 N -2.61 0.20 1.59 0.07 -0.00 0.32 -4.07 117.46 112.97 3kqx n PHE 398 Ca -0.02 -0.10 0.12 0.00 -0.00 0.00 0.00 57.45 57.46 3kqx n PHE 398 Cb 0.08 0.00 0.73 0.00 -0.00 0.00 0.00 39.48 40.30 3kqx n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqx n ASP 399 N 0.10 0.00 -1.52 5.98 2.03 -1.07 -1.28 116.55 120.79 3kqx n ASP 399 Ca 0.14 -0.81 0.08 0.00 0.52 0.00 0.00 54.79 54.72 3kqx n ASP 399 Cb 0.26 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.00 3kqx n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqx n MET 400 N -0.99 3.92 -0.06 -0.67 0.00 -0.49 -2.72 117.12 116.11 3kqx n MET 400 Ca 0.19 -2.92 0.09 0.00 0.00 0.00 0.00 57.70 55.06 3kqx n MET 400 Cb 0.08 -1.96 0.47 0.00 0.00 0.00 0.00 33.22 31.82 3kqx n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqx h SER 401 N 3.60 0.41 -0.07 3.17 0.02 -1.36 -1.20 113.55 118.12 3kqx h SER 401 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kqx h SER 401 Cb 1.57 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 3kqx h SER 401 CO 0.29 0.26 0.03 1.23 -1.14 0.00 0.00 176.83 177.51 3kqx h GLY 402 N 0.46 0.10 0.82 -3.77 0.00 -1.77 -1.23 103.07 97.69 3kqx h GLY 402 Ca 0.24 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.56 3kqx h GLY 402 CO -0.07 0.05 0.52 0.00 0.00 0.00 0.00 176.54 177.04 3kqx h ALA 404 N 1.36 0.89 -0.47 0.00 0.00 -1.01 0.16 119.26 120.19 3kqx h ALA 404 Ca 0.34 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 404 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kqx h ALA 404 CO -0.14 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.88 3kqx h ALA 405 N 1.05 0.62 -0.62 0.00 0.00 -0.98 0.32 119.26 119.66 3kqx h ALA 405 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kqx h ALA 405 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kqx h ALA 405 CO 0.03 0.31 0.33 0.28 0.00 0.00 0.00 179.25 180.20 3kqx h VAL 406 N 0.64 1.20 -0.44 0.00 2.07 -1.06 0.97 116.25 119.63 3kqx h VAL 406 Ca 0.15 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 67.02 3kqx h VAL 406 Cb 0.33 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kqx h VAL 406 CO 0.00 0.22 -0.22 -0.07 0.02 0.00 0.00 177.57 177.52 3kqx h LEU 407 N 0.84 0.96 -0.57 2.57 4.07 -0.81 -0.37 115.31 122.01 3kqx h LEU 407 Ca 0.22 -0.41 0.05 0.00 0.08 0.00 0.00 57.88 57.82 3kqx h LEU 407 Cb 0.06 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 3kqx h LEU 407 CO -0.03 1.16 0.30 1.23 -1.08 0.00 0.00 178.44 180.01 3kqx h GLY 408 N 0.77 0.81 1.34 0.83 0.00 -0.65 -1.50 103.07 104.67 3kqx h GLY 408 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kqx h GLY 408 CO 0.07 0.13 0.16 0.00 0.00 0.00 0.00 176.54 176.90 3kqx h ALA 410 N 1.37 1.37 0.03 0.00 0.00 -0.42 0.13 119.26 121.73 3kqx h ALA 410 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kqx h ALA 410 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kqx h ALA 410 CO -0.01 0.55 -0.05 -0.92 0.00 0.00 0.00 179.25 178.82 3kqx h TYR 411 N 1.09 -0.13 -0.01 0.00 3.20 -0.54 0.12 116.97 120.70 3kqx h TYR 411 Ca 0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3kqx h TYR 411 Cb -0.06 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3kqx h TYR 411 CO 0.00 -0.08 0.00 0.00 -1.64 0.00 0.00 178.16 176.44 3kqx h VAL 413 N -0.07 1.14 0.00 0.00 2.07 -0.76 0.12 116.25 118.75 3kqx h VAL 413 Ca 0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kqx h VAL 413 Cb 0.08 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kqx h VAL 413 CO -0.00 0.14 -0.01 1.23 0.02 0.00 0.00 177.57 178.95 3kqx h GLY 414 N 0.57 0.00 0.10 2.17 0.00 -0.69 -0.24 103.07 104.98 3kqx h GLY 414 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.25 3kqx h GLY 414 CO -0.03 0.00 -1.26 -0.84 0.00 0.00 0.00 176.54 174.41 3kqx h THR 415 N 0.00 0.95 0.00 4.70 2.02 -0.67 -3.38 112.91 116.52 3kqx h THR 415 Ca -0.00 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3kqx h THR 415 Cb 0.41 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3kqx h THR 415 CO 0.00 0.42 0.00 -0.07 0.37 0.00 0.00 175.52 176.24 3kqx h LEU 416 N -0.84 0.00 -3.09 2.58 3.38 -0.70 -3.49 115.31 113.16 3kqx h LEU 416 Ca -0.33 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 3kqx h LEU 416 Cb 1.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.16 3kqx h LEU 416 CO -0.15 0.00 -0.63 0.29 0.09 0.00 0.00 178.44 178.05 3kqx n LYS 417 N -2.85 -1.39 -1.36 1.13 5.02 -0.11 -4.96 118.16 113.64 3kqx n LYS 417 Ca 0.03 1.00 -0.32 0.00 -2.02 0.00 0.00 58.31 57.00 3kqx n LYS 417 Cb 0.43 -4.06 0.09 0.00 -0.02 0.00 0.00 35.03 31.47 3kqx n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqx s PRO 418 N -4.37 2.26 0.39 1.97 0.04 -1.26 -5.03 135.00 129.00 3kqx s PRO 418 Ca 0.10 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 3kqx s PRO 418 Cb -0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3kqx s PRO 418 CO 0.83 -1.67 0.64 -1.21 0.04 0.00 0.00 177.00 175.64 3kqx s GLU 419 N -4.51 3.52 -1.06 4.56 2.02 -1.26 -4.61 118.70 117.36 3kqx s GLU 419 Ca 0.65 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.55 3kqx s GLU 419 Cb -0.20 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3kqx s GLU 419 CO 0.51 0.02 0.00 0.09 0.02 0.00 0.00 175.26 175.89 3kqx n ASN 420 N -1.89 -4.55 -4.09 -0.19 3.02 -1.24 -4.98 115.26 101.34 3kqx n ASN 420 Ca -0.02 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.67 3kqx n ASN 420 Cb 0.56 -2.93 -0.11 0.00 -0.61 0.00 0.00 39.78 36.69 3kqx n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqx s VAL 421 N -2.25 0.43 -0.06 2.41 0.11 -1.26 0.48 120.40 120.26 3kqx s VAL 421 Ca 0.00 -1.49 0.01 0.00 -2.93 0.00 0.00 61.98 57.57 3kqx s VAL 421 Cb 0.00 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 3kqx s VAL 421 CO 0.00 -0.71 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.31 3kqx s GLU 422 N -2.83 1.05 -0.08 1.54 2.12 -0.63 -1.20 118.70 118.67 3kqx s GLU 422 Ca -0.00 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.19 3kqx s GLU 422 Cb -0.01 -1.03 0.01 0.00 0.26 0.00 0.00 34.13 33.36 3kqx s GLU 422 CO -0.04 -0.10 -0.12 0.42 -0.54 0.00 0.00 175.26 174.88 3kqx s ILE 423 N 1.04 1.22 -0.19 -3.70 1.01 0.03 -0.59 121.20 120.02 3kqx s ILE 423 Ca -0.09 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3kqx s ILE 423 Cb -0.14 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3kqx s ILE 423 CO -0.00 0.38 0.07 -1.00 0.00 0.00 0.00 174.94 174.38 3kqx s HIS 424 N 0.89 3.22 -0.28 3.97 3.76 0.26 -1.14 115.29 125.97 3kqx s HIS 424 Ca -0.10 0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3kqx s HIS 424 Cb -0.15 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.45 3kqx s HIS 424 CO 0.01 0.08 0.03 -0.06 -0.85 0.00 0.00 174.74 173.94 3kqx s PHE 425 N 0.57 3.11 -0.01 1.40 0.08 0.11 -0.03 117.98 123.21 3kqx s PHE 425 Ca 0.03 -1.17 0.06 0.00 0.12 0.00 0.00 56.93 55.98 3kqx s PHE 425 Cb -0.13 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 3kqx s PHE 425 CO 0.01 -0.62 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.80 3kqx s LEU 426 N 1.44 2.06 -0.21 -0.37 1.43 -0.15 -0.95 118.68 121.92 3kqx s LEU 426 Ca 0.02 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3kqx s LEU 426 Cb -0.17 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 45.10 3kqx s LEU 426 CO -0.00 0.24 0.49 -0.55 0.23 0.00 0.00 176.35 176.76 3kqx s SER 427 N -0.57 -0.59 -0.90 2.29 0.15 -0.42 -0.85 113.70 112.83 3kqx s SER 427 Ca 0.08 1.12 -0.20 0.00 0.70 0.00 0.00 55.95 57.64 3kqx s SER 427 Cb -0.08 1.25 0.10 0.00 -1.71 0.00 0.00 66.02 65.58 3kqx s SER 427 CO -0.00 -0.22 1.16 0.00 1.20 0.00 0.00 173.24 175.38 3kqx s ALA 428 N 2.00 3.19 -0.04 5.45 0.00 -1.26 -0.40 121.76 130.71 3kqx s ALA 428 Ca -0.07 -2.49 -0.21 0.00 0.00 0.00 0.00 51.96 49.19 3kqx s ALA 428 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 23.12 18.87 3kqx s ALA 428 CO -0.15 -3.07 0.62 0.08 0.00 0.00 0.00 175.76 173.24 3kqx s VAL 429 N 3.41 4.98 0.28 0.00 1.01 -0.81 -4.10 120.40 125.16 3kqx s VAL 429 Ca 0.33 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 3kqx s VAL 429 Cb -0.06 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.41 3kqx s VAL 429 CO -0.06 0.35 0.71 0.00 0.00 0.00 0.00 175.10 176.10 3kqx s GLU 431 N -2.06 0.85 -0.40 0.00 2.12 -1.26 -1.24 118.70 116.71 3kqx s GLU 431 Ca 0.15 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.06 3kqx s GLU 431 Cb -0.04 -0.82 0.09 0.00 0.26 0.00 0.00 34.13 33.63 3kqx s GLU 431 CO 0.08 0.21 0.21 1.21 -0.54 0.00 0.00 175.26 176.43 3kqx s ASN 432 N -0.20 5.38 0.33 -1.70 2.47 -0.59 -4.41 114.94 116.22 3kqx s ASN 432 Ca 0.03 -1.72 0.04 0.00 0.42 0.00 0.00 52.86 51.64 3kqx s ASN 432 Cb -0.04 -1.89 -0.06 0.00 -1.45 0.00 0.00 41.25 37.80 3kqx s ASN 432 CO -0.00 -0.52 0.04 -0.04 -3.72 0.00 0.00 177.10 172.86 3kqx s MET 433 N 1.28 1.66 -0.19 0.43 -1.94 -1.26 -1.71 119.30 117.57 3kqx s MET 433 Ca 0.04 -1.91 -0.07 0.00 -1.71 0.00 0.00 55.69 52.04 3kqx s MET 433 Cb -0.23 -0.98 -0.03 0.00 2.01 0.00 0.00 34.83 35.60 3kqx s MET 433 CO -0.01 -0.14 0.04 0.08 -0.01 0.00 0.00 175.02 174.98 3kqx s VAL 434 N -3.20 4.47 0.16 -6.03 1.01 -1.26 -4.58 120.40 110.97 3kqx s VAL 434 Ca 0.35 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3kqx s VAL 434 Cb 0.08 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.50 3kqx s VAL 434 CO 0.15 0.44 0.74 -0.55 0.00 0.00 0.00 175.10 175.88 3kqx s SER 435 N 0.66 -0.39 0.58 3.32 0.15 -1.26 -4.99 113.70 111.76 3kqx s SER 435 Ca 0.02 -0.22 0.39 0.00 0.70 0.00 0.00 55.95 56.84 3kqx s SER 435 Cb -0.13 0.58 2.11 0.00 -1.71 0.00 0.00 66.02 66.86 3kqx s SER 435 CO 0.02 -1.00 2.19 0.07 1.20 0.00 0.00 173.24 175.72 3kqx h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.98 -2.94 116.57 121.18 3kqx h LYS 436 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kqx h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kqx h LYS 436 CO 0.31 0.00 -0.22 0.09 -2.00 0.00 0.00 179.45 177.63 3kqx n ASN 437 N -2.87 1.95 -4.79 7.07 3.02 -1.26 -5.01 115.26 113.37 3kqx n ASN 437 Ca -0.03 -1.49 -0.32 0.00 -0.03 0.00 0.00 54.58 52.71 3kqx n ASN 437 Cb 0.07 0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.48 3kqx n ASN 437 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kqx s SER 438 N -2.28 5.12 0.89 6.41 0.01 -1.11 -3.68 113.70 119.06 3kqx s SER 438 Ca 0.26 1.81 -0.11 0.00 1.31 0.00 0.00 55.95 59.21 3kqx s SER 438 Cb 0.19 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 64.02 3kqx s SER 438 CO 0.45 -1.62 1.09 -0.72 0.41 0.00 0.00 173.24 172.85 3kqx s TYR 439 N -2.72 2.24 0.09 2.43 1.13 -1.26 -4.87 117.35 114.40 3kqx s TYR 439 Ca 0.62 1.38 0.09 0.00 -1.41 0.00 0.00 57.07 57.74 3kqx s TYR 439 Cb -0.17 -3.15 -0.03 0.00 -1.10 0.00 0.00 41.96 37.51 3kqx s TYR 439 CO 0.49 -2.40 -0.22 1.03 -2.51 0.00 0.00 175.55 171.93 3kqx s ARG 440 N -4.87 1.28 0.20 -3.49 0.52 -1.26 -4.67 118.95 106.67 3kqx s ARG 440 Ca 0.64 -1.15 -0.31 0.00 -0.52 0.00 0.00 55.73 54.38 3kqx s ARG 440 Cb -0.19 -1.56 -0.15 0.00 0.52 0.00 0.00 34.95 33.57 3kqx s ARG 440 CO 0.57 0.37 1.11 -2.30 0.02 0.00 0.00 175.30 175.08 3kqx n PRO 441 N 1.26 1.21 0.00 3.54 -0.02 -1.26 -0.87 135.00 138.86 3kqx n PRO 441 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3kqx n PRO 441 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3kqx n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 442 N 1.82 3.29 3.74 -1.23 0.00 0.88 -5.03 105.19 108.66 3kqx n GLY 442 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3kqx n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 443 N -0.87 4.97 -0.20 1.61 1.01 -0.05 -4.44 116.67 118.70 3kqx s ASP 443 Ca 0.00 2.52 -0.04 0.00 0.71 0.00 0.00 52.55 55.74 3kqx s ASP 443 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3kqx s ASP 443 CO 0.00 -1.75 -0.04 -0.63 0.21 0.00 0.00 175.17 172.95 3kqx s ILE 444 N -1.48 3.50 0.24 0.77 1.01 -1.26 -1.13 121.20 122.85 3kqx s ILE 444 Ca 0.79 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 61.09 3kqx s ILE 444 Cb -0.34 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 3kqx s ILE 444 CO 0.37 0.44 -0.21 0.27 0.00 0.00 0.00 174.94 175.81 3kqx s ILE 445 N 1.12 2.35 -0.13 2.92 -4.36 -0.53 -4.92 121.20 117.65 3kqx s ILE 445 Ca 0.02 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.19 3kqx s ILE 445 Cb -0.15 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 3kqx s ILE 445 CO -0.00 -0.30 -0.15 -0.89 0.24 0.00 0.00 174.94 173.84 3kqx s THR 446 N -2.19 2.79 0.65 8.37 2.01 -1.26 -0.61 115.64 125.40 3kqx s THR 446 Ca 0.25 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 3kqx s THR 446 Cb -0.06 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.33 3kqx s THR 446 CO 0.12 0.53 0.96 0.00 -0.69 0.00 0.00 174.62 175.53 3kqx s ALA 447 N 0.47 3.26 -0.87 7.40 0.00 -0.09 -2.39 121.76 129.54 3kqx s ALA 447 Ca -0.11 -0.88 0.17 0.00 0.00 0.00 0.00 51.96 51.14 3kqx s ALA 447 Cb -0.16 -2.56 0.72 0.00 0.00 0.00 0.00 23.12 21.12 3kqx s ALA 447 CO 0.05 -1.09 1.54 -1.13 0.00 0.00 0.00 175.76 175.13 3kqx n SER 448 N -2.76 0.17 -1.00 0.00 3.41 -1.07 -0.16 113.62 112.21 3kqx n SER 448 Ca 0.07 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 3kqx n SER 448 Cb 0.59 -0.58 0.24 0.00 -0.26 0.00 0.00 64.21 64.20 3kqx n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqx n ASN 449 N -1.69 2.90 0.00 4.04 0.23 -1.26 -4.94 115.26 114.54 3kqx n ASN 449 Ca 0.03 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3kqx n ASN 449 Cb 0.19 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3kqx n ASN 449 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqx n GLY 450 N 1.34 1.31 3.71 4.83 0.00 0.77 -5.02 105.19 112.12 3kqx n GLY 450 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kqx n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s LYS 451 N -0.49 4.30 0.10 1.61 1.02 -1.26 -4.76 119.74 120.27 3kqx s LYS 451 Ca 0.00 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.86 3kqx s LYS 451 Cb 0.00 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 3kqx s LYS 451 CO 0.00 -0.50 0.65 -0.08 -0.92 0.00 0.00 175.35 174.51 3kqx s THR 452 N 1.48 4.60 -0.10 2.17 -1.32 -1.26 -0.92 115.64 120.30 3kqx s THR 452 Ca 0.66 1.42 0.01 0.00 -1.21 0.00 0.00 61.69 62.56 3kqx s THR 452 Cb -0.36 -4.00 0.02 0.00 -1.51 0.00 0.00 72.50 66.64 3kqx s THR 452 CO 0.30 0.53 -0.12 -0.63 -2.21 0.00 0.00 174.62 172.49 3kqx s ILE 453 N -1.05 1.25 -0.25 5.08 1.01 0.22 -1.79 121.20 125.66 3kqx s ILE 453 Ca 0.32 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 3kqx s ILE 453 Cb -0.21 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3kqx s ILE 453 CO 0.22 0.39 0.59 -0.70 0.00 0.00 0.00 174.94 175.44 3kqx s GLU 454 N 1.11 4.10 -0.37 2.79 2.12 0.11 -1.45 118.70 127.11 3kqx s GLU 454 Ca -0.05 0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.47 3kqx s GLU 454 Cb -0.14 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3kqx s GLU 454 CO -0.02 -0.38 1.00 0.08 -0.54 0.00 0.00 175.26 175.40 3kqx s VAL 455 N 2.39 4.51 -0.20 3.70 1.01 -0.28 -1.48 120.40 130.05 3kqx s VAL 455 Ca 0.24 1.35 0.22 0.00 0.00 0.00 0.00 61.98 63.80 3kqx s VAL 455 Cb -0.16 -4.40 -0.23 0.00 0.00 0.00 0.00 36.38 31.60 3kqx s VAL 455 CO 0.09 -0.59 0.70 0.61 0.00 0.00 0.00 175.10 175.91 3kqx n GLY 456 N 4.30 -1.14 3.41 4.51 0.00 -1.26 -0.08 105.19 114.93 3kqx n GLY 456 Ca 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 3kqx n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqx s ASN 457 N -4.56 -0.74 0.05 1.61 3.84 -1.26 -4.76 114.94 109.12 3kqx s ASN 457 Ca -0.04 1.21 0.16 0.00 0.21 0.00 0.00 52.86 54.40 3kqx s ASN 457 Cb 0.13 1.85 0.68 0.00 -0.55 0.00 0.00 41.25 43.36 3kqx s ASN 457 CO 0.87 -0.23 1.50 0.35 -2.79 0.00 0.00 177.10 176.80 3kqx n THR 458 N 5.42 0.98 1.49 -5.21 -2.24 -1.26 -1.48 114.28 111.98 3kqx n THR 458 Ca -0.09 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 3kqx n THR 458 Cb 0.49 -1.03 0.53 0.00 -2.10 0.00 0.00 70.33 68.22 3kqx n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqx n ASP 459 N -1.63 1.34 -2.76 3.42 2.03 -0.92 -3.47 116.55 114.56 3kqx n ASP 459 Ca 0.03 -1.37 -0.35 0.00 0.52 0.00 0.00 54.79 53.62 3kqx n ASP 459 Cb 0.18 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3kqx n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqx n ALA 460 N -0.02 6.50 0.08 -1.67 0.00 -0.55 -4.71 120.51 120.15 3kqx n ALA 460 Ca 0.18 -3.73 -0.05 0.00 0.00 0.00 0.00 53.44 49.84 3kqx n ALA 460 Cb 0.34 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.65 3kqx n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqx h GLU 461 N 3.00 0.00 -0.46 0.00 9.09 -1.78 -3.35 114.58 121.07 3kqx h GLU 461 Ca 0.51 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.98 3kqx h GLU 461 Cb 0.28 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.32 3kqx h GLU 461 CO 1.24 0.91 0.13 0.78 0.05 0.00 0.00 179.01 182.11 3kqx h GLY 462 N 3.03 0.58 2.00 1.06 0.00 -1.92 -1.59 103.07 106.24 3kqx h GLY 462 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3kqx h GLY 462 CO 0.12 -0.02 -0.24 0.07 0.00 0.00 0.00 176.54 176.47 3kqx h ARG 463 N 0.28 0.00 -0.48 4.80 0.11 -1.95 0.19 114.38 117.33 3kqx h ARG 463 Ca 0.22 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.19 3kqx h ARG 463 Cb 0.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 3kqx h ARG 463 CO -0.26 0.24 -0.13 -0.07 0.10 0.00 0.00 179.97 179.85 3kqx h LEU 464 N 0.00 0.94 -0.43 0.08 3.38 -1.44 -1.05 115.31 116.79 3kqx h LEU 464 Ca -0.00 -0.37 -0.18 0.00 0.09 0.00 0.00 57.88 57.42 3kqx h LEU 464 Cb 0.48 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kqx h LEU 464 CO 0.03 1.09 -0.65 0.71 0.09 0.00 0.00 178.44 179.72 3kqx h THR 465 N 0.78 1.34 -0.22 0.22 1.35 -0.68 -2.91 112.91 112.79 3kqx h THR 465 Ca 0.12 -1.95 -0.08 0.00 -0.55 0.00 0.00 66.41 63.95 3kqx h THR 465 Cb 0.68 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 3kqx h THR 465 CO 0.05 0.60 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.63 3kqx h LEU 466 N 0.39 0.38 -0.13 3.87 3.38 -0.95 -2.30 115.31 119.95 3kqx h LEU 466 Ca -0.01 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kqx h LEU 466 Cb 1.21 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3kqx h LEU 466 CO 0.12 0.61 -0.08 0.00 0.09 0.00 0.00 178.44 179.18 3kqx h ALA 467 N 1.42 0.03 -0.18 1.53 0.00 -0.98 0.27 119.26 121.35 3kqx h ALA 467 Ca 0.06 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kqx h ALA 467 Cb 0.58 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kqx h ALA 467 CO 0.04 -0.53 -0.50 -0.44 0.00 0.00 0.00 179.25 177.82 3kqx h ASP 468 N -0.08 0.53 -0.82 0.00 3.32 -1.50 -2.32 116.42 115.54 3kqx h ASP 468 Ca 0.08 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3kqx h ASP 468 Cb 0.20 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3kqx h ASP 468 CO -0.19 0.94 0.35 0.00 -1.72 0.00 0.00 179.24 178.63 3kqx h ALA 469 N 1.08 1.07 -0.46 3.45 0.00 -1.06 -1.57 119.26 121.77 3kqx h ALA 469 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3kqx h ALA 469 Cb 1.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kqx h ALA 469 CO 0.09 0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 179.73 3kqx h LEU 470 N 1.19 0.95 -0.48 0.00 3.38 -0.24 -0.07 115.31 120.04 3kqx h LEU 470 Ca 0.28 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3kqx h LEU 470 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kqx h LEU 470 CO -0.03 1.12 0.14 0.58 0.09 0.00 0.00 178.44 180.34 3kqx h VAL 471 N 0.80 1.23 -0.47 1.22 2.07 -1.37 -0.91 116.25 118.82 3kqx h VAL 471 Ca 0.11 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kqx h VAL 471 Cb 0.77 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3kqx h VAL 471 CO 0.06 0.28 0.29 0.22 0.02 0.00 0.00 177.57 178.45 3kqx h TYR 472 N 0.64 0.55 -0.36 1.57 3.20 -1.05 -1.96 116.97 119.56 3kqx h TYR 472 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3kqx h TYR 472 Cb 0.29 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3kqx h TYR 472 CO 0.02 0.33 0.16 0.00 -1.64 0.00 0.00 178.16 177.02 3kqx h ALA 473 N 1.19 0.47 -0.66 1.82 0.00 -0.87 -2.93 119.26 118.27 3kqx h ALA 473 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kqx h ALA 473 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kqx h ALA 473 CO -0.07 0.05 0.28 1.49 0.00 0.00 0.00 179.25 181.01 3kqx h GLU 474 N 0.44 0.96 -0.06 0.00 4.81 -0.96 -2.04 114.58 117.72 3kqx h GLU 474 Ca 0.12 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kqx h GLU 474 Cb 0.16 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kqx h GLU 474 CO -0.01 0.77 0.16 0.87 -0.73 0.00 0.00 179.01 180.06 3kqx h LYS 475 N 0.95 0.00 0.00 1.92 1.57 -1.18 -0.98 116.57 118.85 3kqx h LYS 475 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kqx h LYS 475 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kqx h LYS 475 CO -0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 3kqx n LEU 476 N -3.32 0.79 -1.48 2.94 4.77 -0.77 -4.92 117.00 115.01 3kqx n LEU 476 Ca -0.01 0.62 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 3kqx n LEU 476 Cb 0.24 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3kqx n LEU 476 CO 0.21 -0.36 0.02 0.61 -1.33 0.00 0.00 177.39 176.54 3kqx n GLY 477 N 0.73 0.32 3.99 -0.72 0.00 -0.37 -5.05 105.19 104.07 3kqx n GLY 477 Ca 0.04 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 3kqx n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqx s VAL 478 N -3.07 2.98 -0.02 1.61 -7.23 -1.26 -4.95 120.40 108.46 3kqx s VAL 478 Ca 0.01 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3kqx s VAL 478 Cb -0.00 -3.05 -0.26 0.00 0.56 0.00 0.00 36.38 33.63 3kqx s VAL 478 CO 0.13 -0.03 0.75 0.44 -0.31 0.00 0.00 175.10 176.08 3kqx h ASP 479 N 0.39 0.29 -3.75 4.85 3.32 -1.02 -3.48 116.42 117.02 3kqx h ASP 479 Ca -0.42 -0.47 -0.30 0.00 0.02 0.00 0.00 57.03 55.86 3kqx h ASP 479 Cb 1.28 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 3kqx h ASP 479 CO 0.49 1.40 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.36 3kqx s TYR 480 N -2.61 0.30 -0.17 4.55 2.02 -1.13 -3.92 117.35 116.39 3kqx s TYR 480 Ca -0.10 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3kqx s TYR 480 Cb 0.07 -0.24 0.01 0.00 -0.40 0.00 0.00 41.96 41.41 3kqx s TYR 480 CO 0.83 -0.04 -0.19 0.42 -1.57 0.00 0.00 175.55 175.01 3kqx s ILE 481 N 0.18 2.23 -0.15 2.71 1.01 -0.65 -1.32 121.20 125.22 3kqx s ILE 481 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3kqx s ILE 481 Cb -0.04 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3kqx s ILE 481 CO -0.00 0.53 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 3kqx s VAL 482 N 1.18 2.28 0.18 2.92 1.01 -0.49 -1.32 120.40 126.16 3kqx s VAL 482 Ca 0.02 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3kqx s VAL 482 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3kqx s VAL 482 CO -0.09 0.53 0.05 1.51 0.00 0.00 0.00 175.10 177.10 3kqx s ASP 483 N 0.90 5.03 -0.02 3.32 1.47 -0.09 -0.58 116.67 126.69 3kqx s ASP 483 Ca -0.05 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.37 3kqx s ASP 483 Cb -0.15 -1.16 0.02 0.00 -0.34 0.00 0.00 42.92 41.29 3kqx s ASP 483 CO -0.03 0.08 0.00 -0.51 0.68 0.00 0.00 175.17 175.39 3kqx s ILE 484 N -1.77 0.12 -0.20 2.11 2.07 0.43 -1.01 121.20 122.94 3kqx s ILE 484 Ca 0.29 0.10 -0.21 0.00 -1.41 0.00 0.00 60.65 59.41 3kqx s ILE 484 Cb -0.09 -0.21 0.06 0.00 0.13 0.00 0.00 42.46 42.34 3kqx s ILE 484 CO 0.20 0.12 0.58 0.00 -1.91 0.00 0.00 174.94 173.94 3kqx s ALA 485 N 0.91 -1.45 -1.38 1.50 0.00 -0.33 -2.14 121.76 118.87 3kqx s ALA 485 Ca -0.09 1.57 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 3kqx s ALA 485 Cb -0.12 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3kqx s ALA 485 CO -0.02 -0.29 2.04 0.25 0.00 0.00 0.00 175.76 177.74 3kqx n THR 486 N 2.53 3.56 -0.10 0.00 -2.24 -1.26 -0.77 114.28 115.99 3kqx n THR 486 Ca -0.14 -3.35 -0.19 0.00 -2.27 0.00 0.00 64.05 58.10 3kqx n THR 486 Cb 0.56 -2.50 -0.10 0.00 -2.10 0.00 0.00 70.33 66.19 3kqx n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqx n LEU 487 N 7.12 1.85 -4.02 3.22 7.94 -1.26 -4.74 117.00 127.11 3kqx n LEU 487 Ca 0.51 0.46 -0.23 0.00 -1.11 0.00 0.00 56.01 55.63 3kqx n LEU 487 Cb 0.42 -0.94 -0.16 0.00 0.53 0.00 0.00 43.42 43.26 3kqx n LEU 487 CO 0.85 0.15 -0.46 0.42 -1.11 0.00 0.00 177.39 177.24 3kqx s THR 488 N -2.35 1.04 0.62 1.96 -4.23 -1.26 -4.97 115.64 106.45 3kqx s THR 488 Ca -0.27 -0.44 0.35 0.00 -1.18 0.00 0.00 61.69 60.15 3kqx s THR 488 Cb 0.05 -0.95 0.39 0.00 1.34 0.00 0.00 72.50 73.34 3kqx s THR 488 CO 0.52 0.33 2.26 1.23 -0.54 0.00 0.00 174.62 178.42 3kqx h GLY 489 N 6.82 0.00 1.81 3.99 0.00 -1.93 -2.60 103.07 111.17 3kqx h GLY 489 Ca -0.32 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3kqx h GLY 489 CO 0.48 0.00 0.08 0.00 0.00 0.00 0.00 176.54 177.09 3kqx h ALA 490 N 1.94 1.58 -0.97 3.60 0.00 -1.97 -2.05 119.26 121.39 3kqx h ALA 490 Ca 0.01 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.13 3kqx h ALA 490 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3kqx h ALA 490 CO -0.00 -0.11 0.62 0.52 0.00 0.00 0.00 179.25 180.28 3kqx h MET 491 N 0.00 0.50 0.00 0.00 2.86 -1.85 0.18 114.93 116.61 3kqx h MET 491 Ca 0.03 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3kqx h MET 491 Cb 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kqx h MET 491 CO -0.00 0.33 -0.16 -0.07 1.06 0.00 0.00 176.91 178.07 3kqx h LEU 492 N 0.51 0.00 0.00 1.22 3.38 -1.59 -1.10 115.31 117.73 3kqx h LEU 492 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3kqx h LEU 492 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3kqx h LEU 492 CO -0.26 0.16 -0.62 1.88 0.09 0.00 0.00 178.44 179.69 3kqx h TYR 493 N 0.00 0.00 0.00 1.13 -1.99 -0.83 -3.25 116.97 112.03 3kqx h TYR 493 Ca -0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 3kqx h TYR 493 Cb 0.33 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 3kqx h TYR 493 CO 0.00 0.00 -1.74 -1.13 -0.00 0.00 0.00 178.16 175.29 3kqx n SER 494 N -2.24 1.72 -0.00 3.88 3.41 -0.95 -4.85 113.62 114.58 3kqx n SER 494 Ca 0.03 0.29 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 3kqx n SER 494 Cb 0.46 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3kqx n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 495 N -4.16 0.00 0.00 1.04 4.77 -0.52 -5.11 117.00 113.02 3kqx n LEU 495 Ca -0.33 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3kqx n LEU 495 Cb 0.68 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3kqx n LEU 495 CO 0.09 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3kqx n GLY 496 N 2.29 -0.24 0.31 -0.72 0.00 -0.58 -4.35 105.19 101.89 3kqx n GLY 496 Ca -0.02 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3kqx n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqx n THR 497 N 0.00 0.00 -0.09 2.61 -2.24 -1.26 -4.35 114.28 108.94 3kqx n THR 497 Ca 0.00 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 3kqx n THR 497 Cb 0.00 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 3kqx n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqx n SER 498 N -0.54 2.02 -4.39 3.42 7.64 -1.26 -4.25 113.62 116.25 3kqx n SER 498 Ca 0.10 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.63 3kqx n SER 498 Cb 0.40 -0.56 -0.14 0.00 -1.01 0.00 0.00 64.21 62.89 3kqx n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqx s TYR 499 N -2.53 2.77 0.65 1.43 4.12 -1.26 -4.57 117.35 117.96 3kqx s TYR 499 Ca -0.32 -0.53 -0.10 0.00 0.02 0.00 0.00 57.07 56.15 3kqx s TYR 499 Cb 0.09 -1.78 -0.00 0.00 -1.52 0.00 0.00 41.96 38.74 3kqx s TYR 499 CO 0.64 -0.11 1.02 0.00 0.02 0.00 0.00 175.55 177.12 3kqx s ALA 500 N 0.07 3.06 0.00 3.71 0.00 -0.66 -4.61 121.76 123.32 3kqx s ALA 500 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3kqx s ALA 500 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3kqx s ALA 500 CO 0.04 -0.90 0.13 0.20 0.00 0.00 0.00 175.76 175.23 3kqx s GLY 501 N -4.29 2.10 -0.03 0.00 0.00 -1.09 -0.85 107.32 103.16 3kqx s GLY 501 Ca 0.56 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.49 3kqx s GLY 501 CO 0.51 -0.72 -0.16 0.54 0.00 0.00 0.00 173.10 173.26 3kqx s VAL 502 N -1.28 1.32 0.10 1.40 0.11 -0.51 -0.86 120.40 120.68 3kqx s VAL 502 Ca 0.26 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 3kqx s VAL 502 Cb -0.12 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3kqx s VAL 502 CO 0.17 0.38 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.83 3kqx s PHE 503 N -0.09 1.27 0.13 1.54 0.08 -0.14 -0.83 117.98 119.94 3kqx s PHE 503 Ca -0.00 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.26 3kqx s PHE 503 Cb -0.09 -0.69 0.08 0.00 -0.57 0.00 0.00 43.02 41.75 3kqx s PHE 503 CO 0.01 0.09 1.10 0.20 -0.10 0.00 0.00 175.22 176.52 3kqx s GLY 504 N -2.23 -0.00 0.00 4.36 0.00 -1.26 -0.17 107.32 108.02 3kqx s GLY 504 Ca 0.05 -0.15 0.19 0.00 0.00 0.00 0.00 44.72 44.80 3kqx s GLY 504 CO 0.02 2.72 1.42 1.16 0.00 0.00 0.00 173.10 178.41 3kqx n ASN 505 N -1.07 3.53 -3.44 1.64 0.23 -0.44 -4.81 115.26 110.90 3kqx n ASN 505 Ca -0.02 -1.98 -0.08 0.00 -0.53 0.00 0.00 54.58 51.96 3kqx n ASN 505 Cb 0.60 -0.37 -0.08 0.00 -2.08 0.00 0.00 39.78 37.84 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 506 N -1.05 0.01 0.22 0.53 3.84 -1.26 -4.88 114.94 112.35 3kqx s ASN 506 Ca 0.39 0.50 -0.08 0.00 0.21 0.00 0.00 52.86 53.88 3kqx s ASN 506 Cb 0.21 1.23 0.17 0.00 -0.55 0.00 0.00 41.25 42.31 3kqx s ASN 506 CO 0.27 -0.28 1.83 -0.08 -2.79 0.00 0.00 177.10 176.05 3kqx h GLU 507 N 8.17 1.15 -0.56 0.43 4.22 -1.96 -1.42 114.58 124.61 3kqx h GLU 507 Ca -0.18 -0.15 -0.08 0.00 0.08 0.00 0.00 59.36 59.03 3kqx h GLU 507 Cb 1.14 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3kqx h GLU 507 CO 0.22 0.86 0.02 0.93 -2.18 0.00 0.00 179.01 178.86 3kqx h GLU 508 N 1.14 0.95 -0.46 1.92 3.07 -1.99 -0.07 114.58 119.15 3kqx h GLU 508 Ca 0.28 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3kqx h GLU 508 Cb 0.06 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3kqx h GLU 508 CO -0.04 0.93 -0.08 1.25 -1.40 0.00 0.00 179.01 179.67 3kqx h LEU 509 N 0.88 0.87 -0.21 1.33 5.85 -1.87 -1.68 115.31 120.48 3kqx h LEU 509 Ca 0.17 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3kqx h LEU 509 Cb 0.49 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3kqx h LEU 509 CO 0.02 1.01 0.11 0.40 -0.34 0.00 0.00 178.44 179.65 3kqx h ILE 510 N 0.71 1.01 -0.50 4.05 2.04 -1.03 -1.52 117.51 122.26 3kqx h ILE 510 Ca 0.12 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.99 3kqx h ILE 510 Cb 0.61 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 3kqx h ILE 510 CO 0.04 0.04 0.04 0.78 0.00 0.00 0.00 178.15 179.05 3kqx h ASN 511 N 0.24 -0.13 -1.00 1.72 2.35 -0.96 0.85 115.58 118.65 3kqx h ASN 511 Ca 0.09 0.11 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3kqx h ASN 511 Cb 0.01 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 3kqx h ASN 511 CO -0.05 -0.04 0.64 0.11 -1.65 0.00 0.00 177.43 176.45 3kqx h LYS 512 N 0.16 1.14 -0.39 0.81 1.57 -1.03 -0.78 116.57 118.05 3kqx h LYS 512 Ca 0.26 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 3kqx h LYS 512 Cb 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3kqx h LYS 512 CO -0.39 0.75 -0.07 0.82 -0.57 0.00 0.00 179.45 180.00 3kqx h ILE 513 N 1.17 1.27 -0.43 1.86 1.08 -0.21 -1.13 117.51 121.12 3kqx h ILE 513 Ca 0.43 -1.14 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 3kqx h ILE 513 Cb 0.16 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3kqx h ILE 513 CO -0.17 0.38 0.09 -0.07 -0.69 0.00 0.00 178.15 177.69 3kqx h LEU 514 N 0.56 0.59 -0.47 1.44 3.38 -0.55 0.15 115.31 120.41 3kqx h LEU 514 Ca 0.10 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3kqx h LEU 514 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kqx h LEU 514 CO 0.03 0.60 -0.13 -0.61 0.09 0.00 0.00 178.44 178.42 3kqx h GLN 515 N 0.62 0.92 -0.28 1.13 5.75 -0.91 -1.86 115.11 120.48 3kqx h GLN 515 Ca 0.14 -0.36 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 3kqx h GLN 515 Cb 0.25 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3kqx h GLN 515 CO -0.00 1.01 -0.22 0.77 -2.65 0.00 0.00 178.83 177.74 3kqx h SER 516 N 0.76 0.52 -0.54 -0.69 0.02 -0.71 -1.25 113.55 111.66 3kqx h SER 516 Ca 0.12 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3kqx h SER 516 Cb 0.68 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 3kqx h SER 516 CO 0.05 0.75 0.24 -1.28 -1.14 0.00 0.00 176.83 175.45 3kqx h SER 517 N 0.47 0.31 -0.18 3.07 0.87 -0.26 0.10 113.55 117.94 3kqx h SER 517 Ca 0.07 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3kqx h SER 517 Cb 0.64 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3kqx h SER 517 CO 0.05 0.21 0.09 0.11 -0.53 0.00 0.00 176.83 176.76 3kqx h LYS 518 N 0.46 0.25 0.00 2.24 1.79 -0.91 -1.28 116.57 119.12 3kqx h LYS 518 Ca 0.25 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 3kqx h LYS 518 Cb 0.22 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3kqx h LYS 518 CO -0.21 0.27 -0.38 1.79 -1.08 0.00 0.00 179.45 179.84 3kqx h THR 519 N 0.17 0.69 0.00 -0.16 1.35 -1.14 -3.18 112.91 110.64 3kqx h THR 519 Ca 0.06 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3kqx h THR 519 Cb 0.10 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3kqx h THR 519 CO -0.01 0.37 -0.43 -1.54 -0.25 0.00 0.00 175.52 173.67 3kqx n SER 520 N -3.25 0.54 -1.90 5.36 3.41 0.34 -4.91 113.62 113.21 3kqx n SER 520 Ca 0.02 0.10 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 3kqx n SER 520 Cb 0.65 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 3kqx n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqx n ASN 521 N -1.83 -5.21 -4.41 4.04 3.02 -0.50 -4.86 115.26 105.52 3kqx n ASN 521 Ca 0.05 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 3kqx n ASN 521 Cb 0.39 -4.52 -0.09 0.00 -0.61 0.00 0.00 39.78 34.95 3kqx n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqx s GLU 522 N -4.20 2.94 0.40 3.52 2.02 -1.15 -4.98 118.70 117.25 3kqx s GLU 522 Ca 0.00 -1.21 -0.23 0.00 0.02 0.00 0.00 54.97 53.55 3kqx s GLU 522 Cb 0.00 -4.02 -0.09 0.00 0.10 0.00 0.00 34.13 30.12 3kqx s GLU 522 CO 0.00 -0.89 1.01 -1.25 0.02 0.00 0.00 175.26 174.15 3kqx s PRO 523 N 1.63 4.23 0.04 0.39 0.04 -1.26 -4.55 135.00 135.51 3kqx s PRO 523 Ca 0.04 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 3kqx s PRO 523 Cb -0.22 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3kqx s PRO 523 CO 0.08 -0.06 0.09 0.08 0.04 0.00 0.00 177.00 177.23 3kqx s VAL 524 N -1.79 0.13 -0.02 -0.36 1.01 -1.26 -1.66 120.40 116.46 3kqx s VAL 524 Ca 0.58 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3kqx s VAL 524 Cb -0.18 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3kqx s VAL 524 CO 0.23 -0.59 -0.04 0.86 0.00 0.00 0.00 175.10 175.56 3kqx s TRP 525 N -2.51 0.51 -0.03 5.22 -0.11 -0.03 -4.90 118.94 117.08 3kqx s TRP 525 Ca -0.06 -0.10 -0.30 0.00 1.22 0.00 0.00 56.10 56.86 3kqx s TRP 525 Cb -0.02 -0.40 -0.03 0.00 -1.50 0.00 0.00 33.47 31.52 3kqx s TRP 525 CO -0.04 -0.07 1.12 -0.46 -4.62 0.00 0.00 176.95 172.88 3kqx s TRP 526 N 0.31 3.39 0.16 5.86 -0.00 -1.26 -1.42 118.94 125.99 3kqx s TRP 526 Ca -0.03 1.40 0.10 0.00 -0.00 0.00 0.00 56.10 57.56 3kqx s TRP 526 Cb -0.07 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.04 3kqx s TRP 526 CO -0.00 -0.85 -0.18 -0.51 -0.00 0.00 0.00 176.95 175.41 3kqx s LEU 527 N 1.70 2.69 0.34 5.86 1.43 -0.01 -4.89 118.68 125.79 3kqx s LEU 527 Ca 0.54 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3kqx s LEU 527 Cb -0.24 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 3kqx s LEU 527 CO 0.24 0.13 0.68 -2.16 0.23 0.00 0.00 176.35 175.47 3kqx s PRO 528 N -2.55 3.76 -0.63 1.29 0.04 -1.26 -4.39 135.00 131.27 3kqx s PRO 528 Ca 0.21 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 3kqx s PRO 528 Cb -0.09 -2.50 0.11 0.00 0.04 0.00 0.00 34.50 32.06 3kqx s PRO 528 CO 0.12 0.10 0.74 0.42 0.04 0.00 0.00 177.00 178.42 3kqx s ILE 529 N -2.18 4.85 -0.54 0.56 1.01 -1.26 -4.83 121.20 118.81 3kqx s ILE 529 Ca 0.49 -1.10 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 3kqx s ILE 529 Cb -0.11 -4.51 0.04 0.00 0.01 0.00 0.00 42.46 37.89 3kqx s ILE 529 CO 0.28 -1.15 0.99 -0.63 0.00 0.00 0.00 174.94 174.43 3kqx s ILE 530 N 2.58 4.32 0.43 2.92 1.01 -1.26 -4.91 121.20 126.29 3kqx s ILE 530 Ca 0.13 0.48 0.31 0.00 0.00 0.00 0.00 60.65 61.56 3kqx s ILE 530 Cb -0.22 -4.56 0.33 0.00 0.01 0.00 0.00 42.46 38.01 3kqx s ILE 530 CO 0.05 -1.12 2.12 0.78 0.00 0.00 0.00 174.94 176.76 3kqx h ASN 531 N 9.33 0.00 -0.20 3.58 2.35 -2.00 -2.22 115.58 126.42 3kqx h ASN 531 Ca -0.26 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.55 3kqx h ASN 531 Cb 1.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3kqx h ASN 531 CO 1.10 0.08 0.24 -0.08 -1.65 0.00 0.00 177.43 177.12 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 0.44 114.58 118.59 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqx h GLU 532 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kqx h GLU 532 CO 0.01 0.00 -0.04 0.66 -0.73 0.00 0.00 179.01 178.91 3kqx n TYR 533 N -3.70 0.00 0.12 0.92 0.53 -0.83 -4.14 117.16 110.05 3kqx n TYR 533 Ca 0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.94 3kqx n TYR 533 Cb 0.36 -0.34 0.45 0.00 -1.03 0.00 0.00 39.34 38.79 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqx h ARG 534 N 0.07 0.26 0.00 -0.72 9.65 -1.07 -1.50 114.38 121.08 3kqx h ARG 534 Ca 0.00 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3kqx h ARG 534 Cb 0.37 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3kqx h ARG 534 CO 0.00 0.29 -0.07 0.00 2.80 0.00 0.00 179.97 182.99 3kqx h ALA 535 N 1.75 1.16 0.00 2.80 0.00 -1.78 -1.92 119.26 121.27 3kqx h ALA 535 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqx h ALA 535 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kqx h ALA 535 CO 0.00 0.09 0.00 -2.37 0.00 0.00 0.00 179.25 176.97 3kqx n THR 536 N -3.40 1.12 0.64 0.00 5.66 -0.56 -2.04 114.28 115.69 3kqx n THR 536 Ca -0.01 0.37 0.12 0.00 -3.05 0.00 0.00 64.05 61.48 3kqx n THR 536 Cb 0.22 -1.27 0.19 0.00 -1.55 0.00 0.00 70.33 67.92 3kqx n THR 536 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kqx n LEU 537 N -1.89 3.17 -4.55 1.09 4.77 -0.72 -4.45 117.00 114.41 3kqx n LEU 537 Ca 0.02 -1.25 -0.36 0.00 -0.03 0.00 0.00 56.01 54.38 3kqx n LEU 537 Cb 0.14 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3kqx n LEU 537 CO 0.13 0.63 1.61 0.20 -1.33 0.00 0.00 177.39 178.62 3kqx s ASN 538 N -1.69 5.15 0.34 -1.43 0.01 -0.86 0.47 114.94 116.92 3kqx s ASN 538 Ca 0.35 0.27 -0.27 0.00 -0.71 0.00 0.00 52.86 52.49 3kqx s ASN 538 Cb 0.22 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 3kqx s ASN 538 CO 0.31 -2.50 1.16 -0.55 -1.51 0.00 0.00 177.10 174.01 3kqx s SER 539 N 8.53 6.87 0.32 -1.22 0.15 -1.26 -4.84 113.70 122.26 3kqx s SER 539 Ca 0.71 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.72 3kqx s SER 539 Cb -0.12 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.10 3kqx s SER 539 CO 0.18 -0.43 1.96 0.50 1.20 0.00 0.00 173.24 176.66 3kqx h LYS 540 N 3.22 0.90 0.00 5.44 1.63 -1.97 -3.39 116.57 122.40 3kqx h LYS 540 Ca -0.48 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.08 3kqx h LYS 540 Cb 1.22 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 3kqx h LYS 540 CO 0.65 0.63 -1.58 0.66 -3.45 0.00 0.00 179.45 176.36 3kqx n TYR 541 N -4.40 0.00 -2.52 1.91 4.01 -1.26 -5.06 117.16 109.84 3kqx n TYR 541 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 3kqx n TYR 541 Cb 0.07 -0.39 0.11 0.00 -0.31 0.00 0.00 39.34 38.82 3kqx n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqx s ALA 542 N -2.20 3.57 0.22 -0.72 0.00 -1.26 -5.00 121.76 116.36 3kqx s ALA 542 Ca -0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 3kqx s ALA 542 Cb 0.04 -2.09 0.19 0.00 0.00 0.00 0.00 23.12 21.26 3kqx s ALA 542 CO 0.23 -1.52 1.78 -0.44 0.00 0.00 0.00 175.76 175.80 3kqx h ASP 543 N -0.61 1.06 -5.01 0.00 3.32 -1.77 -3.39 116.42 110.03 3kqx h ASP 543 Ca -0.37 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.39 3kqx h ASP 543 Cb 1.27 -0.28 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 3kqx h ASP 543 CO 0.41 0.96 -0.29 -0.51 -1.72 0.00 0.00 179.24 178.09 3kqx s ILE 544 N -5.47 0.07 0.28 0.35 2.07 -0.74 -4.45 121.20 113.31 3kqx s ILE 544 Ca -0.12 -0.57 -0.29 0.00 -1.41 0.00 0.00 60.65 58.26 3kqx s ILE 544 Cb 0.16 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 3kqx s ILE 544 CO 0.84 -0.31 0.98 0.20 -1.91 0.00 0.00 174.94 174.74 3kqx s ASN 545 N -1.57 7.43 0.13 4.50 0.01 0.18 -0.72 114.94 124.90 3kqx s ASN 545 Ca -0.11 2.00 -0.13 0.00 -0.71 0.00 0.00 52.86 53.92 3kqx s ASN 545 Cb -0.04 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3kqx s ASN 545 CO 0.02 -0.01 1.53 -0.61 -1.51 0.00 0.00 177.10 176.52 3kqx h GLN 546 N 3.74 0.85 -5.05 -0.60 4.15 -1.58 -3.46 115.11 113.15 3kqx h GLN 546 Ca -0.46 -0.35 -0.40 0.00 0.77 0.00 0.00 58.65 58.21 3kqx h GLN 546 Cb 1.20 -0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.71 3kqx h GLN 546 CO 0.67 0.98 -0.61 0.96 -1.93 0.00 0.00 178.83 178.90 3kqx s ILE 547 N -4.71 0.86 0.13 2.39 -4.36 -1.26 -4.93 121.20 109.32 3kqx s ILE 547 Ca -0.12 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.18 3kqx s ILE 547 Cb 0.11 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.07 3kqx s ILE 547 CO 0.84 -0.02 0.43 -0.55 0.24 0.00 0.00 174.94 175.87 3kqx s SER 548 N -3.39 6.60 -0.01 4.36 0.15 -1.26 -4.77 113.70 115.38 3kqx s SER 548 Ca 0.37 0.76 0.21 0.00 0.70 0.00 0.00 55.95 57.99 3kqx s SER 548 Cb 0.08 -2.16 -0.27 0.00 -1.71 0.00 0.00 66.02 61.96 3kqx s SER 548 CO 0.14 0.09 0.54 -1.54 1.20 0.00 0.00 173.24 173.67 3kqx n SER 549 N 0.45 0.17 -0.09 5.45 3.41 -1.26 -4.72 113.62 117.03 3kqx n SER 549 Ca -0.05 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 3kqx n SER 549 Cb 0.52 1.58 -0.08 0.00 -0.26 0.00 0.00 64.21 65.98 3kqx n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqx n SER 550 N -2.40 2.27 -4.66 4.04 3.41 -1.26 -5.02 113.62 110.01 3kqx n SER 550 Ca -0.07 -0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 3kqx n SER 550 Cb 0.64 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 3kqx n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqx s VAL 551 N -2.34 4.11 -0.75 -3.33 1.01 -1.26 -4.92 120.40 112.91 3kqx s VAL 551 Ca -0.24 1.35 0.26 0.00 0.00 0.00 0.00 61.98 63.35 3kqx s VAL 551 Cb 0.07 -3.87 0.28 0.00 0.00 0.00 0.00 36.38 32.86 3kqx s VAL 551 CO 0.38 -0.12 1.79 0.29 0.00 0.00 0.00 175.10 177.44 3kqx n LYS 552 N 6.70 0.23 -1.68 2.72 5.02 -1.26 -4.52 118.16 125.37 3kqx n LYS 552 Ca 0.15 0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 56.25 3kqx n LYS 552 Cb 0.44 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 553 N -1.76 3.19 0.17 7.82 0.00 -1.26 -4.78 120.51 123.89 3kqx n ALA 553 Ca 0.06 -3.37 0.04 0.00 0.00 0.00 0.00 53.44 50.16 3kqx n ALA 553 Cb 0.41 -3.57 0.28 0.00 0.00 0.00 0.00 19.45 16.57 3kqx n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqx h SER 554 N 8.15 0.00 -0.53 0.00 4.64 -1.98 -2.16 113.55 121.66 3kqx h SER 554 Ca 0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 3kqx h SER 554 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 3kqx h SER 554 CO 1.67 0.45 0.02 0.28 -0.87 0.00 0.00 176.83 178.37 3kqx h SER 555 N 0.00 0.94 -0.10 4.97 0.02 -1.94 0.34 113.55 117.77 3kqx h SER 555 Ca -0.00 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 3kqx h SER 555 Cb 0.96 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.26 3kqx h SER 555 CO 0.06 0.99 -0.47 0.40 -1.14 0.00 0.00 176.83 176.66 3kqx h ILE 556 N 0.90 1.37 -0.45 3.27 2.04 -1.80 -2.49 117.51 120.35 3kqx h ILE 556 Ca 0.17 -1.80 0.02 0.00 1.00 0.00 0.00 64.86 64.25 3kqx h ILE 556 Cb 0.50 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 3kqx h ILE 556 CO 0.02 0.54 0.26 0.58 0.00 0.00 0.00 178.15 179.55 3kqx h VAL 557 N 0.09 1.04 -0.60 1.67 2.07 -1.26 0.03 116.25 119.29 3kqx h VAL 557 Ca -0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3kqx h VAL 557 Cb 1.11 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3kqx h VAL 557 CO 0.10 0.10 0.40 0.00 0.02 0.00 0.00 177.57 178.18 3kqx h ALA 558 N 1.20 1.65 -0.47 1.67 0.00 -0.37 -1.33 119.26 121.62 3kqx h ALA 558 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kqx h ALA 558 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kqx h ALA 558 CO -0.08 0.29 -0.02 0.77 0.00 0.00 0.00 179.25 180.21 3kqx h SER 559 N 0.73 0.83 -0.92 0.00 0.02 -0.82 -1.34 113.55 112.05 3kqx h SER 559 Ca 0.24 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3kqx h SER 559 Cb 0.04 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.29 3kqx h SER 559 CO -0.06 0.94 0.57 -0.07 -1.14 0.00 0.00 176.83 177.08 3kqx h LEU 560 N 0.69 0.89 0.42 5.07 3.38 -0.62 -0.72 115.31 124.42 3kqx h LEU 560 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kqx h LEU 560 Cb 0.53 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kqx h LEU 560 CO 0.03 0.56 -0.20 0.15 0.09 0.00 0.00 178.44 179.06 3kqx h PHE 561 N 1.02 -0.52 -0.87 1.13 3.04 -0.96 -3.07 116.94 116.71 3kqx h PHE 561 Ca 0.41 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.43 3kqx h PHE 561 Cb 0.22 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.84 3kqx h PHE 561 CO -0.02 -0.26 0.56 -0.07 -2.02 0.00 0.00 178.31 176.51 3kqx h LEU 562 N -0.69 0.80 -1.82 0.59 3.38 -1.01 -1.99 115.31 114.57 3kqx h LEU 562 Ca -0.06 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3kqx h LEU 562 Cb 0.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kqx h LEU 562 CO 0.09 0.49 0.29 0.50 0.09 0.00 0.00 178.44 179.91 3kqx h LYS 563 N 0.90 0.21 0.00 1.13 3.64 -1.09 0.14 116.57 121.49 3kqx h LYS 563 Ca 0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3kqx h LYS 563 Cb 0.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3kqx h LYS 563 CO -0.16 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 3kqx n GLU 564 N -4.46 0.15 -0.31 1.90 -0.58 -0.75 -2.52 120.64 114.06 3kqx n GLU 564 Ca 0.06 0.50 0.11 0.00 -0.42 0.00 0.00 57.16 57.41 3kqx n GLU 564 Cb 0.34 -1.86 0.29 0.00 -0.57 0.00 0.00 31.44 29.64 3kqx n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqx n PHE 565 N -2.16 0.82 -4.00 -0.32 3.01 0.48 -4.82 117.46 110.47 3kqx n PHE 565 Ca 0.01 -0.41 -0.30 0.00 1.01 0.00 0.00 57.45 57.75 3kqx n PHE 565 Cb 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.45 3kqx n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqx s VAL 566 N -1.18 1.64 -0.18 -4.37 1.01 -1.05 -3.89 120.40 112.39 3kqx s VAL 566 Ca 0.44 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3kqx s VAL 566 Cb 0.23 -1.71 -0.21 0.00 0.00 0.00 0.00 36.38 34.69 3kqx s VAL 566 CO 0.31 0.18 0.27 -0.61 0.00 0.00 0.00 175.10 175.25 3kqx h GLN 567 N 7.98 0.09 -0.28 2.72 5.75 -1.87 -3.44 115.11 126.05 3kqx h GLN 567 Ca -0.28 -0.15 -0.22 0.00 -0.15 0.00 0.00 58.65 57.85 3kqx h GLN 567 Cb 1.10 0.06 -0.28 0.00 1.07 0.00 0.00 27.48 29.42 3kqx h GLN 567 CO 0.48 1.07 -0.74 -1.71 -2.65 0.00 0.00 178.83 175.28 3kqx n ASN 568 N -4.13 0.11 -4.03 -0.69 5.15 -1.26 -5.09 115.26 105.32 3kqx n ASN 568 Ca -0.32 -2.19 -0.13 0.00 -0.60 0.00 0.00 54.58 51.34 3kqx n ASN 568 Cb 0.80 0.09 -0.12 0.00 -0.53 0.00 0.00 39.78 40.01 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqx s THR 569 N -1.91 0.47 0.15 -0.44 2.01 -1.26 -5.12 115.64 109.55 3kqx s THR 569 Ca 0.20 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 3kqx s THR 569 Cb 0.39 -0.51 -0.10 0.00 0.01 0.00 0.00 72.50 72.29 3kqx s THR 569 CO -0.07 -0.27 1.54 0.00 -0.69 0.00 0.00 174.62 175.14 3kqx s ALA 570 N -1.06 3.74 -0.02 7.40 0.00 -1.25 -4.94 121.76 125.63 3kqx s ALA 570 Ca -0.07 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 3kqx s ALA 570 Cb -0.08 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3kqx s ALA 570 CO 0.00 -0.77 0.08 -0.46 0.00 0.00 0.00 175.76 174.61 3kqx s TRP 571 N 1.23 -0.04 0.08 0.00 -0.00 -1.26 -1.63 118.94 117.32 3kqx s TRP 571 Ca 0.69 0.10 0.02 0.00 -0.00 0.00 0.00 56.10 56.91 3kqx s TRP 571 Cb -0.42 -0.00 -0.04 0.00 -0.00 0.00 0.00 33.47 33.01 3kqx s TRP 571 CO 0.31 -0.09 -0.06 0.00 -0.00 0.00 0.00 176.95 177.11 3kqx s ALA 572 N -0.28 0.85 -0.08 5.86 0.00 -0.44 -1.32 121.76 126.35 3kqx s ALA 572 Ca -0.03 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 3kqx s ALA 572 Cb -0.02 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3kqx s ALA 572 CO 0.00 -0.20 -0.05 -1.58 0.00 0.00 0.00 175.76 173.93 3kqx s HIS 573 N -3.20 1.06 -0.31 0.00 2.46 0.75 -0.92 115.29 115.14 3kqx s HIS 573 Ca 0.07 -0.42 -0.04 0.00 0.47 0.00 0.00 55.06 55.14 3kqx s HIS 573 Cb 0.02 -0.95 0.04 0.00 -0.13 0.00 0.00 32.58 31.56 3kqx s HIS 573 CO -0.04 -0.35 0.05 0.42 -2.47 0.00 0.00 174.74 172.34 3kqx s ILE 574 N 1.47 3.43 -0.40 0.89 1.01 -0.18 -0.96 121.20 126.46 3kqx s ILE 574 Ca -0.01 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.33 3kqx s ILE 574 Cb -0.13 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3kqx s ILE 574 CO -0.04 -0.07 0.43 -0.62 0.00 0.00 0.00 174.94 174.64 3kqx s ASP 575 N 1.36 6.20 -0.15 3.58 -1.08 -0.04 -1.19 116.67 125.35 3kqx s ASP 575 Ca -0.02 -0.56 0.16 0.00 -0.52 0.00 0.00 52.55 51.61 3kqx s ASP 575 Cb -0.19 -2.22 0.51 0.00 -1.46 0.00 0.00 42.92 39.56 3kqx s ASP 575 CO 0.01 -0.53 1.42 2.30 0.52 0.00 0.00 175.17 178.88 3kqx n ILE 576 N 5.40 2.08 -0.31 4.11 -5.35 0.05 -2.65 119.36 122.69 3kqx n ILE 576 Ca -0.07 -1.69 0.14 0.00 -0.27 0.00 0.00 62.75 60.85 3kqx n ILE 576 Cb 0.48 -0.12 0.37 0.00 -1.74 0.00 0.00 39.64 38.63 3kqx n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqx h ALA 577 N 2.01 1.83 0.00 -1.28 0.00 -1.83 -1.40 119.26 118.59 3kqx h ALA 577 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3kqx h ALA 577 Cb 1.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3kqx h ALA 577 CO 0.20 -0.14 -1.26 0.78 0.00 0.00 0.00 179.25 178.83 3kqx h GLY 578 N 0.69 0.00 -0.46 0.00 0.00 -1.82 -3.39 103.07 98.10 3kqx h GLY 578 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3kqx h GLY 578 CO -0.28 0.00 -0.74 3.33 0.00 0.00 0.00 176.54 178.85 3kqx n VAL 579 N -3.19 0.00 -0.03 4.60 0.24 -0.97 -4.33 118.33 114.65 3kqx n VAL 579 Ca -0.07 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 3kqx n VAL 579 Cb 0.96 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.45 3kqx n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqx h SER 580 N 1.11 0.80 -3.25 -1.34 0.87 -1.47 -3.44 113.55 106.84 3kqx h SER 580 Ca 0.00 -0.44 -0.61 0.00 -1.23 0.00 0.00 61.79 59.51 3kqx h SER 580 Cb 0.60 -0.23 -0.13 0.00 -0.44 0.00 0.00 62.40 62.20 3kqx h SER 580 CO 0.00 1.20 -0.52 0.86 -0.53 0.00 0.00 176.83 177.84 3kqx s TRP 581 N -4.01 3.36 -0.67 2.24 -0.11 -1.26 -0.94 118.94 117.55 3kqx s TRP 581 Ca -0.09 0.24 -0.24 0.00 1.22 0.00 0.00 56.10 57.24 3kqx s TRP 581 Cb 0.10 -2.11 0.06 0.00 -1.50 0.00 0.00 33.47 30.02 3kqx s TRP 581 CO 0.87 0.26 1.03 1.21 -4.62 0.00 0.00 176.95 175.70 3kqx s ASN 582 N 0.28 6.19 0.27 5.86 3.84 0.11 -4.87 114.94 126.61 3kqx s ASN 582 Ca 0.07 -0.81 0.06 0.00 0.21 0.00 0.00 52.86 52.38 3kqx s ASN 582 Cb -0.12 -2.45 0.36 0.00 -0.55 0.00 0.00 41.25 38.49 3kqx s ASN 582 CO -0.01 -1.51 1.63 -0.26 -2.79 0.00 0.00 177.10 174.16 3kqx h PHE 583 N 9.64 0.26 -0.00 0.43 -1.00 -1.97 0.19 116.94 124.50 3kqx h PHE 583 Ca -0.28 -0.09 -0.25 0.00 2.81 0.00 0.00 57.97 60.16 3kqx h PHE 583 Cb 1.07 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.59 3kqx h PHE 583 CO 1.00 0.69 -1.00 -0.22 -1.61 0.00 0.00 178.31 177.17 3kqx h LYS 584 N 0.17 0.57 -0.00 1.51 1.63 -1.94 -3.19 116.57 115.31 3kqx h LYS 584 Ca 0.00 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 3kqx h LYS 584 Cb 0.97 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3kqx h LYS 584 CO 0.08 1.23 -0.44 0.00 -3.45 0.00 0.00 179.45 176.87 3kqx n ALA 585 N -2.60 3.44 -3.36 5.00 0.00 -1.10 -4.96 120.51 116.93 3kqx n ALA 585 Ca -0.09 -0.37 -0.18 0.00 0.00 0.00 0.00 53.44 52.80 3kqx n ALA 585 Cb 0.86 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 19.27 3kqx n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqx n ARG 586 N -1.26 -6.43 -3.68 0.00 1.74 0.63 -5.01 116.66 102.66 3kqx n ARG 586 Ca 0.07 0.74 -0.10 0.00 -0.77 0.00 0.00 57.85 57.80 3kqx n ARG 586 Cb 0.34 -5.47 -0.03 0.00 -1.02 0.00 0.00 32.46 26.28 3kqx n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqx s LYS 587 N -5.67 1.47 0.72 5.56 -2.85 -0.93 -5.03 119.74 113.01 3kqx s LYS 587 Ca 0.26 -0.78 -0.11 0.00 -1.00 0.00 0.00 55.97 54.34 3kqx s LYS 587 Cb -0.11 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.25 3kqx s LYS 587 CO 0.64 -0.65 1.07 -2.14 0.10 0.00 0.00 175.35 174.38 3kqx s PRO 588 N -3.85 2.68 0.19 1.78 0.02 -1.26 0.04 135.00 134.61 3kqx s PRO 588 Ca 0.07 1.05 0.23 0.00 0.02 0.00 0.00 61.00 62.37 3kqx s PRO 588 Cb -0.02 -1.95 0.07 0.00 0.02 0.00 0.00 34.50 32.61 3kqx s PRO 588 CO -0.03 -1.30 1.11 0.87 -0.33 0.00 0.00 177.00 177.32 3kqx h LYS 589 N -0.84 0.00 -3.02 5.54 1.57 -1.33 -3.42 116.57 115.07 3kqx h LYS 589 Ca -0.44 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.00 3kqx h LYS 589 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.54 3kqx h LYS 589 CO 0.55 0.00 -0.47 0.41 -0.57 0.00 0.00 179.45 179.37 3kqx n GLY 590 N 1.21 -0.33 3.73 3.86 0.00 -1.26 -4.92 105.19 107.48 3kqx n GLY 590 Ca 0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3kqx n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqx s PHE 591 N -2.95 2.93 0.00 1.61 5.36 -1.26 -3.33 117.98 120.34 3kqx s PHE 591 Ca 0.11 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 3kqx s PHE 591 Cb -0.05 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3kqx s PHE 591 CO 0.13 -3.51 0.00 0.41 -1.46 0.00 0.00 175.22 170.80 3kqx n GLY 592 N 3.03 2.03 0.19 13.12 0.00 -1.26 -4.71 105.19 117.59 3kqx n GLY 592 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3kqx n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 593 N 0.00 0.60 -0.43 1.61 2.07 -1.75 -0.76 116.25 117.59 3kqx h VAL 593 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3kqx h VAL 593 Cb 0.00 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kqx h VAL 593 CO 0.00 0.00 -0.24 0.03 0.02 0.00 0.00 177.57 177.38 3kqx h ARG 594 N -0.19 0.93 0.12 1.57 3.08 -1.91 -1.08 114.38 116.90 3kqx h ARG 594 Ca 0.09 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.73 3kqx h ARG 594 Cb 0.32 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3kqx h ARG 594 CO -0.23 1.08 -0.19 1.25 -1.07 0.00 0.00 179.97 180.81 3kqx h LEU 595 N 0.76 -0.52 -1.21 3.04 5.85 -1.84 -0.21 115.31 121.17 3kqx h LEU 595 Ca 0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kqx h LEU 595 Cb 0.82 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3kqx h LEU 595 CO 0.07 -0.27 0.38 -0.07 -0.34 0.00 0.00 178.44 178.21 3kqx h LEU 596 N -0.37 0.82 -0.25 2.25 3.38 -1.07 -1.86 115.31 118.22 3kqx h LEU 596 Ca 0.02 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3kqx h LEU 596 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kqx h LEU 596 CO -0.09 0.65 -0.40 0.74 0.09 0.00 0.00 178.44 179.43 3kqx h THR 597 N 0.94 1.31 -0.95 0.22 2.02 -0.84 -1.54 112.91 114.07 3kqx h THR 597 Ca 0.24 -1.61 0.05 0.00 0.77 0.00 0.00 66.41 65.87 3kqx h THR 597 Cb 0.01 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 3kqx h THR 597 CO -0.04 0.51 0.61 -0.33 0.37 0.00 0.00 175.52 176.64 3kqx h GLU 598 N 0.44 1.10 -0.25 6.66 4.39 -0.98 -0.65 114.58 125.29 3kqx h GLU 598 Ca 0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kqx h GLU 598 Cb 1.00 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3kqx h GLU 598 CO 0.09 0.73 0.16 0.35 -1.16 0.00 0.00 179.01 179.18 3kqx h PHE 599 N 1.14 0.31 -0.25 4.33 3.57 -1.11 -0.23 116.94 124.68 3kqx h PHE 599 Ca 0.40 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 3kqx h PHE 599 Cb 0.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3kqx h PHE 599 CO -0.01 0.19 -0.46 -0.39 -2.23 0.00 0.00 178.31 175.41 3kqx h VAL 600 N 0.33 1.30 -0.00 1.41 -1.51 -0.95 -2.28 116.25 114.55 3kqx h VAL 600 Ca 0.09 -1.66 -0.12 0.00 -1.23 0.00 0.00 66.70 63.78 3kqx h VAL 600 Cb -0.04 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 3kqx h VAL 600 CO -0.02 0.53 -0.56 -0.07 -1.23 0.00 0.00 177.57 176.22 3kqx h LEU 601 N 0.53 0.01 0.00 4.19 4.07 -1.00 -3.16 115.31 119.95 3kqx h LEU 601 Ca 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3kqx h LEU 601 Cb 1.01 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3kqx h LEU 601 CO 0.09 0.57 -0.96 0.59 -1.08 0.00 0.00 178.44 177.65 3kqx n ASN 602 N -3.87 0.64 -0.77 -0.43 3.02 -0.11 -5.08 115.26 108.66 3kqx n ASN 602 Ca -0.01 -0.34 0.13 0.00 -0.03 0.00 0.00 54.58 54.32 3kqx n ASN 602 Cb 0.57 0.77 0.27 0.00 -0.61 0.00 0.00 39.78 40.78 3kqx n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74