#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 5.54 0.12 0.00 0.01 -1.26 -5.08 113.70 113.02 3kqx s SER 86 Ca 0.00 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 3kqx s SER 86 Cb 0.00 -1.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.08 3kqx s SER 86 CO 0.00 -0.36 1.06 -1.61 0.41 0.00 0.00 173.24 172.74 3kqx s GLU 87 N -4.05 4.59 -0.21 12.44 0.41 -1.26 -4.96 118.70 125.66 3kqx s GLU 87 Ca 0.42 1.62 -0.29 0.00 -0.41 0.00 0.00 54.97 56.31 3kqx s GLU 87 Cb -0.07 -3.34 0.01 0.00 -1.78 0.00 0.00 34.13 28.95 3kqx s GLU 87 CO 0.28 0.04 1.02 0.08 -0.49 0.00 0.00 175.26 176.19 3kqx s VAL 88 N 0.18 4.71 0.61 2.63 1.01 -1.26 -5.01 120.40 123.26 3kqx s VAL 88 Ca 0.51 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 64.32 3kqx s VAL 88 Cb -0.27 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3kqx s VAL 88 CO 0.32 -0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.20 3kqx s PRO 89 N 3.01 3.15 0.03 2.72 0.04 -1.26 -4.98 135.00 137.71 3kqx s PRO 89 Ca 0.44 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.86 3kqx s PRO 89 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3kqx s PRO 89 CO 0.08 -0.97 -0.12 -0.65 0.04 0.00 0.00 177.00 175.38 3kqx s GLN 90 N -3.92 0.83 -0.07 4.56 -0.21 -1.26 -5.03 119.66 114.56 3kqx s GLN 90 Ca 0.66 -0.69 -0.18 0.00 0.02 0.00 0.00 55.36 55.18 3kqx s GLN 90 Cb -0.19 -0.80 -0.30 0.00 1.00 0.00 0.00 33.01 32.72 3kqx s GLN 90 CO 0.36 0.20 0.72 0.28 -2.12 0.00 0.00 175.29 174.73 3kqx h VAL 91 N 4.57 1.22 -3.27 1.09 2.07 -1.96 -3.48 116.25 116.48 3kqx h VAL 91 Ca -0.37 -2.48 -0.36 0.00 0.82 0.00 0.00 66.70 64.32 3kqx h VAL 91 Cb 1.18 2.92 -0.14 0.00 -1.52 0.00 0.00 31.29 33.72 3kqx h VAL 91 CO 0.44 0.72 -0.71 0.68 0.02 0.00 0.00 177.57 178.73 3kqx s VAL 92 N -2.47 1.27 -0.66 2.57 -7.23 -1.26 -5.04 120.40 107.57 3kqx s VAL 92 Ca -0.17 -2.09 0.16 0.00 -1.81 0.00 0.00 61.98 58.08 3kqx s VAL 92 Cb 0.03 -1.94 0.16 0.00 0.56 0.00 0.00 36.38 35.19 3kqx s VAL 92 CO 0.81 -0.67 1.50 -1.54 -0.31 0.00 0.00 175.10 174.89 3kqx n SER 93 N -0.26 0.34 -0.20 4.85 3.41 -1.26 -1.46 113.62 119.03 3kqx n SER 93 Ca -0.09 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 3kqx n SER 93 Cb 0.61 -0.67 0.34 0.00 -0.26 0.00 0.00 64.21 64.23 3kqx n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 94 N -1.90 0.95 -4.73 1.04 4.77 -1.26 -4.85 117.00 111.01 3kqx n LEU 94 Ca 0.01 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 3kqx n LEU 94 Cb 0.13 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3kqx n LEU 94 CO 0.12 0.18 1.05 -1.81 -1.33 0.00 0.00 177.39 175.61 3kqx s ASP 95 N -2.60 6.79 0.62 -1.43 1.01 -0.54 -4.97 116.67 115.56 3kqx s ASP 95 Ca 0.21 2.47 -0.15 0.00 0.71 0.00 0.00 52.55 55.79 3kqx s ASP 95 Cb 0.19 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3kqx s ASP 95 CO 0.56 -0.62 1.09 -2.16 0.21 0.00 0.00 175.17 174.24 3kqx s PRO 96 N 0.16 3.06 -0.01 8.23 0.04 -1.26 -4.98 135.00 140.24 3kqx s PRO 96 Ca 0.60 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.96 3kqx s PRO 96 Cb -0.38 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.18 3kqx s PRO 96 CO 0.37 -1.03 0.93 0.25 0.04 0.00 0.00 177.00 177.56 3kqx n THR 97 N -2.21 0.88 -3.44 1.26 -2.24 -1.26 -4.84 114.28 102.43 3kqx n THR 97 Ca 0.10 -0.89 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 3kqx n THR 97 Cb 0.52 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.93 -0.55 -0.12 3.42 1.04 -1.26 -4.74 113.70 110.56 3kqx s SER 98 Ca 0.01 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.14 3kqx s SER 98 Cb 0.01 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 3kqx s SER 98 CO 0.00 -0.98 0.95 -0.63 0.98 0.00 0.00 173.24 173.57 3kqx s ILE 99 N -3.76 4.81 0.21 -1.02 1.01 -1.25 -4.86 121.20 116.34 3kqx s ILE 99 Ca 0.01 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 3kqx s ILE 99 Cb -0.01 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3kqx s ILE 99 CO -0.12 0.01 1.31 -2.16 0.00 0.00 0.00 174.94 173.98 3kqx s PRO 100 N 2.05 4.38 -0.06 2.79 0.04 -1.26 -5.02 135.00 137.92 3kqx s PRO 100 Ca 0.45 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.58 3kqx s PRO 100 Cb -0.18 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3kqx s PRO 100 CO 0.16 -0.25 -0.08 0.42 0.04 0.00 0.00 177.00 177.29 3kqx s ILE 101 N 0.03 0.82 -0.30 0.56 -1.09 -1.26 -4.97 121.20 114.99 3kqx s ILE 101 Ca 0.56 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.56 3kqx s ILE 101 Cb -0.37 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 3kqx s ILE 101 CO 0.39 0.29 0.34 -0.70 -1.23 0.00 0.00 174.94 174.03 3kqx s GLU 102 N 0.89 3.83 -0.24 2.79 2.12 -1.26 -4.94 118.70 121.90 3kqx s GLU 102 Ca -0.11 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 3kqx s GLU 102 Cb -0.15 -3.71 -0.17 0.00 0.26 0.00 0.00 34.13 30.36 3kqx s GLU 102 CO 0.01 -0.35 -0.11 0.66 -0.54 0.00 0.00 175.26 174.92 3kqx n TYR 103 N 5.31 0.35 -2.82 5.30 4.02 -1.26 -4.81 117.16 123.24 3kqx n TYR 103 Ca -0.10 0.10 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 3kqx n TYR 103 Cb 0.50 -1.04 -0.03 0.00 -0.02 0.00 0.00 39.34 38.75 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 -6.97 6.34 0.36 7.72 0.01 -1.26 -5.02 114.94 116.13 3kqx s ASN 104 Ca -0.33 -1.32 0.04 0.00 -0.71 0.00 0.00 52.86 50.54 3kqx s ASN 104 Cb 0.10 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 3kqx s ASN 104 CO 0.59 -1.36 0.53 0.42 -1.51 0.00 0.00 177.10 175.76 3kqx s THR 105 N 3.86 4.25 0.52 1.60 -4.23 -1.26 -4.98 115.64 115.40 3kqx s THR 105 Ca 0.29 -0.81 0.31 0.00 -1.18 0.00 0.00 61.69 60.30 3kqx s THR 105 Cb -0.11 -3.51 0.35 0.00 1.34 0.00 0.00 72.50 70.57 3kqx s THR 105 CO 0.02 -0.26 2.20 -0.65 -0.54 0.00 0.00 174.62 175.40 3kqx h PRO 106 N 0.76 0.00 -0.30 3.99 0.11 -2.00 -1.34 132.00 133.22 3kqx h PRO 106 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3kqx h PRO 106 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3kqx h PRO 106 CO 0.56 0.05 -0.16 0.82 -0.21 0.00 0.00 178.00 179.05 3kqx h ILE 107 N 0.00 1.24 0.00 4.15 1.08 -1.94 -2.46 117.51 119.58 3kqx h ILE 107 Ca -0.00 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 3kqx h ILE 107 Cb 0.14 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3kqx h ILE 107 CO 0.01 0.36 0.00 0.45 -0.69 0.00 0.00 178.15 178.28 3kqx h HIS 108 N 0.48 0.00 -0.00 1.37 3.86 -1.62 -2.03 115.15 117.20 3kqx h HIS 108 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3kqx h HIS 108 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3kqx h HIS 108 CO 0.02 0.00 -0.13 -0.25 0.86 0.00 0.00 177.93 178.43 3kqx n ASP 109 N -2.86 0.52 -4.67 2.45 8.00 -0.93 -4.87 116.55 114.20 3kqx n ASP 109 Ca 0.00 -0.58 -0.43 0.00 0.71 0.00 0.00 54.79 54.50 3kqx n ASP 109 Cb 0.23 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.50 4.22 -0.15 0.53 1.01 -0.77 -4.84 121.20 118.71 3kqx s ILE 110 Ca 0.28 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 3kqx s ILE 110 Cb 0.20 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3kqx s ILE 110 CO 0.49 -0.10 1.04 -0.54 0.00 0.00 0.00 174.94 175.82 3kqx s LYS 111 N 3.25 4.35 -0.19 2.79 1.02 -0.28 -4.90 119.74 125.77 3kqx s LYS 111 Ca 0.56 1.41 -0.06 0.00 0.02 0.00 0.00 55.97 57.90 3kqx s LYS 111 Cb -0.23 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 3kqx s LYS 111 CO 0.17 -0.46 0.04 0.08 -0.92 0.00 0.00 175.35 174.26 3kqx s VAL 112 N 2.53 4.44 -0.08 3.17 1.01 -1.26 -0.50 120.40 129.71 3kqx s VAL 112 Ca 0.47 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3kqx s VAL 112 Cb -0.18 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3kqx s VAL 112 CO 0.14 0.44 -0.22 -1.10 0.00 0.00 0.00 175.10 174.35 3kqx s GLN 113 N 0.66 2.72 -0.18 2.72 -1.52 -0.28 -4.97 119.66 118.81 3kqx s GLN 113 Ca 0.02 -0.82 -0.04 0.00 -1.95 0.00 0.00 55.36 52.58 3kqx s GLN 113 Cb -0.14 -2.13 -0.02 0.00 -0.22 0.00 0.00 33.01 30.51 3kqx s GLN 113 CO 0.02 0.21 -0.04 0.08 -0.25 0.00 0.00 175.29 175.31 3kqx s VAL 114 N 0.26 3.68 0.14 1.09 1.01 -1.26 -0.82 120.40 124.51 3kqx s VAL 114 Ca -0.14 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.52 3kqx s VAL 114 Cb -0.17 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3kqx s VAL 114 CO 0.07 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.09 3kqx s TYR 115 N 0.78 2.10 -0.08 5.22 1.51 0.14 -4.96 117.35 122.06 3kqx s TYR 115 Ca -0.01 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 3kqx s TYR 115 Cb -0.15 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 3kqx s TYR 115 CO 0.02 0.34 0.88 0.34 -1.11 0.00 0.00 175.55 176.01 3kqx s ASP 116 N -2.25 7.14 0.61 2.29 -1.08 -1.26 -1.47 116.67 120.65 3kqx s ASP 116 Ca 0.14 1.39 0.31 0.00 -0.52 0.00 0.00 52.55 53.87 3kqx s ASP 116 Cb -0.09 -2.50 1.79 0.00 -1.46 0.00 0.00 42.92 40.67 3kqx s ASP 116 CO 0.07 -0.30 2.16 0.40 0.52 0.00 0.00 175.17 178.02 3kqx h ILE 117 N 4.95 0.39 -0.25 4.11 2.04 -1.73 -2.52 117.51 124.49 3kqx h ILE 117 Ca -0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3kqx h ILE 117 Cb 1.18 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3kqx h ILE 117 CO 0.79 0.00 0.17 0.11 0.00 0.00 0.00 178.15 179.22 3kqx h LYS 118 N 0.00 0.33 0.00 2.37 6.56 -1.92 -0.23 116.57 123.68 3kqx h LYS 118 Ca 0.05 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3kqx h LYS 118 Cb 0.33 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3kqx h LYS 118 CO -0.00 0.22 0.00 0.41 -2.06 0.00 0.00 179.45 178.02 3kqx n GLY 119 N -1.50 -0.97 0.00 3.86 0.00 -0.95 -5.00 105.19 100.63 3kqx n GLY 119 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.39 -1.73 3.69 -0.02 0.00 -0.10 -4.97 105.19 102.44 3kqx n GLY 120 Ca 0.08 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 0.61 6.99 -0.31 0.00 0.02 -1.26 -0.54 114.94 120.44 3kqx s ASN 122 Ca 0.07 1.20 -0.01 0.00 -1.02 0.00 0.00 52.86 53.10 3kqx s ASN 122 Cb -0.12 -2.34 0.10 0.00 0.02 0.00 0.00 41.25 38.91 3kqx s ASN 122 CO 0.00 0.22 0.10 -0.69 0.02 0.00 0.00 177.10 176.76 3kqx s VAL 123 N -1.22 0.76 0.00 1.60 1.01 -1.26 -5.02 120.40 116.27 3kqx s VAL 123 Ca 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3kqx s VAL 123 Cb -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3kqx s VAL 123 CO 0.19 -0.69 0.00 -0.62 0.00 0.00 0.00 175.10 173.98 3kqx n GLU 124 N 4.88 0.00 -1.43 2.72 1.02 -1.26 -4.99 120.64 121.58 3kqx n GLU 124 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 3kqx n GLU 124 Cb 0.42 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.95 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqx s GLU 125 N 3.47 1.78 3.09 3.49 1.03 -1.26 -4.57 118.70 125.73 3kqx s GLU 125 Ca 0.00 0.70 0.00 0.00 0.03 0.00 0.00 54.97 55.70 3kqx s GLU 125 Cb 0.00 -1.88 0.00 0.00 -0.80 0.00 0.00 34.13 31.45 3kqx s GLU 125 CO 0.00 -1.85 0.00 0.41 -1.33 0.00 0.00 175.26 172.49 3kqx n GLY 126 N -1.76 0.41 2.94 -3.83 0.00 -1.26 -4.76 105.19 96.93 3kqx n GLY 126 Ca 0.07 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 1.47 -0.24 0.99 2.96 -0.90 -3.92 118.68 119.04 3kqx s LEU 127 Ca 0.00 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3kqx s LEU 127 Cb 0.00 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.13 3kqx s LEU 127 CO 0.00 -0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.09 3kqx s THR 128 N 0.78 3.28 -0.14 3.68 2.01 -0.70 -0.96 115.64 123.57 3kqx s THR 128 Ca -0.12 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 3kqx s THR 128 Cb -0.15 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 3kqx s THR 128 CO 0.01 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 3kqx s ILE 129 N 1.43 3.58 -0.07 1.82 -1.09 0.14 -1.11 121.20 125.90 3kqx s ILE 129 Ca 0.03 -0.48 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 3kqx s ILE 129 Cb -0.15 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 3kqx s ILE 129 CO -0.03 0.51 0.47 -0.36 -1.23 0.00 0.00 174.94 174.31 3kqx s PHE 130 N 0.27 3.59 -0.39 3.97 0.40 0.19 -0.26 117.98 125.76 3kqx s PHE 130 Ca -0.05 0.96 -0.17 0.00 -0.60 0.00 0.00 56.93 57.06 3kqx s PHE 130 Cb -0.15 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.90 3kqx s PHE 130 CO 0.04 0.32 0.45 -0.51 0.70 0.00 0.00 175.22 176.22 3kqx s LEU 131 N 0.05 4.64 -0.01 -0.37 1.43 0.43 -1.13 118.68 123.73 3kqx s LEU 131 Ca 0.26 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3kqx s LEU 131 Cb -0.16 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 3kqx s LEU 131 CO 0.12 -0.53 -0.16 0.68 0.23 0.00 0.00 176.35 176.70 3kqx s VAL 132 N 2.22 1.25 0.42 -1.59 -7.23 -1.04 -1.12 120.40 113.31 3kqx s VAL 132 Ca 0.14 -0.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 3kqx s VAL 132 Cb -0.16 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 3kqx s VAL 132 CO 0.14 0.35 0.16 0.54 -0.31 0.00 0.00 175.10 175.98 3kqx s ASN 133 N -0.36 2.82 -0.42 4.85 2.20 -1.26 0.19 114.94 122.96 3kqx s ASN 133 Ca 0.06 -1.74 0.05 0.00 -0.94 0.00 0.00 52.86 50.29 3kqx s ASN 133 Cb -0.06 0.61 0.17 0.00 -2.00 0.00 0.00 41.25 39.97 3kqx s ASN 133 CO -0.01 -1.00 0.50 0.21 -2.94 0.00 0.00 177.10 173.87 3kqx s ASN 134 N -3.61 0.04 0.25 3.54 3.84 -0.80 -4.80 114.94 113.39 3kqx s ASN 134 Ca 0.23 -1.67 -0.30 0.00 0.21 0.00 0.00 52.86 51.33 3kqx s ASN 134 Cb 0.01 1.01 -0.10 0.00 -0.55 0.00 0.00 41.25 41.62 3kqx s ASN 134 CO 0.16 -0.18 1.48 -2.84 -2.79 0.00 0.00 177.10 172.93 3kqx s PRO 135 N 1.18 4.23 0.00 0.43 0.02 -1.26 -2.46 135.00 137.15 3kqx s PRO 135 Ca 0.22 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3kqx s PRO 135 Cb -0.07 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3kqx s PRO 135 CO -0.06 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3kqx n GLY 136 N 2.32 2.59 3.41 0.52 0.00 -0.03 -4.93 105.19 109.07 3kqx n GLY 136 Ca 0.08 0.00 -0.45 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 3.62 0.04 1.61 -2.85 -1.03 -5.03 119.74 116.11 3kqx s LYS 137 Ca 0.00 -2.06 -0.35 0.00 -1.00 0.00 0.00 55.97 52.56 3kqx s LYS 137 Cb 0.00 -4.74 -0.14 0.00 -2.06 0.00 0.00 37.83 30.89 3kqx s LYS 137 CO 0.00 -1.59 1.64 0.39 0.10 0.00 0.00 175.35 175.88 3kqx n GLU 138 N 5.55 1.90 -3.90 1.78 4.71 -1.26 -0.18 120.64 129.24 3kqx n GLU 138 Ca 0.21 0.69 -0.31 0.00 -0.01 0.00 0.00 57.16 57.74 3kqx n GLU 138 Cb 0.48 -2.45 -0.02 0.00 -1.01 0.00 0.00 31.44 28.44 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 4.34 -3.12 -4.74 1.62 4.13 -1.26 -4.98 115.26 111.25 3kqx n ASN 139 Ca 0.20 -0.76 -0.29 0.00 1.68 0.00 0.00 54.58 55.41 3kqx n ASN 139 Cb 0.26 -2.59 0.13 0.00 -1.54 0.00 0.00 39.78 36.05 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kqx s GLY 140 N -3.02 1.60 0.61 7.41 0.00 0.75 -4.54 107.32 110.13 3kqx s GLY 140 Ca 0.61 -0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 3kqx s GLY 140 CO 0.75 0.30 1.26 2.56 0.00 0.00 0.00 173.10 177.96 3kqx s PRO 141 N -5.03 2.84 0.07 2.90 0.04 -1.26 -1.67 135.00 132.88 3kqx s PRO 141 Ca 0.63 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 3kqx s PRO 141 Cb -0.17 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3kqx s PRO 141 CO 0.56 -1.35 1.24 0.08 0.04 0.00 0.00 177.00 177.57 3kqx s VAL 142 N -1.48 3.91 -0.09 -0.36 1.01 -0.12 -4.73 120.40 118.54 3kqx s VAL 142 Ca 0.79 1.36 0.01 0.00 0.00 0.00 0.00 61.98 64.14 3kqx s VAL 142 Cb -0.34 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.18 3kqx s VAL 142 CO 0.37 0.10 -0.09 -0.54 0.00 0.00 0.00 175.10 174.94 3kqx s LYS 143 N 1.13 1.51 -0.31 2.72 1.02 -1.26 -3.47 119.74 121.07 3kqx s LYS 143 Ca 0.60 -0.29 -0.22 0.00 0.02 0.00 0.00 55.97 56.08 3kqx s LYS 143 Cb -0.31 -1.45 -0.00 0.00 -0.52 0.00 0.00 37.83 35.56 3kqx s LYS 143 CO 0.29 -0.15 0.70 0.42 -0.92 0.00 0.00 175.35 175.69 3kqx s ILE 144 N 1.27 4.86 -0.12 2.17 -1.09 -1.26 -4.94 121.20 122.10 3kqx s ILE 144 Ca -0.03 0.96 0.15 0.00 -2.23 0.00 0.00 60.65 59.49 3kqx s ILE 144 Cb -0.14 -4.08 -0.24 0.00 -1.58 0.00 0.00 42.46 36.43 3kqx s ILE 144 CO -0.03 -0.22 0.36 -1.54 -1.23 0.00 0.00 174.94 172.28 3kqx n SER 145 N 6.05 0.47 -4.71 3.58 3.41 -1.26 -4.96 113.62 116.20 3kqx n SER 145 Ca 0.01 0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.47 3kqx n SER 145 Cb 0.48 0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.96 3kqx n SER 145 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kqx n SER 146 N -2.91 1.72 -4.73 4.04 7.64 -1.26 -4.97 113.62 113.15 3kqx n SER 146 Ca -0.25 0.76 -0.41 0.00 1.01 0.00 0.00 58.87 59.98 3kqx n SER 146 Cb 1.10 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 3kqx n SER 146 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3kqx s LYS 147 N -3.52 4.51 -0.15 1.43 2.20 -1.26 -4.97 119.74 117.98 3kqx s LYS 147 Ca 0.80 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 3kqx s LYS 147 Cb -0.36 -3.28 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3kqx s LYS 147 CO 0.43 -0.07 -0.16 0.08 -0.36 0.00 0.00 175.35 175.27 3kqx s VAL 148 N 0.17 2.68 -0.24 4.02 1.01 -1.26 -0.11 120.40 126.67 3kqx s VAL 148 Ca 0.53 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3kqx s VAL 148 Cb -0.31 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kqx s VAL 148 CO 0.34 0.52 2.89 0.59 0.00 0.00 0.00 175.10 179.43 3kqx n ASN 149 N 3.94 5.94 -3.66 3.32 5.03 0.29 -4.70 115.26 125.43 3kqx n ASN 149 Ca -0.19 -2.86 -0.07 0.00 0.87 0.00 0.00 54.58 52.33 3kqx n ASN 149 Cb 0.52 -1.26 -0.08 0.00 -1.02 0.00 0.00 39.78 37.94 3kqx n ASN 149 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kqx s ASP 150 N 1.05 -0.77 0.14 6.41 2.15 -1.26 -4.90 116.67 119.48 3kqx s ASP 150 Ca 0.52 1.29 -0.12 0.00 0.43 0.00 0.00 52.55 54.67 3kqx s ASP 150 Cb 0.31 1.40 -0.01 0.00 -0.30 0.00 0.00 42.92 44.32 3kqx s ASP 150 CO -0.09 -0.22 1.54 0.07 -0.17 0.00 0.00 175.17 176.30 3kqx h LYS 151 N 7.41 0.86 -0.20 4.34 2.10 -1.98 -0.49 116.57 128.61 3kqx h LYS 151 Ca -0.27 -0.34 -0.01 0.00 -2.00 0.00 0.00 60.65 58.03 3kqx h LYS 151 Cb 1.17 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 3kqx h LYS 151 CO 0.18 0.97 0.09 1.96 -2.00 0.00 0.00 179.45 180.66 3kqx h GLN 152 N 0.69 0.29 -0.50 0.07 1.08 -1.90 -0.60 115.11 114.23 3kqx h GLN 152 Ca 0.11 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.17 3kqx h GLN 152 Cb 0.67 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 3kqx h GLN 152 CO 0.05 0.31 -0.06 0.28 -0.95 0.00 0.00 178.83 178.46 3kqx h VAL 153 N 0.19 1.26 -0.65 -0.54 2.07 -1.83 -1.60 116.25 115.16 3kqx h VAL 153 Ca 0.07 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3kqx h VAL 153 Cb 0.12 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3kqx h VAL 153 CO -0.01 0.40 0.43 0.28 0.02 0.00 0.00 177.57 178.69 3kqx h SER 154 N 0.81 0.74 0.17 0.57 0.02 -0.91 -1.16 113.55 113.79 3kqx h SER 154 Ca 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kqx h SER 154 Cb 0.56 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3kqx h SER 154 CO 0.03 0.54 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.10 3kqx h GLU 155 N 0.87 -0.22 -0.95 3.45 4.57 -0.84 -2.51 114.58 118.96 3kqx h GLU 155 Ca 0.24 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.64 3kqx h GLU 155 Cb -0.10 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.43 3kqx h GLU 155 CO -0.05 -0.03 0.52 0.35 -1.18 0.00 0.00 179.01 178.62 3kqx h PHE 156 N -0.38 0.89 -0.41 0.92 3.57 -1.00 -2.64 116.94 117.89 3kqx h PHE 156 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kqx h PHE 156 Cb 0.30 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3kqx h PHE 156 CO -0.02 0.10 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 3kqx n LEU 157 N -4.89 2.98 -4.71 0.59 4.77 -0.46 -4.70 117.00 110.58 3kqx n LEU 157 Ca 0.23 -1.50 -0.31 0.00 -0.03 0.00 0.00 56.01 54.39 3kqx n LEU 157 Cb 0.62 -0.42 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 3kqx n LEU 157 CO 0.18 0.55 0.70 -1.59 -1.33 0.00 0.00 177.39 175.90 3kqx s LYS 158 N -1.66 1.50 0.30 3.23 -2.85 -1.00 -4.50 119.74 114.77 3kqx s LYS 158 Ca 0.31 1.48 -0.01 0.00 -1.00 0.00 0.00 55.97 56.75 3kqx s LYS 158 Cb 0.19 -1.79 0.47 0.00 -2.06 0.00 0.00 37.83 34.65 3kqx s LYS 158 CO 0.16 -2.26 1.96 -0.44 0.10 0.00 0.00 175.35 174.87 3kqx h ASP 159 N -1.45 0.93 -0.98 0.03 3.32 -1.92 -1.62 116.42 114.72 3kqx h ASP 159 Ca -0.44 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.69 3kqx h ASP 159 Cb 1.26 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.51 3kqx h ASP 159 CO 0.45 0.66 0.62 -0.08 -1.72 0.00 0.00 179.24 179.17 3kqx h GLU 160 N 1.09 1.01 0.07 3.56 4.81 -1.95 -1.09 114.58 122.08 3kqx h GLU 160 Ca 0.32 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 59.23 3kqx h GLU 160 Cb -0.06 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.10 3kqx h GLU 160 CO -0.08 0.67 -1.11 -0.91 -0.73 0.00 0.00 179.01 176.85 3kqx h ASN 161 N 1.04 0.56 1.19 1.04 2.35 -1.65 -3.37 115.58 116.74 3kqx h ASN 161 Ca 0.46 -0.51 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 3kqx h ASN 161 Cb 0.35 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3kqx h ASN 161 CO -0.23 1.34 -0.67 0.24 -1.65 0.00 0.00 177.43 176.46 3kqx h MET 162 N 0.18 0.00 0.00 0.81 2.86 -0.90 -3.32 114.93 114.56 3kqx h MET 162 Ca -0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3kqx h MET 162 Cb 1.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 3kqx h MET 162 CO 0.19 0.67 -0.01 1.05 1.06 0.00 0.00 176.91 179.88 3kqx h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -1.24 -0.63 114.58 118.53 3kqx h GLU 163 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3kqx h GLU 163 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3kqx h GLU 163 CO 0.09 0.01 0.00 0.36 0.07 0.00 0.00 179.01 179.54 3kqx n LYS 164 N -3.14 0.10 -4.13 1.06 0.00 -1.25 -4.63 118.16 106.18 3kqx n LYS 164 Ca -0.02 0.38 -0.26 0.00 -0.00 0.00 0.00 58.31 58.41 3kqx n LYS 164 Cb 0.17 -1.71 -0.06 0.00 -0.00 0.00 0.00 35.03 33.43 3kqx n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqx s PHE 165 N -3.19 3.04 0.36 5.58 0.08 -0.24 -5.05 117.98 118.56 3kqx s PHE 165 Ca 0.04 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.08 3kqx s PHE 165 Cb 0.08 -1.45 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 3kqx s PHE 165 CO 0.30 0.52 0.04 0.54 -0.10 0.00 0.00 175.22 176.53 3kqx s ASN 166 N -3.14 2.96 -0.04 1.36 2.20 -1.26 -0.94 114.94 116.08 3kqx s ASN 166 Ca 0.30 -1.40 0.18 0.00 -0.94 0.00 0.00 52.86 51.01 3kqx s ASN 166 Cb -0.10 -0.15 0.58 0.00 -2.00 0.00 0.00 41.25 39.58 3kqx s ASN 166 CO 0.22 -0.57 1.49 1.33 -2.94 0.00 0.00 177.10 176.62 3kqx n VAL 167 N -0.81 1.30 -1.54 3.54 0.24 -0.67 -4.74 118.33 115.65 3kqx n VAL 167 Ca -0.04 -1.10 -0.51 0.00 -2.04 0.00 0.00 64.34 60.65 3kqx n VAL 167 Cb 0.67 0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.11 0.75 -1.68 7.34 4.81 -1.26 -0.30 118.16 128.92 3kqx n LYS 168 Ca 0.22 0.27 -0.45 0.00 -0.87 0.00 0.00 58.31 57.48 3kqx n LYS 168 Cb 0.66 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.98 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 1.92 3.37 0.00 3.14 7.94 -1.26 -0.76 117.00 131.34 3kqx n LEU 169 Ca 0.17 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3kqx n LEU 169 Cb 0.21 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.69 3kqx n LEU 169 CO 0.60 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 3kqx n GLY 170 N 3.54 2.89 3.74 -3.96 0.00 -0.09 -4.94 105.19 106.37 3kqx n GLY 170 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.85 2.41 0.06 2.61 2.01 0.06 -4.77 115.64 115.16 3kqx s THR 171 Ca 0.00 0.24 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 3kqx s THR 171 Cb 0.00 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.56 3kqx s THR 171 CO 0.00 -0.07 0.43 -0.94 -0.69 0.00 0.00 174.62 173.34 3kqx s SER 172 N -1.71 -0.30 0.01 3.53 1.04 -1.26 -0.43 113.70 114.58 3kqx s SER 172 Ca 0.77 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 57.17 3kqx s SER 172 Cb -0.31 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 3kqx s SER 172 CO 0.39 -0.70 0.00 -0.54 0.98 0.00 0.00 173.24 173.37 3kqx s LYS 173 N -2.66 0.28 -0.08 4.02 -0.14 -1.14 -5.01 119.74 115.00 3kqx s LYS 173 Ca -0.04 -0.46 -0.02 0.00 -1.36 0.00 0.00 55.97 54.08 3kqx s LYS 173 Cb -0.00 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.21 3kqx s LYS 173 CO -0.04 -0.05 0.02 -1.01 -0.76 0.00 0.00 175.35 173.51 3kqx s HIS 174 N -1.17 3.20 0.08 3.18 3.76 -1.26 -2.52 115.29 120.56 3kqx s HIS 174 Ca -0.13 0.22 0.09 0.00 -0.15 0.00 0.00 55.06 55.09 3kqx s HIS 174 Cb -0.08 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 3kqx s HIS 174 CO -0.00 0.50 -0.23 -0.06 -0.85 0.00 0.00 174.74 174.10 3kqx s PHE 175 N -0.91 1.95 -0.03 1.40 0.08 0.15 -4.97 117.98 115.64 3kqx s PHE 175 Ca 0.14 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.81 3kqx s PHE 175 Cb -0.11 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3kqx s PHE 175 CO 0.03 0.19 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.80 3kqx s TYR 176 N -1.00 0.78 0.30 0.36 5.04 -1.26 -1.50 117.35 120.07 3kqx s TYR 176 Ca 0.09 -0.20 -0.20 0.00 -2.44 0.00 0.00 57.07 54.31 3kqx s TYR 176 Cb -0.10 -0.62 0.03 0.00 0.35 0.00 0.00 41.96 41.62 3kqx s TYR 176 CO 0.04 -0.13 0.73 0.00 -1.34 0.00 0.00 175.55 174.84 3kqx s MET 177 N 0.51 1.86 -0.16 4.97 0.23 -0.94 -5.01 119.30 120.77 3kqx s MET 177 Ca -0.07 -1.07 -0.05 0.00 -1.03 0.00 0.00 55.69 53.47 3kqx s MET 177 Cb -0.11 0.61 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 3kqx s MET 177 CO 0.00 -0.86 0.03 -0.06 -2.03 0.00 0.00 175.02 172.10 3kqx s PHE 178 N -3.65 3.18 0.00 3.16 0.08 -1.26 -0.53 117.98 118.96 3kqx s PHE 178 Ca 0.12 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.17 3kqx s PHE 178 Cb -0.06 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3kqx s PHE 178 CO 0.08 0.17 0.00 0.27 -0.10 0.00 0.00 175.22 175.64 3kqx n ASN 179 N 3.24 0.00 0.31 1.36 0.23 0.64 -4.73 115.26 116.32 3kqx n ASN 179 Ca -0.17 -0.96 0.18 0.00 -0.53 0.00 0.00 54.58 53.10 3kqx n ASN 179 Cb 0.53 0.00 1.01 0.00 -2.08 0.00 0.00 39.78 39.23 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 0.00 0.00 -0.62 0.53 3.32 -1.94 -2.20 116.42 115.51 3kqx h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kqx h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kqx h ASP 180 CO 0.00 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 3kqx n ASN 181 N -3.56 4.92 -1.40 6.45 3.02 -1.26 -4.92 115.26 118.52 3kqx n ASN 181 Ca -0.03 -2.56 -0.17 0.00 -0.03 0.00 0.00 54.58 51.79 3kqx n ASN 181 Cb 0.09 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.59 3kqx n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqx n LYS 182 N 0.98 -1.22 -3.64 3.52 2.85 -0.83 -5.01 118.16 114.82 3kqx n LYS 182 Ca 0.26 1.07 -0.34 0.00 -1.05 0.00 0.00 58.31 58.24 3kqx n LYS 182 Cb 0.95 -5.33 -0.05 0.00 -0.65 0.00 0.00 35.03 29.95 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqx s ASN 183 N -2.74 6.59 0.26 -5.58 0.01 -1.26 -4.82 114.94 107.38 3kqx s ASN 183 Ca 0.00 0.70 -0.30 0.00 -0.71 0.00 0.00 52.86 52.56 3kqx s ASN 183 Cb 0.00 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.42 3kqx s ASN 183 CO 0.00 0.19 1.05 -0.94 -1.51 0.00 0.00 177.10 175.89 3kqx s SER 184 N -1.80 7.39 0.05 -1.22 1.04 -1.26 -0.26 113.70 117.64 3kqx s SER 184 Ca 0.32 2.15 0.03 0.00 0.48 0.00 0.00 55.95 58.93 3kqx s SER 184 Cb -0.14 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 3kqx s SER 184 CO 0.18 -0.05 -0.09 0.68 0.98 0.00 0.00 173.24 174.94 3kqx s VAL 185 N -1.08 0.64 -0.18 5.02 -7.23 0.31 -4.88 120.40 112.99 3kqx s VAL 185 Ca 0.44 -1.14 -0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3kqx s VAL 185 Cb -0.30 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 3kqx s VAL 185 CO 0.38 -0.37 -0.05 0.00 -0.31 0.00 0.00 175.10 174.75 3kqx s ALA 186 N -1.41 2.86 0.15 1.32 0.00 -1.25 -2.21 121.76 121.22 3kqx s ALA 186 Ca -0.08 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3kqx s ALA 186 Cb -0.10 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 3kqx s ALA 186 CO 0.01 -0.07 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 3kqx s VAL 187 N 0.86 1.05 0.06 0.00 1.01 -0.56 -1.73 120.40 121.09 3kqx s VAL 187 Ca -0.01 -2.04 -0.11 0.00 0.00 0.00 0.00 61.98 59.82 3kqx s VAL 187 Cb -0.15 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.35 3kqx s VAL 187 CO 0.01 -0.68 0.52 0.61 0.00 0.00 0.00 175.10 175.56 3kqx n GLY 188 N -0.21 0.83 3.20 4.51 0.00 -0.26 0.31 105.19 113.56 3kqx n GLY 188 Ca -0.09 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.73 0.04 -0.12 1.61 1.13 -1.05 -0.64 117.35 114.60 3kqx s TYR 189 Ca 0.12 -0.31 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 3kqx s TYR 189 Cb -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 3kqx s TYR 189 CO 0.02 -0.48 -0.21 0.08 -2.51 0.00 0.00 175.55 172.44 3kqx s VAL 190 N -2.95 2.23 0.21 -3.49 1.01 -0.28 -2.87 120.40 114.26 3kqx s VAL 190 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 3kqx s VAL 190 Cb 0.01 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 3kqx s VAL 190 CO -0.06 0.55 1.24 -0.83 0.00 0.00 0.00 175.10 176.00 3kqx s GLY 191 N 0.53 2.64 -0.12 4.51 0.00 0.43 -2.49 107.32 112.82 3kqx s GLY 191 Ca -0.13 1.03 0.15 0.00 0.00 0.00 0.00 44.72 45.76 3kqx s GLY 191 CO 0.05 1.92 1.26 0.00 0.00 0.00 0.00 173.10 176.32 3kqx n GLY 193 N -0.70 -0.82 0.86 0.00 0.00 0.59 -4.55 105.19 100.56 3kqx n GLY 193 Ca 0.16 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 45.02 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 0.57 0.80 -4.38 1.61 3.41 -1.26 -1.91 113.62 112.47 3kqx n SER 194 Ca 0.00 -2.30 -0.34 0.00 -0.26 0.00 0.00 58.87 55.97 3kqx n SER 194 Cb 0.00 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 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 -0.61 3.54 0.26 -3.33 1.01 -1.26 -0.85 120.40 119.16 3kqx s VAL 195 Ca 0.20 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3kqx s VAL 195 Cb 0.22 -2.58 0.15 0.00 0.00 0.00 0.00 36.38 34.16 3kqx s VAL 195 CO -0.07 0.45 1.80 0.00 0.00 0.00 0.00 175.10 177.28 3kqx h ALA 196 N 7.56 1.15 -2.45 5.51 0.00 -1.94 -3.38 119.26 125.72 3kqx h ALA 196 Ca -0.36 -0.21 -0.73 0.00 0.00 0.00 0.00 54.91 53.61 3kqx h ALA 196 Cb 1.18 -0.23 -0.23 0.00 0.00 0.00 0.00 17.79 18.50 3kqx h ALA 196 CO 0.60 0.58 -0.38 -0.51 0.00 0.00 0.00 179.25 179.53 3kqx s ASP 197 N -6.54 6.05 0.11 0.00 1.11 -1.26 -4.63 116.67 111.50 3kqx s ASP 197 Ca -0.10 -1.22 -0.31 0.00 0.18 0.00 0.00 52.55 51.10 3kqx s ASP 197 Cb 0.15 -2.14 -0.07 0.00 1.07 0.00 0.00 42.92 41.93 3kqx s ASP 197 CO 0.81 -0.57 1.26 -0.76 1.18 0.00 0.00 175.17 177.09 3kqx s LEU 198 N 1.62 4.39 0.84 1.23 1.43 -1.26 -5.04 118.68 121.89 3kqx s LEU 198 Ca 0.04 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 3kqx s LEU 198 Cb -0.22 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.50 3kqx s LEU 198 CO 0.07 -0.50 1.14 -0.94 0.23 0.00 0.00 176.35 176.34 3kqx s SER 199 N 0.81 4.20 0.24 2.29 1.04 -1.26 -4.85 113.70 116.17 3kqx s SER 199 Ca 0.59 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 3kqx s SER 199 Cb -0.33 -1.61 0.46 0.00 0.10 0.00 0.00 66.02 64.64 3kqx s SER 199 CO 0.32 -2.12 1.70 -0.08 0.98 0.00 0.00 173.24 174.03 3kqx h GLU 200 N -1.20 0.30 -0.38 4.02 4.22 -1.96 -1.83 114.58 117.75 3kqx h GLU 200 Ca -0.48 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 58.82 3kqx h GLU 200 Cb 1.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3kqx h GLU 200 CO 0.63 0.20 -0.26 0.00 -2.18 0.00 0.00 179.01 177.40 3kqx h ALA 201 N 1.59 0.82 -0.14 2.92 0.00 -1.94 -1.76 119.26 120.75 3kqx h ALA 201 Ca 0.41 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kqx h ALA 201 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kqx h ALA 201 CO -0.48 0.64 0.07 -0.44 0.00 0.00 0.00 179.25 179.05 3kqx h ASP 202 N 0.68 0.17 -0.68 0.00 3.32 -1.86 -2.63 116.42 115.42 3kqx h ASP 202 Ca 0.09 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3kqx h ASP 202 Cb 0.79 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 3kqx h ASP 202 CO 0.06 0.21 0.32 -0.03 -1.72 0.00 0.00 179.24 178.09 3kqx h MET 203 N 0.12 1.01 -0.43 3.56 4.05 -1.23 -1.44 114.93 120.57 3kqx h MET 203 Ca 0.05 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 3kqx h MET 203 Cb 0.08 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 3kqx h MET 203 CO -0.01 0.79 0.17 -0.22 0.23 0.00 0.00 176.91 177.87 3kqx h LYS 204 N 1.00 0.61 -0.45 0.39 3.64 -1.20 -0.91 116.57 119.65 3kqx h LYS 204 Ca 0.24 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3kqx h LYS 204 Cb 0.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kqx h LYS 204 CO -0.03 0.51 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.49 3kqx h ARG 205 N 0.61 0.86 -0.69 1.90 9.65 -0.92 0.38 114.38 126.16 3kqx h ARG 205 Ca 0.15 -0.31 -0.04 0.00 -1.10 0.00 0.00 59.98 58.67 3kqx h ARG 205 Cb 0.13 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 3kqx h ARG 205 CO -0.01 0.95 0.27 0.28 2.80 0.00 0.00 179.97 184.26 3kqx h VAL 206 N 0.70 1.24 -0.48 0.20 2.07 -0.87 -2.44 116.25 116.67 3kqx h VAL 206 Ca 0.12 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 3kqx h VAL 206 Cb 0.61 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kqx h VAL 206 CO 0.04 0.31 -0.05 0.58 0.02 0.00 0.00 177.57 178.47 3kqx h VAL 207 N 0.98 1.27 -0.24 2.57 2.07 -0.83 -1.80 116.25 120.26 3kqx h VAL 207 Ca 0.23 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3kqx h VAL 207 Cb 0.21 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3kqx h VAL 207 CO -0.02 0.40 0.01 -0.07 0.02 0.00 0.00 177.57 177.91 3kqx h LEU 208 N 0.73 0.33 -0.22 2.57 3.38 -0.81 0.10 115.31 121.39 3kqx h LEU 208 Ca 0.13 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3kqx h LEU 208 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kqx h LEU 208 CO 0.03 0.38 -0.20 0.28 0.09 0.00 0.00 178.44 179.03 3kqx h SER 209 N 0.35 0.56 -0.91 -0.43 0.02 -1.20 -2.00 113.55 109.95 3kqx h SER 209 Ca 0.08 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3kqx h SER 209 Cb 0.23 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3kqx h SER 209 CO 0.00 0.91 0.55 0.25 -1.14 0.00 0.00 176.83 177.40 3kqx h LEU 210 N 0.22 1.09 -1.04 5.07 5.85 -0.70 -2.57 115.31 123.22 3kqx h LEU 210 Ca 0.04 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3kqx h LEU 210 Cb 0.74 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3kqx h LEU 210 CO 0.05 0.83 -0.46 0.58 -0.34 0.00 0.00 178.44 179.10 3kqx h VAL 211 N 1.25 1.26 0.00 1.05 2.07 -0.60 -1.61 116.25 119.67 3kqx h VAL 211 Ca 0.33 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 3kqx h VAL 211 Cb -0.06 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3kqx h VAL 211 CO -0.06 0.45 -0.18 0.71 0.02 0.00 0.00 177.57 178.51 3kqx h THR 212 N 0.00 0.59 0.00 2.57 1.35 -0.96 -1.22 112.91 115.23 3kqx h THR 212 Ca -0.00 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 64.95 3kqx h THR 212 Cb 0.85 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3kqx h THR 212 CO 0.06 0.17 -0.38 0.24 -0.25 0.00 0.00 175.52 175.37 3kqx h MET 213 N 0.00 0.00 0.13 4.72 2.07 -1.10 -3.28 114.93 117.47 3kqx h MET 213 Ca -0.00 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.32 3kqx h MET 213 Cb 0.53 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.25 3kqx h MET 213 CO 0.02 0.38 -1.53 -0.07 1.07 0.00 0.00 176.91 176.78 3kqx h LEU 214 N 0.00 0.43 -9.99 1.22 3.38 -1.05 -3.43 115.31 105.87 3kqx h LEU 214 Ca -0.00 -0.58 -0.51 0.00 0.09 0.00 0.00 57.88 56.88 3kqx h LEU 214 Cb 1.00 -0.14 0.06 0.00 0.09 0.00 0.00 40.66 41.67 3kqx h LEU 214 CO 0.05 1.48 0.50 -1.00 0.09 0.00 0.00 178.44 179.56 3kqx s HIS 215 N -2.62 2.89 -1.72 1.13 3.76 -0.54 -3.34 115.29 114.85 3kqx s HIS 215 Ca -0.09 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 3kqx s HIS 215 Cb 0.07 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.35 3kqx s HIS 215 CO 0.86 -1.54 0.00 -0.25 -0.85 0.00 0.00 174.74 172.95 3kqx n ASP 216 N -0.37 -5.59 -3.46 1.40 8.00 -1.26 -4.94 116.55 110.32 3kqx n ASP 216 Ca 0.07 0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 3kqx n ASP 216 Cb 0.47 -4.64 -0.12 0.00 -0.02 0.00 0.00 41.12 36.81 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kqx s ASN 217 N -2.20 1.27 -0.59 -2.24 3.84 -1.21 -5.09 114.94 108.71 3kqx s ASN 217 Ca 0.00 -0.22 -0.26 0.00 0.21 0.00 0.00 52.86 52.59 3kqx s ASN 217 Cb 0.00 0.49 -0.03 0.00 -0.55 0.00 0.00 41.25 41.16 3kqx s ASN 217 CO 0.00 -0.33 1.95 -0.54 -2.79 0.00 0.00 177.10 175.39 3kqx s LYS 218 N 2.36 2.55 0.01 0.43 1.02 -1.26 -4.92 119.74 119.93 3kqx s LYS 218 Ca 0.08 0.75 0.08 0.00 0.02 0.00 0.00 55.97 56.90 3kqx s LYS 218 Cb -0.16 -4.42 -0.02 0.00 -0.52 0.00 0.00 37.83 32.71 3kqx s LYS 218 CO -0.15 -2.81 -0.24 -0.51 -0.92 0.00 0.00 175.35 170.72 3kqx s LEU 219 N 9.56 2.10 0.04 3.17 1.43 -1.26 -5.03 118.68 128.69 3kqx s LEU 219 Ca 0.72 -0.50 0.19 0.00 -1.03 0.00 0.00 54.13 53.51 3kqx s LEU 219 Cb -0.13 -1.22 -0.16 0.00 0.03 0.00 0.00 46.19 44.71 3kqx s LEU 219 CO 0.22 0.27 0.72 -1.54 0.23 0.00 0.00 176.35 176.24 3kqx n SER 220 N 2.17 0.62 -3.84 2.29 3.41 -1.26 -3.60 113.62 113.41 3kqx n SER 220 Ca -0.16 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.59 3kqx n SER 220 Cb 0.52 0.60 -0.12 0.00 -0.26 0.00 0.00 64.21 64.95 3kqx n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqx s LYS 221 N -3.05 0.23 -0.03 4.33 2.20 -1.26 -0.94 119.74 121.22 3kqx s LYS 221 Ca -0.04 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.64 3kqx s LYS 221 Cb 0.09 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 3kqx s LYS 221 CO 0.83 -0.04 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.42 3kqx s LEU 222 N -0.32 1.97 -0.10 5.43 2.96 -0.80 -2.11 118.68 125.70 3kqx s LEU 222 Ca -0.04 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3kqx s LEU 222 Cb -0.03 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3kqx s LEU 222 CO 0.00 0.18 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.13 3kqx s THR 223 N -0.14 1.77 -0.16 3.68 2.01 -0.14 -0.57 115.64 122.10 3kqx s THR 223 Ca 0.00 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 3kqx s THR 223 Cb -0.10 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 3kqx s THR 223 CO 0.01 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 3kqx s VAL 224 N 0.61 3.23 -0.25 3.82 1.01 0.43 0.26 120.40 129.52 3kqx s VAL 224 Ca -0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kqx s VAL 224 Cb -0.17 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kqx s VAL 224 CO 0.04 0.50 0.04 -0.69 0.00 0.00 0.00 175.10 174.99 3kqx s VAL 225 N 0.63 4.05 -0.47 2.92 1.01 0.65 -1.04 120.40 128.14 3kqx s VAL 225 Ca -0.06 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 3kqx s VAL 225 Cb -0.15 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.36 3kqx s VAL 225 CO 0.03 0.33 0.67 -0.36 0.00 0.00 0.00 175.10 175.77 3kqx s PHE 226 N 1.57 3.03 -0.35 5.22 0.40 -0.42 -0.42 117.98 127.00 3kqx s PHE 226 Ca 0.06 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 3kqx s PHE 226 Cb -0.15 -3.48 0.54 0.00 0.51 0.00 0.00 43.02 40.44 3kqx s PHE 226 CO 0.02 -0.97 1.60 0.39 0.70 0.00 0.00 175.22 176.96 3kqx n GLU 227 N 6.37 2.07 -4.31 0.44 1.02 -0.27 -4.70 120.64 121.26 3kqx n GLU 227 Ca -0.03 -3.21 -0.16 0.00 -0.02 0.00 0.00 57.16 53.74 3kqx n GLU 227 Cb 0.47 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 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 -3.43 1.07 -0.17 -3.67 -4.36 -1.24 -4.40 121.20 105.01 3kqx s ILE 228 Ca 0.49 -2.04 -0.17 0.00 -0.26 0.00 0.00 60.65 58.67 3kqx s ILE 228 Cb 0.43 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 3kqx s ILE 228 CO 0.02 -0.45 0.46 0.20 0.24 0.00 0.00 174.94 175.41 3kqx s ASN 229 N -3.26 6.55 0.02 4.36 0.01 -1.26 -5.02 114.94 116.34 3kqx s ASN 229 Ca 0.25 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.06 3kqx s ASN 229 Cb 0.05 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 3kqx s ASN 229 CO 0.06 -0.08 -0.04 0.68 -1.51 0.00 0.00 177.10 176.21 3kqx s VAL 230 N 1.17 0.25 0.84 1.60 -7.23 -1.26 -4.80 120.40 110.96 3kqx s VAL 230 Ca 0.23 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3kqx s VAL 230 Cb -0.15 -0.34 0.13 0.00 0.56 0.00 0.00 36.38 36.58 3kqx s VAL 230 CO 0.09 -0.36 1.18 1.51 -0.31 0.00 0.00 175.10 177.21 3kqx s ASP 231 N -1.22 4.03 0.31 4.85 1.47 -1.26 -4.80 116.67 120.05 3kqx s ASP 231 Ca -0.11 0.40 -0.01 0.00 1.18 0.00 0.00 52.55 54.01 3kqx s ASP 231 Cb -0.08 -0.74 0.49 0.00 -0.34 0.00 0.00 42.92 42.24 3kqx s ASP 231 CO -0.00 -2.15 1.97 0.11 0.68 0.00 0.00 175.17 175.78 3kqx h LYS 232 N -1.13 1.03 -0.23 2.11 1.57 -1.99 -0.55 116.57 117.39 3kqx h LYS 232 Ca -0.44 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.10 3kqx h LYS 232 Cb 1.28 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3kqx h LYS 232 CO 0.51 0.68 -0.57 -0.91 -0.57 0.00 0.00 179.45 178.60 3kqx h ASN 233 N 1.07 0.79 -0.21 0.86 2.35 -1.93 -1.71 115.58 116.80 3kqx h ASN 233 Ca 0.30 -0.43 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 3kqx h ASN 233 Cb -0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3kqx h ASN 233 CO -0.07 1.19 -0.35 0.25 -1.65 0.00 0.00 177.43 176.80 3kqx h LEU 234 N 0.54 0.77 -0.31 1.61 5.85 -1.83 -0.36 115.31 121.58 3kqx h LEU 234 Ca 0.01 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3kqx h LEU 234 Cb 1.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3kqx h LEU 234 CO 0.12 1.04 0.18 0.15 -0.34 0.00 0.00 178.44 179.58 3kqx h PHE 235 N 0.61 0.41 -0.79 1.25 3.57 -0.96 0.16 116.94 121.20 3kqx h PHE 235 Ca 0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kqx h PHE 235 Cb 0.88 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 3kqx h PHE 235 CO 0.04 0.32 0.52 -0.09 -2.23 0.00 0.00 178.31 176.88 3kqx h ARG 236 N 0.38 1.03 -0.41 1.11 2.43 -1.08 -2.48 114.38 115.37 3kqx h ARG 236 Ca 0.11 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3kqx h ARG 236 Cb 0.04 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3kqx h ARG 236 CO -0.02 0.68 0.17 0.35 -1.51 0.00 0.00 179.97 179.64 3kqx h PHE 237 N 1.06 0.62 -0.47 2.20 3.57 -0.69 0.48 116.94 123.71 3kqx h PHE 237 Ca 0.29 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3kqx h PHE 237 Cb -0.12 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.34 3kqx h PHE 237 CO -0.02 0.54 -0.41 0.35 -2.23 0.00 0.00 178.31 176.55 3kqx h PHE 238 N 0.51 -1.18 -0.47 0.41 3.57 -0.51 -0.95 116.94 118.33 3kqx h PHE 238 Ca 0.14 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3kqx h PHE 238 Cb 0.18 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3kqx h PHE 238 CO -0.00 -0.42 0.26 -0.07 -2.23 0.00 0.00 178.31 175.85 3kqx h LEU 239 N -0.27 0.58 -0.87 0.59 3.38 -0.89 -0.87 115.31 116.96 3kqx h LEU 239 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kqx h LEU 239 Cb 0.57 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3kqx h LEU 239 CO -0.61 0.49 0.56 -0.33 0.09 0.00 0.00 178.44 178.64 3kqx h GLU 240 N 0.61 1.16 -0.11 1.13 5.08 -0.77 -0.22 114.58 121.46 3kqx h GLU 240 Ca 0.16 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 3kqx h GLU 240 Cb 0.04 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.05 3kqx h GLU 240 CO -0.03 0.79 -0.84 1.15 -1.00 0.00 0.00 179.01 179.08 3kqx h THR 241 N 1.19 1.28 0.06 1.13 2.02 -0.99 -1.23 112.91 116.37 3kqx h THR 241 Ca 0.32 -2.04 0.01 0.00 0.77 0.00 0.00 66.41 65.47 3kqx h THR 241 Cb -0.10 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3kqx h THR 241 CO -0.06 0.64 -0.11 0.25 0.37 0.00 0.00 175.52 176.61 3kqx h LEU 242 N 0.48 -0.30 -0.14 2.58 5.85 -0.98 -0.19 115.31 122.62 3kqx h LEU 242 Ca -0.07 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kqx h LEU 242 Cb 1.48 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 3kqx h LEU 242 CO 0.17 -0.16 0.07 -0.26 -0.34 0.00 0.00 178.44 177.91 3kqx h PHE 243 N -0.22 0.19 -0.54 1.25 0.04 -1.00 0.14 116.94 116.81 3kqx h PHE 243 Ca 0.02 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3kqx h PHE 243 Cb 0.23 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3kqx h PHE 243 CO -0.14 0.23 0.29 -0.92 -0.60 0.00 0.00 178.31 177.17 3kqx h TYR 244 N 0.10 0.75 0.00 -0.55 3.20 -1.08 -1.17 116.97 118.22 3kqx h TYR 244 Ca 0.05 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 3kqx h TYR 244 Cb 0.11 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3kqx h TYR 244 CO -0.03 0.56 -0.58 0.93 -1.64 0.00 0.00 178.16 177.40 3kqx h GLU 245 N 0.72 0.00 0.00 1.82 4.39 -0.93 -3.24 114.58 117.34 3kqx h GLU 245 Ca 0.19 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 3kqx h GLU 245 Cb 0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3kqx h GLU 245 CO -0.03 0.58 -0.64 -0.92 -1.16 0.00 0.00 179.01 176.84 3kqx h TYR 246 N 0.00 0.64 -2.45 4.33 3.20 -0.84 -3.45 116.97 118.41 3kqx h TYR 246 Ca -0.01 -0.35 -0.58 0.00 3.14 0.00 0.00 58.73 60.93 3kqx h TYR 246 Cb 1.43 -0.07 0.07 0.00 1.54 0.00 0.00 36.73 39.69 3kqx h TYR 246 CO 0.00 1.17 0.73 -0.12 -1.64 0.00 0.00 178.16 178.31 3kqx n MET 247 N -4.19 2.12 -5.18 1.82 1.56 -0.45 -5.02 117.12 107.78 3kqx n MET 247 Ca -0.10 0.76 -0.32 0.00 -0.27 0.00 0.00 57.70 57.77 3kqx n MET 247 Cb 0.69 -2.49 -0.16 0.00 2.15 0.00 0.00 33.22 33.41 3kqx n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kqx s THR 248 N 0.53 2.21 -0.45 1.12 2.01 -1.26 -4.97 115.64 114.83 3kqx s THR 248 Ca 0.75 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 3kqx s THR 248 Cb -0.66 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.04 3kqx s THR 248 CO 0.42 0.56 0.72 -0.62 -0.69 0.00 0.00 174.62 175.02 3kqx s ASP 249 N 0.08 6.36 -0.15 3.53 -1.08 -1.26 -4.90 116.67 119.25 3kqx s ASP 249 Ca -0.10 -0.26 0.18 0.00 -0.52 0.00 0.00 52.55 51.85 3kqx s ASP 249 Cb -0.16 -2.35 0.37 0.00 -1.46 0.00 0.00 42.92 39.32 3kqx s ASP 249 CO 0.06 -0.87 1.24 -0.62 0.52 0.00 0.00 175.17 175.50 3kqx n GLU 250 N 6.53 1.85 0.03 4.34 1.02 -1.26 -4.73 120.64 128.43 3kqx n GLU 250 Ca 0.00 -2.67 0.09 0.00 -0.02 0.00 0.00 57.16 54.56 3kqx n GLU 250 Cb 0.48 -1.62 0.52 0.00 -0.02 0.00 0.00 31.44 30.80 3kqx n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqx h ARG 251 N 0.62 0.33 -0.51 3.49 3.08 -1.98 -2.56 114.38 116.85 3kqx h ARG 251 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kqx h ARG 251 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3kqx h ARG 251 CO 0.08 0.22 0.00 1.19 -1.07 0.00 0.00 179.97 180.39 3kqx n PHE 252 N -4.48 0.68 -2.88 3.04 3.01 -1.26 -4.94 117.46 110.63 3kqx n PHE 252 Ca 0.04 -0.49 -0.37 0.00 1.01 0.00 0.00 57.45 57.64 3kqx n PHE 252 Cb 0.21 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.60 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 4.53 0.00 -1.08 -0.14 -0.97 -4.99 119.74 116.08 3kqx s LYS 253 Ca 0.35 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 3kqx s LYS 253 Cb 0.18 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 3kqx s LYS 253 CO 0.24 0.37 0.00 0.45 -0.76 0.00 0.00 175.35 175.65 3kqx n SER 254 N 0.83 0.00 0.25 2.83 2.88 -1.26 -4.87 113.62 114.29 3kqx n SER 254 Ca -0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.70 3kqx n SER 254 Cb 0.50 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.71 3kqx n SER 254 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3kqx h THR 255 N 0.00 0.00 -2.16 2.46 1.35 -2.03 -3.55 112.91 108.98 3kqx h THR 255 Ca 0.00 -0.30 -0.45 0.00 -0.55 0.00 0.00 66.41 65.10 3kqx h THR 255 Cb 0.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3kqx h THR 255 CO 0.00 0.00 -0.32 -1.81 -0.25 0.00 0.00 175.52 173.14 3kqx s ASP 256 N -5.14 6.10 -0.25 5.36 1.01 -1.26 -5.34 116.67 117.15 3kqx s ASP 256 Ca 0.00 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.27 3kqx s ASP 256 Cb 0.10 -1.56 0.08 0.00 1.01 0.00 0.00 42.92 42.55 3kqx s ASP 256 CO 0.46 -0.34 0.07 -1.61 0.21 0.00 0.00 175.17 173.95 3kqx s GLU 262 N -4.18 0.67 0.22 8.23 2.02 -1.26 -4.96 118.70 119.45 3kqx s GLU 262 Ca 0.41 -0.72 -0.13 0.00 0.02 0.00 0.00 54.97 54.56 3kqx s GLU 262 Cb -0.09 -1.99 -0.07 0.00 0.10 0.00 0.00 34.13 32.08 3kqx s GLU 262 CO 0.32 -0.82 0.59 0.71 0.02 0.00 0.00 175.26 176.08 3kqx s TYR 263 N 1.76 3.48 0.77 1.61 1.51 -1.26 -4.61 117.35 120.61 3kqx s TYR 263 Ca 0.04 1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 56.97 3kqx s TYR 263 Cb -0.17 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 3kqx s TYR 263 CO -0.18 0.29 0.60 0.44 -1.11 0.00 0.00 175.55 175.59 3kqx n ILE 264 N 0.15 1.62 0.60 2.71 -5.35 -1.24 -4.86 119.36 112.98 3kqx n ILE 264 Ca -0.01 -0.35 0.07 0.00 -0.27 0.00 0.00 62.75 62.20 3kqx n ILE 264 Cb 0.52 -0.79 -0.09 0.00 -1.74 0.00 0.00 39.64 37.54 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 -1.19 1.72 -3.81 6.28 5.02 -0.12 -4.71 118.16 121.36 3kqx n LYS 265 Ca 0.10 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3kqx n LYS 265 Cb 0.50 -1.24 -0.13 0.00 -0.02 0.00 0.00 35.03 34.14 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqx s HIS 266 N -2.55 -0.15 -0.13 2.13 3.76 -1.09 -1.13 115.29 116.14 3kqx s HIS 266 Ca 0.04 0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 55.32 3kqx s HIS 266 Cb 0.11 0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.86 3kqx s HIS 266 CO 0.63 -0.09 -0.08 -1.17 -0.85 0.00 0.00 174.74 173.18 3kqx s LEU 267 N 0.26 1.34 0.04 0.89 2.96 0.35 -1.91 118.68 122.60 3kqx s LEU 267 Ca -0.02 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3kqx s LEU 267 Cb -0.03 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 3kqx s LEU 267 CO -0.01 -0.12 0.09 -0.83 -1.32 0.00 0.00 176.35 174.16 3kqx s GLY 268 N 1.66 2.04 -0.04 7.98 0.00 0.27 -1.12 107.32 118.11 3kqx s GLY 268 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 3kqx s GLY 268 CO -0.08 -0.87 0.03 0.14 0.00 0.00 0.00 173.10 172.32 3kqx s VAL 269 N -1.32 0.04 -0.17 1.40 1.01 0.00 -0.43 120.40 120.94 3kqx s VAL 269 Ca 0.27 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 3kqx s VAL 269 Cb -0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3kqx s VAL 269 CO 0.19 0.16 -0.02 -0.31 0.00 0.00 0.00 175.10 175.12 3kqx s TYR 270 N 1.58 3.03 -0.03 5.22 1.51 -0.21 0.24 117.35 128.70 3kqx s TYR 270 Ca -0.02 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.47 3kqx s TYR 270 Cb -0.13 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3kqx s TYR 270 CO -0.03 -0.10 0.46 -1.50 -1.11 0.00 0.00 175.55 173.27 3kqx s ILE 271 N 0.58 0.03 0.55 2.71 2.07 -0.54 -1.30 121.20 125.29 3kqx s ILE 271 Ca -0.02 -0.27 -0.21 0.00 -1.41 0.00 0.00 60.65 58.74 3kqx s ILE 271 Cb -0.14 -0.78 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 3kqx s ILE 271 CO 0.02 -0.15 1.28 0.20 -1.91 0.00 0.00 174.94 174.38 3kqx s ASN 272 N -1.26 5.39 -1.44 4.50 0.01 -1.26 -2.03 114.94 118.85 3kqx s ASN 272 Ca -0.12 2.57 -0.07 0.00 -0.71 0.00 0.00 52.86 54.52 3kqx s ASN 272 Cb -0.03 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.06 3kqx s ASN 272 CO 0.07 -1.47 0.77 0.59 -1.51 0.00 0.00 177.10 175.55 3kqx n ASN 273 N -1.11 -2.60 -0.34 -1.22 3.02 -1.26 -4.86 115.26 106.89 3kqx n ASN 273 Ca 0.11 -0.85 0.17 0.00 -0.03 0.00 0.00 54.58 53.98 3kqx n ASN 273 Cb 0.47 -3.71 0.39 0.00 -0.61 0.00 0.00 39.78 36.32 3kqx n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqx h ALA 274 N 0.91 1.85 0.00 5.41 0.00 -1.84 -1.95 119.26 123.64 3kqx h ALA 274 Ca -0.60 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3kqx h ALA 274 Cb 1.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kqx h ALA 274 CO 0.63 -0.28 -0.19 -0.44 0.00 0.00 0.00 179.25 178.97 3kqx h ASP 275 N 0.60 0.00 1.70 0.00 5.19 -1.91 -0.80 116.42 121.19 3kqx h ASP 275 Ca 0.61 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 3kqx h ASP 275 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3kqx h ASP 275 CO -0.41 0.19 -0.06 0.71 -3.12 0.00 0.00 179.24 176.55 3kqx h THR 276 N 0.00 0.00 0.00 0.35 1.35 -1.72 -3.32 112.91 109.57 3kqx h THR 276 Ca -0.00 -0.76 -0.10 0.00 -0.55 0.00 0.00 66.41 65.00 3kqx h THR 276 Cb 0.47 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3kqx h THR 276 CO 0.03 0.00 -1.29 -1.22 -0.25 0.00 0.00 175.52 172.79 3kqx n TYR 277 N -2.70 0.92 -0.27 4.73 4.02 -0.35 -4.45 117.16 119.07 3kqx n TYR 277 Ca 0.04 0.29 0.08 0.00 -0.01 0.00 0.00 57.90 58.31 3kqx n TYR 277 Cb 0.49 -1.01 0.21 0.00 -0.02 0.00 0.00 39.34 39.01 3kqx n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3kqx h LYS 278 N 0.00 0.21 -0.11 -0.72 1.57 -1.54 0.25 116.57 116.23 3kqx h LYS 278 Ca -0.10 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3kqx h LYS 278 Cb 1.33 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 3kqx h LYS 278 CO 0.02 0.14 0.21 1.05 -0.57 0.00 0.00 179.45 180.30 3kqx h GLU 279 N 0.21 0.00 0.00 3.15 9.09 -1.79 -2.65 114.58 122.59 3kqx h GLU 279 Ca 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.85 3kqx h GLU 279 Cb 0.85 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3kqx h GLU 279 CO -0.60 0.00 -0.11 0.93 0.05 0.00 0.00 179.01 179.28 3kqx h GLU 280 N 0.00 0.00 0.50 1.06 4.39 -1.23 -3.35 114.58 115.95 3kqx h GLU 280 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3kqx h GLU 280 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3kqx h GLU 280 CO -0.00 0.11 -0.24 0.28 -1.16 0.00 0.00 179.01 178.00 3kqx h VAL 281 N 0.00 0.48 -0.02 3.13 2.07 -1.58 0.98 116.25 121.32 3kqx h VAL 281 Ca -0.00 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3kqx h VAL 281 Cb 0.94 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3kqx h VAL 281 CO 0.01 0.03 -0.56 -0.33 0.02 0.00 0.00 177.57 176.75 3kqx h GLU 282 N -0.80 0.05 -0.93 1.57 4.39 -1.78 -1.78 114.58 115.30 3kqx h GLU 282 Ca -0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3kqx h GLU 282 Cb 0.57 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 3kqx h GLU 282 CO 0.11 0.60 0.57 -0.22 -1.16 0.00 0.00 179.01 178.91 3kqx h LYS 283 N 0.04 1.26 -0.63 2.33 3.64 -1.66 -1.55 116.57 119.99 3kqx h LYS 283 Ca -0.00 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3kqx h LYS 283 Cb 1.00 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3kqx h LYS 283 CO 0.08 0.87 0.05 0.00 -2.27 0.00 0.00 179.45 178.18 3kqx h ALA 284 N 1.31 0.85 -0.63 5.00 0.00 -0.24 -1.07 119.26 124.48 3kqx h ALA 284 Ca 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 284 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3kqx h ALA 284 CO -0.07 0.65 0.18 -0.09 0.00 0.00 0.00 179.25 179.93 3kqx h ARG 285 N 0.99 0.97 -0.15 0.00 2.43 -0.77 0.17 114.38 118.02 3kqx h ARG 285 Ca 0.19 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3kqx h ARG 285 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3kqx h ARG 285 CO 0.02 0.84 -0.01 0.28 -1.51 0.00 0.00 179.97 179.59 3kqx h VAL 286 N 0.93 1.27 -0.49 0.20 2.07 -1.07 -2.30 116.25 116.86 3kqx h VAL 286 Ca 0.21 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kqx h VAL 286 Cb 0.29 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3kqx h VAL 286 CO -0.01 0.26 0.31 1.88 0.02 0.00 0.00 177.57 180.04 3kqx h TYR 287 N -0.00 0.64 -0.46 1.57 -1.99 -0.95 -0.60 116.97 115.17 3kqx h TYR 287 Ca 0.04 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.84 3kqx h TYR 287 Cb 0.41 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 3kqx h TYR 287 CO 0.04 0.43 0.16 -0.92 -0.00 0.00 0.00 178.16 177.87 3kqx h TYR 288 N 0.66 0.28 -0.06 4.88 3.20 -0.65 -1.74 116.97 123.54 3kqx h TYR 288 Ca 0.18 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.89 3kqx h TYR 288 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3kqx h TYR 288 CO -0.03 0.09 -0.75 0.35 -1.64 0.00 0.00 178.16 176.19 3kqx h PHE 289 N 0.33 0.50 -0.61 -3.82 3.57 -0.75 0.33 116.94 116.48 3kqx h PHE 289 Ca 0.22 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3kqx h PHE 289 Cb 0.23 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3kqx h PHE 289 CO -0.16 0.98 0.23 0.78 -2.23 0.00 0.00 178.31 177.91 3kqx h GLY 290 N 1.36 0.99 0.92 2.40 0.00 -0.95 0.48 103.07 108.27 3kqx h GLY 290 Ca -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3kqx h GLY 290 CO 0.13 0.52 -0.04 -0.84 0.00 0.00 0.00 176.54 176.31 3kqx h THR 291 N 0.86 1.27 -0.40 4.70 2.02 -1.05 -1.91 112.91 118.39 3kqx h THR 291 Ca 0.20 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 3kqx h THR 291 Cb 0.23 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3kqx h THR 291 CO -0.01 0.35 0.12 0.22 0.37 0.00 0.00 175.52 176.56 3kqx h TYR 292 N 0.43 0.66 -0.27 3.16 3.20 -0.67 0.57 116.97 124.05 3kqx h TYR 292 Ca 0.09 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3kqx h TYR 292 Cb 0.52 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3kqx h TYR 292 CO 0.04 0.62 -0.15 -0.92 -1.64 0.00 0.00 178.16 176.11 3kqx h TYR 293 N 0.51 -0.36 -0.46 -3.82 3.20 -0.00 0.51 116.97 116.54 3kqx h TYR 293 Ca 0.13 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.12 3kqx h TYR 293 Cb 0.27 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 3kqx h TYR 293 CO 0.01 -0.22 -0.00 0.00 -1.64 0.00 0.00 178.16 176.31 3kqx h ALA 294 N 1.09 0.42 -0.90 1.82 0.00 -1.10 -2.32 119.26 118.27 3kqx h ALA 294 Ca 0.15 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kqx h ALA 294 Cb 0.34 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3kqx h ALA 294 CO -0.35 -0.39 0.58 1.03 0.00 0.00 0.00 179.25 180.13 3kqx h SER 295 N 0.11 1.05 -0.77 0.00 0.87 -0.50 0.03 113.55 114.34 3kqx h SER 295 Ca 0.23 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3kqx h SER 295 Cb 0.34 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3kqx h SER 295 CO -0.38 0.77 0.31 1.56 -0.53 0.00 0.00 176.83 178.55 3kqx h GLN 296 N 1.23 1.16 -0.34 2.24 4.20 -0.38 -0.55 115.11 122.67 3kqx h GLN 296 Ca 0.33 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3kqx h GLN 296 Cb -0.12 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 3kqx h GLN 296 CO -0.07 0.94 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.75 3kqx h LEU 297 N 1.13 0.79 -0.19 1.46 3.38 -0.96 -2.17 115.31 118.75 3kqx h LEU 297 Ca 0.26 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3kqx h LEU 297 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kqx h LEU 297 CO -0.02 1.05 -0.03 0.40 0.09 0.00 0.00 178.44 179.92 3kqx h ILE 298 N 0.53 1.28 0.00 1.22 2.04 -0.73 -3.19 117.51 118.66 3kqx h ILE 298 Ca 0.07 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3kqx h ILE 298 Cb 0.77 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3kqx h ILE 298 CO 0.06 0.29 -0.29 0.00 0.00 0.00 0.00 178.15 178.21 3kqx h ALA 299 N 0.75 1.37 -2.10 1.87 0.00 -1.15 -3.41 119.26 116.59 3kqx h ALA 299 Ca 0.05 -0.26 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 3kqx h ALA 299 Cb 0.46 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kqx h ALA 299 CO 0.02 0.36 1.12 0.00 0.00 0.00 0.00 179.25 180.74 3kqx n ALA 300 N -2.42 1.04 -1.00 0.00 0.00 -0.82 -4.94 120.51 112.39 3kqx n ALA 300 Ca -0.02 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 3kqx n ALA 300 Cb 0.36 -2.53 0.16 0.00 0.00 0.00 0.00 19.45 17.43 3kqx n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kqx s PRO 301 N 4.03 0.96 0.50 0.00 0.04 -1.26 -4.52 135.00 134.74 3kqx s PRO 301 Ca 0.91 1.02 0.24 0.00 0.04 0.00 0.00 61.00 63.21 3kqx s PRO 301 Cb -0.64 -1.76 1.30 0.00 0.04 0.00 0.00 34.50 33.44 3kqx s PRO 301 CO 0.49 -2.50 2.03 0.77 0.04 0.00 0.00 177.00 177.83 3kqx h SER 302 N -1.75 0.00 -0.40 6.66 0.02 -1.81 0.57 113.55 116.84 3kqx h SER 302 Ca -0.49 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 3kqx h SER 302 Cb 1.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 3kqx h SER 302 CO 0.51 0.15 -0.04 -0.55 -1.14 0.00 0.00 176.83 175.77 3kqx h ASN 303 N 0.00 0.78 0.03 3.07 -1.07 -1.93 -3.31 115.58 113.14 3kqx h ASN 303 Ca -0.00 -0.21 -0.09 0.00 0.07 0.00 0.00 56.30 56.08 3kqx h ASN 303 Cb 0.38 -0.21 0.01 0.00 -2.07 0.00 0.00 38.32 36.43 3kqx h ASN 303 CO 0.02 0.87 -0.35 1.88 0.07 0.00 0.00 177.43 179.92 3kqx h TYR 304 N 0.75 0.31 -3.53 4.14 0.05 -1.44 -3.43 116.97 113.82 3kqx h TYR 304 Ca 0.14 -0.19 -0.75 0.00 0.05 0.00 0.00 58.73 57.99 3kqx h TYR 304 Cb 0.50 -0.03 -0.29 0.00 1.01 0.00 0.00 36.73 37.93 3kqx h TYR 304 CO 0.03 1.04 -0.19 0.00 -1.05 0.00 0.00 178.16 177.99 3kqx s ASN 306 N 2.10 3.76 0.48 0.00 2.20 -1.25 -4.33 114.94 117.91 3kqx s ASN 306 Ca 0.13 -1.61 0.14 0.00 -0.94 0.00 0.00 52.86 50.57 3kqx s ASN 306 Cb -0.19 0.37 1.14 0.00 -2.00 0.00 0.00 41.25 40.56 3kqx s ASN 306 CO -0.04 -0.80 2.11 -0.65 -2.94 0.00 0.00 177.10 174.78 3kqx h PRO 307 N 1.52 0.14 0.01 3.55 0.11 -1.87 0.91 132.00 136.37 3kqx h PRO 307 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kqx h PRO 307 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kqx h PRO 307 CO 0.72 0.11 -0.01 0.28 -0.21 0.00 0.00 178.00 178.89 3kqx h VAL 308 N 0.14 1.54 0.00 3.15 2.07 -1.95 -2.74 116.25 118.47 3kqx h VAL 308 Ca 0.04 -1.77 -0.12 0.00 0.82 0.00 0.00 66.70 65.66 3kqx h VAL 308 Cb 0.02 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3kqx h VAL 308 CO -0.01 0.45 -0.59 0.77 0.02 0.00 0.00 177.57 178.22 3kqx h SER 309 N -0.79 0.00 -0.15 0.57 4.64 -1.79 -0.30 113.55 115.74 3kqx h SER 309 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3kqx h SER 309 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3kqx h SER 309 CO 0.00 0.59 -0.03 0.25 -0.87 0.00 0.00 176.83 176.77 3kqx h LEU 310 N 0.00 0.29 -0.81 5.97 5.85 -0.93 -1.12 115.31 124.56 3kqx h LEU 310 Ca -0.01 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3kqx h LEU 310 Cb 1.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3kqx h LEU 310 CO 0.08 0.58 0.36 0.77 -0.34 0.00 0.00 178.44 179.89 3kqx h SER 311 N -0.01 1.09 -0.68 1.25 4.64 -1.40 -1.28 113.55 117.16 3kqx h SER 311 Ca 0.04 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3kqx h SER 311 Cb 0.45 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3kqx h SER 311 CO 0.01 0.95 0.42 0.78 -0.87 0.00 0.00 176.83 178.12 3kqx h ASN 312 N 1.17 0.67 -0.81 4.97 2.35 -0.95 -0.06 115.58 122.93 3kqx h ASN 312 Ca 0.28 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3kqx h ASN 312 Cb 0.17 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 3kqx h ASN 312 CO -0.03 0.45 0.53 0.00 -1.65 0.00 0.00 177.43 176.74 3kqx h ALA 313 N 1.31 1.49 -0.17 -0.83 0.00 -0.71 -1.15 119.26 119.21 3kqx h ALA 313 Ca 0.28 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 313 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kqx h ALA 313 CO -0.13 0.44 -0.57 0.00 0.00 0.00 0.00 179.25 178.99 3kqx h ALA 314 N 1.52 0.70 -0.04 0.00 0.00 -0.51 -0.42 119.26 120.51 3kqx h ALA 314 Ca 0.31 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kqx h ALA 314 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kqx h ALA 314 CO -0.09 0.70 -0.08 0.28 0.00 0.00 0.00 179.25 180.06 3kqx h VAL 315 N 0.39 0.79 -0.79 0.00 2.07 -0.62 -0.89 116.25 117.20 3kqx h VAL 315 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3kqx h VAL 315 Cb 1.11 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3kqx h VAL 315 CO 0.10 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 178.00 3kqx h GLU 316 N -0.12 1.13 -0.14 1.57 4.81 -0.99 0.99 114.58 121.83 3kqx h GLU 316 Ca 0.04 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3kqx h GLU 316 Cb 0.18 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3kqx h GLU 316 CO -0.11 0.87 0.09 1.25 -0.73 0.00 0.00 179.01 180.38 3kqx h LEU 317 N 1.11 0.14 -0.71 1.64 5.85 -0.89 -1.44 115.31 121.02 3kqx h LEU 317 Ca 0.27 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.07 3kqx h LEU 317 Cb 0.11 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 3kqx h LEU 317 CO -0.04 0.11 0.37 0.00 -0.34 0.00 0.00 178.44 178.54 3kqx h ALA 318 N 1.06 0.98 -0.45 1.25 0.00 -0.74 -1.18 119.26 120.17 3kqx h ALA 318 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 318 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kqx h ALA 318 CO -0.02 0.00 0.24 1.96 0.00 0.00 0.00 179.25 181.43 3kqx h GLN 319 N 0.65 0.61 0.00 0.00 4.20 -0.14 0.05 115.11 120.48 3kqx h GLN 319 Ca 0.34 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.89 3kqx h GLN 319 Cb 0.31 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3kqx h GLN 319 CO -0.24 0.46 -0.48 0.87 -0.67 0.00 0.00 178.83 178.77 3kqx h LYS 320 N 0.62 0.00 -0.02 1.46 1.57 -0.70 -3.26 116.57 116.23 3kqx h LYS 320 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kqx h LYS 320 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kqx h LYS 320 CO -0.03 0.44 -0.21 1.28 -0.57 0.00 0.00 179.45 180.36 3kqx n LEU 321 N -3.20 2.50 -3.20 2.94 4.77 -0.50 -4.97 117.00 115.34 3kqx n LEU 321 Ca 0.02 -0.89 -0.23 0.00 -0.03 0.00 0.00 56.01 54.87 3kqx n LEU 321 Cb 0.71 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.83 3kqx n LEU 321 CO 0.40 0.44 0.01 0.59 -1.33 0.00 0.00 177.39 177.50 3kqx n ASN 322 N 0.70 -5.46 -4.87 -1.43 3.02 -0.07 -4.95 115.26 102.20 3kqx n ASN 322 Ca 0.11 -0.36 -0.30 0.00 -0.03 0.00 0.00 54.58 54.00 3kqx n ASN 322 Cb 0.52 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 35.27 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 -6.72 3.51 0.49 3.41 1.43 -0.75 -5.01 118.68 115.04 3kqx s LEU 323 Ca 0.37 1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 54.59 3kqx s LEU 323 Cb -0.17 -4.29 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 3kqx s LEU 323 CO 0.46 -0.66 1.02 -1.61 0.23 0.00 0.00 176.35 175.79 3kqx s GLU 324 N -4.58 3.85 -0.01 1.70 2.02 -0.63 -4.66 118.70 116.39 3kqx s GLU 324 Ca 0.54 1.26 -0.16 0.00 0.02 0.00 0.00 54.97 56.63 3kqx s GLU 324 Cb -0.10 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.04 3kqx s GLU 324 CO 0.42 -0.37 0.35 1.52 0.02 0.00 0.00 175.26 177.20 3kqx s TYR 325 N -2.13 -0.22 -0.05 1.61 -0.85 -1.26 -1.16 117.35 113.30 3kqx s TYR 325 Ca 0.65 0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 57.48 3kqx s TYR 325 Cb -0.14 0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.36 3kqx s TYR 325 CO 0.21 -0.43 0.11 0.21 -1.52 0.00 0.00 175.55 174.13 3kqx s LYS 326 N -1.53 0.06 -0.24 -3.49 2.20 0.14 -5.01 119.74 111.88 3kqx s LYS 326 Ca -0.12 0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 3kqx s LYS 326 Cb -0.04 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.12 3kqx s LYS 326 CO 0.03 -0.14 0.01 0.42 -0.36 0.00 0.00 175.35 175.32 3kqx s ILE 327 N 0.93 3.72 -0.17 5.43 -1.09 -1.26 -1.24 121.20 127.52 3kqx s ILE 327 Ca -0.07 -0.45 -0.17 0.00 -2.23 0.00 0.00 60.65 57.72 3kqx s ILE 327 Cb -0.10 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 3kqx s ILE 327 CO -0.04 0.33 0.46 -0.76 -1.23 0.00 0.00 174.94 173.71 3kqx s LEU 328 N 1.52 4.20 0.00 2.97 1.02 0.79 -4.88 118.68 124.29 3kqx s LEU 328 Ca 0.05 0.68 0.07 0.00 0.02 0.00 0.00 54.13 54.95 3kqx s LEU 328 Cb -0.15 -2.64 0.08 0.00 0.02 0.00 0.00 46.19 43.50 3kqx s LEU 328 CO -0.00 -0.08 0.68 0.61 0.02 0.00 0.00 176.35 177.58 3kqx n GLY 329 N 3.65 1.84 0.28 -3.19 0.00 -1.26 -1.06 105.19 105.44 3kqx n GLY 329 Ca -0.07 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.78 3kqx n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 330 N 0.02 0.88 -0.51 1.61 2.07 -1.96 -0.13 116.25 118.22 3kqx h VAL 330 Ca -0.23 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3kqx h VAL 330 Cb 1.03 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3kqx h VAL 330 CO 0.32 0.12 0.27 0.50 0.02 0.00 0.00 177.57 178.80 3kqx h LYS 331 N 0.67 0.72 -0.12 1.57 3.64 -1.96 0.94 116.57 122.04 3kqx h LYS 331 Ca 0.36 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3kqx h LYS 331 Cb 0.35 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3kqx h LYS 331 CO -0.25 0.57 -0.41 1.49 -2.27 0.00 0.00 179.45 178.58 3kqx h GLU 332 N 0.68 0.26 -0.38 1.90 4.81 -1.77 -2.58 114.58 117.49 3kqx h GLU 332 Ca 0.18 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3kqx h GLU 332 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3kqx h GLU 332 CO -0.03 0.64 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.64 3kqx h LEU 333 N 0.22 0.72 -0.55 1.64 3.38 -0.24 -1.26 115.31 119.22 3kqx h LEU 333 Ca 0.02 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3kqx h LEU 333 Cb 0.83 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3kqx h LEU 333 CO 0.07 0.90 0.01 -0.33 0.09 0.00 0.00 178.44 179.17 3kqx h GLU 334 N 0.64 0.97 -0.46 1.13 5.08 -0.69 -1.56 114.58 119.70 3kqx h GLU 334 Ca 0.10 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3kqx h GLU 334 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3kqx h GLU 334 CO 0.05 0.97 0.08 1.49 -1.00 0.00 0.00 179.01 180.60 3kqx h GLU 335 N 0.85 0.70 0.00 2.33 4.57 -1.20 -0.55 114.58 121.28 3kqx h GLU 335 Ca 0.16 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kqx h GLU 335 Cb 0.53 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3kqx h GLU 335 CO 0.03 0.66 0.00 1.28 -1.18 0.00 0.00 179.01 179.80 3kqx n LEU 336 N -4.28 0.00 -2.25 1.64 4.77 -0.50 -4.94 117.00 111.44 3kqx n LEU 336 Ca 0.03 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 3kqx n LEU 336 Cb 0.23 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3kqx n LEU 336 CO 0.39 -0.03 -0.10 0.29 -1.33 0.00 0.00 177.39 176.61 3kqx n LYS 337 N -1.28 -2.84 -1.30 3.23 5.02 -0.22 -4.71 118.16 116.07 3kqx n LYS 337 Ca 0.13 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.83 3kqx n LYS 337 Cb 0.21 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 29.93 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqx n MET 338 N -3.08 3.07 0.26 1.97 2.81 -0.98 -2.38 117.12 118.79 3kqx n MET 338 Ca -0.14 -2.14 0.15 0.00 -1.81 0.00 0.00 57.70 53.75 3kqx n MET 338 Cb 0.62 -2.87 0.56 0.00 -0.71 0.00 0.00 33.22 30.83 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 8.43 0.00 0.47 3.03 0.00 -1.80 -1.15 103.07 112.05 3kqx h GLY 339 Ca 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 3kqx h GLY 339 CO 1.77 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 178.20 3kqx h ALA 340 N 1.94 -0.31 -0.23 3.60 0.00 -1.85 -2.46 119.26 119.95 3kqx h ALA 340 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kqx h ALA 340 Cb 0.64 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kqx h ALA 340 CO 0.01 -0.41 0.12 -0.92 0.00 0.00 0.00 179.25 178.05 3kqx h TYR 341 N -0.84 0.23 -0.69 0.00 3.20 -1.65 -2.90 116.97 114.31 3kqx h TYR 341 Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3kqx h TYR 341 Cb 0.51 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3kqx h TYR 341 CO 0.06 0.14 0.39 -0.07 -1.64 0.00 0.00 178.16 177.03 3kqx h LEU 342 N 0.26 0.85 -0.56 2.82 3.38 -1.32 -2.83 115.31 117.90 3kqx h LEU 342 Ca 0.09 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 342 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3kqx h LEU 342 CO -0.05 0.67 0.36 0.28 0.09 0.00 0.00 178.44 179.78 3kqx h SER 343 N 0.96 0.60 -0.57 -0.43 0.02 -1.24 -2.47 113.55 110.43 3kqx h SER 343 Ca 0.25 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.26 3kqx h SER 343 Cb 0.01 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 3kqx h SER 343 CO -0.04 0.42 0.26 0.58 -1.14 0.00 0.00 176.83 176.91 3kqx h VAL 344 N 0.71 0.88 0.00 2.27 2.07 -1.39 -2.84 116.25 117.95 3kqx h VAL 344 Ca 0.22 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3kqx h VAL 344 Cb -0.02 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kqx h VAL 344 CO -0.08 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3kqx n GLY 345 N -1.27 -1.05 0.34 2.17 0.00 -0.96 -4.26 105.19 100.17 3kqx n GLY 345 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 1.14 0.00 1.61 1.57 -1.23 -2.23 116.57 117.44 3kqx h LYS 346 Ca 0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kqx h LYS 346 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kqx h LYS 346 CO 0.00 0.90 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 3kqx n GLY 347 N -0.98 -0.66 3.92 3.86 0.00 -1.24 -4.55 105.19 105.54 3kqx n GLY 347 Ca 0.07 -0.11 -0.28 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 -1.86 6.39 0.01 1.61 0.15 -0.84 -4.54 113.70 114.62 3kqx s SER 348 Ca 0.25 0.37 0.28 0.00 0.70 0.00 0.00 55.95 57.56 3kqx s SER 348 Cb 0.12 -2.00 1.15 0.00 -1.71 0.00 0.00 66.02 63.58 3kqx s SER 348 CO 0.19 0.01 1.87 1.15 1.20 0.00 0.00 173.24 177.67 3kqx n MET 349 N -0.42 0.01 -3.61 5.44 0.00 -1.26 -4.73 117.12 112.55 3kqx n MET 349 Ca -0.05 0.01 -0.37 0.00 0.00 0.00 0.00 57.70 57.29 3kqx n MET 349 Cb 0.53 -1.51 -0.10 0.00 0.00 0.00 0.00 33.22 32.14 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 -3.01 3.29 0.55 3.17 1.51 -1.26 -4.91 117.35 116.70 3kqx s TYR 350 Ca 0.14 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.23 3kqx s TYR 350 Cb 0.19 -2.33 -0.05 0.00 -0.11 0.00 0.00 41.96 39.66 3kqx s TYR 350 CO 0.55 -0.01 1.25 -2.14 -1.11 0.00 0.00 175.55 174.10 3kqx s PRO 351 N 1.29 3.16 0.47 -1.71 0.01 -1.26 -4.80 135.00 132.16 3kqx s PRO 351 Ca 0.09 1.96 -0.24 0.00 0.01 0.00 0.00 61.00 62.82 3kqx s PRO 351 Cb -0.14 -2.13 -0.07 0.00 0.01 0.00 0.00 34.50 32.17 3kqx s PRO 351 CO 0.07 -1.09 1.34 -0.80 0.01 0.00 0.00 177.00 176.52 3kqx s ASN 352 N -1.32 5.85 -0.04 2.53 -0.87 -1.26 -4.57 114.94 115.26 3kqx s ASN 352 Ca 0.73 2.72 0.00 0.00 -1.57 0.00 0.00 52.86 54.74 3kqx s ASN 352 Cb -0.34 -2.64 0.03 0.00 -0.02 0.00 0.00 41.25 38.28 3kqx s ASN 352 CO 0.39 -1.17 -0.01 -0.54 -2.57 0.00 0.00 177.10 173.20 3kqx s LYS 353 N -2.56 0.50 -0.27 -0.60 -0.14 -0.86 -4.08 119.74 111.72 3kqx s LYS 353 Ca 0.63 0.04 -0.09 0.00 -1.36 0.00 0.00 55.97 55.19 3kqx s LYS 353 Cb -0.39 -0.69 -0.04 0.00 -1.68 0.00 0.00 37.83 35.04 3kqx s LYS 353 CO 0.49 -0.16 0.14 0.12 -0.76 0.00 0.00 175.35 175.17 3kqx s PHE 354 N 1.24 3.16 -0.05 3.18 2.19 -0.23 -1.88 117.98 125.59 3kqx s PHE 354 Ca -0.07 -0.18 -0.22 0.00 0.33 0.00 0.00 56.93 56.79 3kqx s PHE 354 Cb -0.13 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.21 3kqx s PHE 354 CO -0.02 -0.28 0.66 0.42 1.83 0.00 0.00 175.22 177.84 3kqx s ILE 355 N 1.68 5.00 -0.26 3.12 1.01 -0.07 -0.15 121.20 131.54 3kqx s ILE 355 Ca 0.06 1.38 -0.03 0.00 0.00 0.00 0.00 60.65 62.06 3kqx s ILE 355 Cb -0.16 -4.00 0.09 0.00 0.01 0.00 0.00 42.46 38.39 3kqx s ILE 355 CO 0.07 0.30 0.10 -2.28 0.00 0.00 0.00 174.94 173.14 3kqx s HIS 356 N 0.49 0.69 0.03 3.97 2.46 -0.38 -1.26 115.29 121.30 3kqx s HIS 356 Ca 0.35 -0.95 0.01 0.00 0.47 0.00 0.00 55.06 54.95 3kqx s HIS 356 Cb -0.18 -1.05 -0.04 0.00 -0.13 0.00 0.00 32.58 31.18 3kqx s HIS 356 CO 0.18 -0.75 0.08 -0.51 -2.47 0.00 0.00 174.74 171.27 3kqx s LEU 357 N 1.97 3.83 -0.06 8.88 1.02 0.29 -0.68 118.68 133.93 3kqx s LEU 357 Ca 0.06 0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.29 3kqx s LEU 357 Cb -0.16 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.71 3kqx s LEU 357 CO -0.25 0.23 -0.06 -0.89 0.02 0.00 0.00 176.35 175.40 3kqx s THR 358 N -1.28 0.68 -0.21 5.49 2.01 -0.31 -0.34 115.64 121.69 3kqx s THR 358 Ca 0.26 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 3kqx s THR 358 Cb -0.12 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3kqx s THR 358 CO 0.17 0.27 0.11 -0.47 -0.69 0.00 0.00 174.62 174.01 3kqx s TYR 359 N 1.07 3.29 -0.09 4.92 5.04 0.03 -1.61 117.35 130.01 3kqx s TYR 359 Ca -0.08 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.73 3kqx s TYR 359 Cb -0.14 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.00 3kqx s TYR 359 CO -0.01 0.12 -0.21 -1.59 -1.34 0.00 0.00 175.55 172.52 3kqx s LYS 360 N 0.67 2.67 0.52 4.97 0.00 -1.26 -1.23 119.74 126.09 3kqx s LYS 360 Ca 0.06 -0.78 -0.21 0.00 0.00 0.00 0.00 55.97 55.04 3kqx s LYS 360 Cb -0.13 -2.07 -0.06 0.00 0.00 0.00 0.00 37.83 35.57 3kqx s LYS 360 CO 0.01 0.17 1.19 -1.12 0.00 0.00 0.00 175.35 175.61 3kqx s SER 361 N 0.34 5.70 0.37 0.03 0.01 -0.34 -4.95 113.70 114.86 3kqx s SER 361 Ca -0.16 2.35 0.18 0.00 1.31 0.00 0.00 55.95 59.63 3kqx s SER 361 Cb -0.17 -2.60 0.66 0.00 0.21 0.00 0.00 66.02 64.12 3kqx s SER 361 CO 0.07 -1.24 1.73 0.07 0.41 0.00 0.00 173.24 174.28 3kqx h LYS 362 N 1.47 0.00 0.00 12.44 -0.00 -1.90 -3.46 116.57 125.12 3kqx h LYS 362 Ca -0.50 0.00 -0.35 0.00 -0.00 0.00 0.00 60.65 59.80 3kqx h LYS 362 Cb 1.27 0.00 0.13 0.00 -0.00 0.00 0.00 32.23 33.63 3kqx h LYS 362 CO 0.58 0.39 0.29 0.41 -0.00 0.00 0.00 179.45 181.12 3kqx n GLY 363 N 0.22 -1.07 3.73 0.07 0.00 -1.26 -5.01 105.19 101.87 3kqx n GLY 363 Ca -0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3kqx n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kqx n ASP 364 N -3.55 3.80 -4.68 1.61 5.68 -1.26 -4.78 116.55 113.37 3kqx n ASP 364 Ca 0.13 1.11 -0.41 0.00 -0.50 0.00 0.00 54.79 55.12 3kqx n ASP 364 Cb 0.46 -1.57 -0.04 0.00 -1.14 0.00 0.00 41.12 38.83 3kqx n ASP 364 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kqx s VAL 365 N 0.48 4.91 -1.12 2.12 1.01 -1.26 -4.23 120.40 122.31 3kqx s VAL 365 Ca 0.69 1.58 0.13 0.00 0.00 0.00 0.00 61.98 64.38 3kqx s VAL 365 Cb -0.52 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 3kqx s VAL 365 CO 0.42 0.06 0.72 0.29 0.00 0.00 0.00 175.10 176.59 3kqx n LYS 366 N 5.01 1.97 -3.67 2.72 5.02 0.10 -4.96 118.16 124.36 3kqx n LYS 366 Ca 0.03 -0.65 -0.10 0.00 -2.02 0.00 0.00 58.31 55.57 3kqx n LYS 366 Cb 0.49 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.25 3kqx n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqx s LYS 367 N -1.62 0.59 -0.13 1.97 2.20 -1.00 -5.03 119.74 116.70 3kqx s LYS 367 Ca 0.10 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 3kqx s LYS 367 Cb 0.10 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3kqx s LYS 367 CO 0.33 -0.14 -0.15 0.15 -0.36 0.00 0.00 175.35 175.18 3kqx s LYS 368 N 1.22 3.31 -0.02 4.03 1.02 -1.26 -1.71 119.74 126.33 3kqx s LYS 368 Ca -0.07 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.24 3kqx s LYS 368 Cb -0.06 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3kqx s LYS 368 CO -0.12 0.16 -0.16 0.42 -0.92 0.00 0.00 175.35 174.73 3kqx s ILE 369 N 0.47 1.26 -0.17 2.17 1.01 -0.40 0.56 121.20 126.10 3kqx s ILE 369 Ca -0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3kqx s ILE 369 Cb -0.16 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 3kqx s ILE 369 CO 0.05 0.36 -0.04 0.00 0.00 0.00 0.00 174.94 175.30 3kqx s ALA 370 N -0.29 2.91 -0.22 9.38 0.00 -0.14 -1.10 121.76 132.30 3kqx s ALA 370 Ca 0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3kqx s ALA 370 Cb -0.07 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3kqx s ALA 370 CO -0.00 0.02 0.05 -0.51 0.00 0.00 0.00 175.76 175.31 3kqx s LEU 371 N 0.71 3.47 -0.14 0.00 1.43 0.77 -1.07 118.68 123.85 3kqx s LEU 371 Ca -0.02 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3kqx s LEU 371 Cb -0.15 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3kqx s LEU 371 CO 0.02 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.78 3kqx s VAL 372 N 1.14 1.73 -0.02 -1.59 1.01 0.16 -0.53 120.40 122.30 3kqx s VAL 372 Ca 0.04 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3kqx s VAL 372 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3kqx s VAL 372 CO 0.03 0.49 -0.20 -0.83 0.00 0.00 0.00 175.10 174.58 3kqx s GLY 373 N 1.15 1.43 0.17 4.51 0.00 -0.25 -0.33 107.32 114.00 3kqx s GLY 373 Ca -0.01 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 3kqx s GLY 373 CO -0.06 -0.89 1.23 1.25 0.00 0.00 0.00 173.10 174.64 3kqx s LYS 374 N -0.79 4.45 -0.45 2.90 2.20 -0.64 -4.09 119.74 123.32 3kqx s LYS 374 Ca 0.11 1.92 0.10 0.00 -0.36 0.00 0.00 55.97 57.73 3kqx s LYS 374 Cb -0.10 -3.24 0.37 0.00 -1.51 0.00 0.00 37.83 33.34 3kqx s LYS 374 CO 0.01 -0.17 0.88 0.41 -0.36 0.00 0.00 175.35 176.12 3kqx n GLY 375 N 2.42 4.32 3.53 5.54 0.00 -1.26 -1.21 105.19 118.53 3kqx n GLY 375 Ca 0.06 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.58 4.99 -0.43 -0.61 -1.09 -0.53 -2.15 121.20 117.79 3kqx s ILE 376 Ca 0.42 0.09 0.23 0.00 -2.23 0.00 0.00 60.65 59.16 3kqx s ILE 376 Cb 0.34 -4.05 0.28 0.00 -1.58 0.00 0.00 42.46 37.46 3kqx s ILE 376 CO -0.10 -0.37 1.53 0.71 -1.23 0.00 0.00 174.94 175.48 3kqx h THR 377 N 5.71 0.00 -2.53 2.92 1.35 -1.63 -1.56 112.91 117.17 3kqx h THR 377 Ca -0.27 -0.95 -0.09 0.00 -0.55 0.00 0.00 66.41 64.55 3kqx h THR 377 Cb 1.11 1.87 -0.25 0.00 -1.73 0.00 0.00 68.15 69.15 3kqx h THR 377 CO 0.81 0.00 -0.21 0.12 -0.25 0.00 0.00 175.52 175.99 3kqx s PHE 378 N -3.23 -0.65 -0.45 4.73 5.36 -1.26 -4.36 117.98 118.12 3kqx s PHE 378 Ca 0.06 1.41 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 3kqx s PHE 378 Cb 0.06 0.29 0.12 0.00 -0.34 0.00 0.00 43.02 43.16 3kqx s PHE 378 CO 0.68 -0.34 0.22 0.34 -1.46 0.00 0.00 175.22 174.66 3kqx s ASP 379 N 1.08 4.91 0.42 6.13 2.15 -1.19 -1.34 116.67 128.83 3kqx s ASP 379 Ca -0.07 -2.44 0.26 0.00 0.43 0.00 0.00 52.55 50.74 3kqx s ASP 379 Cb -0.06 -1.74 0.70 0.00 -0.30 0.00 0.00 42.92 41.52 3kqx s ASP 379 CO -0.10 -0.40 1.73 0.77 -0.17 0.00 0.00 175.17 177.01 3kqx h SER 380 N 7.40 0.00 0.00 -0.34 4.64 -1.77 -3.46 113.55 120.02 3kqx h SER 380 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kqx h SER 380 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kqx h SER 380 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 3kqx n GLY 381 N 0.81 2.22 7.00 -0.77 0.00 -1.26 -0.94 105.19 112.25 3kqx n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.91 -0.20 0.26 -0.02 0.00 -1.26 -2.20 105.19 99.86 3kqx n GLY 382 Ca 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.00 1.61 0.05 -1.83 -0.02 116.97 116.78 3kqx h TYR 383 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 3kqx h TYR 383 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kqx h TYR 383 CO 0.00 0.08 2.33 0.09 -1.05 0.00 0.00 178.16 179.60 3kqx n ASN 384 N -4.19 6.43 -4.53 3.88 4.13 -1.23 -4.98 115.26 114.77 3kqx n ASN 384 Ca -0.03 -2.43 -0.49 0.00 1.68 0.00 0.00 54.58 53.32 3kqx n ASN 384 Cb 0.16 -1.32 -0.04 0.00 -1.54 0.00 0.00 39.78 37.04 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 3.46 0.77 -4.57 3.41 7.94 -0.02 -4.55 117.00 123.44 3kqx n LEU 385 Ca 0.57 1.15 -0.25 0.00 -1.11 0.00 0.00 56.01 56.37 3kqx n LEU 385 Cb 0.36 -1.14 -0.06 0.00 0.53 0.00 0.00 43.42 43.11 3kqx n LEU 385 CO 0.61 -1.78 1.38 -0.54 -1.11 0.00 0.00 177.39 175.94 3kqx s LYS 386 N -0.74 2.31 0.00 1.96 1.02 -0.11 -4.50 119.74 119.67 3kqx s LYS 386 Ca 0.70 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3kqx s LYS 386 Cb -0.88 -5.11 0.00 0.00 -0.52 0.00 0.00 37.83 31.32 3kqx s LYS 386 CO 0.55 -3.96 0.02 0.00 -0.92 0.00 0.00 175.35 171.05 3kqx n ALA 387 N 15.13 1.87 -1.79 5.17 0.00 -1.26 -4.64 120.51 135.00 3kqx n ALA 387 Ca 0.43 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 3kqx n ALA 387 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.89 3.12 0.18 0.00 0.00 -1.26 -4.96 121.76 117.94 3kqx s ALA 388 Ca 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 51.96 52.20 3kqx s ALA 388 Cb 0.00 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.76 3kqx s ALA 388 CO 0.00 0.00 1.33 -2.30 0.00 0.00 0.00 175.76 174.80 3kqx n PRO 389 N 0.05 1.58 -0.16 0.00 -0.02 -1.26 -1.37 135.00 133.83 3kqx n PRO 389 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3kqx n PRO 389 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3kqx n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 390 N 2.37 1.86 0.20 -1.23 0.00 -1.26 -4.93 105.19 102.20 3kqx n GLY 390 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 3kqx n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqx h SER 391 N 0.00 0.00 -5.97 1.61 4.64 -1.59 -3.48 113.55 108.77 3kqx h SER 391 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 3kqx h SER 391 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.18 3kqx h SER 391 CO 0.00 0.00 -0.82 0.23 -0.87 0.00 0.00 176.83 175.37 3kqx n MET 392 N -2.63 -5.27 0.24 4.77 2.81 -1.26 -4.87 117.12 110.91 3kqx n MET 392 Ca 0.01 0.68 0.08 0.00 -1.81 0.00 0.00 57.70 56.66 3kqx n MET 392 Cb 0.25 -5.35 0.60 0.00 -0.71 0.00 0.00 33.22 28.02 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 -1.87 0.99 0.00 2.02 2.10 -1.93 -0.56 117.51 118.27 3kqx h ILE 393 Ca -0.61 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 64.94 3kqx h ILE 393 Cb 1.35 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 3kqx h ILE 393 CO 0.55 0.11 0.00 -0.90 -1.08 0.00 0.00 178.15 176.83 3kqx n ASP 394 N -4.27 0.50 -0.13 2.19 5.75 -1.26 -2.20 116.55 117.14 3kqx n ASP 394 Ca -0.03 0.66 0.12 0.00 -0.01 0.00 0.00 54.79 55.53 3kqx n ASP 394 Cb 0.19 -0.75 0.24 0.00 -1.03 0.00 0.00 41.12 39.77 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 -2.09 0.86 0.00 -2.12 7.94 -0.22 -4.61 117.00 116.76 3kqx n LEU 395 Ca 0.01 -0.20 0.13 0.00 -1.11 0.00 0.00 56.01 54.83 3kqx n LEU 395 Cb 0.15 -0.16 0.66 0.00 0.53 0.00 0.00 43.42 44.60 3kqx n LEU 395 CO 0.15 0.18 0.93 0.23 -1.11 0.00 0.00 177.39 177.77 3kqx n MET 396 N -1.08 0.41 0.24 1.96 2.81 -0.93 -0.93 117.12 119.60 3kqx n MET 396 Ca 0.08 0.04 0.17 0.00 -1.81 0.00 0.00 57.70 56.18 3kqx n MET 396 Cb 0.35 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.11 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 -0.04 0.03 2.10 -1.82 -2.75 116.57 114.09 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 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 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 -3.17 0.05 1.76 0.07 -0.00 -0.11 -4.05 117.46 112.02 3kqx n PHE 398 Ca 0.02 -0.03 0.07 0.00 -0.00 0.00 0.00 57.45 57.51 3kqx n PHE 398 Cb 0.51 0.00 0.40 0.00 -0.00 0.00 0.00 39.48 40.39 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 -0.42 0.00 -1.06 5.98 2.03 -1.04 -1.41 116.55 120.63 3kqx n ASP 399 Ca 0.17 -1.34 0.08 0.00 0.52 0.00 0.00 54.79 54.22 3kqx n ASP 399 Cb 0.18 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.74 3.27 0.05 -0.67 0.00 -0.59 -1.45 117.12 117.00 3kqx n MET 400 Ca 0.10 -2.82 0.07 0.00 0.00 0.00 0.00 57.70 55.05 3kqx n MET 400 Cb 0.05 -1.86 0.51 0.00 0.00 0.00 0.00 33.22 31.91 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 2.28 0.31 -0.12 3.17 0.02 -1.40 -0.44 113.55 117.36 3kqx h SER 401 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3kqx h SER 401 Cb 1.46 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 3kqx h SER 401 CO 0.25 0.22 -0.14 1.23 -1.14 0.00 0.00 176.83 177.24 3kqx h GLY 402 N 0.36 0.33 0.36 -3.77 0.00 -1.77 0.03 103.07 98.62 3kqx h GLY 402 Ca 0.14 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.19 3kqx h GLY 402 CO -0.03 0.32 -0.04 0.00 0.00 0.00 0.00 176.54 176.79 3kqx h ALA 404 N 1.34 1.24 -0.71 0.00 0.00 -0.95 -0.63 119.26 119.55 3kqx h ALA 404 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kqx h ALA 404 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 404 CO -0.33 0.41 0.34 0.00 0.00 0.00 0.00 179.25 179.66 3kqx h ALA 405 N 1.40 0.91 -0.77 0.00 0.00 -0.64 0.48 119.26 120.64 3kqx h ALA 405 Ca 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3kqx h ALA 405 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3kqx h ALA 405 CO -0.15 0.48 0.39 0.28 0.00 0.00 0.00 179.25 180.25 3kqx h VAL 406 N 0.99 1.24 -0.10 0.00 2.07 -0.73 0.17 116.25 119.88 3kqx h VAL 406 Ca 0.24 -0.63 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 3kqx h VAL 406 Cb 0.12 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3kqx h VAL 406 CO -0.03 0.27 -0.70 -0.07 0.02 0.00 0.00 177.57 177.06 3kqx h LEU 407 N 1.07 0.54 -0.94 2.57 3.38 -0.95 -0.82 115.31 120.16 3kqx h LEU 407 Ca 0.27 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kqx h LEU 407 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kqx h LEU 407 CO -0.04 1.08 0.22 1.23 0.09 0.00 0.00 178.44 181.02 3kqx h GLY 408 N 1.18 1.06 1.05 0.83 0.00 -0.72 -0.61 103.07 105.86 3kqx h GLY 408 Ca -0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3kqx h GLY 408 CO 0.12 0.55 0.44 0.00 0.00 0.00 0.00 176.54 177.66 3kqx h ALA 410 N 1.26 1.11 -0.13 0.00 0.00 -0.38 0.78 119.26 121.90 3kqx h ALA 410 Ca 0.30 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kqx h ALA 410 Cb 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kqx h ALA 410 CO -0.04 0.58 -0.01 -0.92 0.00 0.00 0.00 179.25 178.85 3kqx h TYR 411 N 1.20 -0.03 -0.28 0.00 3.20 -0.81 0.53 116.97 120.78 3kqx h TYR 411 Ca 0.31 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 3kqx h TYR 411 Cb -0.04 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3kqx h TYR 411 CO 0.00 -0.03 -0.11 0.00 -1.64 0.00 0.00 178.16 176.39 3kqx h VAL 413 N 0.31 1.06 0.00 0.00 2.07 -0.88 0.33 116.25 119.15 3kqx h VAL 413 Ca 0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3kqx h VAL 413 Cb 0.61 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3kqx h VAL 413 CO 0.04 0.06 -0.03 1.23 0.02 0.00 0.00 177.57 178.89 3kqx h GLY 414 N 0.14 0.00 0.43 2.17 0.00 -0.82 -0.03 103.07 104.96 3kqx h GLY 414 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.07 3kqx h GLY 414 CO -0.01 0.00 -1.65 -0.84 0.00 0.00 0.00 176.54 174.04 3kqx h THR 415 N 0.00 0.80 0.00 4.70 2.02 -0.97 -3.37 112.91 116.10 3kqx h THR 415 Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3kqx h THR 415 Cb 0.08 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3kqx h THR 415 CO 0.00 0.69 -0.24 -0.07 0.37 0.00 0.00 175.52 176.27 3kqx h LEU 416 N -0.32 0.00 -3.20 2.58 3.38 -0.67 -3.49 115.31 113.59 3kqx h LEU 416 Ca -0.37 -0.03 -0.35 0.00 0.09 0.00 0.00 57.88 57.22 3kqx h LEU 416 Cb 1.77 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.55 3kqx h LEU 416 CO -0.00 0.02 -0.76 0.29 0.09 0.00 0.00 178.44 178.08 3kqx n LYS 417 N -2.64 -1.31 -1.90 1.13 5.02 -0.05 -4.96 118.16 113.46 3kqx n LYS 417 Ca 0.04 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.76 3kqx n LYS 417 Cb 0.49 -3.89 0.04 0.00 -0.02 0.00 0.00 35.03 31.65 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 -4.96 2.92 0.41 1.97 0.04 -1.26 -5.02 135.00 129.10 3kqx s PRO 418 Ca 0.21 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 3kqx s PRO 418 Cb -0.08 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3kqx s PRO 418 CO 0.85 -1.29 0.65 -1.21 0.04 0.00 0.00 177.00 176.04 3kqx s GLU 419 N -3.23 3.35 -0.97 4.56 2.02 -1.26 -4.56 118.70 118.60 3kqx s GLU 419 Ca 0.77 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.50 3kqx s GLU 419 Cb -0.34 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3kqx s GLU 419 CO 0.38 -0.08 0.00 0.09 0.02 0.00 0.00 175.26 175.67 3kqx n ASN 420 N -2.00 -4.44 -4.02 -0.19 5.03 -1.26 -4.98 115.26 103.41 3kqx n ASN 420 Ca -0.02 0.23 -0.10 0.00 0.87 0.00 0.00 54.58 55.56 3kqx n ASN 420 Cb 0.56 -2.74 -0.11 0.00 -1.02 0.00 0.00 39.78 36.47 3kqx n ASN 420 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kqx s VAL 421 N -2.23 0.29 -0.08 2.41 0.11 -1.26 0.02 120.40 119.66 3kqx s VAL 421 Ca 0.00 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 3kqx s VAL 421 Cb 0.00 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 3kqx s VAL 421 CO 0.00 -0.49 -0.13 -0.70 -3.33 0.00 0.00 175.10 170.46 3kqx s GLU 422 N -1.67 1.85 -0.06 1.54 2.12 -0.69 -1.19 118.70 120.60 3kqx s GLU 422 Ca -0.12 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 54.80 3kqx s GLU 422 Cb -0.09 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.73 3kqx s GLU 422 CO -0.01 -0.03 -0.16 0.42 -0.54 0.00 0.00 175.26 174.95 3kqx s ILE 423 N 0.86 1.36 -0.16 -3.70 -1.09 -0.36 -1.27 121.20 116.84 3kqx s ILE 423 Ca -0.10 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.63 3kqx s ILE 423 Cb -0.15 -1.20 -0.03 0.00 -1.58 0.00 0.00 42.46 39.50 3kqx s ILE 423 CO 0.01 0.40 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.10 3kqx s HIS 424 N 0.33 3.04 -0.26 3.97 3.76 -0.26 -0.79 115.29 125.09 3kqx s HIS 424 Ca -0.10 -0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 3kqx s HIS 424 Cb -0.14 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.59 3kqx s HIS 424 CO 0.04 -0.03 -0.00 -0.06 -0.85 0.00 0.00 174.74 173.83 3kqx s PHE 425 N 0.41 3.07 -0.01 1.40 0.08 0.54 -0.16 117.98 123.30 3kqx s PHE 425 Ca -0.03 -1.18 0.05 0.00 0.12 0.00 0.00 56.93 55.89 3kqx s PHE 425 Cb -0.14 -2.14 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 3kqx s PHE 425 CO 0.03 -0.62 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.84 3kqx s LEU 426 N 1.43 2.04 -0.21 -0.37 1.43 0.31 -0.54 118.68 122.77 3kqx s LEU 426 Ca 0.02 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 3kqx s LEU 426 Cb -0.16 -0.90 0.08 0.00 0.03 0.00 0.00 46.19 45.25 3kqx s LEU 426 CO -0.02 0.21 0.47 -0.55 0.23 0.00 0.00 176.35 176.69 3kqx s SER 427 N -0.46 -0.50 -0.86 2.29 0.15 -0.39 -1.09 113.70 112.85 3kqx s SER 427 Ca 0.07 1.08 -0.24 0.00 0.70 0.00 0.00 55.95 57.55 3kqx s SER 427 Cb -0.07 1.28 0.05 0.00 -1.71 0.00 0.00 66.02 65.57 3kqx s SER 427 CO -0.01 -0.22 1.29 0.00 1.20 0.00 0.00 173.24 175.50 3kqx s ALA 428 N 2.18 2.85 -0.04 5.45 0.00 -1.26 -0.89 121.76 130.05 3kqx s ALA 428 Ca -0.05 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.79 3kqx s ALA 428 Cb -0.10 -4.29 -0.05 0.00 0.00 0.00 0.00 23.12 18.68 3kqx s ALA 428 CO -0.14 -3.31 0.51 0.08 0.00 0.00 0.00 175.76 172.89 3kqx s VAL 429 N 4.88 5.03 0.23 0.00 1.01 -0.79 -4.16 120.40 126.60 3kqx s VAL 429 Ca 0.37 1.04 -0.21 0.00 0.00 0.00 0.00 61.98 63.19 3kqx s VAL 429 Cb -0.06 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.56 3kqx s VAL 429 CO 0.02 0.43 0.99 0.00 0.00 0.00 0.00 175.10 176.54 3kqx s GLU 431 N -2.11 1.27 -0.50 0.00 2.12 -1.26 -1.84 118.70 116.39 3kqx s GLU 431 Ca 0.21 -0.42 -0.13 0.00 0.36 0.00 0.00 54.97 54.98 3kqx s GLU 431 Cb -0.03 -1.15 0.11 0.00 0.26 0.00 0.00 34.13 33.32 3kqx s GLU 431 CO 0.07 0.17 0.41 1.21 -0.54 0.00 0.00 175.26 176.58 3kqx s ASN 432 N 0.12 6.00 0.39 -1.70 2.47 -0.45 -4.43 114.94 117.35 3kqx s ASN 432 Ca -0.03 -1.69 0.03 0.00 0.42 0.00 0.00 52.86 51.60 3kqx s ASN 432 Cb -0.10 -2.13 -0.04 0.00 -1.45 0.00 0.00 41.25 37.54 3kqx s ASN 432 CO 0.01 -0.74 0.09 -0.04 -3.72 0.00 0.00 177.10 172.70 3kqx s MET 433 N 1.53 1.87 -0.18 0.43 -1.94 -1.26 -1.99 119.30 117.77 3kqx s MET 433 Ca 0.04 -2.12 -0.03 0.00 -1.71 0.00 0.00 55.69 51.87 3kqx s MET 433 Cb -0.27 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 35.72 3kqx s MET 433 CO 0.03 -0.36 -0.05 0.08 -0.01 0.00 0.00 175.02 174.71 3kqx s VAL 434 N -3.19 3.63 0.14 -6.03 1.01 -1.26 -4.56 120.40 110.13 3kqx s VAL 434 Ca 0.26 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 3kqx s VAL 434 Cb 0.05 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.89 3kqx s VAL 434 CO 0.13 0.47 0.74 -0.55 0.00 0.00 0.00 175.10 175.89 3kqx s SER 435 N 0.79 -0.41 0.63 3.32 0.15 -1.26 -4.99 113.70 111.93 3kqx s SER 435 Ca -0.02 -0.16 0.38 0.00 0.70 0.00 0.00 55.95 56.86 3kqx s SER 435 Cb -0.15 0.55 2.12 0.00 -1.71 0.00 0.00 66.02 66.83 3kqx s SER 435 CO 0.02 -0.93 2.30 0.07 1.20 0.00 0.00 173.24 175.89 3kqx h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.98 -2.92 116.57 121.19 3kqx h LYS 436 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 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 0.32 0.01 -0.02 0.09 -2.00 0.00 0.00 179.45 177.84 3kqx n ASN 437 N -3.38 1.83 -4.77 7.07 3.02 -1.26 -4.99 115.26 112.78 3kqx n ASN 437 Ca -0.03 -1.58 -0.34 0.00 -0.03 0.00 0.00 54.58 52.60 3kqx n ASN 437 Cb 0.10 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.04 5.53 0.75 6.41 0.01 -1.11 -3.65 113.70 119.61 3kqx s SER 438 Ca 0.35 2.12 -0.12 0.00 1.31 0.00 0.00 55.95 59.61 3kqx s SER 438 Cb 0.21 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.91 3kqx s SER 438 CO 0.34 -1.34 1.10 -0.72 0.41 0.00 0.00 173.24 173.03 3kqx s TYR 439 N -1.96 2.54 0.23 2.43 -0.00 -1.26 -4.87 117.35 114.46 3kqx s TYR 439 Ca 0.71 1.56 0.10 0.00 -0.00 0.00 0.00 57.07 59.45 3kqx s TYR 439 Cb -0.23 -3.09 -0.04 0.00 -0.00 0.00 0.00 41.96 38.60 3kqx s TYR 439 CO 0.32 -1.82 -0.14 1.03 -0.00 0.00 0.00 175.55 174.93 3kqx s ARG 440 N -4.69 1.88 0.06 -3.49 0.52 -1.26 -4.69 118.95 107.28 3kqx s ARG 440 Ca 0.63 -1.50 -0.36 0.00 -0.52 0.00 0.00 55.73 53.98 3kqx s ARG 440 Cb -0.18 -1.98 -0.16 0.00 0.52 0.00 0.00 34.95 33.15 3kqx s ARG 440 CO 0.53 0.38 1.45 -2.30 0.02 0.00 0.00 175.30 175.38 3kqx n PRO 441 N -0.28 1.40 0.00 3.54 -0.02 -1.26 -1.27 135.00 137.11 3kqx n PRO 441 Ca -0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kqx n PRO 441 Cb 0.58 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.94 3.30 3.67 -1.23 0.00 0.22 -5.01 105.19 109.08 3kqx n GLY 442 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3kqx n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqx n ASP 443 N 0.04 1.79 -4.34 1.61 9.92 -0.39 -4.50 116.55 120.68 3kqx n ASP 443 Ca 0.00 0.95 -0.34 0.00 -0.53 0.00 0.00 54.79 54.87 3kqx n ASP 443 Cb 0.00 -1.47 -0.14 0.00 -0.64 0.00 0.00 41.12 38.87 3kqx n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqx s ILE 444 N -1.35 3.17 0.16 0.53 1.01 -1.26 -0.72 121.20 122.73 3kqx s ILE 444 Ca 0.70 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.83 3kqx s ILE 444 Cb -0.45 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3kqx s ILE 444 CO 0.51 0.49 -0.14 0.27 0.00 0.00 0.00 174.94 176.06 3kqx s ILE 445 N 0.82 1.52 -0.19 2.92 -4.36 -0.45 -4.93 121.20 116.53 3kqx s ILE 445 Ca -0.03 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3kqx s ILE 445 Cb -0.15 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.78 3kqx s ILE 445 CO 0.01 -0.49 -0.14 -0.89 0.24 0.00 0.00 174.94 173.66 3kqx s THR 446 N -2.53 2.58 0.76 8.37 2.01 -1.26 -0.20 115.64 125.38 3kqx s THR 446 Ca 0.15 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3kqx s THR 446 Cb -0.03 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.41 3kqx s THR 446 CO 0.04 0.50 1.10 0.00 -0.69 0.00 0.00 174.62 175.57 3kqx s ALA 447 N 1.31 2.53 -0.35 7.40 0.00 -0.30 -2.65 121.76 129.69 3kqx s ALA 447 Ca 0.04 -0.31 0.21 0.00 0.00 0.00 0.00 51.96 51.91 3kqx s ALA 447 Cb -0.14 -3.06 1.04 0.00 0.00 0.00 0.00 23.12 20.96 3kqx s ALA 447 CO -0.08 -1.50 1.64 -1.13 0.00 0.00 0.00 175.76 174.69 3kqx n SER 448 N -3.26 0.56 -0.70 0.00 3.41 -1.00 -0.70 113.62 111.93 3kqx n SER 448 Ca 0.07 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.49 3kqx n SER 448 Cb 0.57 -0.80 0.30 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.20 2.08 0.00 4.04 6.94 -1.26 -4.94 115.26 119.92 3kqx n ASN 449 Ca -0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 3kqx n ASN 449 Cb 0.10 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3kqx n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqx n GLY 450 N 1.19 1.25 3.70 4.83 0.00 0.12 -5.03 105.19 111.25 3kqx n GLY 450 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.55 4.27 0.20 1.61 1.02 -1.26 -4.75 119.74 120.27 3kqx s LYS 451 Ca 0.00 2.12 -0.20 0.00 0.02 0.00 0.00 55.97 57.90 3kqx s LYS 451 Cb 0.00 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 3kqx s LYS 451 CO 0.00 -0.57 0.71 0.95 -0.92 0.00 0.00 175.35 175.52 3kqx s THR 452 N 1.94 4.56 -0.07 2.17 -4.23 -1.26 -1.15 115.64 117.59 3kqx s THR 452 Ca 0.67 1.34 0.02 0.00 -1.18 0.00 0.00 61.69 62.54 3kqx s THR 452 Cb -0.36 -3.91 0.01 0.00 1.34 0.00 0.00 72.50 69.58 3kqx s THR 452 CO 0.29 0.30 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.92 3kqx s ILE 453 N -1.41 1.15 -0.29 2.99 1.01 0.72 -1.99 121.20 123.38 3kqx s ILE 453 Ca 0.40 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3kqx s ILE 453 Cb -0.18 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3kqx s ILE 453 CO 0.22 0.36 0.66 -0.70 0.00 0.00 0.00 174.94 175.48 3kqx s GLU 454 N 0.82 3.99 -0.20 2.79 2.12 0.29 -1.34 118.70 127.17 3kqx s GLU 454 Ca -0.12 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 3kqx s GLU 454 Cb -0.15 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 3kqx s GLU 454 CO 0.02 -0.53 1.15 0.08 -0.54 0.00 0.00 175.26 175.43 3kqx s VAL 455 N 2.64 4.49 -0.06 3.70 1.01 0.10 -1.20 120.40 131.08 3kqx s VAL 455 Ca 0.27 1.80 0.21 0.00 0.00 0.00 0.00 61.98 64.26 3kqx s VAL 455 Cb -0.15 -4.17 -0.32 0.00 0.00 0.00 0.00 36.38 31.74 3kqx s VAL 455 CO 0.11 -0.17 0.40 0.61 0.00 0.00 0.00 175.10 176.04 3kqx n GLY 456 N 3.48 -0.99 3.60 4.51 0.00 -1.26 0.72 105.19 115.25 3kqx n GLY 456 Ca 0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.68 -1.11 0.05 1.61 3.84 -1.26 -4.70 114.94 108.68 3kqx s ASN 457 Ca -0.08 1.51 0.19 0.00 0.21 0.00 0.00 52.86 54.69 3kqx s ASN 457 Cb 0.12 2.25 0.81 0.00 -0.55 0.00 0.00 41.25 43.88 3kqx s ASN 457 CO 0.89 -0.22 1.61 0.35 -2.79 0.00 0.00 177.10 176.93 3kqx n THR 458 N 5.45 0.75 1.56 -5.21 -2.24 -1.26 -1.39 114.28 111.94 3kqx n THR 458 Ca -0.11 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.98 3kqx n THR 458 Cb 0.49 -0.90 0.58 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.64 1.23 -3.17 3.42 2.03 -0.93 -3.61 116.55 113.88 3kqx n ASP 459 Ca 0.04 -1.38 -0.39 0.00 0.52 0.00 0.00 54.79 53.58 3kqx n ASP 459 Cb 0.23 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.06 6.18 0.10 -1.67 0.00 -0.49 -4.69 120.51 119.87 3kqx n ALA 460 Ca 0.19 -4.35 -0.00 0.00 0.00 0.00 0.00 53.44 49.28 3kqx n ALA 460 Cb 0.32 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 3.43 0.00 -0.52 0.00 9.09 -1.79 -3.37 114.58 121.43 3kqx h GLU 461 Ca 0.52 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.96 3kqx h GLU 461 Cb 0.21 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.28 3kqx h GLU 461 CO 1.27 0.56 0.30 0.78 0.05 0.00 0.00 179.01 181.98 3kqx h GLY 462 N 3.44 0.74 2.00 1.06 0.00 -1.92 -2.19 103.07 106.19 3kqx h GLY 462 Ca -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3kqx h GLY 462 CO 0.08 0.18 -0.14 0.07 0.00 0.00 0.00 176.54 176.72 3kqx h ARG 463 N 0.59 0.00 -0.06 4.80 0.11 -1.95 -0.99 114.38 116.89 3kqx h ARG 463 Ca 0.21 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.24 3kqx h ARG 463 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 3kqx h ARG 463 CO -0.11 0.14 -0.18 -0.07 0.10 0.00 0.00 179.97 179.85 3kqx h LEU 464 N 0.00 0.26 -0.73 0.08 3.38 -1.58 -1.25 115.31 115.47 3kqx h LEU 464 Ca -0.00 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 3kqx h LEU 464 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3kqx h LEU 464 CO 0.02 0.82 -0.15 0.71 0.09 0.00 0.00 178.44 179.93 3kqx h THR 465 N -0.29 1.26 -0.13 0.22 1.35 -1.29 -2.56 112.91 111.47 3kqx h THR 465 Ca -0.01 -1.24 -0.09 0.00 -0.55 0.00 0.00 66.41 64.52 3kqx h THR 465 Cb 0.80 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3kqx h THR 465 CO 0.04 0.42 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.35 3kqx h LEU 466 N 0.73 0.25 -0.12 3.87 3.38 -1.20 -2.29 115.31 119.93 3kqx h LEU 466 Ca 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kqx h LEU 466 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3kqx h LEU 466 CO 0.05 0.56 0.03 0.00 0.09 0.00 0.00 178.44 179.16 3kqx h ALA 467 N 1.46 0.12 -0.50 1.53 0.00 -0.80 0.15 119.26 121.22 3kqx h ALA 467 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 467 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kqx h ALA 467 CO 0.05 -0.43 0.06 -0.44 0.00 0.00 0.00 179.25 178.49 3kqx h ASP 468 N 0.08 0.75 0.08 0.00 3.32 -1.44 -2.00 116.42 117.22 3kqx h ASP 468 Ca 0.05 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 3kqx h ASP 468 Cb 0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3kqx h ASP 468 CO -0.06 0.79 -0.42 0.00 -1.72 0.00 0.00 179.24 177.82 3kqx h ALA 469 N 1.31 0.94 -0.44 3.45 0.00 -0.96 -1.61 119.26 121.94 3kqx h ALA 469 Ca 0.16 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3kqx h ALA 469 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kqx h ALA 469 CO 0.01 0.63 -0.19 -0.07 0.00 0.00 0.00 179.25 179.63 3kqx h LEU 470 N 0.35 0.88 -0.65 0.00 3.38 -0.55 0.28 115.31 119.01 3kqx h LEU 470 Ca 0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kqx h LEU 470 Cb 0.89 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3kqx h LEU 470 CO 0.07 1.05 0.35 0.58 0.09 0.00 0.00 178.44 180.59 3kqx h VAL 471 N 0.76 1.21 -0.34 1.22 2.07 -1.22 -1.05 116.25 118.90 3kqx h VAL 471 Ca 0.11 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3kqx h VAL 471 Cb 0.73 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3kqx h VAL 471 CO 0.06 0.23 0.08 0.22 0.02 0.00 0.00 177.57 178.17 3kqx h TYR 472 N 0.89 0.58 -0.81 1.57 3.20 -1.05 -2.26 116.97 119.09 3kqx h TYR 472 Ca 0.23 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3kqx h TYR 472 Cb 0.05 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3kqx h TYR 472 CO -0.01 0.60 0.51 0.00 -1.64 0.00 0.00 178.16 177.62 3kqx h ALA 473 N 0.92 1.03 -0.36 1.82 0.00 -0.70 -2.57 119.26 119.39 3kqx h ALA 473 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kqx h ALA 473 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kqx h ALA 473 CO 0.00 0.48 -0.07 1.49 0.00 0.00 0.00 179.25 181.15 3kqx h GLU 474 N 1.11 0.61 0.00 0.00 4.81 -0.95 -2.05 114.58 118.11 3kqx h GLU 474 Ca 0.29 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kqx h GLU 474 Cb -0.07 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3kqx h GLU 474 CO -0.06 0.68 0.00 0.87 -0.73 0.00 0.00 179.01 179.77 3kqx h LYS 475 N 0.57 0.00 0.00 1.92 1.57 -1.00 -2.04 116.57 117.58 3kqx h LYS 475 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kqx h LYS 475 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kqx h LYS 475 CO 0.02 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.83 3kqx h LEU 476 N 0.00 0.00 -2.20 2.94 3.38 -1.22 -3.48 115.31 114.73 3kqx h LEU 476 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kqx h LEU 476 Cb 0.20 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.00 3kqx h LEU 476 CO 0.00 0.00 -0.23 0.61 0.09 0.00 0.00 178.44 178.91 3kqx n GLY 477 N 0.44 0.25 3.98 0.83 0.00 -0.77 -5.05 105.19 104.87 3kqx n GLY 477 Ca 0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.11 4.26 0.09 1.61 -7.23 -1.26 -4.94 120.40 109.82 3kqx s VAL 478 Ca 0.04 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 3kqx s VAL 478 Cb -0.01 -3.49 -0.26 0.00 0.56 0.00 0.00 36.38 33.18 3kqx s VAL 478 CO 0.21 -0.21 1.17 0.44 -0.31 0.00 0.00 175.10 176.41 3kqx h ASP 479 N 0.88 0.29 -3.77 4.85 3.32 -0.27 -3.48 116.42 118.24 3kqx h ASP 479 Ca -0.47 -0.31 -0.25 0.00 0.02 0.00 0.00 57.03 56.02 3kqx h ASP 479 Cb 1.25 -0.09 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 3kqx h ASP 479 CO 0.55 1.24 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.27 3kqx s TYR 480 N -2.67 0.09 -0.18 4.55 2.02 -1.11 -4.06 117.35 115.99 3kqx s TYR 480 Ca -0.03 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3kqx s TYR 480 Cb 0.08 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.59 3kqx s TYR 480 CO 0.86 -0.00 -0.16 0.42 -1.57 0.00 0.00 175.55 175.10 3kqx s ILE 481 N -0.03 2.47 -0.11 2.71 1.01 -0.61 -0.97 121.20 125.68 3kqx s ILE 481 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3kqx s ILE 481 Cb -0.00 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3kqx s ILE 481 CO -0.00 0.51 -0.21 -0.69 0.00 0.00 0.00 174.94 174.55 3kqx s VAL 482 N 1.18 1.91 0.14 2.92 1.01 -0.24 -1.32 120.40 126.01 3kqx s VAL 482 Ca 0.02 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3kqx s VAL 482 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3kqx s VAL 482 CO -0.07 0.52 -0.08 1.51 0.00 0.00 0.00 175.10 176.98 3kqx s ASP 483 N 0.63 4.42 -0.02 3.32 1.47 0.09 -0.67 116.67 125.91 3kqx s ASP 483 Ca -0.13 -0.44 0.01 0.00 1.18 0.00 0.00 52.55 53.17 3kqx s ASP 483 Cb -0.16 -0.83 0.02 0.00 -0.34 0.00 0.00 42.92 41.60 3kqx s ASP 483 CO 0.03 0.14 -0.01 -0.51 0.68 0.00 0.00 175.17 175.51 3kqx s ILE 484 N -1.44 0.18 -0.26 2.11 2.07 0.55 -0.34 121.20 124.07 3kqx s ILE 484 Ca 0.23 0.04 -0.24 0.00 -1.41 0.00 0.00 60.65 59.27 3kqx s ILE 484 Cb -0.10 -0.24 0.07 0.00 0.13 0.00 0.00 42.46 42.32 3kqx s ILE 484 CO 0.15 0.12 0.69 0.00 -1.91 0.00 0.00 174.94 173.99 3kqx s ALA 485 N 0.73 -1.70 -1.34 1.50 0.00 -0.47 -1.62 121.76 118.86 3kqx s ALA 485 Ca -0.07 1.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.70 3kqx s ALA 485 Cb -0.10 -1.12 0.11 0.00 0.00 0.00 0.00 23.12 22.01 3kqx s ALA 485 CO -0.01 -0.32 1.93 0.25 0.00 0.00 0.00 175.76 177.61 3kqx n THR 486 N 2.70 3.99 -0.10 0.00 -2.24 -1.26 -0.27 114.28 117.10 3kqx n THR 486 Ca -0.14 -3.93 -0.18 0.00 -2.27 0.00 0.00 64.05 57.54 3kqx n THR 486 Cb 0.55 -2.46 -0.09 0.00 -2.10 0.00 0.00 70.33 66.23 3kqx n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqx h LEU 487 N 9.30 0.00 -8.24 3.22 5.85 -1.91 -3.44 115.31 120.09 3kqx h LEU 487 Ca 0.45 -0.40 -0.60 0.00 0.84 0.00 0.00 57.88 58.17 3kqx h LEU 487 Cb 0.69 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.39 3kqx h LEU 487 CO 1.66 1.32 -0.85 0.42 -0.34 0.00 0.00 178.44 180.64 3kqx s THR 488 N -2.33 1.60 0.60 1.05 -4.23 -1.26 -4.96 115.64 106.11 3kqx s THR 488 Ca -0.25 -0.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.77 3kqx s THR 488 Cb 0.05 -1.39 0.36 0.00 1.34 0.00 0.00 72.50 72.86 3kqx s THR 488 CO 0.51 0.46 2.22 1.23 -0.54 0.00 0.00 174.62 178.50 3kqx h GLY 489 N 6.47 0.00 1.62 3.99 0.00 -1.93 -2.43 103.07 110.79 3kqx h GLY 489 Ca -0.29 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.05 3kqx h GLY 489 CO 0.47 0.00 0.18 0.00 0.00 0.00 0.00 176.54 177.20 3kqx h ALA 490 N 1.94 1.27 -0.51 3.60 0.00 -1.96 -1.76 119.26 121.83 3kqx h ALA 490 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kqx h ALA 490 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kqx h ALA 490 CO -0.00 -0.20 0.34 0.52 0.00 0.00 0.00 179.25 179.91 3kqx h MET 491 N 0.00 0.58 0.00 0.00 2.86 -1.83 -0.11 114.93 116.43 3kqx h MET 491 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3kqx h MET 491 Cb 0.38 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3kqx h MET 491 CO -0.00 0.38 -0.11 -0.07 1.06 0.00 0.00 176.91 178.17 3kqx h LEU 492 N 0.59 0.00 0.00 1.22 3.38 -1.55 -0.74 115.31 118.22 3kqx h LEU 492 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kqx h LEU 492 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kqx h LEU 492 CO -0.05 0.11 -0.80 -1.22 0.09 0.00 0.00 178.44 176.57 3kqx n TYR 493 N -3.68 0.32 -0.03 1.13 4.02 -0.12 -3.40 117.16 115.40 3kqx n TYR 493 Ca -0.02 0.09 -0.04 0.00 -0.01 0.00 0.00 57.90 57.93 3kqx n TYR 493 Cb 0.23 -0.47 -0.01 0.00 -0.02 0.00 0.00 39.34 39.06 3kqx n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqx n SER 494 N -1.93 0.80 -0.01 7.72 3.41 -0.81 -4.82 113.62 117.99 3kqx n SER 494 Ca 0.03 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 58.86 3kqx n SER 494 Cb 0.42 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 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 -3.31 0.28 0.00 1.04 4.77 -0.61 -5.09 117.00 114.09 3kqx n LEU 495 Ca -0.06 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3kqx n LEU 495 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kqx n LEU 495 CO 0.08 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3kqx n GLY 496 N 1.45 -0.08 0.30 -0.72 0.00 -0.38 -4.29 105.19 101.46 3kqx n GLY 496 Ca -0.01 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.13 2.61 -2.24 -1.26 -4.30 114.28 108.96 3kqx n THR 497 Ca 0.00 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.44 3kqx n THR 497 Cb 0.00 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.59 1.99 -4.53 3.42 7.64 -1.26 -4.29 113.62 115.99 3kqx n SER 498 Ca 0.08 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 3kqx n SER 498 Cb 0.41 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.52 2.96 0.50 1.43 1.51 -1.26 -4.55 117.35 115.42 3kqx s TYR 499 Ca -0.35 -0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 55.42 3kqx s TYR 499 Cb 0.09 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 40.07 3kqx s TYR 499 CO 0.59 0.15 0.92 0.00 -1.11 0.00 0.00 175.55 176.10 3kqx s ALA 500 N -0.30 3.17 -0.14 3.71 0.00 -0.43 -4.64 121.76 123.14 3kqx s ALA 500 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 3kqx s ALA 500 Cb -0.13 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 3kqx s ALA 500 CO 0.02 -0.26 0.21 0.20 0.00 0.00 0.00 175.76 175.93 3kqx s GLY 501 N -3.37 2.18 -0.09 0.00 0.00 -1.16 -0.18 107.32 104.70 3kqx s GLY 501 Ca 0.55 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.73 3kqx s GLY 501 CO 0.36 0.03 -0.14 0.54 0.00 0.00 0.00 173.10 173.90 3kqx s VAL 502 N -0.28 3.04 0.22 1.40 0.11 0.14 -1.24 120.40 123.80 3kqx s VAL 502 Ca 0.15 -0.69 0.10 0.00 -2.93 0.00 0.00 61.98 58.60 3kqx s VAL 502 Cb -0.13 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 3kqx s VAL 502 CO 0.03 0.55 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.81 3kqx s PHE 503 N -0.11 2.02 0.02 1.54 0.08 -0.10 -0.21 117.98 121.22 3kqx s PHE 503 Ca -0.01 -0.43 -0.28 0.00 0.12 0.00 0.00 56.93 56.32 3kqx s PHE 503 Cb -0.14 -0.94 0.10 0.00 -0.57 0.00 0.00 43.02 41.48 3kqx s PHE 503 CO 0.04 0.50 1.23 0.20 -0.10 0.00 0.00 175.22 177.09 3kqx s GLY 504 N -3.14 -0.25 0.00 4.36 0.00 -1.26 -0.40 107.32 106.62 3kqx s GLY 504 Ca 0.23 0.33 0.16 0.00 0.00 0.00 0.00 44.72 45.44 3kqx s GLY 504 CO 0.10 2.00 1.34 1.16 0.00 0.00 0.00 173.10 177.70 3kqx n ASN 505 N -0.75 3.26 -3.66 1.64 0.23 -0.55 -4.83 115.26 110.61 3kqx n ASN 505 Ca -0.04 -1.97 -0.08 0.00 -0.53 0.00 0.00 54.58 51.96 3kqx n ASN 505 Cb 0.61 -0.31 -0.09 0.00 -2.08 0.00 0.00 39.78 37.91 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 -1.04 -0.31 0.10 0.53 3.84 -1.26 -4.85 114.94 111.95 3kqx s ASN 506 Ca 0.33 1.01 -0.15 0.00 0.21 0.00 0.00 52.86 54.26 3kqx s ASN 506 Cb 0.17 1.35 -0.07 0.00 -0.55 0.00 0.00 41.25 42.15 3kqx s ASN 506 CO 0.23 -0.23 1.45 -0.08 -2.79 0.00 0.00 177.10 175.68 3kqx h GLU 507 N 8.10 0.68 -0.42 0.43 4.81 -1.96 -1.73 114.58 124.49 3kqx h GLU 507 Ca -0.17 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 58.83 3kqx h GLU 507 Cb 1.11 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 3kqx h GLU 507 CO 0.13 0.91 -0.21 1.49 -0.73 0.00 0.00 179.01 180.60 3kqx h GLU 508 N 0.43 -0.13 -0.37 1.92 4.81 -1.99 0.81 114.58 120.06 3kqx h GLU 508 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kqx h GLU 508 Cb 0.74 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3kqx h GLU 508 CO 0.05 -0.09 0.20 1.25 -0.73 0.00 0.00 179.01 179.70 3kqx h LEU 509 N -0.14 0.46 -0.43 1.64 5.85 -1.94 -1.96 115.31 118.79 3kqx h LEU 509 Ca 0.20 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3kqx h LEU 509 Cb 0.45 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3kqx h LEU 509 CO -0.50 0.41 -0.04 0.40 -0.34 0.00 0.00 178.44 178.38 3kqx h ILE 510 N 0.47 0.64 -0.42 4.05 2.04 -0.95 -1.06 117.51 122.26 3kqx h ILE 510 Ca 0.13 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3kqx h ILE 510 Cb 0.06 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kqx h ILE 510 CO -0.02 0.01 0.28 0.78 0.00 0.00 0.00 178.15 179.20 3kqx h ASN 511 N 0.07 0.42 -0.47 1.72 2.35 -0.67 -0.90 115.58 118.09 3kqx h ASN 511 Ca 0.21 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3kqx h ASN 511 Cb 0.31 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3kqx h ASN 511 CO -0.38 0.29 0.03 0.11 -1.65 0.00 0.00 177.43 175.83 3kqx h LYS 512 N 0.48 0.81 -0.80 0.81 1.57 -0.61 -0.70 116.57 118.13 3kqx h LYS 512 Ca 0.17 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3kqx h LYS 512 Cb 0.08 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3kqx h LYS 512 CO -0.04 0.85 0.40 0.82 -0.57 0.00 0.00 179.45 180.90 3kqx h ILE 513 N 0.67 1.25 -0.62 1.86 1.08 -0.46 -1.82 117.51 119.47 3kqx h ILE 513 Ca 0.14 -0.69 -0.09 0.00 -0.39 0.00 0.00 64.86 63.83 3kqx h ILE 513 Cb 0.46 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3kqx h ILE 513 CO 0.02 0.29 0.03 -0.07 -0.69 0.00 0.00 178.15 177.73 3kqx h LEU 514 N 1.13 1.05 -0.29 1.44 3.38 -1.03 0.43 115.31 121.42 3kqx h LEU 514 Ca 0.28 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kqx h LEU 514 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kqx h LEU 514 CO -0.04 1.08 0.16 -0.61 0.09 0.00 0.00 178.44 179.13 3kqx h GLN 515 N 0.98 0.33 -0.31 1.13 5.75 -1.04 -1.45 115.11 120.50 3kqx h GLN 515 Ca 0.18 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 3kqx h GLN 515 Cb 0.53 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3kqx h GLN 515 CO 0.03 0.22 0.21 0.77 -2.65 0.00 0.00 178.83 177.40 3kqx h SER 516 N 0.33 0.34 -0.45 -0.69 0.02 -0.86 -2.11 113.55 110.13 3kqx h SER 516 Ca 0.12 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kqx h SER 516 Cb 0.01 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3kqx h SER 516 CO -0.07 0.24 0.19 -1.28 -1.14 0.00 0.00 176.83 174.78 3kqx h SER 517 N 0.40 0.61 -0.38 3.07 0.87 -0.46 -0.13 113.55 117.52 3kqx h SER 517 Ca 0.12 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3kqx h SER 517 Cb -0.02 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3kqx h SER 517 CO -0.03 0.60 0.19 0.11 -0.53 0.00 0.00 176.83 177.18 3kqx h LYS 518 N 0.58 0.55 0.00 2.24 1.57 -0.76 -1.76 116.57 118.99 3kqx h LYS 518 Ca 0.15 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3kqx h LYS 518 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3kqx h LYS 518 CO -0.01 0.47 -0.45 1.79 -0.57 0.00 0.00 179.45 180.67 3kqx h THR 519 N 0.49 0.46 0.00 -0.16 1.35 -1.35 -3.14 112.91 110.56 3kqx h THR 519 Ca 0.13 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3kqx h THR 519 Cb 0.10 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3kqx h THR 519 CO -0.02 0.26 -0.32 0.77 -0.25 0.00 0.00 175.52 175.96 3kqx h SER 520 N 0.00 0.00 -2.07 5.36 4.64 -1.04 -3.47 113.55 116.97 3kqx h SER 520 Ca -0.02 -0.06 -0.42 0.00 -0.47 0.00 0.00 61.79 60.83 3kqx h SER 520 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 3kqx h SER 520 CO 0.04 0.03 -0.46 0.59 -0.87 0.00 0.00 176.83 176.16 3kqx n ASN 521 N -2.52 -5.63 -4.30 4.97 3.02 -0.67 -4.83 115.26 105.29 3kqx n ASN 521 Ca 0.04 0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.43 3kqx n ASN 521 Cb 0.48 -4.83 -0.11 0.00 -0.61 0.00 0.00 39.78 34.72 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 -4.42 2.67 0.10 3.52 2.02 -1.17 -4.96 118.70 116.46 3kqx s GLU 522 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 3kqx s GLU 522 Cb 0.00 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.45 3kqx s GLU 522 CO 0.00 -0.84 1.07 -1.25 0.02 0.00 0.00 175.26 174.26 3kqx s PRO 523 N 1.46 4.57 0.08 0.39 0.04 -1.26 -4.58 135.00 135.69 3kqx s PRO 523 Ca 0.02 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.73 3kqx s PRO 523 Cb -0.21 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 3kqx s PRO 523 CO 0.04 -0.01 -0.13 0.08 0.04 0.00 0.00 177.00 177.02 3kqx s VAL 524 N 0.38 1.09 -0.04 -0.36 1.01 -1.26 -1.31 120.40 119.91 3kqx s VAL 524 Ca 0.52 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3kqx s VAL 524 Cb -0.27 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kqx s VAL 524 CO 0.31 -0.30 -0.11 0.86 0.00 0.00 0.00 175.10 175.86 3kqx s TRP 525 N -1.55 1.23 -0.08 5.22 -0.11 0.75 -4.90 118.94 119.51 3kqx s TRP 525 Ca 0.00 -0.37 -0.30 0.00 1.22 0.00 0.00 56.10 56.66 3kqx s TRP 525 Cb -0.08 -0.89 -0.04 0.00 -1.50 0.00 0.00 33.47 30.96 3kqx s TRP 525 CO 0.02 -0.17 1.46 -0.46 -4.62 0.00 0.00 176.95 173.18 3kqx s TRP 526 N 0.35 2.49 0.18 5.86 -0.00 -1.26 -0.68 118.94 125.87 3kqx s TRP 526 Ca -0.07 0.62 0.09 0.00 -0.00 0.00 0.00 56.10 56.74 3kqx s TRP 526 Cb -0.12 -3.71 -0.04 0.00 -0.00 0.00 0.00 33.47 29.60 3kqx s TRP 526 CO 0.02 -2.78 -0.12 -0.51 -0.00 0.00 0.00 176.95 173.55 3kqx s LEU 527 N 3.44 2.87 0.23 5.86 1.43 0.70 -4.91 118.68 128.30 3kqx s LEU 527 Ca 0.65 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3kqx s LEU 527 Cb -0.29 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 3kqx s LEU 527 CO 0.24 0.11 0.67 -2.16 0.23 0.00 0.00 176.35 175.44 3kqx s PRO 528 N -2.77 4.09 -0.52 1.29 0.04 -1.26 -4.38 135.00 131.49 3kqx s PRO 528 Ca 0.24 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.77 3kqx s PRO 528 Cb -0.09 -2.77 0.06 0.00 0.04 0.00 0.00 34.50 31.74 3kqx s PRO 528 CO 0.14 0.36 0.66 0.42 0.04 0.00 0.00 177.00 178.61 3kqx s ILE 529 N -1.64 4.83 -0.53 0.56 1.01 -1.26 -4.84 121.20 119.34 3kqx s ILE 529 Ca 0.45 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 3kqx s ILE 529 Cb -0.14 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 38.03 3kqx s ILE 529 CO 0.20 -0.86 0.87 -0.63 0.00 0.00 0.00 174.94 174.51 3kqx s ILE 530 N 2.75 4.50 0.49 2.92 1.01 -1.26 -4.91 121.20 126.69 3kqx s ILE 530 Ca 0.16 0.20 0.23 0.00 0.00 0.00 0.00 60.65 61.24 3kqx s ILE 530 Cb -0.19 -4.47 0.28 0.00 0.01 0.00 0.00 42.46 38.09 3kqx s ILE 530 CO 0.12 -1.01 2.12 0.78 0.00 0.00 0.00 174.94 176.95 3kqx h ASN 531 N 9.21 0.00 -0.25 3.58 4.21 -1.99 -1.94 115.58 128.40 3kqx h ASN 531 Ca -0.26 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.32 3kqx h ASN 531 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 3kqx h ASN 531 CO 1.05 0.09 0.26 -0.08 -1.29 0.00 0.00 177.43 177.46 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 -1.34 114.58 116.82 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 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3kqx h GLU 532 CO 0.01 0.00 -0.19 0.66 -0.73 0.00 0.00 179.01 178.76 3kqx n TYR 533 N -3.85 0.00 -0.14 0.92 4.01 -0.73 -4.16 117.16 113.22 3kqx n TYR 533 Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 3kqx n TYR 533 Cb 0.40 -0.36 0.40 0.00 -0.31 0.00 0.00 39.34 39.48 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kqx h ARG 534 N 0.08 0.62 0.00 -0.72 9.65 -1.41 -0.86 114.38 121.74 3kqx h ARG 534 Ca 0.00 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kqx h ARG 534 Cb 0.48 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3kqx h ARG 534 CO 0.00 0.41 -0.02 0.00 2.80 0.00 0.00 179.97 183.16 3kqx h ALA 535 N 1.64 1.10 0.00 2.80 0.00 -1.79 0.05 119.26 123.06 3kqx h ALA 535 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kqx h ALA 535 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kqx h ALA 535 CO -0.10 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.43 3kqx n THR 536 N -3.25 0.10 0.65 0.00 -2.24 -0.33 -2.02 114.28 107.18 3kqx n THR 536 Ca -0.02 0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3kqx n THR 536 Cb 0.15 -0.55 0.27 0.00 -2.10 0.00 0.00 70.33 68.10 3kqx n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqx n LEU 537 N -1.43 2.62 -4.65 3.22 4.77 0.00 -4.33 117.00 117.21 3kqx n LEU 537 Ca 0.09 -1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 54.46 3kqx n LEU 537 Cb 0.29 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3kqx n LEU 537 CO 0.24 0.59 1.32 0.20 -1.33 0.00 0.00 177.39 178.41 3kqx s ASN 538 N -1.36 6.59 0.13 -1.43 0.01 -0.86 -0.65 114.94 117.37 3kqx s ASN 538 Ca 0.35 1.86 -0.14 0.00 -0.71 0.00 0.00 52.86 54.22 3kqx s ASN 538 Cb 0.19 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.25 3kqx s ASN 538 CO 0.27 -1.04 0.53 -0.55 -1.51 0.00 0.00 177.10 174.79 3kqx s SER 539 N 3.48 6.80 0.23 -1.22 0.15 -1.26 -4.74 113.70 117.14 3kqx s SER 539 Ca 0.69 1.04 -0.00 0.00 0.70 0.00 0.00 55.95 58.37 3kqx s SER 539 Cb -0.27 -2.27 0.25 0.00 -1.71 0.00 0.00 66.02 62.01 3kqx s SER 539 CO 0.27 0.12 1.61 0.50 1.20 0.00 0.00 173.24 176.93 3kqx h LYS 540 N 3.62 0.51 0.00 5.44 1.63 -1.97 -3.39 116.57 122.41 3kqx h LYS 540 Ca -0.49 -0.26 -0.24 0.00 -0.85 0.00 0.00 60.65 58.81 3kqx h LYS 540 Cb 1.19 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 3kqx h LYS 540 CO 0.66 0.83 -1.91 0.66 -3.45 0.00 0.00 179.45 176.24 3kqx n TYR 541 N -4.03 0.00 -2.94 1.91 4.01 -1.26 -5.04 117.16 109.81 3kqx n TYR 541 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 3kqx n TYR 541 Cb 0.51 -0.62 0.03 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.32 4.44 0.36 -0.72 0.00 -1.26 -5.01 121.76 117.24 3kqx s ALA 542 Ca -0.21 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.05 3kqx s ALA 542 Cb 0.06 -1.67 0.66 0.00 0.00 0.00 0.00 23.12 22.17 3kqx s ALA 542 CO 0.37 -0.53 1.98 -0.44 0.00 0.00 0.00 175.76 177.14 3kqx h ASP 543 N 0.40 0.62 -4.62 0.00 3.32 -1.78 -3.38 116.42 110.99 3kqx h ASP 543 Ca -0.38 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3kqx h ASP 543 Cb 1.28 -0.16 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 3kqx h ASP 543 CO 0.45 0.51 -0.04 -0.51 -1.72 0.00 0.00 179.24 177.93 3kqx s ILE 544 N -5.46 0.02 0.27 0.35 2.07 -0.84 -4.50 121.20 113.11 3kqx s ILE 544 Ca -0.09 -0.14 -0.21 0.00 -1.41 0.00 0.00 60.65 58.80 3kqx s ILE 544 Cb 0.17 -0.80 -0.09 0.00 0.13 0.00 0.00 42.46 41.87 3kqx s ILE 544 CO 0.76 -0.08 0.80 0.20 -1.91 0.00 0.00 174.94 174.71 3kqx s ASN 545 N -0.71 7.09 0.21 4.50 0.01 0.17 -0.55 114.94 125.67 3kqx s ASN 545 Ca -0.08 1.53 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 3kqx s ASN 545 Cb -0.03 -2.46 0.19 0.00 0.41 0.00 0.00 41.25 39.36 3kqx s ASN 545 CO 0.05 -0.05 1.56 -0.61 -1.51 0.00 0.00 177.10 176.55 3kqx h GLN 546 N 3.12 0.53 -5.13 -0.60 4.15 -1.49 -3.46 115.11 112.24 3kqx h GLN 546 Ca -0.48 -0.30 -0.34 0.00 0.77 0.00 0.00 58.65 58.31 3kqx h GLN 546 Cb 1.19 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.75 3kqx h GLN 546 CO 0.65 0.89 -0.71 0.96 -1.93 0.00 0.00 178.83 178.68 3kqx s ILE 547 N -4.13 1.23 0.06 2.39 -4.36 -1.26 -4.95 121.20 110.18 3kqx s ILE 547 Ca -0.07 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 57.97 3kqx s ILE 547 Cb 0.12 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 3kqx s ILE 547 CO 0.83 -0.71 0.86 -0.55 0.24 0.00 0.00 174.94 175.61 3kqx s SER 548 N -3.19 7.34 0.00 4.36 0.15 -1.26 -4.77 113.70 116.32 3kqx s SER 548 Ca 0.18 1.60 0.24 0.00 0.70 0.00 0.00 55.95 58.67 3kqx s SER 548 Cb 0.02 -2.52 0.35 0.00 -1.71 0.00 0.00 66.02 62.16 3kqx s SER 548 CO 0.02 -0.05 1.31 -1.54 1.20 0.00 0.00 173.24 174.17 3kqx n SER 549 N 2.94 0.67 -0.08 5.45 3.41 -1.26 -4.59 113.62 120.16 3kqx n SER 549 Ca 0.00 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.03 3kqx n SER 549 Cb 0.50 0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.42 2.69 -4.67 4.04 3.41 -1.26 -5.01 113.62 111.40 3kqx n SER 550 Ca 0.06 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3kqx n SER 550 Cb 0.34 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.30 4.88 -1.16 -3.33 1.01 -1.26 -4.94 120.40 113.31 3kqx s VAL 551 Ca -0.20 1.65 0.28 0.00 0.00 0.00 0.00 61.98 63.70 3kqx s VAL 551 Cb 0.05 -4.14 0.25 0.00 0.00 0.00 0.00 36.38 32.54 3kqx s VAL 551 CO 0.34 0.04 1.80 0.29 0.00 0.00 0.00 175.10 177.57 3kqx n LYS 552 N 5.12 0.17 -2.13 2.72 5.02 -1.26 -4.59 118.16 123.22 3kqx n LYS 552 Ca 0.04 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3kqx n LYS 552 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.38 4.23 -0.30 7.82 0.00 -1.26 -4.80 120.51 124.81 3kqx n ALA 553 Ca 0.09 -3.78 -0.04 0.00 0.00 0.00 0.00 53.44 49.71 3kqx n ALA 553 Cb 0.32 -3.58 0.08 0.00 0.00 0.00 0.00 19.45 16.27 3kqx n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqx h SER 554 N 7.10 0.96 0.00 0.00 0.02 -1.98 -1.75 113.55 117.90 3kqx h SER 554 Ca 0.48 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 3kqx h SER 554 Cb 0.77 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3kqx h SER 554 CO 1.65 0.71 -0.21 0.28 -1.14 0.00 0.00 176.83 178.12 3kqx h SER 555 N 1.13 0.35 -0.11 3.07 0.02 -1.93 0.62 113.55 116.70 3kqx h SER 555 Ca 0.30 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3kqx h SER 555 Cb -0.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3kqx h SER 555 CO -0.06 0.58 -0.26 0.40 -1.14 0.00 0.00 176.83 176.34 3kqx h ILE 556 N 0.33 1.39 -0.78 3.27 2.04 -1.77 -2.84 117.51 119.15 3kqx h ILE 556 Ca 0.06 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 3kqx h ILE 556 Cb 0.56 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3kqx h ILE 556 CO 0.04 0.46 0.46 0.58 0.00 0.00 0.00 178.15 179.68 3kqx h VAL 557 N -0.07 1.22 -0.67 1.67 2.07 -1.12 -1.10 116.25 118.26 3kqx h VAL 557 Ca -0.00 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3kqx h VAL 557 Cb 0.87 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3kqx h VAL 557 CO 0.06 0.24 0.19 0.00 0.02 0.00 0.00 177.57 178.08 3kqx h ALA 558 N 1.24 1.08 -0.76 1.67 0.00 -0.95 -1.36 119.26 120.19 3kqx h ALA 558 Ca 0.28 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kqx h ALA 558 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3kqx h ALA 558 CO -0.05 0.62 0.28 0.77 0.00 0.00 0.00 179.25 180.87 3kqx h SER 559 N 0.99 1.06 -0.99 0.00 0.02 -1.19 -1.41 113.55 112.03 3kqx h SER 559 Ca 0.22 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3kqx h SER 559 Cb 0.31 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 3kqx h SER 559 CO -0.00 0.96 0.65 -0.07 -1.14 0.00 0.00 176.83 177.23 3kqx h LEU 560 N 1.10 1.11 0.22 5.07 4.07 -0.84 -0.92 115.31 125.13 3kqx h LEU 560 Ca 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 3kqx h LEU 560 Cb 0.25 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.72 3kqx h LEU 560 CO -0.02 0.79 -0.11 0.15 -1.08 0.00 0.00 178.44 178.18 3kqx h PHE 561 N 1.30 -0.28 -0.92 1.13 3.04 -0.91 -3.13 116.94 117.18 3kqx h PHE 561 Ca 0.37 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.35 3kqx h PHE 561 Cb -0.10 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 3kqx h PHE 561 CO -0.00 -0.02 0.61 -0.07 -2.02 0.00 0.00 178.31 176.80 3kqx h LEU 562 N -0.50 1.00 -1.81 0.59 3.38 -1.15 -2.30 115.31 114.51 3kqx h LEU 562 Ca -0.03 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3kqx h LEU 562 Cb 0.38 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3kqx h LEU 562 CO 0.05 0.68 0.38 0.50 0.09 0.00 0.00 178.44 180.14 3kqx h LYS 563 N 1.15 0.20 0.00 1.13 3.64 -1.12 0.31 116.57 121.89 3kqx h LYS 563 Ca 0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3kqx h LYS 563 Cb 0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kqx h LYS 563 CO -0.11 0.13 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 3kqx n GLU 564 N -4.44 0.14 -0.32 1.90 -0.58 -0.87 -2.58 120.64 113.90 3kqx n GLU 564 Ca 0.10 0.60 0.08 0.00 -0.42 0.00 0.00 57.16 57.52 3kqx n GLU 564 Cb 0.48 -1.93 0.24 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.23 0.80 -4.04 -0.32 3.01 0.10 -4.83 117.46 109.95 3kqx n PHE 565 Ca -0.01 -0.55 -0.31 0.00 1.01 0.00 0.00 57.45 57.59 3kqx n PHE 565 Cb 0.06 -0.08 -0.16 0.00 -0.01 0.00 0.00 39.48 39.30 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 -1.29 1.81 -0.15 -4.37 1.01 -1.07 -3.89 120.40 112.46 3kqx s VAL 566 Ca 0.36 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3kqx s VAL 566 Cb 0.21 -1.79 -0.24 0.00 0.00 0.00 0.00 36.38 34.56 3kqx s VAL 566 CO 0.21 0.29 0.30 0.00 0.00 0.00 0.00 175.10 175.90 3kqx n GLN 567 N 4.65 0.71 -0.48 2.72 3.00 -1.26 -4.80 117.38 121.91 3kqx n GLN 567 Ca -0.17 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3kqx n GLN 567 Cb 0.47 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.00 3kqx n GLN 567 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3kqx n ASN 568 N -3.73 0.00 -4.06 1.08 3.02 -1.26 -5.09 115.26 105.21 3kqx n ASN 568 Ca -0.33 -1.83 -0.21 0.00 -0.03 0.00 0.00 54.58 52.18 3kqx n ASN 568 Cb 0.95 -0.17 -0.15 0.00 -0.61 0.00 0.00 39.78 39.81 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqx s THR 569 N 0.00 0.91 0.22 3.41 2.01 -1.26 -5.10 115.64 115.82 3kqx s THR 569 Ca 0.00 -0.49 -0.32 0.00 0.31 0.00 0.00 61.69 61.19 3kqx s THR 569 Cb 0.00 -0.77 -0.13 0.00 0.01 0.00 0.00 72.50 71.62 3kqx s THR 569 CO 0.00 0.26 1.57 0.00 -0.69 0.00 0.00 174.62 175.76 3kqx n ALA 570 N 2.85 1.89 -3.50 7.40 0.00 -1.26 -4.90 120.51 122.99 3kqx n ALA 570 Ca -0.14 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 3kqx n ALA 570 Cb 0.56 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.48 3kqx n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqx s TRP 571 N 0.55 -0.27 0.12 0.00 -0.00 -1.26 -1.57 118.94 116.51 3kqx s TRP 571 Ca 0.72 0.67 0.05 0.00 -0.00 0.00 0.00 56.10 57.54 3kqx s TRP 571 Cb -0.59 0.04 -0.04 0.00 -0.00 0.00 0.00 33.47 32.88 3kqx s TRP 571 CO 0.42 -0.18 -0.13 0.00 -0.00 0.00 0.00 176.95 177.06 3kqx s ALA 572 N 0.83 1.40 -0.07 5.86 0.00 -0.44 -1.48 121.76 127.86 3kqx s ALA 572 Ca -0.06 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 3kqx s ALA 572 Cb -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3kqx s ALA 572 CO -0.05 0.06 -0.01 -1.58 0.00 0.00 0.00 175.76 174.18 3kqx s HIS 573 N -2.27 0.71 -0.33 0.00 2.46 0.46 -0.73 115.29 115.60 3kqx s HIS 573 Ca 0.08 -0.20 -0.10 0.00 0.47 0.00 0.00 55.06 55.31 3kqx s HIS 573 Cb -0.04 -0.79 -0.00 0.00 -0.13 0.00 0.00 32.58 31.62 3kqx s HIS 573 CO 0.02 -0.31 0.17 0.42 -2.47 0.00 0.00 174.74 172.57 3kqx s ILE 574 N 1.76 4.67 -0.40 0.89 1.01 0.54 -0.92 121.20 128.73 3kqx s ILE 574 Ca 0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 3kqx s ILE 574 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.94 3kqx s ILE 574 CO -0.04 0.00 0.37 -0.62 0.00 0.00 0.00 174.94 174.65 3kqx s ASP 575 N 1.61 6.16 -0.14 3.58 -1.08 -0.37 -1.37 116.67 125.06 3kqx s ASP 575 Ca 0.04 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 3kqx s ASP 575 Cb -0.17 -2.20 0.54 0.00 -1.46 0.00 0.00 42.92 39.63 3kqx s ASP 575 CO 0.07 -0.49 1.45 2.30 0.52 0.00 0.00 175.17 179.02 3kqx n ILE 576 N 5.31 2.05 -0.33 4.11 -5.35 0.62 -2.99 119.36 122.77 3kqx n ILE 576 Ca -0.09 -1.58 0.15 0.00 -0.27 0.00 0.00 62.75 60.97 3kqx n ILE 576 Cb 0.48 -0.07 0.35 0.00 -1.74 0.00 0.00 39.64 38.66 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 2.37 1.66 0.03 -1.28 0.00 -1.84 -1.23 119.26 118.97 3kqx h ALA 577 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 3kqx h ALA 577 Cb 1.37 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3kqx h ALA 577 CO 0.21 -0.26 -0.98 0.78 0.00 0.00 0.00 179.25 179.00 3kqx h GLY 578 N 0.55 0.23 0.00 0.00 0.00 -1.82 -3.39 103.07 98.64 3kqx h GLY 578 Ca 0.61 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3kqx h GLY 578 CO -0.48 0.41 -1.50 3.33 0.00 0.00 0.00 176.54 178.30 3kqx n VAL 579 N -3.60 0.00 -0.13 4.60 0.24 -0.83 -4.38 118.33 114.23 3kqx n VAL 579 Ca -0.04 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 3kqx n VAL 579 Cb 0.88 0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.00 0.56 -3.20 -1.34 0.87 -1.45 -3.43 113.55 105.56 3kqx h SER 580 Ca 0.00 -0.18 -0.61 0.00 -1.23 0.00 0.00 61.79 59.77 3kqx h SER 580 Cb 0.75 -0.14 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 3kqx h SER 580 CO 0.00 0.59 -0.51 0.86 -0.53 0.00 0.00 176.83 177.24 3kqx s TRP 581 N -5.50 3.39 -0.67 2.24 -0.11 -1.26 -1.02 118.94 116.01 3kqx s TRP 581 Ca -0.13 0.29 -0.24 0.00 1.22 0.00 0.00 56.10 57.25 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 0.75 0.32 1.03 1.21 -4.62 0.00 0.00 176.95 175.64 3kqx s ASN 582 N 0.18 6.18 0.26 5.86 3.84 0.15 -4.87 114.94 126.54 3kqx s ASN 582 Ca 0.08 -0.84 -0.04 0.00 0.21 0.00 0.00 52.86 52.26 3kqx s ASN 582 Cb -0.11 -2.45 0.33 0.00 -0.55 0.00 0.00 41.25 38.47 3kqx s ASN 582 CO -0.01 -1.51 1.88 -0.26 -2.79 0.00 0.00 177.10 174.42 3kqx h PHE 583 N 9.65 1.09 -0.38 0.43 -1.00 -1.97 0.16 116.94 124.91 3kqx h PHE 583 Ca -0.28 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 3kqx h PHE 583 Cb 1.07 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 3kqx h PHE 583 CO 1.00 0.76 -0.27 0.87 -1.61 0.00 0.00 178.31 179.06 3kqx h LYS 584 N 1.11 0.86 -0.01 1.51 1.57 -1.95 -3.17 116.57 116.49 3kqx h LYS 584 Ca 0.28 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kqx h LYS 584 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kqx h LYS 584 CO -0.04 1.06 -0.49 0.00 -0.57 0.00 0.00 179.45 179.40 3kqx n ALA 585 N -2.51 3.60 -3.13 3.86 0.00 -1.12 -4.97 120.51 116.24 3kqx n ALA 585 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 3kqx n ALA 585 Cb 0.48 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.70 -4.94 -3.67 0.00 1.74 0.52 -5.01 116.66 104.59 3kqx n ARG 586 Ca 0.09 0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 57.61 3kqx n ARG 586 Cb 0.38 -4.69 -0.03 0.00 -1.02 0.00 0.00 32.46 27.10 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 -5.58 1.41 0.69 5.56 -2.85 -1.08 -5.02 119.74 112.86 3kqx s LYS 587 Ca 0.27 -0.78 -0.12 0.00 -1.00 0.00 0.00 55.97 54.35 3kqx s LYS 587 Cb -0.12 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3kqx s LYS 587 CO 0.47 -0.61 1.07 -2.14 0.10 0.00 0.00 175.35 174.24 3kqx s PRO 588 N -3.85 2.86 0.16 1.78 0.02 -1.26 0.31 135.00 135.02 3kqx s PRO 588 Ca 0.07 1.06 0.23 0.00 0.02 0.00 0.00 61.00 62.38 3kqx s PRO 588 Cb -0.02 -1.98 0.21 0.00 0.02 0.00 0.00 34.50 32.73 3kqx s PRO 588 CO -0.04 -1.17 1.22 0.87 -0.33 0.00 0.00 177.00 177.55 3kqx h LYS 589 N -0.58 0.00 -4.07 5.54 1.57 -1.36 -3.42 116.57 114.24 3kqx h LYS 589 Ca -0.44 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.93 3kqx h LYS 589 Cb 1.22 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.57 3kqx h LYS 589 CO 0.56 0.00 -0.58 0.41 -0.57 0.00 0.00 179.45 179.26 3kqx n GLY 590 N 1.27 -0.49 3.73 3.86 0.00 -1.26 -4.92 105.19 107.38 3kqx n GLY 590 Ca 0.02 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.14 3.01 0.00 1.61 5.36 -1.26 -3.41 117.98 120.14 3kqx s PHE 591 Ca 0.23 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 3kqx s PHE 591 Cb -0.10 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 3kqx s PHE 591 CO 0.29 -3.08 0.00 0.41 -1.46 0.00 0.00 175.22 171.38 3kqx n GLY 592 N 2.84 2.87 0.16 13.12 0.00 -1.26 -4.73 105.19 118.20 3kqx n GLY 592 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.64 -0.15 1.61 2.07 -1.75 -0.24 116.25 118.42 3kqx h VAL 593 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 3kqx h VAL 593 Cb 0.00 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3kqx h VAL 593 CO 0.00 0.00 -0.73 0.03 0.02 0.00 0.00 177.57 176.89 3kqx h ARG 594 N -0.07 0.77 -0.17 1.57 3.08 -1.90 -1.74 114.38 115.92 3kqx h ARG 594 Ca 0.13 -0.62 0.05 0.00 0.07 0.00 0.00 59.98 59.61 3kqx h ARG 594 Cb 0.27 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3kqx h ARG 594 CO -0.30 1.23 -0.17 1.25 -1.07 0.00 0.00 179.97 180.91 3kqx h LEU 595 N 0.49 -0.54 -0.48 3.04 5.85 -1.83 -0.16 115.31 121.69 3kqx h LEU 595 Ca -0.05 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3kqx h LEU 595 Cb 1.36 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.62 3kqx h LEU 595 CO 0.15 -0.22 0.26 -0.07 -0.34 0.00 0.00 178.44 178.23 3kqx h LEU 596 N -0.20 0.40 -0.61 2.25 3.38 -1.01 -1.58 115.31 117.95 3kqx h LEU 596 Ca 0.11 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3kqx h LEU 596 Cb 0.36 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kqx h LEU 596 CO -0.28 0.29 0.18 0.74 0.09 0.00 0.00 178.44 179.45 3kqx h THR 597 N 0.52 1.25 -0.37 0.22 2.02 -1.15 -0.36 112.91 115.03 3kqx h THR 597 Ca 0.20 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3kqx h THR 597 Cb 0.06 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3kqx h THR 597 CO -0.11 0.32 0.01 -0.33 0.37 0.00 0.00 175.52 175.78 3kqx h GLU 598 N 0.87 0.57 0.23 6.66 4.39 -0.84 -0.90 114.58 125.56 3kqx h GLU 598 Ca 0.19 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kqx h GLU 598 Cb 0.31 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3kqx h GLU 598 CO -0.00 0.59 -0.19 0.35 -1.16 0.00 0.00 179.01 178.59 3kqx h PHE 599 N 0.55 -0.50 -0.22 4.33 3.57 -0.77 0.18 116.94 124.08 3kqx h PHE 599 Ca 0.12 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3kqx h PHE 599 Cb 0.34 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3kqx h PHE 599 CO 0.01 -0.29 0.10 0.28 -2.23 0.00 0.00 178.31 176.18 3kqx h VAL 600 N -0.44 0.98 -0.24 1.41 2.07 -0.79 -2.60 116.25 116.64 3kqx h VAL 600 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3kqx h VAL 600 Cb 0.39 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3kqx h VAL 600 CO -0.02 0.04 0.06 -0.07 0.02 0.00 0.00 177.57 177.60 3kqx h LEU 601 N 0.22 0.36 -1.19 2.57 4.07 -1.11 -2.99 115.31 117.24 3kqx h LEU 601 Ca 0.09 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.85 3kqx h LEU 601 Cb 0.03 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 3kqx h LEU 601 CO -0.07 0.49 0.55 0.78 -1.08 0.00 0.00 178.44 179.11 3kqx h ASN 602 N 0.22 0.93 0.00 -0.43 2.35 -0.97 -3.51 115.58 114.16 3kqx h ASN 602 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kqx h ASN 602 Cb 0.27 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3kqx h ASN 602 CO 0.00 0.66 0.00 0.47 -1.65 0.00 0.00 177.43 176.91