#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqx s GLU 87 N 0.00 4.27 -0.25 1.43 0.41 -1.26 -4.93 118.70 118.37 3kqx s GLU 87 Ca 0.00 2.12 -0.29 0.00 -0.41 0.00 0.00 54.97 56.39 3kqx s GLU 87 Cb 0.00 -3.43 0.01 0.00 -1.78 0.00 0.00 34.13 28.93 3kqx s GLU 87 CO 0.00 -0.57 1.10 0.08 -0.49 0.00 0.00 175.26 175.39 3kqx s VAL 88 N 1.90 4.53 0.45 2.63 1.01 -1.26 -5.02 120.40 124.65 3kqx s VAL 88 Ca 0.67 1.82 -0.24 0.00 0.00 0.00 0.00 61.98 64.23 3kqx s VAL 88 Cb -0.36 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 3kqx s VAL 88 CO 0.29 -0.28 1.21 -2.16 0.00 0.00 0.00 175.10 174.16 3kqx s PRO 89 N 3.45 3.75 0.08 2.72 0.04 -1.26 -4.96 135.00 138.81 3kqx s PRO 89 Ca 0.47 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.50 3kqx s PRO 89 Cb -0.15 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3kqx s PRO 89 CO 0.11 -0.59 -0.23 -0.65 0.04 0.00 0.00 177.00 175.68 3kqx s GLN 90 N -2.59 1.76 -0.01 4.56 -0.21 -1.26 -5.04 119.66 116.87 3kqx s GLN 90 Ca 0.63 -1.15 -0.20 0.00 0.02 0.00 0.00 55.36 54.66 3kqx s GLN 90 Cb -0.32 -2.03 -0.31 0.00 1.00 0.00 0.00 33.01 31.35 3kqx s GLN 90 CO 0.39 0.50 0.98 0.28 -2.12 0.00 0.00 175.29 175.31 3kqx h VAL 91 N 3.95 1.43 -3.66 1.09 2.07 -1.96 -3.48 116.25 115.69 3kqx h VAL 91 Ca -0.49 -2.48 -0.30 0.00 0.82 0.00 0.00 66.70 64.25 3kqx h VAL 91 Cb 1.16 3.01 -0.15 0.00 -1.52 0.00 0.00 31.29 33.79 3kqx h VAL 91 CO 0.44 0.72 -0.67 0.68 0.02 0.00 0.00 177.57 178.76 3kqx s VAL 92 N -2.66 0.79 -0.89 2.57 -7.23 -1.26 -5.02 120.40 106.69 3kqx s VAL 92 Ca -0.12 -1.99 0.18 0.00 -1.81 0.00 0.00 61.98 58.24 3kqx s VAL 92 Cb 0.02 -2.10 0.17 0.00 0.56 0.00 0.00 36.38 35.03 3kqx s VAL 92 CO 0.86 -0.51 1.58 -1.54 -0.31 0.00 0.00 175.10 175.19 3kqx n SER 93 N -0.25 0.15 -0.08 4.85 3.41 -1.26 -1.08 113.62 119.37 3kqx n SER 93 Ca -0.07 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 3kqx n SER 93 Cb 0.63 -0.57 0.56 0.00 -0.26 0.00 0.00 64.21 64.58 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 -1.66 0.38 -4.71 1.04 4.77 -1.26 -4.86 117.00 110.70 3kqx n LEU 94 Ca 0.04 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3kqx n LEU 94 Cb 0.21 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3kqx n LEU 94 CO 0.17 0.08 1.08 -1.81 -1.33 0.00 0.00 177.39 175.57 3kqx s ASP 95 N -2.64 6.84 0.55 -1.43 1.01 -0.24 -4.97 116.67 115.78 3kqx s ASP 95 Ca 0.24 2.25 -0.21 0.00 0.71 0.00 0.00 52.55 55.53 3kqx s ASP 95 Cb 0.19 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 3kqx s ASP 95 CO 0.52 -0.67 1.30 -2.84 0.21 0.00 0.00 175.17 173.69 3kqx s PRO 96 N 1.56 3.16 0.00 8.23 0.02 -1.26 -4.95 135.00 141.75 3kqx s PRO 96 Ca 0.64 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.81 3kqx s PRO 96 Cb -0.35 -2.20 0.12 0.00 0.02 0.00 0.00 34.50 32.09 3kqx s PRO 96 CO 0.29 -1.13 0.98 0.25 -0.33 0.00 0.00 177.00 177.06 3kqx n THR 97 N -1.11 0.67 -3.74 0.99 -2.24 -1.26 -4.84 114.28 102.76 3kqx n THR 97 Ca 0.11 -0.84 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 3kqx n THR 97 Cb 0.46 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.82 -0.17 -0.19 3.42 1.04 -1.26 -4.70 113.70 111.01 3kqx s SER 98 Ca 0.10 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.84 3kqx s SER 98 Cb 0.05 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3kqx s SER 98 CO 0.07 -0.92 0.58 -0.63 0.98 0.00 0.00 173.24 173.33 3kqx s ILE 99 N -3.86 5.06 0.36 -1.02 1.01 -1.26 -4.87 121.20 116.62 3kqx s ILE 99 Ca 0.08 1.09 -0.26 0.00 0.00 0.00 0.00 60.65 61.55 3kqx s ILE 99 Cb 0.01 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 3kqx s ILE 99 CO -0.07 0.15 1.10 -2.16 0.00 0.00 0.00 174.94 173.96 3kqx s PRO 100 N 1.71 4.31 -0.03 2.79 0.04 -1.26 -5.02 135.00 137.55 3kqx s PRO 100 Ca 0.27 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 3kqx s PRO 100 Cb -0.16 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.60 3kqx s PRO 100 CO 0.10 -0.06 0.03 0.42 0.04 0.00 0.00 177.00 177.53 3kqx s ILE 101 N -1.41 0.04 -0.15 0.56 -1.09 -1.26 -4.99 121.20 112.90 3kqx s ILE 101 Ca 0.53 0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 59.03 3kqx s ILE 101 Cb -0.28 -0.20 -0.05 0.00 -1.58 0.00 0.00 42.46 40.36 3kqx s ILE 101 CO 0.35 0.15 0.30 -1.61 -1.23 0.00 0.00 174.94 172.90 3kqx s GLU 102 N 1.43 4.21 -0.19 2.79 2.02 -1.26 -4.97 118.70 122.73 3kqx s GLU 102 Ca -0.04 0.12 -0.10 0.00 0.02 0.00 0.00 54.97 54.97 3kqx s GLU 102 Cb -0.13 -3.40 -0.08 0.00 0.10 0.00 0.00 34.13 30.61 3kqx s GLU 102 CO -0.03 0.28 -0.25 0.66 0.02 0.00 0.00 175.26 175.95 3kqx n TYR 103 N 3.41 0.00 -2.93 1.61 4.02 -1.26 -4.88 117.16 117.14 3kqx n TYR 103 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 3kqx n TYR 103 Cb 0.52 -0.69 -0.05 0.00 -0.02 0.00 0.00 39.34 39.11 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 -6.72 6.31 0.33 7.72 0.02 -1.26 -5.03 114.94 116.30 3kqx s ASN 104 Ca -0.27 -0.51 0.08 0.00 -1.02 0.00 0.00 52.86 51.14 3kqx s ASN 104 Cb 0.10 -2.39 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 3kqx s ASN 104 CO 0.34 -1.13 0.24 0.42 0.02 0.00 0.00 177.10 176.99 3kqx s THR 105 N 3.57 3.51 0.49 1.60 -4.23 -1.26 -5.00 115.64 114.33 3kqx s THR 105 Ca 0.26 -1.46 0.31 0.00 -1.18 0.00 0.00 61.69 59.62 3kqx s THR 105 Cb -0.14 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 70.89 3kqx s THR 105 CO 0.17 -0.20 2.18 -0.65 -0.54 0.00 0.00 174.62 175.58 3kqx h PRO 106 N 1.36 0.00 -0.42 3.99 0.11 -2.00 -0.81 132.00 134.22 3kqx h PRO 106 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 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 0.60 0.06 0.28 0.82 -0.21 0.00 0.00 178.00 179.54 3kqx h ILE 107 N 0.00 1.10 0.00 4.15 1.08 -1.94 -2.16 117.51 119.73 3kqx h ILE 107 Ca -0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3kqx h ILE 107 Cb 0.18 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 3kqx h ILE 107 CO 0.01 0.10 0.00 0.45 -0.69 0.00 0.00 178.15 178.02 3kqx h HIS 108 N 0.56 0.00 -0.01 1.37 3.86 -1.53 -2.43 115.15 116.96 3kqx h HIS 108 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3kqx h HIS 108 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3kqx h HIS 108 CO -0.00 0.00 -0.14 -0.25 0.86 0.00 0.00 177.93 178.40 3kqx n ASP 109 N -2.93 1.14 -4.65 2.45 8.00 -0.81 -4.88 116.55 114.86 3kqx n ASP 109 Ca 0.00 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 53.98 3kqx n ASP 109 Cb 0.26 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.30 4.37 -0.16 0.53 1.01 -0.92 -4.85 121.20 118.90 3kqx s ILE 110 Ca 0.30 1.64 -0.26 0.00 0.00 0.00 0.00 60.65 62.34 3kqx s ILE 110 Cb 0.20 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3kqx s ILE 110 CO 0.44 -0.22 0.86 -0.75 0.00 0.00 0.00 174.94 175.27 3kqx s LYS 111 N 3.53 4.32 -0.19 2.79 2.36 -0.37 -4.91 119.74 127.28 3kqx s LYS 111 Ca 0.52 1.07 -0.05 0.00 -2.55 0.00 0.00 55.97 54.97 3kqx s LYS 111 Cb -0.19 -3.57 -0.02 0.00 -1.05 0.00 0.00 37.83 33.01 3kqx s LYS 111 CO 0.14 -0.32 -0.02 0.08 1.55 0.00 0.00 175.35 176.79 3kqx s VAL 112 N 2.09 3.84 -0.04 4.02 1.01 -1.26 -0.88 120.40 129.19 3kqx s VAL 112 Ca 0.40 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3kqx s VAL 112 Cb -0.17 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3kqx s VAL 112 CO 0.13 0.44 -0.23 -1.10 0.00 0.00 0.00 175.10 174.34 3kqx s GLN 113 N 0.93 2.15 -0.16 2.72 1.11 -0.13 -4.98 119.66 121.30 3kqx s GLN 113 Ca 0.01 -0.83 -0.03 0.00 0.01 0.00 0.00 55.36 54.52 3kqx s GLN 113 Cb -0.14 -1.93 -0.02 0.00 -1.01 0.00 0.00 33.01 29.91 3kqx s GLN 113 CO 0.02 0.41 -0.06 0.08 0.01 0.00 0.00 175.29 175.75 3kqx s VAL 114 N -0.29 3.65 0.12 1.09 1.01 -1.26 -0.76 120.40 123.95 3kqx s VAL 114 Ca 0.02 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3kqx s VAL 114 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3kqx s VAL 114 CO 0.01 0.49 -0.23 -0.31 0.00 0.00 0.00 175.10 175.07 3kqx s TYR 115 N 0.46 1.99 0.32 5.22 1.51 0.37 -4.95 117.35 122.27 3kqx s TYR 115 Ca -0.05 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 3kqx s TYR 115 Cb -0.15 -1.08 -0.09 0.00 -0.11 0.00 0.00 41.96 40.53 3kqx s TYR 115 CO 0.03 0.27 1.09 0.34 -1.11 0.00 0.00 175.55 176.17 3kqx s ASP 116 N -2.02 7.10 0.38 2.29 -1.08 -1.26 -1.92 116.67 120.16 3kqx s ASP 116 Ca 0.10 2.21 0.08 0.00 -0.52 0.00 0.00 52.55 54.41 3kqx s ASP 116 Cb -0.10 -2.62 0.74 0.00 -1.46 0.00 0.00 42.92 39.49 3kqx s ASP 116 CO 0.05 -0.26 1.93 0.40 0.52 0.00 0.00 175.17 177.81 3kqx h ILE 117 N 2.82 1.17 -2.93 4.11 2.04 -1.84 -3.44 117.51 119.44 3kqx h ILE 117 Ca -0.47 -0.68 -0.52 0.00 1.00 0.00 0.00 64.86 64.18 3kqx h ILE 117 Cb 1.21 1.02 0.06 0.00 -0.74 0.00 0.00 36.82 38.38 3kqx h ILE 117 CO 0.65 0.23 0.94 -0.54 0.00 0.00 0.00 178.15 179.43 3kqx s LYS 118 N -4.92 4.15 0.00 2.37 1.02 -1.26 -0.83 119.74 120.26 3kqx s LYS 118 Ca -0.07 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.47 3kqx s LYS 118 Cb 0.16 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3kqx s LYS 118 CO 0.74 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 3kqx n GLY 119 N 3.29 3.21 0.00 -3.33 0.00 -1.26 -5.00 105.19 102.09 3kqx n GLY 119 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kqx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 120 N -1.51 0.99 3.84 -0.02 0.00 -0.01 -4.95 105.19 103.52 3kqx n GLY 120 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.84 6.82 -0.44 0.00 0.01 -1.26 -0.57 114.94 118.66 3kqx s ASN 122 Ca 0.19 0.98 0.03 0.00 -0.71 0.00 0.00 52.86 53.34 3kqx s ASN 122 Cb -0.14 -2.25 0.13 0.00 0.41 0.00 0.00 41.25 39.39 3kqx s ASN 122 CO 0.08 0.32 0.21 -0.69 -1.51 0.00 0.00 177.10 175.51 3kqx s VAL 123 N -1.10 1.81 -0.05 1.60 1.01 -1.26 -4.93 120.40 117.49 3kqx s VAL 123 Ca 0.24 -2.65 0.04 0.00 0.00 0.00 0.00 61.98 59.62 3kqx s VAL 123 Cb -0.17 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 3kqx s VAL 123 CO 0.14 -0.81 0.01 -0.62 0.00 0.00 0.00 175.10 173.82 3kqx n GLU 124 N 3.63 2.93 -3.87 2.72 -0.58 -1.26 -4.89 120.64 119.31 3kqx n GLU 124 Ca 0.06 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.72 3kqx n GLU 124 Cb 0.35 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3kqx s GLU 125 N -2.12 1.79 5.73 3.49 1.03 -1.26 -4.90 118.70 122.46 3kqx s GLU 125 Ca -0.03 -1.05 0.00 0.00 0.03 0.00 0.00 54.97 53.92 3kqx s GLU 125 Cb 0.02 0.59 0.00 0.00 -0.80 0.00 0.00 34.13 33.94 3kqx s GLU 125 CO 0.21 -0.81 0.00 0.41 -1.33 0.00 0.00 175.26 173.73 3kqx n GLY 126 N -0.46 2.70 3.32 -3.83 0.00 -1.26 -4.66 105.19 101.00 3kqx n GLY 126 Ca -0.04 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 2.51 -0.17 0.99 2.96 -0.52 -0.62 118.68 123.83 3kqx s LEU 127 Ca 0.00 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3kqx s LEU 127 Cb 0.00 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3kqx s LEU 127 CO 0.00 0.16 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.15 3kqx s THR 128 N 0.34 2.60 -0.17 3.68 2.01 0.03 -0.52 115.64 123.61 3kqx s THR 128 Ca -0.14 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3kqx s THR 128 Cb -0.17 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.25 3kqx s THR 128 CO 0.07 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.67 3kqx s ILE 129 N 0.98 2.05 -0.13 1.82 -1.09 0.03 -0.86 121.20 124.00 3kqx s ILE 129 Ca -0.02 -0.94 -0.20 0.00 -2.23 0.00 0.00 60.65 57.26 3kqx s ILE 129 Cb -0.15 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3kqx s ILE 129 CO -0.03 0.54 0.57 -0.36 -1.23 0.00 0.00 174.94 174.43 3kqx s PHE 130 N 1.16 3.49 -0.36 3.97 0.40 -0.20 -0.41 117.98 126.03 3kqx s PHE 130 Ca 0.02 0.98 -0.22 0.00 -0.60 0.00 0.00 56.93 57.10 3kqx s PHE 130 Cb -0.14 -2.68 0.01 0.00 0.51 0.00 0.00 43.02 40.72 3kqx s PHE 130 CO -0.10 0.05 0.72 -0.51 0.70 0.00 0.00 175.22 176.09 3kqx s LEU 131 N 1.04 4.18 -0.02 -0.37 1.43 -0.00 -1.67 118.68 123.27 3kqx s LEU 131 Ca 0.29 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3kqx s LEU 131 Cb -0.16 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.14 3kqx s LEU 131 CO 0.12 -0.67 -0.04 -0.69 0.23 0.00 0.00 176.35 175.30 3kqx s VAL 132 N 2.94 0.42 0.52 -1.59 1.01 -1.08 -1.29 120.40 121.32 3kqx s VAL 132 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3kqx s VAL 132 Cb -0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3kqx s VAL 132 CO 0.16 0.15 0.01 0.54 0.00 0.00 0.00 175.10 175.96 3kqx s ASN 133 N 0.31 4.10 -0.33 3.32 2.20 -1.26 0.21 114.94 123.47 3kqx s ASN 133 Ca -0.03 -1.71 0.01 0.00 -0.94 0.00 0.00 52.86 50.19 3kqx s ASN 133 Cb -0.07 0.69 0.14 0.00 -2.00 0.00 0.00 41.25 40.01 3kqx s ASN 133 CO -0.00 -0.93 0.31 0.21 -2.94 0.00 0.00 177.10 173.74 3kqx s ASN 134 N -3.89 1.74 0.00 3.54 3.84 0.03 -4.82 114.94 115.38 3kqx s ASN 134 Ca 0.02 -1.36 -0.02 0.00 0.21 0.00 0.00 52.86 51.71 3kqx s ASN 134 Cb 0.00 0.35 -0.09 0.00 -0.55 0.00 0.00 41.25 40.96 3kqx s ASN 134 CO 0.01 -0.32 2.15 -2.65 -2.79 0.00 0.00 177.10 173.49 3kqx n PRO 135 N 4.65 1.11 0.00 0.43 -0.02 -1.26 -4.32 135.00 135.59 3kqx n PRO 135 Ca 0.06 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 3kqx n PRO 135 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3kqx n PRO 135 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kqx n LYS 137 N 2.08 0.00 -1.69 -0.52 4.01 -1.26 -4.88 118.16 115.89 3kqx n LYS 137 Ca 0.15 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.51 3kqx n LYS 137 Cb 0.53 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.01 3kqx n LYS 137 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kqx n GLU 138 N 0.00 2.54 -2.26 1.97 4.71 -1.26 -0.07 120.64 126.27 3kqx n GLU 138 Ca 0.00 0.92 -0.12 0.00 -0.01 0.00 0.00 57.16 57.95 3kqx n GLU 138 Cb 0.00 -2.75 -0.01 0.00 -1.01 0.00 0.00 31.44 27.66 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 4.40 -3.61 -4.70 1.62 3.02 -1.26 -4.98 115.26 109.76 3kqx n ASN 139 Ca 0.17 0.23 -0.29 0.00 -0.03 0.00 0.00 54.58 54.66 3kqx n ASN 139 Cb 0.33 -3.13 0.16 0.00 -0.61 0.00 0.00 39.78 36.53 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqx s GLY 140 N -2.02 1.58 0.58 7.41 0.00 0.90 -4.53 107.32 111.23 3kqx s GLY 140 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 3kqx s GLY 140 CO 0.00 0.25 1.12 2.56 0.00 0.00 0.00 173.10 177.04 3kqx s PRO 141 N -5.01 3.19 -0.02 2.90 0.04 -1.26 -0.80 135.00 134.05 3kqx s PRO 141 Ca 0.65 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 3kqx s PRO 141 Cb -0.18 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3kqx s PRO 141 CO 0.57 -0.97 1.21 0.08 0.04 0.00 0.00 177.00 177.94 3kqx s VAL 142 N -1.93 4.16 -0.06 -0.36 1.01 -0.57 -4.69 120.40 117.97 3kqx s VAL 142 Ca 0.71 1.52 0.03 0.00 0.00 0.00 0.00 61.98 64.24 3kqx s VAL 142 Cb -0.23 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3kqx s VAL 142 CO 0.31 0.03 -0.14 -0.54 0.00 0.00 0.00 175.10 174.76 3kqx s LYS 143 N 1.90 1.74 -0.29 2.72 3.01 -1.26 -3.49 119.74 124.08 3kqx s LYS 143 Ca 0.57 -0.50 -0.11 0.00 -1.01 0.00 0.00 55.97 54.92 3kqx s LYS 143 Cb -0.26 -1.46 -0.04 0.00 -1.01 0.00 0.00 37.83 35.05 3kqx s LYS 143 CO 0.24 0.12 0.18 0.42 0.51 0.00 0.00 175.35 176.82 3kqx s ILE 144 N 0.37 5.11 -0.14 2.17 -1.09 -1.26 -4.94 121.20 121.43 3kqx s ILE 144 Ca -0.10 0.02 0.19 0.00 -2.23 0.00 0.00 60.65 58.53 3kqx s ILE 144 Cb -0.14 -3.47 -0.14 0.00 -1.58 0.00 0.00 42.46 37.13 3kqx s ILE 144 CO 0.03 0.21 0.76 -1.20 -1.23 0.00 0.00 174.94 173.51 3kqx n SER 145 N 5.04 0.66 -4.73 3.58 7.64 -1.26 -4.93 113.62 119.62 3kqx n SER 145 Ca -0.14 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 3kqx n SER 145 Cb 0.51 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 64.25 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kqx s SER 146 N -5.47 6.81 0.18 6.43 0.01 -1.26 -5.01 113.70 115.40 3kqx s SER 146 Ca -0.04 2.44 -0.33 0.00 1.31 0.00 0.00 55.95 59.33 3kqx s SER 146 Cb 0.09 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.58 3kqx s SER 146 CO 0.82 -0.61 1.46 1.17 0.41 0.00 0.00 173.24 176.48 3kqx n LYS 147 N 3.07 1.93 -4.65 12.44 3.00 -1.26 -4.94 118.16 127.75 3kqx n LYS 147 Ca 0.08 0.69 -0.31 0.00 -0.00 0.00 0.00 58.31 58.77 3kqx n LYS 147 Cb 0.42 -2.38 -0.17 0.00 0.00 0.00 0.00 35.03 32.90 3kqx n LYS 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kqx s VAL 148 N 0.41 1.91 -0.97 3.15 1.01 -1.26 -1.10 120.40 123.55 3kqx s VAL 148 Ca 0.75 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3kqx s VAL 148 Cb -0.71 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 3kqx s VAL 148 CO 0.44 0.52 3.01 0.59 0.00 0.00 0.00 175.10 179.67 3kqx n ASN 149 N 4.07 7.37 -3.52 3.32 3.02 0.26 -4.70 115.26 125.08 3kqx n ASN 149 Ca -0.20 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 3kqx n ASN 149 Cb 0.52 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 3kqx n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqx s ASP 150 N 1.53 -1.15 0.18 6.41 2.15 -1.26 -4.75 116.67 119.78 3kqx s ASP 150 Ca 0.65 1.36 -0.13 0.00 0.43 0.00 0.00 52.55 54.86 3kqx s ASP 150 Cb 0.25 2.22 0.09 0.00 -0.30 0.00 0.00 42.92 45.18 3kqx s ASP 150 CO -0.07 -0.22 1.81 0.11 -0.17 0.00 0.00 175.17 176.62 3kqx h LYS 151 N 7.97 0.83 0.30 4.34 1.57 -1.99 -1.01 116.57 128.58 3kqx h LYS 151 Ca -0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3kqx h LYS 151 Cb 1.11 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3kqx h LYS 151 CO 0.13 0.61 -0.14 1.96 -0.57 0.00 0.00 179.45 181.44 3kqx h GLN 152 N 0.81 -0.39 -0.70 3.15 1.08 -1.91 -2.33 115.11 114.83 3kqx h GLN 152 Ca 0.21 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.40 3kqx h GLN 152 Cb 0.01 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3kqx h GLN 152 CO -0.04 -0.18 0.26 0.28 -0.95 0.00 0.00 178.83 178.20 3kqx h VAL 153 N -0.51 1.24 -0.97 -0.54 2.07 -1.83 -2.54 116.25 113.17 3kqx h VAL 153 Ca -0.04 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3kqx h VAL 153 Cb 0.38 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3kqx h VAL 153 CO 0.07 0.32 0.62 0.28 0.02 0.00 0.00 177.57 178.88 3kqx h SER 154 N 1.02 0.96 -0.11 0.57 0.02 -1.02 -0.41 113.55 114.59 3kqx h SER 154 Ca 0.23 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3kqx h SER 154 Cb 0.23 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3kqx h SER 154 CO -0.02 0.59 0.06 -0.08 -1.14 0.00 0.00 176.83 176.25 3kqx h GLU 155 N 1.08 0.14 -0.77 3.45 4.57 -1.02 -1.27 114.58 120.76 3kqx h GLU 155 Ca 0.43 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.65 3kqx h GLU 155 Cb 0.25 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3kqx h GLU 155 CO -0.18 0.14 0.46 0.35 -1.18 0.00 0.00 179.01 178.60 3kqx h PHE 156 N 0.11 0.86 -0.01 0.92 3.57 -1.04 -2.79 116.94 118.55 3kqx h PHE 156 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3kqx h PHE 156 Cb 0.03 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3kqx h PHE 156 CO -0.06 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.74 3kqx n LEU 157 N -4.68 0.15 -4.65 0.59 4.77 -0.22 -4.48 117.00 108.47 3kqx n LEU 157 Ca 0.10 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 3kqx n LEU 157 Cb 0.16 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kqx n LEU 157 CO 0.31 0.03 0.73 0.29 -1.33 0.00 0.00 177.39 177.41 3kqx n LYS 158 N -0.83 1.67 -0.34 3.23 4.76 -0.53 -4.55 118.16 121.57 3kqx n LYS 158 Ca 0.21 0.59 0.21 0.00 -2.87 0.00 0.00 58.31 56.46 3kqx n LYS 158 Cb 0.12 -2.15 0.46 0.00 -1.84 0.00 0.00 35.03 31.62 3kqx n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqx h ASP 159 N 1.99 0.54 0.53 4.39 3.32 -1.91 -0.67 116.42 124.60 3kqx h ASP 159 Ca -0.45 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3kqx h ASP 159 Cb 1.31 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3kqx h ASP 159 CO 0.60 0.07 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.69 3kqx h GLU 160 N 0.45 0.00 0.10 3.56 3.07 -1.95 -1.79 114.58 118.03 3kqx h GLU 160 Ca 0.64 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 59.15 3kqx h GLU 160 Cb 1.46 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.34 3kqx h GLU 160 CO -0.40 0.16 -1.94 -1.71 -1.40 0.00 0.00 179.01 173.72 3kqx n ASN 161 N -3.56 1.89 0.20 1.42 4.05 -0.32 -4.41 115.26 114.52 3kqx n ASN 161 Ca -0.01 0.25 0.10 0.00 0.45 0.00 0.00 54.58 55.37 3kqx n ASN 161 Cb 0.30 -0.71 0.13 0.00 1.23 0.00 0.00 39.78 40.73 3kqx n ASN 161 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 3kqx h MET 162 N 0.06 0.00 -1.03 1.20 2.86 -1.30 -3.22 114.93 113.50 3kqx h MET 162 Ca -0.40 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.51 3kqx h MET 162 Cb 2.03 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.60 3kqx h MET 162 CO 0.09 0.12 0.66 1.49 1.06 0.00 0.00 176.91 180.33 3kqx h GLU 163 N 0.00 0.41 -0.73 1.72 4.22 -1.36 -0.21 114.58 118.63 3kqx h GLU 163 Ca -0.00 -0.02 0.21 0.00 0.08 0.00 0.00 59.36 59.63 3kqx h GLU 163 Cb 1.09 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3kqx h GLU 163 CO 0.02 0.27 0.77 0.87 -2.18 0.00 0.00 179.01 178.76 3kqx h LYS 164 N 0.42 0.00 -6.27 1.92 1.57 -1.82 -3.43 116.57 108.96 3kqx h LYS 164 Ca 0.60 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.80 3kqx h LYS 164 Cb 1.46 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.68 3kqx h LYS 164 CO -0.31 0.00 -0.62 -0.06 -0.57 0.00 0.00 179.45 177.88 3kqx s PHE 165 N -4.58 2.89 0.12 -1.35 2.99 -0.09 -5.06 117.98 112.91 3kqx s PHE 165 Ca -0.04 -0.14 0.05 0.00 0.00 0.00 0.00 56.93 56.81 3kqx s PHE 165 Cb 0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 43.02 41.78 3kqx s PHE 165 CO 0.55 0.54 -0.13 0.54 -0.00 0.00 0.00 175.22 176.72 3kqx s ASN 166 N -3.25 1.90 0.00 1.36 2.20 -1.26 -1.52 114.94 114.37 3kqx s ASN 166 Ca 0.29 -0.83 0.19 0.00 -0.94 0.00 0.00 52.86 51.57 3kqx s ASN 166 Cb -0.09 -0.05 0.77 0.00 -2.00 0.00 0.00 41.25 39.88 3kqx s ASN 166 CO 0.20 -0.18 1.54 1.33 -2.94 0.00 0.00 177.10 177.06 3kqx n VAL 167 N 0.45 0.18 -1.58 3.54 0.24 0.02 -4.75 118.33 116.44 3kqx n VAL 167 Ca -0.15 -0.26 -0.56 0.00 -2.04 0.00 0.00 64.34 61.33 3kqx n VAL 167 Cb 0.57 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 3kqx n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqx n LYS 168 N 0.05 0.71 -1.66 7.34 4.81 -1.26 0.00 118.16 128.16 3kqx n LYS 168 Ca 0.15 0.26 -0.55 0.00 -0.87 0.00 0.00 58.31 57.30 3kqx n LYS 168 Cb 0.25 -1.85 -0.07 0.00 0.02 0.00 0.00 35.03 33.39 3kqx n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqx n LEU 169 N 2.48 2.15 0.00 3.14 -0.00 -1.26 -0.71 117.00 122.79 3kqx n LEU 169 Ca 0.20 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.30 3kqx n LEU 169 Cb 0.14 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 3kqx n LEU 169 CO 0.65 -0.66 0.00 0.61 -0.00 0.00 0.00 177.39 177.99 3kqx n GLY 170 N 3.52 2.03 3.77 -3.96 0.00 -0.35 -4.96 105.19 105.24 3kqx n GLY 170 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.69 2.84 0.06 2.61 2.01 0.11 -4.76 115.64 115.82 3kqx s THR 171 Ca 0.00 0.66 -0.12 0.00 0.31 0.00 0.00 61.69 62.54 3kqx s THR 171 Cb 0.00 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.18 3kqx s THR 171 CO 0.00 0.02 0.27 -0.94 -0.69 0.00 0.00 174.62 173.28 3kqx s SER 172 N -1.16 -0.06 -0.06 3.53 1.04 -1.26 -0.06 113.70 115.67 3kqx s SER 172 Ca 0.63 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.61 3kqx s SER 172 Cb -0.33 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.17 3kqx s SER 172 CO 0.40 -0.64 0.35 -0.54 0.98 0.00 0.00 173.24 173.79 3kqx s LYS 173 N -2.84 0.61 -0.01 4.02 -0.14 -1.17 -5.02 119.74 115.19 3kqx s LYS 173 Ca -0.03 0.06 -0.13 0.00 -1.36 0.00 0.00 55.97 54.51 3kqx s LYS 173 Cb 0.00 0.28 0.02 0.00 -1.68 0.00 0.00 37.83 36.45 3kqx s LYS 173 CO -0.05 -0.15 0.26 -3.38 -0.76 0.00 0.00 175.35 171.28 3kqx s HIS 174 N -0.82 -0.13 -0.00 3.18 -3.43 -1.26 -1.77 115.29 111.06 3kqx s HIS 174 Ca -0.09 0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.35 3kqx s HIS 174 Cb -0.04 0.06 -0.00 0.00 -1.43 0.00 0.00 32.58 31.17 3kqx s HIS 174 CO 0.03 -0.36 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.33 3kqx s PHE 175 N -1.30 0.22 0.02 0.38 0.40 -0.14 -4.94 117.98 112.62 3kqx s PHE 175 Ca -0.13 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 3kqx s PHE 175 Cb -0.06 -0.15 -0.06 0.00 0.51 0.00 0.00 43.02 43.26 3kqx s PHE 175 CO 0.03 -0.01 0.52 0.71 0.70 0.00 0.00 175.22 177.18 3kqx s TYR 176 N -0.02 3.74 0.18 0.36 1.51 -1.26 -0.85 117.35 121.01 3kqx s TYR 176 Ca 0.01 1.15 -0.18 0.00 -1.01 0.00 0.00 57.07 57.04 3kqx s TYR 176 Cb -0.01 -2.47 0.04 0.00 -0.11 0.00 0.00 41.96 39.40 3kqx s TYR 176 CO -0.00 0.52 0.52 0.00 -1.11 0.00 0.00 175.55 175.48 3kqx s MET 177 N -0.78 1.32 0.05 -0.62 0.23 -0.16 -4.97 119.30 114.38 3kqx s MET 177 Ca 0.28 -0.78 -0.29 0.00 -1.03 0.00 0.00 55.69 53.87 3kqx s MET 177 Cb -0.18 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.60 3kqx s MET 177 CO 0.16 -0.56 0.92 -0.06 -2.03 0.00 0.00 175.02 173.45 3kqx s PHE 178 N -3.84 3.74 0.00 3.16 0.08 -1.26 -0.58 117.98 119.27 3kqx s PHE 178 Ca 0.07 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.80 3kqx s PHE 178 Cb -0.01 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3kqx s PHE 178 CO -0.06 0.14 0.00 0.27 -0.10 0.00 0.00 175.22 175.47 3kqx n ASN 179 N 3.21 0.00 0.31 1.36 6.94 -0.33 -4.71 115.26 122.03 3kqx n ASN 179 Ca 0.02 -0.91 0.18 0.00 -0.02 0.00 0.00 54.58 53.86 3kqx n ASN 179 Cb 0.50 0.00 1.02 0.00 -2.36 0.00 0.00 39.78 38.94 3kqx n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kqx h ASP 180 N 0.00 0.00 -0.27 0.53 3.45 -1.90 -1.36 116.42 116.87 3kqx h ASP 180 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kqx h ASP 180 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kqx h ASP 180 CO 0.00 0.01 0.00 0.59 -1.57 0.00 0.00 179.24 178.27 3kqx n ASN 181 N -3.56 2.53 -0.74 6.45 3.02 -1.26 -4.90 115.26 116.80 3kqx n ASN 181 Ca -0.03 -1.86 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 3kqx n ASN 181 Cb 0.09 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 3kqx n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqx n LYS 182 N 0.89 -1.18 -2.80 3.52 4.76 -0.51 -4.99 118.16 117.85 3kqx n LYS 182 Ca 0.17 0.79 -0.40 0.00 -2.87 0.00 0.00 58.31 56.00 3kqx n LYS 182 Cb 0.46 -4.90 -0.06 0.00 -1.84 0.00 0.00 35.03 28.69 3kqx n LYS 182 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3kqx s ASN 183 N -2.54 7.55 -0.16 4.39 2.47 -1.26 -4.77 114.94 120.62 3kqx s ASN 183 Ca 0.00 1.84 -0.29 0.00 0.42 0.00 0.00 52.86 54.83 3kqx s ASN 183 Cb 0.00 -2.58 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 3kqx s ASN 183 CO 0.00 0.12 1.09 -0.55 -3.72 0.00 0.00 177.10 174.04 3kqx s SER 184 N -0.90 7.11 0.11 -4.21 0.15 -1.26 -1.19 113.70 113.51 3kqx s SER 184 Ca 0.41 1.53 0.06 0.00 0.70 0.00 0.00 55.95 58.65 3kqx s SER 184 Cb -0.25 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 3kqx s SER 184 CO 0.30 -0.61 -0.15 0.68 1.20 0.00 0.00 173.24 174.66 3kqx s VAL 185 N 2.79 1.32 -0.12 4.45 -7.23 0.25 -4.59 120.40 117.29 3kqx s VAL 185 Ca 0.49 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.01 3kqx s VAL 185 Cb -0.18 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 3kqx s VAL 185 CO 0.13 -0.34 -0.02 0.00 -0.31 0.00 0.00 175.10 174.55 3kqx s ALA 186 N -1.87 3.12 -0.00 1.32 0.00 0.21 -0.99 121.76 123.55 3kqx s ALA 186 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3kqx s ALA 186 Cb -0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3kqx s ALA 186 CO 0.03 0.41 -0.07 0.08 0.00 0.00 0.00 175.76 176.21 3kqx s VAL 187 N -0.29 0.58 0.00 0.00 1.01 -0.03 -0.79 120.40 120.88 3kqx s VAL 187 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3kqx s VAL 187 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3kqx s VAL 187 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3kqx n GLY 188 N 2.78 1.77 3.34 4.51 0.00 -0.04 -0.97 105.19 116.58 3kqx n GLY 188 Ca -0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3kqx n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqx s TYR 189 N -1.79 -0.29 -0.07 1.61 1.13 -0.73 -1.03 117.35 116.19 3kqx s TYR 189 Ca 0.00 -0.01 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 3kqx s TYR 189 Cb 0.00 0.33 0.01 0.00 -1.10 0.00 0.00 41.96 41.20 3kqx s TYR 189 CO 0.00 -0.74 -0.14 0.08 -2.51 0.00 0.00 175.55 172.24 3kqx s VAL 190 N -3.79 1.29 0.15 -3.49 1.01 -0.67 -3.02 120.40 111.88 3kqx s VAL 190 Ca 0.02 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3kqx s VAL 190 Cb 0.01 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 3kqx s VAL 190 CO -0.12 0.39 1.08 -0.83 0.00 0.00 0.00 175.10 175.61 3kqx s GLY 191 N 0.53 2.84 -0.13 4.51 0.00 0.91 -2.64 107.32 113.34 3kqx s GLY 191 Ca -0.14 0.76 0.15 0.00 0.00 0.00 0.00 44.72 45.50 3kqx s GLY 191 CO 0.04 1.65 1.39 0.00 0.00 0.00 0.00 173.10 176.18 3kqx n GLY 193 N -0.19 -0.43 0.00 0.00 0.00 0.10 -4.52 105.19 100.15 3kqx n GLY 193 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.10 1.48 -4.70 1.61 3.41 -1.26 -0.79 113.62 113.27 3kqx n SER 194 Ca 0.00 -1.57 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 3kqx n SER 194 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.57 4.97 0.17 -3.33 1.01 -1.26 -4.20 120.40 117.19 3kqx s VAL 195 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3kqx s VAL 195 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3kqx s VAL 195 CO 0.00 0.50 1.64 0.00 0.00 0.00 0.00 175.10 177.23 3kqx h ALA 196 N 6.26 0.76 -2.59 5.51 0.00 -1.94 -3.41 119.26 123.86 3kqx h ALA 196 Ca -0.42 -0.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.51 3kqx h ALA 196 Cb 1.18 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 18.56 3kqx h ALA 196 CO 0.68 0.56 -0.43 0.16 0.00 0.00 0.00 179.25 180.22 3kqx s ASP 197 N -6.42 6.10 0.22 0.00 1.47 -1.26 -4.62 116.67 112.15 3kqx s ASP 197 Ca -0.12 -0.65 -0.30 0.00 1.18 0.00 0.00 52.55 52.66 3kqx s ASP 197 Cb 0.13 -2.16 -0.09 0.00 -0.34 0.00 0.00 42.92 40.47 3kqx s ASP 197 CO 0.84 -0.36 0.95 -0.76 0.68 0.00 0.00 175.17 176.51 3kqx s LEU 198 N 1.74 4.62 0.78 2.11 1.43 -1.26 -5.05 118.68 123.05 3kqx s LEU 198 Ca 0.06 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 3kqx s LEU 198 Cb -0.18 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3kqx s LEU 198 CO 0.11 0.11 1.15 -0.94 0.23 0.00 0.00 176.35 177.01 3kqx s SER 199 N -0.99 4.75 0.34 2.29 1.04 -1.26 -4.87 113.70 115.01 3kqx s SER 199 Ca 0.42 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.82 3kqx s SER 199 Cb -0.26 -1.48 0.78 0.00 0.10 0.00 0.00 66.02 65.17 3kqx s SER 199 CO 0.32 -1.76 1.85 1.05 0.98 0.00 0.00 173.24 175.68 3kqx h GLU 200 N -0.95 0.71 -0.39 4.02 -0.00 -1.97 -1.34 114.58 114.66 3kqx h GLU 200 Ca -0.46 -0.04 -0.15 0.00 -0.00 0.00 0.00 59.36 58.71 3kqx h GLU 200 Cb 1.31 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.89 3kqx h GLU 200 CO 0.65 0.47 -0.33 0.00 -0.00 0.00 0.00 179.01 179.81 3kqx h ALA 201 N 1.59 0.56 -0.34 1.06 0.00 -1.93 -1.24 119.26 118.97 3kqx h ALA 201 Ca 0.47 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kqx h ALA 201 Cb 0.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kqx h ALA 201 CO -0.23 0.62 0.20 -0.44 0.00 0.00 0.00 179.25 179.40 3kqx h ASP 202 N 0.72 0.41 -0.07 0.00 3.32 -1.84 -2.27 116.42 116.68 3kqx h ASP 202 Ca 0.07 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3kqx h ASP 202 Cb 0.91 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3kqx h ASP 202 CO 0.08 0.34 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.77 3kqx h MET 203 N 0.44 0.41 -0.67 3.56 4.05 -1.15 -1.68 114.93 119.89 3kqx h MET 203 Ca 0.12 -0.12 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 3kqx h MET 203 Cb 0.01 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3kqx h MET 203 CO -0.02 0.55 0.11 0.87 0.23 0.00 0.00 176.91 178.64 3kqx h LYS 204 N 0.38 1.12 -0.68 0.39 1.57 -0.99 -0.34 116.57 118.03 3kqx h LYS 204 Ca 0.07 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3kqx h LYS 204 Cb 0.48 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3kqx h LYS 204 CO 0.03 1.02 0.35 0.00 -0.57 0.00 0.00 179.45 180.29 3kqx h ARG 205 N 1.05 0.96 0.03 3.15 3.08 -0.78 0.20 114.38 122.07 3kqx h ARG 205 Ca 0.20 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3kqx h ARG 205 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3kqx h ARG 205 CO 0.01 0.74 -0.06 0.28 -1.07 0.00 0.00 179.97 179.87 3kqx h VAL 206 N 0.93 0.86 -0.71 2.04 2.07 -1.05 -2.58 116.25 117.81 3kqx h VAL 206 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 3kqx h VAL 206 Cb 0.07 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3kqx h VAL 206 CO -0.03 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.59 3kqx h VAL 207 N -0.12 1.12 -0.92 2.57 2.07 -0.82 -0.97 116.25 119.19 3kqx h VAL 207 Ca 0.01 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.31 3kqx h VAL 207 Cb 0.13 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 3kqx h VAL 207 CO -0.03 0.16 0.57 -0.07 0.02 0.00 0.00 177.57 178.22 3kqx h LEU 208 N 0.90 0.87 -0.28 2.57 4.07 -0.82 0.10 115.31 122.72 3kqx h LEU 208 Ca 0.28 0.03 -0.17 0.00 0.08 0.00 0.00 57.88 58.10 3kqx h LEU 208 Cb -0.02 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 3kqx h LEU 208 CO -0.09 0.52 -0.48 -1.28 -1.08 0.00 0.00 178.44 176.03 3kqx h SER 209 N 0.99 0.91 -0.20 -0.43 0.87 -1.01 -1.93 113.55 112.74 3kqx h SER 209 Ca 0.42 -0.52 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3kqx h SER 209 Cb 0.28 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 3kqx h SER 209 CO -0.21 1.26 -0.10 0.25 -0.53 0.00 0.00 176.83 177.50 3kqx h LEU 210 N 0.59 -0.34 -1.48 2.23 5.85 -0.35 -2.68 115.31 119.13 3kqx h LEU 210 Ca 0.02 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3kqx h LEU 210 Cb 1.08 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3kqx h LEU 210 CO 0.11 -0.14 0.45 0.58 -0.34 0.00 0.00 178.44 179.10 3kqx h VAL 211 N -0.09 0.96 -0.80 1.05 2.07 -0.93 -0.96 116.25 117.56 3kqx h VAL 211 Ca 0.11 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3kqx h VAL 211 Cb 0.25 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3kqx h VAL 211 CO -0.25 0.11 0.52 0.74 0.02 0.00 0.00 177.57 178.71 3kqx h THR 212 N 0.61 1.21 -0.18 2.57 2.02 -1.01 0.25 112.91 118.38 3kqx h THR 212 Ca 0.30 -0.39 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 3kqx h THR 212 Cb 0.39 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3kqx h THR 212 CO -0.10 0.20 -0.64 0.24 0.37 0.00 0.00 175.52 175.60 3kqx h MET 213 N 1.09 0.64 -0.54 6.66 2.07 -1.04 -2.91 114.93 120.90 3kqx h MET 213 Ca 0.29 -0.45 -0.06 0.00 -2.07 0.00 0.00 59.70 57.41 3kqx h MET 213 Cb -0.11 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 3kqx h MET 213 CO -0.06 1.07 0.07 -0.07 1.07 0.00 0.00 176.91 178.99 3kqx h LEU 214 N 0.47 0.81 -0.05 1.22 3.38 0.14 -2.51 115.31 118.77 3kqx h LEU 214 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3kqx h LEU 214 Cb 1.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kqx h LEU 214 CO 0.12 0.83 0.00 1.41 0.09 0.00 0.00 178.44 180.90 3kqx n HIS 215 N -4.24 0.14 0.57 1.13 8.25 0.66 -3.16 115.22 118.57 3kqx n HIS 215 Ca 0.03 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 3kqx n HIS 215 Cb 0.27 -0.58 0.02 0.00 1.12 0.00 0.00 29.99 30.83 3kqx n HIS 215 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqx n ASP 216 N -1.62 1.71 -4.01 0.41 8.00 -0.97 -4.96 116.55 115.12 3kqx n ASP 216 Ca 0.05 -1.36 -0.20 0.00 0.71 0.00 0.00 54.79 53.99 3kqx n ASP 216 Cb 0.27 0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 41.49 3kqx n ASP 216 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kqx s ASN 217 N -1.40 1.25 -0.35 -2.24 0.01 -1.06 -5.07 114.94 106.08 3kqx s ASN 217 Ca 0.13 -0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.83 3kqx s ASN 217 Cb 0.11 -0.31 0.01 0.00 0.41 0.00 0.00 41.25 41.47 3kqx s ASN 217 CO 0.26 0.08 0.88 -1.59 -1.51 0.00 0.00 177.10 175.22 3kqx s LYS 218 N 0.12 3.87 -0.00 -0.60 -2.85 -1.26 -4.89 119.74 114.14 3kqx s LYS 218 Ca -0.02 0.58 -0.00 0.00 -1.00 0.00 0.00 55.97 55.53 3kqx s LYS 218 Cb -0.08 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 31.91 3kqx s LYS 218 CO 0.00 -0.86 0.00 -0.51 0.10 0.00 0.00 175.35 174.08 3kqx s LEU 219 N 3.31 1.92 0.17 2.77 1.43 -1.26 -5.02 118.68 121.99 3kqx s LEU 219 Ca 0.36 0.01 0.17 0.00 -1.03 0.00 0.00 54.13 53.64 3kqx s LEU 219 Cb -0.13 0.00 -0.03 0.00 0.03 0.00 0.00 46.19 46.07 3kqx s LEU 219 CO 0.17 -0.01 1.10 0.77 0.23 0.00 0.00 176.35 178.60 3kqx h SER 220 N 6.24 0.00 -4.10 2.29 4.64 -1.95 -3.34 113.55 117.34 3kqx h SER 220 Ca -0.26 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.88 3kqx h SER 220 Cb 1.20 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.04 3kqx h SER 220 CO 0.51 0.43 -0.53 -0.75 -0.87 0.00 0.00 176.83 175.62 3kqx s LYS 221 N -3.02 0.26 -0.04 4.77 2.20 -1.26 -0.40 119.74 122.25 3kqx s LYS 221 Ca 0.00 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.73 3kqx s LYS 221 Cb 0.08 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 3kqx s LYS 221 CO 0.78 -0.04 -0.24 -1.17 -0.36 0.00 0.00 175.35 174.32 3kqx s LEU 222 N -0.30 2.04 -0.07 5.43 2.96 -0.81 -1.44 118.68 126.49 3kqx s LEU 222 Ca -0.04 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3kqx s LEU 222 Cb -0.03 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.38 3kqx s LEU 222 CO 0.01 0.26 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.22 3kqx s THR 223 N -0.30 1.59 -0.16 3.68 2.01 0.32 -0.86 115.64 121.92 3kqx s THR 223 Ca 0.02 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3kqx s THR 223 Cb -0.12 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.01 3kqx s THR 223 CO 0.02 0.46 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.54 3kqx s VAL 224 N 0.27 2.37 -0.29 3.82 1.01 -0.39 -0.79 120.40 126.40 3kqx s VAL 224 Ca -0.11 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 3kqx s VAL 224 Cb -0.15 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3kqx s VAL 224 CO 0.05 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 175.08 3kqx s VAL 225 N 0.99 4.23 -0.60 2.92 1.01 0.45 -1.11 120.40 128.29 3kqx s VAL 225 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 3kqx s VAL 225 Cb -0.15 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3kqx s VAL 225 CO -0.04 0.13 1.25 -0.36 0.00 0.00 0.00 175.10 176.08 3kqx s PHE 226 N 1.56 2.49 -0.37 5.22 0.40 -0.28 -0.82 117.98 126.18 3kqx s PHE 226 Ca 0.04 0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.79 3kqx s PHE 226 Cb -0.17 -4.51 0.51 0.00 0.51 0.00 0.00 43.02 39.36 3kqx s PHE 226 CO 0.04 -1.74 1.57 0.39 0.70 0.00 0.00 175.22 176.18 3kqx n GLU 227 N 8.63 2.32 -4.24 0.44 1.02 -0.41 -4.66 120.64 123.73 3kqx n GLU 227 Ca 0.08 -3.36 -0.14 0.00 -0.02 0.00 0.00 57.16 53.73 3kqx n GLU 227 Cb 0.49 -2.02 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.74 1.10 0.01 -3.67 -4.36 -1.23 -4.51 121.20 104.80 3kqx s ILE 228 Ca 0.50 -2.04 -0.16 0.00 -0.26 0.00 0.00 60.65 58.70 3kqx s ILE 228 Cb 0.43 -1.82 -0.06 0.00 1.25 0.00 0.00 42.46 42.27 3kqx s ILE 228 CO 0.02 -0.76 0.45 0.20 0.24 0.00 0.00 174.94 175.08 3kqx s ASN 229 N -3.14 6.86 -0.07 4.36 0.01 -1.26 -5.03 114.94 116.66 3kqx s ASN 229 Ca 0.16 1.02 -0.04 0.00 -0.71 0.00 0.00 52.86 53.28 3kqx s ASN 229 Cb 0.03 -2.28 0.03 0.00 0.41 0.00 0.00 41.25 39.44 3kqx s ASN 229 CO -0.00 0.29 0.17 0.54 -1.51 0.00 0.00 177.10 176.59 3kqx s VAL 230 N -0.97 -0.03 0.95 1.60 0.11 -1.26 -4.75 120.40 116.05 3kqx s VAL 230 Ca 0.25 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.26 3kqx s VAL 230 Cb -0.17 -0.26 0.17 0.00 -1.53 0.00 0.00 36.38 34.60 3kqx s VAL 230 CO 0.14 0.05 1.23 1.51 -3.33 0.00 0.00 175.10 174.70 3kqx s ASP 231 N 0.80 3.20 0.24 3.54 3.84 -1.26 -4.78 116.67 122.25 3kqx s ASP 231 Ca -0.06 0.54 -0.05 0.00 -0.00 0.00 0.00 52.55 52.98 3kqx s ASP 231 Cb -0.08 -0.79 0.36 0.00 -1.38 0.00 0.00 42.92 41.03 3kqx s ASP 231 CO -0.04 -2.70 1.83 0.11 -0.00 0.00 0.00 175.17 174.37 3kqx h LYS 232 N -1.61 0.85 -0.65 2.11 1.57 -1.99 -0.74 116.57 116.12 3kqx h LYS 232 Ca -0.46 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 3kqx h LYS 232 Cb 1.28 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 3kqx h LYS 232 CO 0.48 0.56 0.11 -0.91 -0.57 0.00 0.00 179.45 179.12 3kqx h ASN 233 N 0.88 1.02 0.39 0.86 2.35 -1.93 -0.42 115.58 118.75 3kqx h ASN 233 Ca 0.38 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 3kqx h ASN 233 Cb 0.27 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3kqx h ASN 233 CO -0.21 1.02 -0.67 0.25 -1.65 0.00 0.00 177.43 176.18 3kqx h LEU 234 N 0.99 0.29 -0.13 1.61 5.85 -1.86 -1.04 115.31 121.01 3kqx h LEU 234 Ca 0.20 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kqx h LEU 234 Cb 0.43 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kqx h LEU 234 CO 0.01 0.87 0.08 0.15 -0.34 0.00 0.00 178.44 179.22 3kqx h PHE 235 N 0.18 0.16 -0.94 1.25 3.57 -0.93 0.15 116.94 120.37 3kqx h PHE 235 Ca -0.02 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3kqx h PHE 235 Cb 1.20 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 3kqx h PHE 235 CO 0.03 0.10 0.61 -0.09 -2.23 0.00 0.00 178.31 176.73 3kqx h ARG 236 N 0.17 1.14 -0.48 1.11 2.43 -0.72 -2.01 114.38 116.03 3kqx h ARG 236 Ca 0.05 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3kqx h ARG 236 Cb -0.02 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 3kqx h ARG 236 CO -0.01 0.76 -0.00 0.35 -1.51 0.00 0.00 179.97 179.55 3kqx h PHE 237 N 1.18 0.84 -0.56 2.20 3.57 -0.97 -0.30 116.94 122.90 3kqx h PHE 237 Ca 0.38 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.79 3kqx h PHE 237 Cb 0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3kqx h PHE 237 CO -0.01 0.78 0.33 0.35 -2.23 0.00 0.00 178.31 177.53 3kqx h PHE 238 N 0.74 0.61 -0.22 0.41 3.57 0.02 -1.82 116.94 120.27 3kqx h PHE 238 Ca 0.14 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 3kqx h PHE 238 Cb 0.45 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3kqx h PHE 238 CO 0.02 0.34 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.04 3kqx h LEU 239 N 0.64 0.66 -0.84 0.59 4.07 -1.00 -1.26 115.31 118.18 3kqx h LEU 239 Ca 0.23 -0.52 -0.05 0.00 0.08 0.00 0.00 57.88 57.62 3kqx h LEU 239 Cb 0.06 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 3kqx h LEU 239 CO -0.12 1.05 0.25 -0.33 -1.08 0.00 0.00 178.44 178.21 3kqx h GLU 240 N 0.29 1.10 -0.11 1.13 5.08 -0.87 0.19 114.58 121.39 3kqx h GLU 240 Ca 0.02 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 3kqx h GLU 240 Cb 0.91 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3kqx h GLU 240 CO 0.08 0.92 -0.38 1.15 -1.00 0.00 0.00 179.01 179.78 3kqx h THR 241 N 1.06 1.38 -0.42 1.13 2.02 -1.34 0.42 112.91 117.17 3kqx h THR 241 Ca 0.24 -1.70 0.07 0.00 0.77 0.00 0.00 66.41 65.79 3kqx h THR 241 Cb 0.27 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 3kqx h THR 241 CO -0.01 0.50 0.03 0.25 0.37 0.00 0.00 175.52 176.66 3kqx h LEU 242 N 0.02 -0.12 -0.15 2.58 5.85 -0.94 0.30 115.31 122.86 3kqx h LEU 242 Ca -0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kqx h LEU 242 Cb 1.01 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3kqx h LEU 242 CO 0.08 -0.02 0.07 -0.26 -0.34 0.00 0.00 178.44 177.96 3kqx h PHE 243 N 0.14 0.21 -0.50 1.25 0.04 -0.84 -1.59 116.94 115.65 3kqx h PHE 243 Ca 0.21 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3kqx h PHE 243 Cb 0.28 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3kqx h PHE 243 CO -0.25 0.26 0.18 -0.92 -0.60 0.00 0.00 178.31 176.98 3kqx h TYR 244 N 0.10 0.78 -0.01 -0.55 3.20 -0.51 -1.98 116.97 117.99 3kqx h TYR 244 Ca 0.05 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 3kqx h TYR 244 Cb 0.13 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3kqx h TYR 244 CO -0.02 0.67 -0.59 0.93 -1.64 0.00 0.00 178.16 177.51 3kqx h GLU 245 N 0.67 0.03 -0.12 1.82 4.39 -0.40 -3.23 114.58 117.73 3kqx h GLU 245 Ca 0.16 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 3kqx h GLU 245 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kqx h GLU 245 CO -0.01 0.60 -0.31 -0.92 -1.16 0.00 0.00 179.01 177.22 3kqx h TYR 246 N 0.02 0.54 -2.55 4.33 3.20 -1.18 -3.45 116.97 117.89 3kqx h TYR 246 Ca -0.01 -0.21 -0.55 0.00 3.14 0.00 0.00 58.73 61.10 3kqx h TYR 246 Cb 1.04 -0.10 0.06 0.00 1.54 0.00 0.00 36.73 39.28 3kqx h TYR 246 CO 0.00 0.93 0.89 -0.12 -1.64 0.00 0.00 178.16 178.22 3kqx n MET 247 N -4.40 2.48 -4.59 1.82 1.56 -0.76 -5.00 117.12 108.23 3kqx n MET 247 Ca -0.07 0.89 -0.33 0.00 -0.27 0.00 0.00 57.70 57.92 3kqx n MET 247 Cb 0.48 -2.69 -0.14 0.00 2.15 0.00 0.00 33.22 33.02 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 0.89 3.08 -0.64 1.12 2.01 -1.26 -4.97 115.64 115.87 3kqx s THR 248 Ca 0.75 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 3kqx s THR 248 Cb -0.58 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 69.65 3kqx s THR 248 CO 0.37 0.51 1.10 -0.62 -0.69 0.00 0.00 174.62 175.28 3kqx s ASP 249 N 0.58 6.27 -0.22 3.53 -1.08 -1.26 -4.89 116.67 119.60 3kqx s ASP 249 Ca -0.07 -0.44 0.15 0.00 -0.52 0.00 0.00 52.55 51.67 3kqx s ASP 249 Cb -0.15 -2.49 0.60 0.00 -1.46 0.00 0.00 42.92 39.41 3kqx s ASP 249 CO 0.03 -1.51 1.53 -0.62 0.52 0.00 0.00 175.17 175.12 3kqx n GLU 250 N 8.28 3.21 0.20 4.34 1.02 -1.26 -4.70 120.64 131.72 3kqx n GLU 250 Ca 0.02 -2.96 0.04 0.00 -0.02 0.00 0.00 57.16 54.24 3kqx n GLU 250 Cb 0.48 -1.96 0.44 0.00 -0.02 0.00 0.00 31.44 30.38 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 2.15 0.01 -0.75 3.49 3.08 -1.98 -2.30 114.38 118.09 3kqx h ARG 251 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kqx h ARG 251 Cb 1.67 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3kqx h ARG 251 CO 0.35 0.26 0.00 1.19 -1.07 0.00 0.00 179.97 180.70 3kqx n PHE 252 N -4.24 0.99 -3.25 3.04 3.01 -1.26 -4.95 117.46 110.81 3kqx n PHE 252 Ca -0.02 -0.50 -0.33 0.00 1.01 0.00 0.00 57.45 57.61 3kqx n PHE 252 Cb 0.31 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.00 3.94 -0.47 -1.08 -0.14 -0.87 -5.27 119.74 114.85 3kqx s LYS 253 Ca 0.50 0.52 0.03 0.00 -1.36 0.00 0.00 55.97 55.66 3kqx s LYS 253 Cb 0.26 -2.57 0.44 0.00 -1.68 0.00 0.00 37.83 34.28 3kqx s LYS 253 CO 0.34 0.25 1.48 -1.13 -0.76 0.00 0.00 175.35 175.52 3kqx n SER 254 N -0.15 5.86 -3.80 2.83 3.41 -1.26 -5.08 113.62 115.43 3kqx n SER 254 Ca 0.02 -3.76 -0.30 0.00 -0.26 0.00 0.00 58.87 54.56 3kqx n SER 254 Cb 0.53 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 3kqx n SER 254 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kqx s GLU 262 N -3.70 0.89 0.55 4.33 8.01 -1.26 -5.20 118.70 122.32 3kqx s GLU 262 Ca 0.54 -1.25 -0.18 0.00 0.01 0.00 0.00 54.97 54.09 3kqx s GLU 262 Cb 0.44 -2.27 -0.06 0.00 -4.31 0.00 0.00 34.13 27.93 3kqx s GLU 262 CO -0.07 -0.97 1.08 0.71 0.01 0.00 0.00 175.26 176.02 3kqx s TYR 263 N 1.46 2.84 0.72 1.61 2.02 -1.26 -4.67 117.35 120.06 3kqx s TYR 263 Ca 0.10 1.55 -0.16 0.00 -0.37 0.00 0.00 57.07 58.19 3kqx s TYR 263 Cb -0.18 -3.14 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 3kqx s TYR 263 CO -0.21 -1.24 1.01 0.44 -1.57 0.00 0.00 175.55 173.98 3kqx n ILE 264 N -1.46 2.97 0.59 2.71 -5.35 -1.25 -4.91 119.36 112.65 3kqx n ILE 264 Ca 0.10 -0.37 0.06 0.00 -0.27 0.00 0.00 62.75 62.27 3kqx n ILE 264 Cb 0.52 -1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 37.21 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 -1.94 2.88 -3.91 6.28 5.02 0.47 -4.66 118.16 122.29 3kqx n LYS 265 Ca 0.13 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3kqx n LYS 265 Cb 0.49 -1.09 -0.14 0.00 -0.02 0.00 0.00 35.03 34.28 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 -2.17 0.08 -0.15 2.13 3.76 -1.01 -1.23 115.29 116.69 3kqx s HIS 266 Ca 0.05 -0.04 -0.00 0.00 -0.15 0.00 0.00 55.06 54.92 3kqx s HIS 266 Cb 0.09 -0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.77 3kqx s HIS 266 CO 0.51 -0.01 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.15 3kqx s LEU 267 N -0.09 1.53 -0.04 0.89 2.96 -0.05 -1.92 118.68 121.96 3kqx s LEU 267 Ca -0.01 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3kqx s LEU 267 Cb -0.01 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 3kqx s LEU 267 CO -0.00 -0.15 0.05 -0.83 -1.32 0.00 0.00 176.35 174.10 3kqx s GLY 268 N 1.63 1.96 -0.07 7.98 0.00 -0.04 -0.96 107.32 117.81 3kqx s GLY 268 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3kqx s GLY 268 CO -0.08 -0.68 -0.09 0.14 0.00 0.00 0.00 173.10 172.39 3kqx s VAL 269 N -1.08 0.96 -0.16 1.40 1.01 0.06 -1.27 120.40 121.33 3kqx s VAL 269 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3kqx s VAL 269 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3kqx s VAL 269 CO 0.09 0.33 -0.01 -0.31 0.00 0.00 0.00 175.10 175.20 3kqx s TYR 270 N 1.04 3.08 -0.13 5.22 1.51 -0.26 -0.48 117.35 127.32 3kqx s TYR 270 Ca -0.08 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 55.57 3kqx s TYR 270 Cb -0.15 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.79 3kqx s TYR 270 CO -0.00 0.04 0.56 -1.50 -1.11 0.00 0.00 175.55 173.53 3kqx s ILE 271 N 0.28 0.01 0.30 2.71 2.07 -0.81 -1.12 121.20 124.64 3kqx s ILE 271 Ca -0.02 -0.09 -0.29 0.00 -1.41 0.00 0.00 60.65 58.84 3kqx s ILE 271 Cb -0.14 -0.82 -0.11 0.00 0.13 0.00 0.00 42.46 41.52 3kqx s ILE 271 CO 0.02 -0.05 1.46 0.21 -1.91 0.00 0.00 174.94 174.67 3kqx s ASN 272 N -0.42 6.55 -1.28 4.50 2.47 -1.26 -2.70 114.94 122.80 3kqx s ASN 272 Ca -0.06 2.81 -0.01 0.00 0.42 0.00 0.00 52.86 56.02 3kqx s ASN 272 Cb -0.03 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3kqx s ASN 272 CO 0.04 -0.75 0.83 0.59 -3.72 0.00 0.00 177.10 174.09 3kqx n ASN 273 N 1.65 -1.78 -0.21 -4.21 3.02 -1.26 -4.92 115.26 107.53 3kqx n ASN 273 Ca 0.05 -0.74 0.08 0.00 -0.03 0.00 0.00 54.58 53.94 3kqx n ASN 273 Cb 0.40 -4.47 0.35 0.00 -0.61 0.00 0.00 39.78 35.45 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 0.89 1.72 -0.24 5.41 0.00 -1.83 -2.47 119.26 122.73 3kqx h ALA 274 Ca -0.60 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3kqx h ALA 274 Cb 1.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kqx h ALA 274 CO 0.55 0.13 0.16 -0.44 0.00 0.00 0.00 179.25 179.65 3kqx h ASP 275 N 0.76 0.21 0.89 0.00 3.32 -1.91 0.27 116.42 119.96 3kqx h ASP 275 Ca 0.35 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3kqx h ASP 275 Cb 0.37 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3kqx h ASP 275 CO -0.13 0.15 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 3kqx n THR 276 N -4.50 0.77 0.02 0.35 -2.24 -0.93 -3.49 114.28 104.27 3kqx n THR 276 Ca 0.01 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 3kqx n THR 276 Cb 0.14 -1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 67.21 3kqx n THR 276 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kqx n TYR 277 N -2.24 0.30 -0.31 4.78 4.01 0.94 -4.54 117.16 120.10 3kqx n TYR 277 Ca 0.03 0.09 0.06 0.00 -0.16 0.00 0.00 57.90 57.92 3kqx n TYR 277 Cb 0.27 -0.66 0.21 0.00 -0.31 0.00 0.00 39.34 38.85 3kqx n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqx h LYS 278 N 0.00 0.73 -0.02 -0.72 1.57 -1.54 -0.77 116.57 115.82 3kqx h LYS 278 Ca -0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kqx h LYS 278 Cb 1.06 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3kqx h LYS 278 CO 0.00 0.48 0.09 0.93 -0.57 0.00 0.00 179.45 180.39 3kqx h GLU 279 N 0.75 0.00 0.00 3.15 5.08 -1.81 -2.22 114.58 119.53 3kqx h GLU 279 Ca 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 3kqx h GLU 279 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kqx h GLU 279 CO -0.30 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 178.56 3kqx h GLU 280 N 0.00 0.00 0.67 2.33 4.39 -1.44 -3.36 114.58 117.17 3kqx h GLU 280 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3kqx h GLU 280 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3kqx h GLU 280 CO -0.00 0.07 -0.37 0.28 -1.16 0.00 0.00 179.01 177.84 3kqx h VAL 281 N 0.00 0.26 0.00 3.13 2.07 -1.52 -0.13 116.25 120.06 3kqx h VAL 281 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kqx h VAL 281 Cb 0.97 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3kqx h VAL 281 CO 0.01 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 177.03 3kqx h GLU 282 N -0.96 0.00 -0.49 1.57 4.39 -1.78 -2.28 114.58 115.03 3kqx h GLU 282 Ca -0.09 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 3kqx h GLU 282 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 3kqx h GLU 282 CO 0.12 0.24 0.08 -0.22 -1.16 0.00 0.00 179.01 178.07 3kqx h LYS 283 N 0.00 0.81 -1.00 2.33 3.64 -1.68 -2.38 116.57 118.30 3kqx h LYS 283 Ca -0.00 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3kqx h LYS 283 Cb 0.89 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 3kqx h LYS 283 CO 0.03 0.81 0.66 0.00 -2.27 0.00 0.00 179.45 178.68 3kqx h ALA 284 N 0.97 1.32 -0.43 5.00 0.00 -0.59 0.50 119.26 126.02 3kqx h ALA 284 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kqx h ALA 284 Cb 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kqx h ALA 284 CO 0.01 0.56 -0.09 -0.09 0.00 0.00 0.00 179.25 179.64 3kqx h ARG 285 N 1.28 0.76 -0.30 0.00 2.43 -1.31 0.35 114.38 117.59 3kqx h ARG 285 Ca 0.40 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3kqx h ARG 285 Cb -0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3kqx h ARG 285 CO -0.12 0.83 -0.12 0.28 -1.51 0.00 0.00 179.97 179.33 3kqx h VAL 286 N 0.70 1.29 -0.39 0.20 2.07 -0.99 -2.74 116.25 116.39 3kqx h VAL 286 Ca 0.12 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 3kqx h VAL 286 Cb 0.56 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3kqx h VAL 286 CO 0.03 0.39 -0.25 1.88 0.02 0.00 0.00 177.57 179.64 3kqx h TYR 287 N 0.37 0.93 -0.26 1.57 -1.99 -0.61 -1.49 116.97 115.49 3kqx h TYR 287 Ca 0.07 -0.23 0.06 0.00 2.00 0.00 0.00 58.73 60.63 3kqx h TYR 287 Cb 0.64 -0.22 -0.08 0.00 2.00 0.00 0.00 36.73 39.07 3kqx h TYR 287 CO 0.06 0.98 -0.35 -0.92 -0.00 0.00 0.00 178.16 177.93 3kqx h TYR 288 N 0.70 -0.97 -0.66 4.88 3.20 -0.34 -2.21 116.97 121.57 3kqx h TYR 288 Ca 0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3kqx h TYR 288 Cb 0.79 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3kqx h TYR 288 CO 0.04 -0.41 0.29 0.35 -1.64 0.00 0.00 178.16 176.79 3kqx h PHE 289 N -0.35 0.98 -0.99 -3.82 3.57 -1.15 0.64 116.94 115.83 3kqx h PHE 289 Ca 0.13 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3kqx h PHE 289 Cb 0.56 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 3kqx h PHE 289 CO -0.49 0.76 0.64 0.78 -2.23 0.00 0.00 178.31 177.77 3kqx h GLY 290 N 0.92 1.50 1.14 2.40 0.00 -1.18 0.44 103.07 108.30 3kqx h GLY 290 Ca 0.22 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 3kqx h GLY 290 CO -0.02 0.34 -0.59 -0.84 0.00 0.00 0.00 176.54 175.43 3kqx h THR 291 N 1.17 1.28 -0.24 4.70 2.02 -0.81 -1.54 112.91 119.50 3kqx h THR 291 Ca 0.42 -1.78 -0.17 0.00 0.77 0.00 0.00 66.41 65.65 3kqx h THR 291 Cb 0.14 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3kqx h THR 291 CO -0.17 0.58 -0.54 0.22 0.37 0.00 0.00 175.52 175.98 3kqx h TYR 292 N 0.63 0.88 -0.12 3.16 3.20 0.83 -1.49 116.97 124.05 3kqx h TYR 292 Ca -0.00 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 3kqx h TYR 292 Cb 1.21 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3kqx h TYR 292 CO 0.08 1.09 0.05 -0.92 -1.64 0.00 0.00 178.16 176.81 3kqx h TYR 293 N 0.54 0.19 -0.57 -3.82 3.20 -0.07 -0.87 116.97 115.57 3kqx h TYR 293 Ca 0.01 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3kqx h TYR 293 Cb 1.11 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.24 3kqx h TYR 293 CO 0.06 0.29 0.08 0.00 -1.64 0.00 0.00 178.16 176.94 3kqx h ALA 294 N 0.88 0.64 -0.88 1.82 0.00 -1.21 -2.30 119.26 118.21 3kqx h ALA 294 Ca 0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kqx h ALA 294 Cb 0.18 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3kqx h ALA 294 CO -0.00 -0.34 0.57 1.03 0.00 0.00 0.00 179.25 180.51 3kqx h SER 295 N 0.20 0.96 -0.41 0.00 0.87 -0.99 -1.09 113.55 113.08 3kqx h SER 295 Ca 0.30 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3kqx h SER 295 Cb 0.45 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 3kqx h SER 295 CO -0.42 0.66 0.17 1.56 -0.53 0.00 0.00 176.83 178.27 3kqx h GLN 296 N 1.12 0.34 -0.36 2.24 4.20 -0.86 0.17 115.11 121.95 3kqx h GLN 296 Ca 0.35 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 3kqx h GLN 296 Cb -0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3kqx h GLN 296 CO -0.11 0.22 0.15 -0.07 -0.67 0.00 0.00 178.83 178.36 3kqx h LEU 297 N 0.35 0.49 0.39 1.46 3.38 -0.84 -2.19 115.31 118.35 3kqx h LEU 297 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kqx h LEU 297 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kqx h LEU 297 CO -0.17 0.51 -0.19 0.40 0.09 0.00 0.00 178.44 179.09 3kqx h ILE 298 N 0.44 0.62 -0.03 1.22 2.04 -1.03 -3.10 117.51 117.66 3kqx h ILE 298 Ca 0.12 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3kqx h ILE 298 Cb 0.17 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3kqx h ILE 298 CO -0.01 0.04 0.03 0.00 0.00 0.00 0.00 178.15 178.21 3kqx h ALA 299 N -0.07 1.84 -2.27 1.87 0.00 -0.72 -3.41 119.26 116.51 3kqx h ALA 299 Ca -0.05 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 3kqx h ALA 299 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kqx h ALA 299 CO 0.09 -0.05 1.21 0.00 0.00 0.00 0.00 179.25 180.50 3kqx n ALA 300 N -2.46 1.41 -0.95 0.00 0.00 -0.82 -4.94 120.51 112.75 3kqx n ALA 300 Ca -0.02 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 3kqx n ALA 300 Cb 0.12 -2.64 0.14 0.00 0.00 0.00 0.00 19.45 17.07 3kqx n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqx s PRO 301 N 4.40 1.30 0.59 0.00 0.02 -1.26 -4.56 135.00 135.50 3kqx s PRO 301 Ca 0.90 1.25 0.35 0.00 0.02 0.00 0.00 61.00 63.53 3kqx s PRO 301 Cb -0.50 -1.78 1.86 0.00 0.02 0.00 0.00 34.50 34.10 3kqx s PRO 301 CO 0.45 -2.34 2.20 0.77 -0.33 0.00 0.00 177.00 177.75 3kqx h SER 302 N -1.64 0.00 0.39 2.53 0.02 -1.80 0.27 113.55 113.32 3kqx h SER 302 Ca -0.46 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 3kqx h SER 302 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3kqx h SER 302 CO 0.47 0.04 -0.64 -0.55 -1.14 0.00 0.00 176.83 175.01 3kqx h ASN 303 N 0.00 0.28 0.04 3.07 -1.07 -1.93 -3.33 115.58 112.63 3kqx h ASN 303 Ca -0.00 -0.17 -0.15 0.00 0.07 0.00 0.00 56.30 56.06 3kqx h ASN 303 Cb 0.18 -0.08 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 3kqx h ASN 303 CO 0.00 0.84 -0.76 1.88 0.07 0.00 0.00 177.43 179.47 3kqx h TYR 304 N 0.17 0.15 -3.44 4.14 0.05 -1.59 -3.41 116.97 113.04 3kqx h TYR 304 Ca -0.01 -0.11 -0.77 0.00 0.05 0.00 0.00 58.73 57.89 3kqx h TYR 304 Cb 1.16 -0.01 -0.26 0.00 1.01 0.00 0.00 36.73 38.64 3kqx h TYR 304 CO 0.02 1.30 -0.12 0.00 -1.05 0.00 0.00 178.16 178.31 3kqx s ASN 306 N 2.75 3.60 0.56 0.00 2.20 -1.26 -4.34 114.94 118.45 3kqx s ASN 306 Ca 0.10 -1.66 0.31 0.00 -0.94 0.00 0.00 52.86 50.68 3kqx s ASN 306 Cb -0.21 0.49 1.66 0.00 -2.00 0.00 0.00 41.25 41.19 3kqx s ASN 306 CO -0.03 -0.87 2.14 -0.65 -2.94 0.00 0.00 177.10 174.75 3kqx h PRO 307 N 1.53 0.00 0.03 3.55 0.11 -1.87 -0.34 132.00 135.02 3kqx h PRO 307 Ca -0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 3kqx h PRO 307 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3kqx h PRO 307 CO 0.68 0.07 -0.86 0.28 -0.21 0.00 0.00 178.00 177.95 3kqx h VAL 308 N 0.00 1.25 -0.01 3.15 2.07 -1.95 -3.02 116.25 117.75 3kqx h VAL 308 Ca -0.00 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.13 3kqx h VAL 308 Cb 0.25 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3kqx h VAL 308 CO 0.01 0.51 -0.44 0.77 0.02 0.00 0.00 177.57 178.44 3kqx h SER 309 N -0.83 0.03 -0.23 0.57 4.64 -1.80 0.09 113.55 116.02 3kqx h SER 309 Ca -0.22 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 3kqx h SER 309 Cb 1.31 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kqx h SER 309 CO -0.07 0.47 -0.33 0.25 -0.87 0.00 0.00 176.83 176.27 3kqx h LEU 310 N 0.02 0.69 -0.82 5.97 6.46 -1.19 -0.95 115.31 125.49 3kqx h LEU 310 Ca -0.00 -0.51 -0.11 0.00 -0.12 0.00 0.00 57.88 57.13 3kqx h LEU 310 Cb 0.79 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 3kqx h LEU 310 CO 0.06 1.07 -0.35 0.77 -0.62 0.00 0.00 178.44 179.36 3kqx h SER 311 N 0.33 0.48 -0.43 1.25 4.64 -1.38 -0.77 113.55 117.67 3kqx h SER 311 Ca 0.02 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 3kqx h SER 311 Cb 0.92 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3kqx h SER 311 CO 0.08 0.80 -0.01 0.78 -0.87 0.00 0.00 176.83 177.61 3kqx h ASN 312 N 0.40 0.81 -0.70 4.97 2.35 -0.86 -1.43 115.58 121.12 3kqx h ASN 312 Ca 0.04 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3kqx h ASN 312 Cb 0.80 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 3kqx h ASN 312 CO 0.06 0.88 0.18 0.00 -1.65 0.00 0.00 177.43 176.91 3kqx h ALA 313 N 1.21 0.92 -0.72 -0.83 0.00 -0.85 -1.79 119.26 117.19 3kqx h ALA 313 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kqx h ALA 313 Cb 0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kqx h ALA 313 CO 0.02 0.63 0.40 0.00 0.00 0.00 0.00 179.25 180.31 3kqx h ALA 314 N 1.09 1.35 -0.33 0.00 0.00 -0.68 -0.63 119.26 120.05 3kqx h ALA 314 Ca 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3kqx h ALA 314 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kqx h ALA 314 CO 0.00 0.54 -0.10 0.28 0.00 0.00 0.00 179.25 179.97 3kqx h VAL 315 N 1.00 1.28 -0.61 0.00 2.07 -0.87 -1.87 116.25 117.26 3kqx h VAL 315 Ca 0.26 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3kqx h VAL 315 Cb 0.01 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3kqx h VAL 315 CO -0.04 0.38 0.38 -0.08 0.02 0.00 0.00 177.57 178.22 3kqx h GLU 316 N 0.44 0.72 -0.56 1.57 4.81 -0.95 -0.76 114.58 119.85 3kqx h GLU 316 Ca 0.08 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3kqx h GLU 316 Cb 0.60 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3kqx h GLU 316 CO 0.04 0.48 0.26 1.25 -0.73 0.00 0.00 179.01 180.31 3kqx h LEU 317 N 0.74 0.35 -0.92 1.64 5.85 -0.97 -1.15 115.31 120.84 3kqx h LEU 317 Ca 0.24 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3kqx h LEU 317 Cb 0.01 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kqx h LEU 317 CO -0.10 0.23 0.19 0.00 -0.34 0.00 0.00 178.44 178.42 3kqx h ALA 318 N 1.33 1.13 -0.07 1.25 0.00 -0.89 -1.50 119.26 120.51 3kqx h ALA 318 Ca 0.26 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3kqx h ALA 318 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kqx h ALA 318 CO -0.21 0.60 -0.52 1.96 0.00 0.00 0.00 179.25 181.08 3kqx h GLN 319 N 0.94 0.19 0.00 0.00 4.20 -0.70 0.96 115.11 120.71 3kqx h GLN 319 Ca 0.21 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 3kqx h GLN 319 Cb 0.28 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3kqx h GLN 319 CO -0.01 0.67 -0.52 0.87 -0.67 0.00 0.00 178.83 179.17 3kqx h LYS 320 N 0.15 0.00 -0.30 1.46 1.57 -0.40 -3.21 116.57 115.84 3kqx h LYS 320 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqx h LYS 320 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3kqx h LYS 320 CO 0.08 0.52 0.00 1.28 -0.57 0.00 0.00 179.45 180.76 3kqx n LEU 321 N -3.50 2.98 -3.50 2.94 4.77 -0.64 -4.99 117.00 115.07 3kqx n LEU 321 Ca 0.00 -1.53 -0.25 0.00 -0.03 0.00 0.00 56.01 54.20 3kqx n LEU 321 Cb 0.62 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3kqx n LEU 321 CO 0.40 0.66 0.09 0.59 -1.33 0.00 0.00 177.39 177.80 3kqx n ASN 322 N 1.04 -5.43 -4.86 -1.43 3.02 -0.06 -4.96 115.26 102.58 3kqx n ASN 322 Ca 0.14 -0.52 -0.32 0.00 -0.03 0.00 0.00 54.58 53.86 3kqx n ASN 322 Cb 0.48 -4.35 -0.05 0.00 -0.61 0.00 0.00 39.78 35.26 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 -7.01 4.05 0.59 3.41 1.43 0.13 -5.02 118.68 116.26 3kqx s LEU 323 Ca 0.51 1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 54.54 3kqx s LEU 323 Cb -0.24 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 3kqx s LEU 323 CO 0.63 -0.21 1.20 -1.61 0.23 0.00 0.00 176.35 176.59 3kqx s GLU 324 N -3.14 3.00 -0.02 1.70 2.02 -1.02 -4.59 118.70 116.66 3kqx s GLU 324 Ca 0.51 1.81 -0.15 0.00 0.02 0.00 0.00 54.97 57.16 3kqx s GLU 324 Cb -0.10 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.21 3kqx s GLU 324 CO 0.22 -1.18 0.32 1.52 0.02 0.00 0.00 175.26 176.16 3kqx s TYR 325 N -1.61 -0.19 -0.13 1.61 -0.85 -1.26 -0.98 117.35 113.93 3kqx s TYR 325 Ca 0.77 0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 57.56 3kqx s TYR 325 Cb -0.30 0.10 0.06 0.00 0.38 0.00 0.00 41.96 42.20 3kqx s TYR 325 CO 0.33 -0.39 0.29 0.21 -1.52 0.00 0.00 175.55 174.47 3kqx s LYS 326 N -1.30 0.23 -0.26 -3.49 2.20 -0.26 -5.01 119.74 111.86 3kqx s LYS 326 Ca -0.13 0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 56.10 3kqx s LYS 326 Cb -0.05 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 3kqx s LYS 326 CO 0.04 -0.21 0.03 0.42 -0.36 0.00 0.00 175.35 175.28 3kqx s ILE 327 N 1.74 3.84 -0.15 5.43 -1.09 -1.26 -1.58 121.20 128.14 3kqx s ILE 327 Ca -0.06 -0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 57.69 3kqx s ILE 327 Cb -0.11 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 3kqx s ILE 327 CO -0.10 0.27 0.54 -0.76 -1.23 0.00 0.00 174.94 173.67 3kqx s LEU 328 N 1.52 4.23 0.00 2.97 1.02 0.01 -4.88 118.68 123.54 3kqx s LEU 328 Ca 0.05 0.83 -0.00 0.00 0.02 0.00 0.00 54.13 55.02 3kqx s LEU 328 Cb -0.16 -2.78 0.15 0.00 0.02 0.00 0.00 46.19 43.43 3kqx s LEU 328 CO 0.01 -0.10 1.03 0.61 0.02 0.00 0.00 176.35 177.91 3kqx n GLY 329 N 3.50 0.61 0.24 -3.19 0.00 -1.26 -1.03 105.19 104.05 3kqx n GLY 329 Ca -0.05 -2.03 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.63 0.97 -0.63 1.61 2.07 -1.97 -0.30 116.25 117.37 3kqx h VAL 330 Ca -0.34 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3kqx h VAL 330 Cb 1.25 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3kqx h VAL 330 CO 0.36 0.11 0.36 0.11 0.02 0.00 0.00 177.57 178.53 3kqx h LYS 331 N 0.62 0.87 -0.36 1.57 6.56 -1.96 0.12 116.57 123.98 3kqx h LYS 331 Ca 0.26 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.70 3kqx h LYS 331 Cb 0.15 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 3kqx h LYS 331 CO -0.17 0.65 -0.02 0.93 -2.06 0.00 0.00 179.45 178.79 3kqx h GLU 332 N 0.86 0.65 -0.64 3.15 3.07 -1.82 -2.23 114.58 117.61 3kqx h GLU 332 Ca 0.22 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3kqx h GLU 332 Cb 0.02 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3kqx h GLU 332 CO -0.04 0.77 0.42 -0.07 -1.40 0.00 0.00 179.01 178.70 3kqx h LEU 333 N 0.46 0.73 -0.49 1.33 3.38 -0.71 -1.52 115.31 118.49 3kqx h LEU 333 Ca 0.10 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3kqx h LEU 333 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kqx h LEU 333 CO 0.02 0.53 0.00 -0.33 0.09 0.00 0.00 178.44 178.75 3kqx h GLU 334 N 0.86 0.87 -0.55 1.13 5.08 -0.59 -1.84 114.58 119.53 3kqx h GLU 334 Ca 0.24 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3kqx h GLU 334 Cb -0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3kqx h GLU 334 CO -0.05 0.90 0.32 0.93 -1.00 0.00 0.00 179.01 180.11 3kqx h GLU 335 N 0.73 0.75 0.00 2.33 5.08 -0.81 -0.71 114.58 121.96 3kqx h GLU 335 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kqx h GLU 335 Cb 0.51 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kqx h GLU 335 CO 0.02 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 3kqx n LEU 336 N -4.41 0.00 -2.80 1.33 4.77 -0.63 -4.94 117.00 110.33 3kqx n LEU 336 Ca 0.05 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.95 3kqx n LEU 336 Cb 0.09 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3kqx n LEU 336 CO 0.37 -0.01 -0.10 0.29 -1.33 0.00 0.00 177.39 176.61 3kqx n LYS 337 N -1.13 -3.69 -1.75 3.23 4.76 -0.27 -4.71 118.16 114.59 3kqx n LYS 337 Ca 0.19 0.94 -0.42 0.00 -2.87 0.00 0.00 58.31 56.14 3kqx n LYS 337 Cb 0.16 -5.73 0.00 0.00 -1.84 0.00 0.00 35.03 27.62 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqx n MET 338 N -3.65 2.89 0.20 1.97 2.81 -0.97 -2.72 117.12 117.65 3kqx n MET 338 Ca -0.16 -2.64 0.06 0.00 -1.81 0.00 0.00 57.70 53.15 3kqx n MET 338 Cb 0.64 -3.27 0.41 0.00 -0.71 0.00 0.00 33.22 30.29 3kqx n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqx h GLY 339 N 9.90 0.00 0.75 3.03 0.00 -1.75 -1.87 103.07 113.13 3kqx h GLY 339 Ca 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.82 3kqx h GLY 339 CO 1.88 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 178.21 3kqx h ALA 340 N 1.66 0.21 -0.38 3.60 0.00 -1.84 -2.20 119.26 120.32 3kqx h ALA 340 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3kqx h ALA 340 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kqx h ALA 340 CO 0.04 0.15 -0.24 -0.92 0.00 0.00 0.00 179.25 178.29 3kqx h TYR 341 N -0.00 0.96 -0.06 0.00 3.20 -1.67 -3.09 116.97 116.31 3kqx h TYR 341 Ca 0.01 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.56 3kqx h TYR 341 Cb 0.77 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3kqx h TYR 341 CO 0.09 1.03 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.30 3kqx h LEU 342 N 0.63 0.10 -0.72 2.82 3.38 -1.38 -2.91 115.31 117.22 3kqx h LEU 342 Ca 0.08 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kqx h LEU 342 Cb 0.80 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3kqx h LEU 342 CO 0.07 0.38 0.22 0.28 0.09 0.00 0.00 178.44 179.48 3kqx h SER 343 N 0.09 1.06 -0.81 -0.43 0.02 -1.31 -2.51 113.55 109.66 3kqx h SER 343 Ca 0.01 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3kqx h SER 343 Cb 0.54 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3kqx h SER 343 CO 0.04 0.99 0.53 0.58 -1.14 0.00 0.00 176.83 177.82 3kqx h VAL 344 N 1.07 1.17 -0.00 2.27 2.07 -1.47 -2.88 116.25 118.48 3kqx h VAL 344 Ca 0.23 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kqx h VAL 344 Cb 0.31 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kqx h VAL 344 CO -0.01 0.19 -0.09 0.61 0.02 0.00 0.00 177.57 178.30 3kqx n GLY 345 N -1.32 -1.00 0.36 2.17 0.00 -1.08 -4.22 105.19 100.09 3kqx n GLY 345 Ca 0.09 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.45 0.89 -0.01 1.61 1.57 -1.22 -2.26 116.57 117.60 3kqx h LYS 346 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqx h LYS 346 Cb 0.33 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kqx h LYS 346 CO 0.00 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 179.88 3kqx n GLY 347 N -1.35 -0.75 3.86 3.86 0.00 -1.25 -4.54 105.19 105.02 3kqx n GLY 347 Ca 0.20 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.97 6.69 0.26 1.61 0.15 -0.85 -4.58 113.70 115.01 3kqx s SER 348 Ca 0.44 1.02 0.26 0.00 0.70 0.00 0.00 55.95 58.37 3kqx s SER 348 Cb 0.21 -2.27 0.82 0.00 -1.71 0.00 0.00 66.02 63.08 3kqx s SER 348 CO 0.35 -0.07 1.75 0.00 1.20 0.00 0.00 173.24 176.48 3kqx h MET 349 N 2.67 0.00 -5.40 5.44 -0.00 -1.90 -3.44 114.93 112.30 3kqx h MET 349 Ca -0.47 0.00 -0.61 0.00 -0.00 0.00 0.00 59.70 58.62 3kqx h MET 349 Cb 1.17 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.66 3kqx h MET 349 CO 0.68 0.00 -0.18 0.71 -0.00 0.00 0.00 176.91 178.12 3kqx s TYR 350 N -3.18 3.35 0.42 -0.10 1.51 -1.26 -4.90 117.35 113.18 3kqx s TYR 350 Ca 0.08 0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 56.50 3kqx s TYR 350 Cb 0.11 -2.56 -0.10 0.00 -0.11 0.00 0.00 41.96 39.30 3kqx s TYR 350 CO 0.56 -0.06 1.27 -2.30 -1.11 0.00 0.00 175.55 173.90 3kqx n PRO 351 N 4.68 1.94 -1.67 -1.71 -0.02 -1.26 -4.80 135.00 132.17 3kqx n PRO 351 Ca -0.08 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3kqx n PRO 351 Cb 0.51 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3kqx n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqx n ASN 352 N 0.23 2.38 -3.86 2.55 4.13 -1.26 -4.56 115.26 114.87 3kqx n ASN 352 Ca 0.06 1.19 -0.18 0.00 1.68 0.00 0.00 54.58 57.33 3kqx n ASN 352 Cb 0.39 -1.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.05 3kqx n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqx s LYS 353 N -1.55 0.57 -0.31 3.52 -0.14 -0.91 -4.06 119.74 116.86 3kqx s LYS 353 Ca 0.58 -0.02 -0.10 0.00 -1.36 0.00 0.00 55.97 55.07 3kqx s LYS 353 Cb -0.62 -0.66 -0.01 0.00 -1.68 0.00 0.00 37.83 34.86 3kqx s LYS 353 CO 0.60 -0.10 0.17 0.12 -0.76 0.00 0.00 175.35 175.37 3kqx s PHE 354 N 0.95 3.19 -0.06 3.18 2.19 -0.19 -1.47 117.98 125.76 3kqx s PHE 354 Ca -0.11 -0.43 -0.26 0.00 0.33 0.00 0.00 56.93 56.47 3kqx s PHE 354 Cb -0.14 -2.38 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 3kqx s PHE 354 CO -0.01 -0.41 0.79 0.42 1.83 0.00 0.00 175.22 177.85 3kqx s ILE 355 N 1.65 4.98 -0.27 3.12 1.01 0.07 -0.81 121.20 130.94 3kqx s ILE 355 Ca 0.05 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.31 3kqx s ILE 355 Cb -0.17 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.26 3kqx s ILE 355 CO 0.07 0.20 0.11 -2.28 0.00 0.00 0.00 174.94 173.04 3kqx s HIS 356 N 1.01 0.78 0.08 3.97 2.46 -0.62 -1.31 115.29 121.66 3kqx s HIS 356 Ca 0.42 -1.06 0.03 0.00 0.47 0.00 0.00 55.06 54.92 3kqx s HIS 356 Cb -0.19 -1.12 -0.04 0.00 -0.13 0.00 0.00 32.58 31.10 3kqx s HIS 356 CO 0.20 -0.78 0.07 -0.51 -2.47 0.00 0.00 174.74 171.25 3kqx s LEU 357 N 1.94 3.76 -0.06 8.88 1.02 0.37 -1.10 118.68 133.49 3kqx s LEU 357 Ca 0.07 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.21 3kqx s LEU 357 Cb -0.16 -2.44 0.02 0.00 0.02 0.00 0.00 46.19 43.62 3kqx s LEU 357 CO -0.27 0.18 -0.06 -0.89 0.02 0.00 0.00 176.35 175.32 3kqx s THR 358 N -1.37 0.72 -0.14 5.49 2.01 -0.15 0.27 115.64 122.45 3kqx s THR 358 Ca 0.29 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 3kqx s THR 358 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3kqx s THR 358 CO 0.21 0.27 0.08 -0.47 -0.69 0.00 0.00 174.62 174.03 3kqx s TYR 359 N 1.00 3.36 -0.05 4.92 5.04 0.11 -2.42 117.35 129.30 3kqx s TYR 359 Ca -0.09 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.79 3kqx s TYR 359 Cb -0.14 -1.98 0.03 0.00 0.35 0.00 0.00 41.96 40.21 3kqx s TYR 359 CO -0.00 0.42 0.02 0.21 -1.34 0.00 0.00 175.55 174.86 3kqx s LYS 360 N -0.34 0.30 0.60 4.97 2.20 -1.26 -1.21 119.74 125.00 3kqx s LYS 360 Ca 0.09 0.21 -0.19 0.00 -0.36 0.00 0.00 55.97 55.73 3kqx s LYS 360 Cb -0.12 -0.73 -0.05 0.00 -1.51 0.00 0.00 37.83 35.43 3kqx s LYS 360 CO 0.02 -0.29 1.02 0.43 -0.36 0.00 0.00 175.35 176.16 3kqx n SER 361 N 5.08 1.00 -0.29 1.43 7.64 -0.25 -4.94 113.62 123.28 3kqx n SER 361 Ca -0.08 0.82 -0.02 0.00 1.01 0.00 0.00 58.87 60.61 3kqx n SER 361 Cb 0.50 -1.41 0.16 0.00 -1.01 0.00 0.00 64.21 62.45 3kqx n SER 361 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3kqx h LYS 362 N 0.56 1.15 0.00 1.43 -0.00 -1.91 -3.46 116.57 114.35 3kqx h LYS 362 Ca -0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.07 3kqx h LYS 362 Cb 1.36 -0.25 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3kqx h LYS 362 CO 0.51 0.80 0.00 0.41 -0.00 0.00 0.00 179.45 181.17 3kqx n GLY 363 N -1.30 -0.42 3.79 0.07 0.00 -1.26 -4.97 105.19 101.09 3kqx n GLY 363 Ca 0.09 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 3kqx n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 364 N -1.29 7.12 -0.29 1.61 1.11 -1.26 -4.97 116.67 118.70 3kqx s ASP 364 Ca 0.00 1.81 -0.16 0.00 0.18 0.00 0.00 52.55 54.38 3kqx s ASP 364 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 3kqx s ASP 364 CO 0.00 -0.22 0.40 -0.69 1.18 0.00 0.00 175.17 175.84 3kqx s VAL 365 N -1.82 5.14 -0.11 -1.27 1.01 -1.26 -3.67 120.40 118.42 3kqx s VAL 365 Ca 0.55 0.50 0.20 0.00 0.00 0.00 0.00 61.98 63.23 3kqx s VAL 365 Cb -0.16 -3.76 -0.29 0.00 0.00 0.00 0.00 36.38 32.17 3kqx s VAL 365 CO 0.20 0.07 0.28 0.29 0.00 0.00 0.00 175.10 175.94 3kqx n LYS 366 N 5.41 0.69 -3.82 2.72 5.02 0.47 -4.94 118.16 123.71 3kqx n LYS 366 Ca -0.08 -0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 3kqx n LYS 366 Cb 0.50 -1.51 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 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 -3.02 -0.02 -0.14 1.97 2.47 -1.08 -5.05 119.74 114.87 3kqx s LYS 367 Ca -0.09 0.10 0.02 0.00 -1.56 0.00 0.00 55.97 54.44 3kqx s LYS 367 Cb 0.10 -0.13 0.01 0.00 -1.46 0.00 0.00 37.83 36.34 3kqx s LYS 367 CO 0.86 -0.09 -0.20 0.15 0.16 0.00 0.00 175.35 176.23 3kqx s LYS 368 N 0.57 3.07 -0.03 4.03 1.02 -1.26 -1.10 119.74 126.04 3kqx s LYS 368 Ca -0.05 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.16 3kqx s LYS 368 Cb -0.07 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3kqx s LYS 368 CO -0.02 0.00 -0.18 0.42 -0.92 0.00 0.00 175.35 174.65 3kqx s ILE 369 N 0.80 1.46 -0.15 2.17 1.01 -0.19 -0.15 121.20 126.15 3kqx s ILE 369 Ca -0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3kqx s ILE 369 Cb -0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 3kqx s ILE 369 CO -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 174.94 175.30 3kqx s ALA 370 N -0.26 2.97 -0.23 9.38 0.00 -0.33 -0.69 121.76 132.59 3kqx s ALA 370 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3kqx s ALA 370 Cb -0.09 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 3kqx s ALA 370 CO 0.00 0.23 -0.03 -0.51 0.00 0.00 0.00 175.76 175.45 3kqx s LEU 371 N 0.34 3.03 -0.20 0.00 1.43 -0.12 -0.79 118.68 122.37 3kqx s LEU 371 Ca -0.05 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3kqx s LEU 371 Cb -0.14 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3kqx s LEU 371 CO 0.03 -0.05 -0.10 -0.69 0.23 0.00 0.00 176.35 175.77 3kqx s VAL 372 N 1.46 2.91 -0.11 -1.59 1.01 -0.04 -1.25 120.40 122.80 3kqx s VAL 372 Ca 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3kqx s VAL 372 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kqx s VAL 372 CO -0.03 0.47 -0.06 -0.83 0.00 0.00 0.00 175.10 174.65 3kqx s GLY 373 N 1.30 1.69 0.16 4.51 0.00 -1.12 -0.63 107.32 113.24 3kqx s GLY 373 Ca 0.04 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 3kqx s GLY 373 CO -0.05 -0.39 1.38 1.25 0.00 0.00 0.00 173.10 175.29 3kqx s LYS 374 N -0.25 4.33 -0.49 2.90 2.20 -0.64 -4.17 119.74 123.62 3kqx s LYS 374 Ca 0.04 2.12 0.08 0.00 -0.36 0.00 0.00 55.97 57.85 3kqx s LYS 374 Cb -0.13 -3.20 0.35 0.00 -1.51 0.00 0.00 37.83 33.34 3kqx s LYS 374 CO 0.02 -0.39 0.86 0.41 -0.36 0.00 0.00 175.35 175.90 3kqx n GLY 375 N 2.96 4.76 3.56 5.54 0.00 -1.26 -0.94 105.19 119.81 3kqx n GLY 375 Ca 0.09 -2.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 -3.63 5.06 -0.31 -0.61 -1.09 -0.94 -1.69 121.20 117.98 3kqx s ILE 376 Ca 0.45 0.30 0.22 0.00 -2.23 0.00 0.00 60.65 59.39 3kqx s ILE 376 Cb 0.31 -3.91 0.14 0.00 -1.58 0.00 0.00 42.46 37.43 3kqx s ILE 376 CO -0.11 -0.15 1.30 0.71 -1.23 0.00 0.00 174.94 175.45 3kqx h THR 377 N 5.57 0.08 -2.50 2.92 1.35 -1.41 -0.88 112.91 118.05 3kqx h THR 377 Ca -0.29 -1.12 -0.09 0.00 -0.55 0.00 0.00 66.41 64.37 3kqx h THR 377 Cb 1.13 1.80 -0.25 0.00 -1.73 0.00 0.00 68.15 69.10 3kqx h THR 377 CO 0.74 0.04 -0.19 0.12 -0.25 0.00 0.00 175.52 175.99 3kqx s PHE 378 N -3.25 -0.67 -0.36 4.73 5.36 -1.26 -4.38 117.98 118.14 3kqx s PHE 378 Ca 0.03 1.46 -0.02 0.00 -0.96 0.00 0.00 56.93 57.43 3kqx s PHE 378 Cb 0.07 0.31 0.09 0.00 -0.34 0.00 0.00 43.02 43.15 3kqx s PHE 378 CO 0.74 -0.35 0.12 0.34 -1.46 0.00 0.00 175.22 174.60 3kqx s ASP 379 N 1.11 5.10 0.44 6.13 2.15 -1.18 -1.36 116.67 129.05 3kqx s ASP 379 Ca -0.07 -1.77 0.24 0.00 0.43 0.00 0.00 52.55 51.39 3kqx s ASP 379 Cb -0.06 -1.77 0.61 0.00 -0.30 0.00 0.00 42.92 41.39 3kqx s ASP 379 CO -0.10 -0.43 1.70 0.77 -0.17 0.00 0.00 175.17 176.94 3kqx h SER 380 N 8.00 0.00 0.00 -0.34 4.64 -1.54 -3.45 113.55 120.85 3kqx h SER 380 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3kqx h SER 380 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kqx h SER 380 CO 0.62 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3kqx n GLY 381 N 0.74 2.03 7.00 -0.77 0.00 -1.26 -1.36 105.19 111.57 3kqx n GLY 381 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.18 0.34 -0.02 0.00 -1.26 -2.26 105.19 100.17 3kqx n GLY 382 Ca 0.00 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 0.31 0.00 1.61 0.05 -1.82 -0.96 116.97 116.16 3kqx h TYR 383 Ca 0.00 0.01 -0.42 0.00 0.05 0.00 0.00 58.73 58.37 3kqx h TYR 383 Cb 0.00 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 37.65 3kqx h TYR 383 CO 0.00 0.15 2.62 0.09 -1.05 0.00 0.00 178.16 179.97 3kqx n ASN 384 N -4.46 5.69 -4.75 3.88 4.13 -1.22 -4.98 115.26 113.55 3kqx n ASN 384 Ca 0.08 -2.36 -0.39 0.00 1.68 0.00 0.00 54.58 53.59 3kqx n ASN 384 Cb 0.35 -1.19 0.04 0.00 -1.54 0.00 0.00 39.78 37.44 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqx s LEU 385 N 0.10 3.91 -1.07 3.41 2.96 -0.37 -4.54 118.68 123.09 3kqx s LEU 385 Ca 0.47 2.84 -0.22 0.00 -0.22 0.00 0.00 54.13 57.00 3kqx s LEU 385 Cb 0.13 -4.18 0.03 0.00 0.50 0.00 0.00 46.19 42.67 3kqx s LEU 385 CO -0.04 -1.51 1.62 -0.54 -1.32 0.00 0.00 176.35 174.56 3kqx s LYS 386 N -2.80 3.44 0.00 1.98 1.02 -0.47 -4.56 119.74 118.36 3kqx s LYS 386 Ca 0.69 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3kqx s LYS 386 Cb -0.42 -5.34 0.00 0.00 -0.52 0.00 0.00 37.83 31.55 3kqx s LYS 386 CO 0.51 -2.51 0.07 0.00 -0.92 0.00 0.00 175.35 172.51 3kqx n ALA 387 N 9.92 1.90 -1.79 5.17 0.00 -1.26 -4.64 120.51 129.81 3kqx n ALA 387 Ca 0.38 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 3kqx n ALA 387 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.76 3.04 0.06 0.00 0.00 -1.26 -4.96 121.76 117.87 3kqx s ALA 388 Ca 0.00 0.59 -0.37 0.00 0.00 0.00 0.00 51.96 52.17 3kqx s ALA 388 Cb 0.00 -3.23 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 3kqx s ALA 388 CO 0.00 -0.11 1.33 -2.30 0.00 0.00 0.00 175.76 174.68 3kqx n PRO 389 N -0.34 1.00 -0.53 0.00 -0.02 -1.26 -1.36 135.00 132.49 3kqx n PRO 389 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kqx n PRO 389 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.48 1.33 0.24 -1.23 0.00 -1.26 -4.93 105.19 101.82 3kqx n GLY 390 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -5.70 1.61 4.64 -1.58 -3.48 113.55 109.04 3kqx h SER 391 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3kqx h SER 391 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.25 3kqx h SER 391 CO 0.00 0.17 -0.78 0.23 -0.87 0.00 0.00 176.83 175.58 3kqx n MET 392 N -3.53 -6.17 0.26 4.77 2.81 -1.26 -4.87 117.12 109.14 3kqx n MET 392 Ca -0.01 0.82 0.13 0.00 -1.81 0.00 0.00 57.70 56.83 3kqx n MET 392 Cb 0.32 -5.77 0.72 0.00 -0.71 0.00 0.00 33.22 27.79 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 -1.86 0.49 0.00 2.02 2.10 -1.93 -0.32 117.51 118.02 3kqx h ILE 393 Ca -0.59 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 64.78 3kqx h ILE 393 Cb 1.34 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.45 3kqx h ILE 393 CO 0.51 0.11 0.00 -0.90 -1.08 0.00 0.00 178.15 176.79 3kqx n ASP 394 N -3.54 0.61 -0.22 2.19 5.75 -1.26 -2.18 116.55 117.89 3kqx n ASP 394 Ca -0.01 0.71 0.12 0.00 -0.01 0.00 0.00 54.79 55.60 3kqx n ASP 394 Cb 0.25 -0.82 0.21 0.00 -1.03 0.00 0.00 41.12 39.73 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 -2.24 1.13 0.00 -2.12 7.94 -0.13 -4.60 117.00 116.98 3kqx n LEU 395 Ca 0.00 -0.34 0.11 0.00 -1.11 0.00 0.00 56.01 54.66 3kqx n LEU 395 Cb 0.13 -0.11 0.56 0.00 0.53 0.00 0.00 43.42 44.53 3kqx n LEU 395 CO 0.14 0.23 0.84 0.23 -1.11 0.00 0.00 177.39 177.71 3kqx n MET 396 N -0.79 0.41 0.33 1.96 2.81 -0.93 -1.25 117.12 119.66 3kqx n MET 396 Ca 0.09 0.06 0.21 0.00 -1.81 0.00 0.00 57.70 56.25 3kqx n MET 396 Cb 0.37 -1.50 1.13 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 0.03 2.10 -1.81 -2.63 116.57 114.26 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 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 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 -3.24 0.00 1.93 0.07 -0.00 -0.38 -3.99 117.46 111.85 3kqx n PHE 398 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.56 3kqx n PHE 398 Cb 0.10 0.00 0.79 0.00 -0.00 0.00 0.00 39.48 40.36 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 -0.84 0.19 -1.74 5.98 2.03 -1.00 -1.57 116.55 119.59 3kqx n ASP 399 Ca 0.15 -1.18 -0.02 0.00 0.52 0.00 0.00 54.79 54.26 3kqx n ASP 399 Cb 0.07 -0.00 0.30 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.80 3.60 0.09 -0.67 0.00 -0.33 -2.23 117.12 116.78 3kqx n MET 400 Ca 0.21 -3.07 0.00 0.00 0.00 0.00 0.00 57.70 54.83 3kqx n MET 400 Cb 0.13 -2.13 0.31 0.00 0.00 0.00 0.00 33.22 31.52 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 2.56 0.29 -0.26 3.17 0.02 -1.45 -1.30 113.55 116.58 3kqx h SER 401 Ca 0.18 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 3kqx h SER 401 Cb 2.09 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.55 3kqx h SER 401 CO 0.60 0.52 -0.28 1.23 -1.14 0.00 0.00 176.83 177.76 3kqx h GLY 402 N 0.93 0.70 0.96 -3.77 0.00 -1.76 -0.59 103.07 99.54 3kqx h GLY 402 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.66 3kqx h GLY 402 CO 0.04 0.66 0.29 0.00 0.00 0.00 0.00 176.54 177.53 3kqx h ALA 404 N 1.18 0.96 -0.87 0.00 0.00 -1.11 -1.99 119.26 117.43 3kqx h ALA 404 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3kqx h ALA 404 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3kqx h ALA 404 CO -0.06 -0.01 0.48 0.00 0.00 0.00 0.00 179.25 179.66 3kqx h ALA 405 N 1.40 1.21 -0.39 0.00 0.00 -0.79 0.07 119.26 120.76 3kqx h ALA 405 Ca 0.34 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kqx h ALA 405 Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kqx h ALA 405 CO -0.24 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 179.88 3kqx h VAL 406 N 1.21 1.23 0.12 0.00 2.07 -1.17 -0.16 116.25 119.55 3kqx h VAL 406 Ca 0.31 -0.99 -0.27 0.00 0.82 0.00 0.00 66.70 66.57 3kqx h VAL 406 Cb 0.02 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kqx h VAL 406 CO -0.05 0.34 -1.27 -0.07 0.02 0.00 0.00 177.57 176.54 3kqx h LEU 407 N 0.60 0.38 -1.13 2.57 3.38 -0.98 -1.32 115.31 118.81 3kqx h LEU 407 Ca 0.12 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kqx h LEU 407 Cb 0.46 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3kqx h LEU 407 CO 0.02 1.34 0.58 1.23 0.09 0.00 0.00 178.44 181.70 3kqx h GLY 408 N 1.73 1.24 0.95 0.83 0.00 -0.86 -1.50 103.07 105.45 3kqx h GLY 408 Ca -0.14 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3kqx h GLY 408 CO 0.19 0.45 -0.03 0.00 0.00 0.00 0.00 176.54 177.16 3kqx h ALA 410 N 0.87 1.60 0.01 0.00 0.00 -0.83 0.16 119.26 121.06 3kqx h ALA 410 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kqx h ALA 410 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kqx h ALA 410 CO 0.03 0.14 -0.06 -0.92 0.00 0.00 0.00 179.25 178.43 3kqx h TYR 411 N 0.91 -0.15 -0.31 0.00 3.20 -0.86 0.31 116.97 120.07 3kqx h TYR 411 Ca 0.50 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.35 3kqx h TYR 411 Cb 0.59 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3kqx h TYR 411 CO -0.00 -0.09 0.11 0.00 -1.64 0.00 0.00 178.16 176.53 3kqx h VAL 413 N 0.35 1.03 -0.07 0.00 2.07 -0.66 0.17 116.25 119.15 3kqx h VAL 413 Ca 0.10 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kqx h VAL 413 Cb 0.23 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kqx h VAL 413 CO -0.01 0.07 0.07 1.23 0.02 0.00 0.00 177.57 178.96 3kqx h GLY 414 N -0.21 0.00 0.25 2.17 0.00 -0.26 0.14 103.07 105.15 3kqx h GLY 414 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3kqx h GLY 414 CO 0.01 0.00 -1.22 -0.84 0.00 0.00 0.00 176.54 174.50 3kqx h THR 415 N 0.00 1.04 0.00 4.70 2.02 -0.80 -3.38 112.91 116.49 3kqx h THR 415 Ca 0.04 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.92 3kqx h THR 415 Cb 0.17 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3kqx h THR 415 CO -0.00 0.54 -0.51 -0.07 0.37 0.00 0.00 175.52 175.85 3kqx h LEU 416 N -0.66 0.00 -2.50 2.58 3.38 -0.61 -3.49 115.31 114.01 3kqx h LEU 416 Ca -0.30 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 3kqx h LEU 416 Cb 1.49 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.41 3kqx h LEU 416 CO -0.06 0.02 -0.73 0.29 0.09 0.00 0.00 178.44 178.04 3kqx n LYS 417 N -2.69 -2.05 -1.97 1.13 5.02 0.47 -4.94 118.16 113.12 3kqx n LYS 417 Ca 0.02 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 3kqx n LYS 417 Cb 0.51 -5.22 0.04 0.00 -0.02 0.00 0.00 35.03 30.34 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 -4.22 2.94 0.50 1.97 0.04 -1.26 -5.02 135.00 129.95 3kqx s PRO 418 Ca 0.38 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 3kqx s PRO 418 Cb -0.05 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3kqx s PRO 418 CO 0.63 -1.21 0.85 -1.21 0.04 0.00 0.00 177.00 176.10 3kqx s GLU 419 N -3.46 3.61 -1.25 4.56 2.02 -1.26 -4.59 118.70 118.34 3kqx s GLU 419 Ca 0.75 0.40 0.00 0.00 0.02 0.00 0.00 54.97 56.14 3kqx s GLU 419 Cb -0.28 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3kqx s GLU 419 CO 0.34 -0.26 0.00 0.09 0.02 0.00 0.00 175.26 175.45 3kqx n ASN 420 N -2.18 -4.60 -4.16 -0.19 3.02 -1.24 -4.98 115.26 100.93 3kqx n ASN 420 Ca 0.02 0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 54.74 3kqx n ASN 420 Cb 0.55 -3.14 -0.11 0.00 -0.61 0.00 0.00 39.78 36.47 3kqx n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqx s VAL 421 N -2.37 0.78 -0.10 2.41 -7.23 -1.26 -0.40 120.40 112.22 3kqx s VAL 421 Ca 0.00 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3kqx s VAL 421 Cb 0.00 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.58 3kqx s VAL 421 CO 0.00 -0.67 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.36 3kqx s GLU 422 N -3.06 1.39 -0.13 4.82 2.12 -0.25 -1.10 118.70 122.49 3kqx s GLU 422 Ca 0.06 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.19 3kqx s GLU 422 Cb -0.00 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.91 3kqx s GLU 422 CO -0.02 -0.25 -0.17 0.42 -0.54 0.00 0.00 175.26 174.71 3kqx s ILE 423 N 1.65 2.66 -0.21 -3.70 -1.09 -0.35 -1.02 121.20 119.15 3kqx s ILE 423 Ca 0.03 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 3kqx s ILE 423 Cb -0.13 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 3kqx s ILE 423 CO -0.07 0.53 0.08 -1.00 -1.23 0.00 0.00 174.94 173.25 3kqx s HIS 424 N 0.50 3.22 -0.29 3.97 3.76 0.13 -0.71 115.29 125.87 3kqx s HIS 424 Ca -0.11 -0.00 -0.05 0.00 -0.15 0.00 0.00 55.06 54.74 3kqx s HIS 424 Cb -0.16 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.40 3kqx s HIS 424 CO 0.05 0.03 0.04 -0.06 -0.85 0.00 0.00 174.74 173.95 3kqx s PHE 425 N 0.74 3.14 0.29 1.40 0.08 0.14 -0.95 117.98 122.83 3kqx s PHE 425 Ca 0.04 -1.23 0.12 0.00 0.12 0.00 0.00 56.93 55.97 3kqx s PHE 425 Cb -0.13 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3kqx s PHE 425 CO 0.02 -0.65 -0.17 -0.51 -0.10 0.00 0.00 175.22 173.81 3kqx s LEU 426 N 1.43 2.65 -0.30 -0.37 1.43 -0.38 -0.48 118.68 122.66 3kqx s LEU 426 Ca 0.01 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 51.93 3kqx s LEU 426 Cb -0.17 -1.14 0.17 0.00 0.03 0.00 0.00 46.19 45.08 3kqx s LEU 426 CO 0.00 0.01 1.08 -0.55 0.23 0.00 0.00 176.35 177.12 3kqx s SER 427 N -3.53 -0.42 -0.92 2.29 0.15 -0.43 -2.79 113.70 108.06 3kqx s SER 427 Ca 0.30 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 3kqx s SER 427 Cb -0.04 1.44 0.07 0.00 -1.71 0.00 0.00 66.02 65.78 3kqx s SER 427 CO 0.16 -0.08 1.28 0.00 1.20 0.00 0.00 173.24 175.79 3kqx s ALA 428 N 2.20 2.95 -0.09 5.45 0.00 -1.26 -0.75 121.76 130.25 3kqx s ALA 428 Ca -0.02 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.50 3kqx s ALA 428 Cb -0.04 -4.28 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 3kqx s ALA 428 CO -0.17 -3.30 0.55 0.08 0.00 0.00 0.00 175.76 172.93 3kqx s VAL 429 N 4.33 5.12 0.31 0.00 1.01 -0.54 -4.00 120.40 126.62 3kqx s VAL 429 Ca 0.38 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 3kqx s VAL 429 Cb -0.04 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.49 3kqx s VAL 429 CO -0.04 0.32 0.59 0.00 0.00 0.00 0.00 175.10 175.97 3kqx s GLU 431 N -2.17 1.23 -0.48 0.00 2.12 -1.26 -1.13 118.70 117.01 3kqx s GLU 431 Ca 0.15 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.91 3kqx s GLU 431 Cb -0.03 -1.13 0.10 0.00 0.26 0.00 0.00 34.13 33.33 3kqx s GLU 431 CO 0.11 0.20 0.37 1.21 -0.54 0.00 0.00 175.26 176.61 3kqx s ASN 432 N -0.00 5.90 0.31 -1.70 2.47 -0.47 -4.43 114.94 117.02 3kqx s ASN 432 Ca -0.01 -1.66 0.04 0.00 0.42 0.00 0.00 52.86 51.65 3kqx s ASN 432 Cb -0.08 -2.09 -0.06 0.00 -1.45 0.00 0.00 41.25 37.56 3kqx s ASN 432 CO 0.01 -0.69 0.04 -0.04 -3.72 0.00 0.00 177.10 172.70 3kqx s MET 433 N 1.49 1.62 -0.17 0.43 -1.94 -1.26 -1.23 119.30 118.24 3kqx s MET 433 Ca 0.04 -1.89 -0.04 0.00 -1.71 0.00 0.00 55.69 52.09 3kqx s MET 433 Cb -0.26 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.66 3kqx s MET 433 CO 0.02 -0.15 -0.03 0.08 -0.01 0.00 0.00 175.02 174.93 3kqx s VAL 434 N -3.26 3.87 0.17 -6.03 1.01 -1.26 -4.57 120.40 110.32 3kqx s VAL 434 Ca 0.35 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 3kqx s VAL 434 Cb 0.08 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.81 3kqx s VAL 434 CO 0.15 0.47 0.73 -0.55 0.00 0.00 0.00 175.10 175.90 3kqx s SER 435 N 0.60 -0.39 0.56 3.32 0.15 -1.26 -4.97 113.70 111.69 3kqx s SER 435 Ca -0.02 -0.23 0.27 0.00 0.70 0.00 0.00 55.95 56.66 3kqx s SER 435 Cb -0.14 0.59 1.62 0.00 -1.71 0.00 0.00 66.02 66.37 3kqx s SER 435 CO 0.02 -1.01 2.18 0.07 1.20 0.00 0.00 173.24 175.70 3kqx h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -3.01 116.57 121.11 3kqx h LYS 436 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kqx h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kqx h LYS 436 CO 0.31 0.05 -0.26 0.09 -2.00 0.00 0.00 179.45 177.63 3kqx n ASN 437 N -3.88 1.08 -4.74 7.07 3.02 -1.26 -4.99 115.26 111.55 3kqx n ASN 437 Ca -0.03 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.24 3kqx n ASN 437 Cb 0.14 0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.49 4.90 0.75 6.41 0.01 -1.14 -3.78 113.70 118.36 3kqx s SER 438 Ca 0.24 2.40 -0.13 0.00 1.31 0.00 0.00 55.95 59.77 3kqx s SER 438 Cb 0.19 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.87 3kqx s SER 438 CO 0.52 -1.79 1.14 -0.72 0.41 0.00 0.00 173.24 172.80 3kqx s TYR 439 N -1.67 2.28 0.17 2.43 1.13 -1.26 -4.89 117.35 115.54 3kqx s TYR 439 Ca 0.77 1.61 0.11 0.00 -1.41 0.00 0.00 57.07 58.15 3kqx s TYR 439 Cb -0.31 -3.25 -0.04 0.00 -1.10 0.00 0.00 41.96 37.26 3kqx s TYR 439 CO 0.37 -2.16 -0.22 1.03 -2.51 0.00 0.00 175.55 172.06 3kqx s ARG 440 N -4.34 1.59 0.20 -3.49 0.52 -1.26 -4.63 118.95 107.54 3kqx s ARG 440 Ca 0.67 -1.41 -0.32 0.00 -0.52 0.00 0.00 55.73 54.15 3kqx s ARG 440 Cb -0.22 -1.93 -0.15 0.00 0.52 0.00 0.00 34.95 33.17 3kqx s ARG 440 CO 0.49 0.43 1.28 -2.30 0.02 0.00 0.00 175.30 175.21 3kqx n PRO 441 N 0.46 1.56 0.00 3.54 -0.02 -1.26 -1.53 135.00 137.74 3kqx n PRO 441 Ca -0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kqx n PRO 441 Cb 0.55 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.11 2.71 3.66 -1.23 0.00 0.40 -5.01 105.19 107.84 3kqx n GLY 442 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.41 -4.56 1.61 9.92 -0.59 -4.51 116.55 120.83 3kqx n ASP 443 Ca 0.00 1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 55.08 3kqx n ASP 443 Cb 0.00 -1.42 -0.11 0.00 -0.64 0.00 0.00 41.12 38.95 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 -0.79 4.83 0.17 0.53 1.01 -1.26 -0.88 121.20 124.81 3kqx s ILE 444 Ca 0.60 -0.00 0.09 0.00 0.00 0.00 0.00 60.65 61.34 3kqx s ILE 444 Cb -0.63 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3kqx s ILE 444 CO 0.58 0.35 -0.20 0.27 0.00 0.00 0.00 174.94 175.94 3kqx s ILE 445 N 1.24 1.98 -0.19 2.92 -4.36 -0.46 -4.93 121.20 117.39 3kqx s ILE 445 Ca 0.06 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3kqx s ILE 445 Cb -0.14 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 41.66 3kqx s ILE 445 CO 0.05 -0.23 -0.12 -0.89 0.24 0.00 0.00 174.94 173.99 3kqx s THR 446 N -1.85 2.78 0.90 8.37 2.01 -1.26 -0.38 115.64 126.21 3kqx s THR 446 Ca 0.17 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 3kqx s THR 446 Cb -0.07 -2.22 0.13 0.00 0.01 0.00 0.00 72.50 70.35 3kqx s THR 446 CO 0.07 0.48 1.13 0.00 -0.69 0.00 0.00 174.62 175.62 3kqx s ALA 447 N 1.29 1.83 -0.43 7.40 0.00 -0.40 -2.40 121.76 129.05 3kqx s ALA 447 Ca 0.04 -0.49 0.23 0.00 0.00 0.00 0.00 51.96 51.74 3kqx s ALA 447 Cb -0.14 -3.04 1.02 0.00 0.00 0.00 0.00 23.12 20.96 3kqx s ALA 447 CO -0.06 -2.22 1.71 -1.13 0.00 0.00 0.00 175.76 174.06 3kqx n SER 448 N -3.72 0.66 -1.22 0.00 3.41 -1.10 -1.19 113.62 110.45 3kqx n SER 448 Ca 0.07 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.43 3kqx n SER 448 Cb 0.59 -0.82 0.26 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.25 3.57 0.00 4.04 6.94 -1.26 -4.94 115.26 121.35 3kqx n ASN 449 Ca 0.02 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.28 3kqx n ASN 449 Cb 0.20 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 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 0.96 1.83 3.73 4.83 0.00 -0.33 -5.04 105.19 111.17 3kqx n GLY 450 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.36 4.52 0.18 1.61 1.02 -1.26 -4.76 119.74 120.69 3kqx s LYS 451 Ca 0.00 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.59 3kqx s LYS 451 Cb 0.00 -3.32 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 3kqx s LYS 451 CO 0.00 -0.08 0.55 0.95 -0.92 0.00 0.00 175.35 175.84 3kqx s THR 452 N 0.41 4.90 -0.06 2.17 -4.23 -1.26 -1.27 115.64 116.29 3kqx s THR 452 Ca 0.54 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3kqx s THR 452 Cb -0.29 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.90 3kqx s THR 452 CO 0.32 0.10 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.84 3kqx s ILE 453 N -1.63 0.54 -0.32 2.99 1.01 0.49 -2.21 121.20 122.08 3kqx s ILE 453 Ca 0.42 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3kqx s ILE 453 Cb -0.13 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3kqx s ILE 453 CO 0.20 0.26 0.76 -0.70 0.00 0.00 0.00 174.94 175.46 3kqx s GLU 454 N 1.39 3.91 -0.26 2.79 2.12 -0.18 -1.36 118.70 127.12 3kqx s GLU 454 Ca -0.03 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 3kqx s GLU 454 Cb -0.13 -3.74 0.01 0.00 0.26 0.00 0.00 34.13 30.52 3kqx s GLU 454 CO -0.03 -0.70 1.12 0.08 -0.54 0.00 0.00 175.26 175.19 3kqx s VAL 455 N 2.93 4.50 -0.62 3.70 1.01 -0.06 -1.80 120.40 130.07 3kqx s VAL 455 Ca 0.31 1.77 0.19 0.00 0.00 0.00 0.00 61.98 64.25 3kqx s VAL 455 Cb -0.14 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 3kqx s VAL 455 CO 0.13 -0.31 0.69 0.61 0.00 0.00 0.00 175.10 176.22 3kqx n GLY 456 N 3.67 -0.83 3.53 4.51 0.00 -1.26 0.15 105.19 114.97 3kqx n GLY 456 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kqx n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqx s ASN 457 N -3.27 -1.01 0.00 1.61 3.84 -1.26 -4.72 114.94 110.14 3kqx s ASN 457 Ca 0.03 1.29 0.20 0.00 0.21 0.00 0.00 52.86 54.58 3kqx s ASN 457 Cb 0.14 2.11 0.85 0.00 -0.55 0.00 0.00 41.25 43.80 3kqx s ASN 457 CO 0.79 -0.19 1.63 0.35 -2.79 0.00 0.00 177.10 176.89 3kqx n THR 458 N 5.33 0.64 0.62 -5.21 -2.24 -1.26 -1.28 114.28 110.88 3kqx n THR 458 Ca -0.10 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 3kqx n THR 458 Cb 0.50 -0.82 0.26 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.49 2.52 -2.99 3.42 2.03 -0.96 -3.69 116.55 115.39 3kqx n ASP 459 Ca 0.05 -1.93 -0.37 0.00 0.52 0.00 0.00 54.79 53.06 3kqx n ASP 459 Cb 0.22 -0.26 0.02 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.87 6.07 0.08 -1.67 0.00 -0.40 -4.70 120.51 120.75 3kqx n ALA 460 Ca 0.17 -4.29 -0.02 0.00 0.00 0.00 0.00 53.44 49.29 3kqx n ALA 460 Cb 0.42 -1.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 3.17 0.00 -0.62 0.00 9.09 -1.79 -3.35 114.58 121.09 3kqx h GLU 461 Ca 0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.85 3kqx h GLU 461 Cb 0.27 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.34 3kqx h GLU 461 CO 1.24 0.66 0.18 0.78 0.05 0.00 0.00 179.01 181.93 3kqx h GLY 462 N 3.34 1.04 2.00 1.06 0.00 -1.92 -1.97 103.07 106.62 3kqx h GLY 462 Ca -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 3kqx h GLY 462 CO 0.09 0.58 -0.16 0.07 0.00 0.00 0.00 176.54 177.12 3kqx h ARG 463 N 0.89 0.00 -0.15 4.80 0.11 -1.95 -0.34 114.38 117.74 3kqx h ARG 463 Ca 0.20 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.19 3kqx h ARG 463 Cb 0.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 3kqx h ARG 463 CO -0.00 0.16 -0.25 -0.07 0.10 0.00 0.00 179.97 179.91 3kqx h LEU 464 N 0.00 0.47 -0.74 0.08 3.38 -1.54 -0.45 115.31 116.52 3kqx h LEU 464 Ca -0.00 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.30 3kqx h LEU 464 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kqx h LEU 464 CO 0.02 0.92 -0.53 0.71 0.09 0.00 0.00 178.44 179.65 3kqx h THR 465 N 0.04 1.36 -0.16 0.22 1.35 -1.03 -2.81 112.91 111.87 3kqx h THR 465 Ca 0.01 -1.81 -0.10 0.00 -0.55 0.00 0.00 66.41 63.96 3kqx h THR 465 Cb 0.83 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3kqx h THR 465 CO 0.06 0.54 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.44 3kqx h LEU 466 N 0.21 0.36 -0.37 3.87 3.38 -1.07 -2.36 115.31 119.33 3kqx h LEU 466 Ca 0.00 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kqx h LEU 466 Cb 1.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3kqx h LEU 466 CO 0.08 0.69 0.16 0.00 0.09 0.00 0.00 178.44 179.46 3kqx h ALA 467 N 1.33 0.44 0.03 1.53 0.00 -0.80 0.77 119.26 122.56 3kqx h ALA 467 Ca 0.03 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3kqx h ALA 467 Cb 0.77 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kqx h ALA 467 CO 0.06 -0.22 -0.99 -0.44 0.00 0.00 0.00 179.25 177.66 3kqx h ASP 468 N 0.33 0.37 -0.27 0.00 3.32 -1.51 -2.54 116.42 116.11 3kqx h ASP 468 Ca 0.16 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3kqx h ASP 468 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3kqx h ASP 468 CO -0.14 1.15 0.13 0.00 -1.72 0.00 0.00 179.24 178.66 3kqx h ALA 469 N 0.81 1.61 -0.21 3.45 0.00 -1.05 -1.42 119.26 122.46 3kqx h ALA 469 Ca -0.07 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3kqx h ALA 469 Cb 1.65 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.30 3kqx h ALA 469 CO 0.16 0.31 -0.67 -0.07 0.00 0.00 0.00 179.25 178.98 3kqx h LEU 470 N 0.46 0.95 -0.48 0.00 3.38 -0.67 -0.12 115.31 118.83 3kqx h LEU 470 Ca 0.11 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kqx h LEU 470 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kqx h LEU 470 CO -0.01 1.38 0.31 0.58 0.09 0.00 0.00 178.44 180.78 3kqx h VAL 471 N 0.58 1.13 -0.44 1.22 2.07 -1.35 -0.47 116.25 119.00 3kqx h VAL 471 Ca -0.02 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3kqx h VAL 471 Cb 1.29 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3kqx h VAL 471 CO 0.14 0.13 0.20 0.22 0.02 0.00 0.00 177.57 178.28 3kqx h TYR 472 N 0.64 0.37 -0.67 1.57 3.20 -1.11 -2.22 116.97 118.76 3kqx h TYR 472 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3kqx h TYR 472 Cb -0.05 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3kqx h TYR 472 CO -0.04 0.18 0.26 0.00 -1.64 0.00 0.00 178.16 176.92 3kqx h ALA 473 N 1.25 1.19 -0.32 1.82 0.00 -0.73 -3.02 119.26 119.46 3kqx h ALA 473 Ca 0.19 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3kqx h ALA 473 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kqx h ALA 473 CO -0.15 0.58 -0.46 1.49 0.00 0.00 0.00 179.25 180.70 3kqx h GLU 474 N 0.97 0.85 0.00 0.00 4.81 -0.83 -2.23 114.58 118.15 3kqx h GLU 474 Ca 0.23 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kqx h GLU 474 Cb 0.20 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kqx h GLU 474 CO -0.02 1.13 0.00 0.87 -0.73 0.00 0.00 179.01 180.26 3kqx h LYS 475 N 0.67 0.00 0.00 1.92 1.57 -1.32 -1.74 116.57 117.67 3kqx h LYS 475 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kqx h LYS 475 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3kqx h LYS 475 CO 0.11 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 3kqx n LEU 476 N -2.63 0.56 -2.40 2.94 4.77 -0.84 -4.96 117.00 114.44 3kqx n LEU 476 Ca -0.01 0.65 -0.09 0.00 -0.03 0.00 0.00 56.01 56.53 3kqx n LEU 476 Cb 0.11 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3kqx n LEU 476 CO 0.17 -0.56 0.04 0.61 -1.33 0.00 0.00 177.39 176.31 3kqx n GLY 477 N -0.17 -0.12 3.88 -0.72 0.00 -0.65 -5.05 105.19 102.36 3kqx n GLY 477 Ca 0.02 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3kqx n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s VAL 478 N -3.21 3.68 -0.05 1.61 0.11 -1.26 -4.97 120.40 116.32 3kqx s VAL 478 Ca 0.13 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.88 3kqx s VAL 478 Cb -0.02 -3.24 -0.26 0.00 -1.53 0.00 0.00 36.38 31.33 3kqx s VAL 478 CO 0.40 -0.17 0.66 0.44 -3.33 0.00 0.00 175.10 173.10 3kqx h ASP 479 N 1.18 0.33 -4.11 3.54 3.32 -0.94 -3.47 116.42 116.27 3kqx h ASP 479 Ca -0.45 -0.58 -0.36 0.00 0.02 0.00 0.00 57.03 55.66 3kqx h ASP 479 Cb 1.25 -0.11 -0.27 0.00 0.22 0.00 0.00 39.33 40.42 3kqx h ASP 479 CO 0.57 1.50 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.52 3kqx s TYR 480 N -2.59 0.70 -0.12 4.55 2.02 -1.16 -3.99 117.35 116.76 3kqx s TYR 480 Ca -0.13 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 3kqx s TYR 480 Cb 0.07 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3kqx s TYR 480 CO 0.82 -0.02 -0.23 0.42 -1.57 0.00 0.00 175.55 174.98 3kqx s ILE 481 N -0.39 2.03 -0.16 2.71 1.01 -0.29 -1.19 121.20 124.93 3kqx s ILE 481 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.68 3kqx s ILE 481 Cb -0.04 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.69 3kqx s ILE 481 CO -0.00 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 174.71 3kqx s VAL 482 N 0.60 1.28 0.11 2.92 1.01 0.03 -1.58 120.40 124.78 3kqx s VAL 482 Ca -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3kqx s VAL 482 Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kqx s VAL 482 CO 0.03 0.25 0.27 1.51 0.00 0.00 0.00 175.10 177.16 3kqx s ASP 483 N 1.58 6.36 -0.04 3.32 1.47 -0.72 -0.86 116.67 127.78 3kqx s ASP 483 Ca 0.02 0.27 0.00 0.00 1.18 0.00 0.00 52.55 54.02 3kqx s ASP 483 Cb -0.14 -1.96 0.03 0.00 -0.34 0.00 0.00 42.92 40.51 3kqx s ASP 483 CO -0.08 0.10 -0.01 -0.51 0.68 0.00 0.00 175.17 175.34 3kqx s ILE 484 N -1.64 0.26 -0.19 2.11 2.07 0.19 -0.64 121.20 123.35 3kqx s ILE 484 Ca 0.36 0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 59.45 3kqx s ILE 484 Cb -0.12 -0.35 0.06 0.00 0.13 0.00 0.00 42.46 42.18 3kqx s ILE 484 CO 0.28 0.17 0.58 0.00 -1.91 0.00 0.00 174.94 174.07 3kqx s ALA 485 N 1.15 -1.44 -1.34 1.50 0.00 -0.58 -1.62 121.76 119.43 3kqx s ALA 485 Ca -0.08 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3kqx s ALA 485 Cb -0.13 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.25 3kqx s ALA 485 CO -0.02 -0.28 1.87 0.25 0.00 0.00 0.00 175.76 177.58 3kqx n THR 486 N 2.51 3.85 -0.12 0.00 -2.24 -1.26 -0.81 114.28 116.22 3kqx n THR 486 Ca -0.15 -3.86 -0.25 0.00 -2.27 0.00 0.00 64.05 57.53 3kqx n THR 486 Cb 0.56 -2.44 -0.11 0.00 -2.10 0.00 0.00 70.33 66.24 3kqx n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqx n LEU 487 N 7.09 2.13 -3.98 3.22 7.94 -1.26 -4.68 117.00 127.46 3kqx n LEU 487 Ca 0.48 0.28 -0.24 0.00 -1.11 0.00 0.00 56.01 55.42 3kqx n LEU 487 Cb 0.43 -0.90 -0.17 0.00 0.53 0.00 0.00 43.42 43.32 3kqx n LEU 487 CO 0.80 0.57 -0.45 0.42 -1.11 0.00 0.00 177.39 177.62 3kqx s THR 488 N -2.48 1.00 0.54 1.96 -4.23 -1.26 -4.98 115.64 106.19 3kqx s THR 488 Ca -0.34 -0.37 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 3kqx s THR 488 Cb 0.11 -0.95 0.36 0.00 1.34 0.00 0.00 72.50 73.36 3kqx s THR 488 CO 0.56 0.33 2.05 1.23 -0.54 0.00 0.00 174.62 178.25 3kqx h GLY 489 N 7.24 0.00 1.04 3.99 0.00 -1.94 -2.24 103.07 111.17 3kqx h GLY 489 Ca -0.32 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.09 3kqx h GLY 489 CO 0.46 0.00 0.41 0.00 0.00 0.00 0.00 176.54 177.40 3kqx h ALA 490 N 1.80 1.84 0.00 3.60 0.00 -1.97 -2.01 119.26 122.52 3kqx h ALA 490 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kqx h ALA 490 Cb 0.70 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kqx h ALA 490 CO -0.00 -0.54 -0.02 0.52 0.00 0.00 0.00 179.25 179.21 3kqx h MET 491 N 0.00 0.00 0.00 0.00 2.86 -1.79 -1.21 114.93 114.78 3kqx h MET 491 Ca 0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3kqx h MET 491 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3kqx h MET 491 CO -0.00 0.02 -0.23 -0.07 1.06 0.00 0.00 176.91 177.68 3kqx h LEU 492 N 0.00 0.00 0.00 1.22 3.38 -1.59 -0.51 115.31 117.81 3kqx h LEU 492 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqx h LEU 492 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kqx h LEU 492 CO 0.00 0.23 -0.67 -1.22 0.09 0.00 0.00 178.44 176.88 3kqx n TYR 493 N -3.75 0.48 -0.07 1.13 4.02 -0.48 -3.45 117.16 115.05 3kqx n TYR 493 Ca -0.01 0.14 -0.08 0.00 -0.01 0.00 0.00 57.90 57.94 3kqx n TYR 493 Cb 0.34 -0.60 -0.03 0.00 -0.02 0.00 0.00 39.34 39.03 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 -2.05 1.81 -0.01 7.72 3.41 -1.00 -4.83 113.62 118.67 3kqx n SER 494 Ca 0.03 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 59.02 3kqx n SER 494 Cb 0.43 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 3kqx n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 495 N -4.31 0.06 0.00 1.04 4.77 -0.69 -5.11 117.00 112.77 3kqx n LEU 495 Ca -0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3kqx n LEU 495 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kqx n LEU 495 CO 0.18 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3kqx n GLY 496 N 1.57 -0.28 0.36 -0.72 0.00 -0.29 -4.29 105.19 101.55 3kqx n GLY 496 Ca -0.02 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.11 2.61 -2.24 -1.26 -4.31 114.28 108.97 3kqx n THR 497 Ca 0.00 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3kqx n THR 497 Cb 0.00 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 3kqx n THR 497 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kqx n SER 498 N -0.34 2.23 -4.41 3.42 2.88 -1.26 -4.23 113.62 111.91 3kqx n SER 498 Ca 0.12 -0.06 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 3kqx n SER 498 Cb 0.39 -0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 63.33 3kqx n SER 498 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kqx s TYR 499 N -2.43 2.80 0.68 0.66 4.12 -1.26 -4.63 117.35 117.29 3kqx s TYR 499 Ca -0.29 -0.48 -0.11 0.00 0.02 0.00 0.00 57.07 56.20 3kqx s TYR 499 Cb 0.08 -1.79 -0.00 0.00 -1.52 0.00 0.00 41.96 38.73 3kqx s TYR 499 CO 0.48 -0.08 1.07 0.00 0.02 0.00 0.00 175.55 177.04 3kqx s ALA 500 N 0.04 2.91 -0.12 3.71 0.00 -0.95 -4.61 121.76 122.75 3kqx s ALA 500 Ca -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3kqx s ALA 500 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3kqx s ALA 500 CO 0.04 -1.03 -0.02 0.20 0.00 0.00 0.00 175.76 174.96 3kqx s GLY 501 N -4.24 1.79 -0.12 0.00 0.00 -1.09 -1.14 107.32 102.52 3kqx s GLY 501 Ca 0.57 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 3kqx s GLY 501 CO 0.53 -0.35 -0.09 0.54 0.00 0.00 0.00 173.10 173.73 3kqx s VAL 502 N -0.34 3.46 0.12 1.40 0.11 -0.39 -0.71 120.40 124.05 3kqx s VAL 502 Ca 0.06 -0.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.67 3kqx s VAL 502 Cb -0.12 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 3kqx s VAL 502 CO 0.02 0.53 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.75 3kqx s PHE 503 N 0.10 1.82 0.16 1.54 0.08 -0.30 -0.86 117.98 120.52 3kqx s PHE 503 Ca -0.03 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 3kqx s PHE 503 Cb -0.14 -0.98 0.08 0.00 -0.57 0.00 0.00 43.02 41.40 3kqx s PHE 503 CO 0.04 0.24 1.03 0.20 -0.10 0.00 0.00 175.22 176.63 3kqx s GLY 504 N -2.07 -0.05 -0.06 4.36 0.00 -1.26 0.31 107.32 108.54 3kqx s GLY 504 Ca 0.09 -0.09 0.13 0.00 0.00 0.00 0.00 44.72 44.85 3kqx s GLY 504 CO 0.05 1.42 1.35 1.16 0.00 0.00 0.00 173.10 177.07 3kqx n ASN 505 N -0.90 3.40 -3.37 1.64 0.23 -0.35 -4.83 115.26 111.09 3kqx n ASN 505 Ca -0.04 -2.34 -0.00 0.00 -0.53 0.00 0.00 54.58 51.67 3kqx n ASN 505 Cb 0.60 -0.36 -0.03 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 -1.26 -1.04 0.33 0.53 3.84 -1.26 -4.87 114.94 111.21 3kqx s ASN 506 Ca 0.32 1.03 0.12 0.00 0.21 0.00 0.00 52.86 54.54 3kqx s ASN 506 Cb 0.21 2.02 0.55 0.00 -0.55 0.00 0.00 41.25 43.48 3kqx s ASN 506 CO 0.15 -0.25 1.72 -0.08 -2.79 0.00 0.00 177.10 175.85 3kqx h GLU 507 N 8.04 0.00 -0.37 0.43 4.81 -1.96 -1.87 114.58 123.66 3kqx h GLU 507 Ca -0.20 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3kqx h GLU 507 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3kqx h GLU 507 CO 0.20 0.49 0.17 0.93 -0.73 0.00 0.00 179.01 180.07 3kqx h GLU 508 N 0.00 0.53 -0.45 1.92 3.07 -1.99 -0.30 114.58 117.36 3kqx h GLU 508 Ca -0.00 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 3kqx h GLU 508 Cb 0.88 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 3kqx h GLU 508 CO 0.06 0.49 0.13 1.25 -1.40 0.00 0.00 179.01 179.54 3kqx h LEU 509 N 0.45 0.67 -0.53 1.33 5.85 -1.93 -1.45 115.31 119.70 3kqx h LEU 509 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kqx h LEU 509 Cb 0.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3kqx h LEU 509 CO -0.01 0.71 0.33 0.40 -0.34 0.00 0.00 178.44 179.53 3kqx h ILE 510 N 0.59 1.15 -0.49 4.05 2.04 -1.14 -1.09 117.51 122.63 3kqx h ILE 510 Ca 0.14 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3kqx h ILE 510 Cb 0.28 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3kqx h ILE 510 CO -0.00 0.15 0.17 0.78 0.00 0.00 0.00 178.15 179.24 3kqx h ASN 511 N 0.71 0.65 -0.86 1.72 2.35 -0.67 -0.26 115.58 119.22 3kqx h ASN 511 Ca 0.19 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3kqx h ASN 511 Cb -0.05 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 3kqx h ASN 511 CO -0.04 0.61 0.57 0.11 -1.65 0.00 0.00 177.43 177.03 3kqx h LYS 512 N 0.70 1.12 -0.59 0.81 1.57 -0.73 -0.87 116.57 118.58 3kqx h LYS 512 Ca 0.17 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3kqx h LYS 512 Cb 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3kqx h LYS 512 CO -0.01 0.74 0.04 0.82 -0.57 0.00 0.00 179.45 180.47 3kqx h ILE 513 N 1.15 1.26 -0.74 1.86 2.04 -0.49 -1.58 117.51 121.02 3kqx h ILE 513 Ca 0.32 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 3kqx h ILE 513 Cb -0.11 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3kqx h ILE 513 CO -0.08 0.39 0.23 -0.07 0.00 0.00 0.00 178.15 178.62 3kqx h LEU 514 N 0.90 1.08 -0.40 1.44 3.38 -0.90 0.65 115.31 121.45 3kqx h LEU 514 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kqx h LEU 514 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kqx h LEU 514 CO 0.02 1.00 0.23 1.56 0.09 0.00 0.00 178.44 181.34 3kqx h GLN 515 N 1.10 0.56 -0.30 1.13 4.20 -0.99 -2.06 115.11 118.74 3kqx h GLN 515 Ca 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3kqx h GLN 515 Cb 0.31 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3kqx h GLN 515 CO -0.01 0.43 0.11 0.77 -0.67 0.00 0.00 178.83 179.46 3kqx h SER 516 N 0.53 0.38 -0.76 1.46 0.02 -0.99 -1.31 113.55 112.88 3kqx h SER 516 Ca 0.14 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3kqx h SER 516 Cb 0.03 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3kqx h SER 516 CO -0.03 0.37 0.44 -1.28 -1.14 0.00 0.00 176.83 175.19 3kqx h SER 517 N 0.43 0.92 -0.59 3.07 0.87 -0.50 0.17 113.55 117.92 3kqx h SER 517 Ca 0.11 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3kqx h SER 517 Cb 0.12 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3kqx h SER 517 CO -0.01 0.73 0.03 0.11 -0.53 0.00 0.00 176.83 177.16 3kqx h LYS 518 N 1.04 1.02 0.00 2.24 6.56 -0.66 -1.89 116.57 124.88 3kqx h LYS 518 Ca 0.27 -0.31 -0.14 0.00 -1.06 0.00 0.00 60.65 59.42 3kqx h LYS 518 Cb -0.01 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 3kqx h LYS 518 CO -0.05 0.99 -1.02 1.79 -2.06 0.00 0.00 179.45 179.11 3kqx h THR 519 N 0.91 0.66 0.00 -0.16 1.35 -1.20 -3.21 112.91 111.27 3kqx h THR 519 Ca 0.17 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 3kqx h THR 519 Cb 0.51 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3kqx h THR 519 CO 0.02 0.38 -0.32 -1.54 -0.25 0.00 0.00 175.52 173.81 3kqx n SER 520 N -3.03 0.35 -2.12 5.36 3.41 0.04 -4.89 113.62 112.73 3kqx n SER 520 Ca -0.04 0.06 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 3kqx n SER 520 Cb 0.79 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 3kqx n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqx n ASN 521 N -1.56 -4.40 -4.34 4.04 3.02 -0.72 -4.84 115.26 106.45 3kqx n ASN 521 Ca 0.06 0.20 -0.45 0.00 -0.03 0.00 0.00 54.58 54.36 3kqx n ASN 521 Cb 0.35 -3.80 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 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 -4.49 2.97 0.10 3.52 2.02 -1.18 -4.86 118.70 116.77 3kqx s GLU 522 Ca 0.00 -1.54 -0.30 0.00 0.02 0.00 0.00 54.97 53.15 3kqx s GLU 522 Cb 0.00 -4.21 -0.06 0.00 0.10 0.00 0.00 34.13 29.96 3kqx s GLU 522 CO 0.00 -1.18 1.13 -1.25 0.02 0.00 0.00 175.26 173.98 3kqx s PRO 523 N 1.61 4.51 0.05 0.39 0.05 -1.26 -4.52 135.00 135.83 3kqx s PRO 523 Ca 0.04 1.70 0.02 0.00 0.05 0.00 0.00 61.00 62.80 3kqx s PRO 523 Cb -0.27 -3.34 -0.03 0.00 0.05 0.00 0.00 34.50 30.91 3kqx s PRO 523 CO 0.05 -0.11 -0.07 0.08 0.05 0.00 0.00 177.00 177.01 3kqx s VAL 524 N 0.57 0.49 -0.01 -0.36 1.01 -1.26 -2.23 120.40 118.61 3kqx s VAL 524 Ca 0.54 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3kqx s VAL 524 Cb -0.28 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3kqx s VAL 524 CO 0.31 -0.54 -0.03 0.86 0.00 0.00 0.00 175.10 175.70 3kqx s TRP 525 N -2.03 0.28 -0.07 5.22 -0.11 -0.29 -4.92 118.94 117.02 3kqx s TRP 525 Ca -0.05 -0.05 -0.29 0.00 1.22 0.00 0.00 56.10 56.93 3kqx s TRP 525 Cb -0.06 -0.21 -0.02 0.00 -1.50 0.00 0.00 33.47 31.69 3kqx s TRP 525 CO -0.02 -0.02 0.96 -0.46 -4.62 0.00 0.00 176.95 172.79 3kqx s TRP 526 N 0.08 3.56 0.17 5.86 -0.00 -1.26 -1.26 118.94 126.08 3kqx s TRP 526 Ca -0.00 1.58 0.10 0.00 -0.00 0.00 0.00 56.10 57.77 3kqx s TRP 526 Cb -0.03 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.28 3kqx s TRP 526 CO -0.00 -0.13 -0.21 -0.51 -0.00 0.00 0.00 176.95 176.10 3kqx s LEU 527 N 1.58 2.42 0.30 5.86 1.43 -0.04 -4.92 118.68 125.31 3kqx s LEU 527 Ca 0.48 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 3kqx s LEU 527 Cb -0.19 -0.96 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 3kqx s LEU 527 CO 0.21 0.03 0.62 -2.16 0.23 0.00 0.00 176.35 175.29 3kqx s PRO 528 N -2.66 3.77 -0.52 1.29 0.04 -1.26 -4.40 135.00 131.26 3kqx s PRO 528 Ca 0.17 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 3kqx s PRO 528 Cb -0.07 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 32.02 3kqx s PRO 528 CO 0.08 0.19 0.47 0.42 0.04 0.00 0.00 177.00 178.19 3kqx s ILE 529 N -2.05 5.18 -0.41 0.56 1.01 -1.26 -4.83 121.20 119.40 3kqx s ILE 529 Ca 0.48 -1.40 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 3kqx s ILE 529 Cb -0.11 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.12 3kqx s ILE 529 CO 0.26 -0.79 0.68 -0.63 0.00 0.00 0.00 174.94 174.46 3kqx s ILE 530 N 1.60 4.80 0.36 2.92 1.01 -1.26 -4.92 121.20 125.71 3kqx s ILE 530 Ca 0.03 0.38 0.18 0.00 0.00 0.00 0.00 60.65 61.24 3kqx s ILE 530 Cb -0.28 -4.19 0.16 0.00 0.01 0.00 0.00 42.46 38.16 3kqx s ILE 530 CO 0.04 -0.53 1.90 0.78 0.00 0.00 0.00 174.94 177.13 3kqx h ASN 531 N 8.75 0.00 -0.26 3.58 2.35 -2.00 -1.78 115.58 126.23 3kqx h ASN 531 Ca -0.25 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3kqx h ASN 531 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3kqx h ASN 531 CO 0.89 0.28 0.39 -0.33 -1.65 0.00 0.00 177.43 177.02 3kqx h GLU 532 N 0.00 0.00 0.00 0.81 3.07 -2.05 -1.64 114.58 114.77 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kqx h GLU 532 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3kqx h GLU 532 CO 0.04 0.00 -0.26 0.66 -1.40 0.00 0.00 179.01 178.04 3kqx n TYR 533 N -3.44 0.30 -0.27 4.33 0.53 -0.67 -4.22 117.16 113.73 3kqx n TYR 533 Ca 0.04 0.09 0.09 0.00 -1.02 0.00 0.00 57.90 57.10 3kqx n TYR 533 Cb 0.52 -0.55 0.34 0.00 -1.03 0.00 0.00 39.34 38.61 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqx h ARG 534 N 0.00 0.76 0.00 -0.72 9.65 -1.44 -1.48 114.38 121.15 3kqx h ARG 534 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3kqx h ARG 534 Cb 0.60 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3kqx h ARG 534 CO 0.00 0.51 0.00 0.00 2.80 0.00 0.00 179.97 183.28 3kqx h ALA 535 N 1.58 1.00 0.00 2.80 0.00 -1.78 -1.28 119.26 121.58 3kqx h ALA 535 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3kqx h ALA 535 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kqx h ALA 535 CO -0.19 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.31 3kqx n THR 536 N -2.58 1.00 0.40 0.00 -2.24 -0.56 -2.14 114.28 108.16 3kqx n THR 536 Ca 0.01 0.34 0.07 0.00 -2.27 0.00 0.00 64.05 62.20 3kqx n THR 536 Cb 0.22 -1.24 0.22 0.00 -2.10 0.00 0.00 70.33 67.42 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 -2.01 2.72 -4.55 3.22 4.77 -0.48 -4.51 117.00 116.15 3kqx n LEU 537 Ca 0.02 -1.36 -0.43 0.00 -0.03 0.00 0.00 56.01 54.21 3kqx n LEU 537 Cb 0.17 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3kqx n LEU 537 CO 0.15 0.63 0.79 0.20 -1.33 0.00 0.00 177.39 177.83 3kqx s ASN 538 N -0.95 6.45 0.23 -1.43 0.01 -0.91 -0.33 114.94 118.02 3kqx s ASN 538 Ca 0.32 -0.01 -0.27 0.00 -0.71 0.00 0.00 52.86 52.19 3kqx s ASN 538 Cb 0.18 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.29 3kqx s ASN 538 CO 0.21 -1.15 0.88 -0.55 -1.51 0.00 0.00 177.10 174.97 3kqx s SER 539 N 2.51 7.49 0.43 -1.22 0.15 -1.26 -4.84 113.70 116.95 3kqx s SER 539 Ca 0.36 1.81 0.16 0.00 0.70 0.00 0.00 55.95 58.98 3kqx s SER 539 Cb -0.10 -2.56 0.98 0.00 -1.71 0.00 0.00 66.02 62.62 3kqx s SER 539 CO 0.24 0.13 1.95 0.50 1.20 0.00 0.00 173.24 177.26 3kqx h LYS 540 N 3.99 0.00 0.00 5.44 1.63 -1.97 -3.39 116.57 122.27 3kqx h LYS 540 Ca -0.46 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.23 3kqx h LYS 540 Cb 1.20 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 3kqx h LYS 540 CO 0.67 0.23 -1.39 0.66 -3.45 0.00 0.00 179.45 176.18 3kqx n TYR 541 N -4.14 0.00 -2.63 1.91 4.01 -1.26 -5.08 117.16 109.97 3kqx n TYR 541 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 3kqx n TYR 541 Cb 0.30 -0.26 0.06 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.13 3.85 0.33 -0.72 0.00 -1.26 -5.01 121.76 116.82 3kqx s ALA 542 Ca -0.09 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.38 3kqx s ALA 542 Cb 0.03 -2.03 0.60 0.00 0.00 0.00 0.00 23.12 21.71 3kqx s ALA 542 CO 0.14 -1.03 1.95 -0.44 0.00 0.00 0.00 175.76 176.39 3kqx h ASP 543 N -0.16 0.81 -5.03 0.00 3.32 -1.80 -3.39 116.42 110.16 3kqx h ASP 543 Ca -0.39 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 3kqx h ASP 543 Cb 1.29 -0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 3kqx h ASP 543 CO 0.47 0.54 0.02 -0.51 -1.72 0.00 0.00 179.24 178.04 3kqx s ILE 544 N -5.81 0.04 0.19 0.35 2.07 -0.94 -4.50 121.20 112.60 3kqx s ILE 544 Ca -0.11 -0.33 -0.08 0.00 -1.41 0.00 0.00 60.65 58.72 3kqx s ILE 544 Cb 0.19 -1.03 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 3kqx s ILE 544 CO 0.78 -0.18 0.49 0.20 -1.91 0.00 0.00 174.94 174.32 3kqx s ASN 545 N -2.35 6.60 0.16 4.50 0.01 0.56 -1.01 114.94 123.41 3kqx s ASN 545 Ca -0.02 0.83 -0.07 0.00 -0.71 0.00 0.00 52.86 52.89 3kqx s ASN 545 Cb 0.00 -2.19 0.03 0.00 0.41 0.00 0.00 41.25 39.50 3kqx s ASN 545 CO -0.07 -0.01 1.47 -0.61 -1.51 0.00 0.00 177.10 176.38 3kqx h GLN 546 N 2.76 0.73 -4.68 -0.60 4.15 -1.68 -3.46 115.11 112.32 3kqx h GLN 546 Ca -0.47 -0.44 -0.24 0.00 0.77 0.00 0.00 58.65 58.28 3kqx h GLN 546 Cb 1.17 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.76 3kqx h GLN 546 CO 0.70 1.06 -0.69 0.96 -1.93 0.00 0.00 178.83 178.93 3kqx s ILE 547 N -4.13 0.69 0.16 2.39 -4.36 -1.26 -4.92 121.20 109.77 3kqx s ILE 547 Ca -0.09 -1.95 -0.19 0.00 -0.26 0.00 0.00 60.65 58.17 3kqx s ILE 547 Cb 0.11 -1.76 -0.08 0.00 1.25 0.00 0.00 42.46 41.98 3kqx s ILE 547 CO 0.86 -0.80 0.65 -0.55 0.24 0.00 0.00 174.94 175.34 3kqx s SER 548 N -3.07 7.03 0.00 4.36 0.15 -1.26 -4.79 113.70 116.12 3kqx s SER 548 Ca 0.14 1.32 0.20 0.00 0.70 0.00 0.00 55.95 58.31 3kqx s SER 548 Cb 0.05 -2.38 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3kqx s SER 548 CO -0.03 0.12 1.12 -1.54 1.20 0.00 0.00 173.24 174.11 3kqx n SER 549 N 1.05 2.57 -0.04 5.45 3.41 -1.26 -4.67 113.62 120.13 3kqx n SER 549 Ca -0.05 -1.79 -0.07 0.00 -0.26 0.00 0.00 58.87 56.70 3kqx n SER 549 Cb 0.51 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.96 2.72 -4.68 4.04 3.41 -1.26 -5.04 113.62 113.77 3kqx n SER 550 Ca 0.11 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 3kqx n SER 550 Cb 0.50 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.17 3.85 -0.71 -3.33 1.01 -1.26 -4.92 120.40 112.86 3kqx s VAL 551 Ca -0.12 1.20 0.26 0.00 0.00 0.00 0.00 61.98 63.32 3kqx s VAL 551 Cb 0.03 -3.77 0.26 0.00 0.00 0.00 0.00 36.38 32.91 3kqx s VAL 551 CO 0.19 -0.02 1.72 0.29 0.00 0.00 0.00 175.10 177.29 3kqx n LYS 552 N 5.53 0.27 -1.91 2.72 4.01 -1.26 -4.57 118.16 122.95 3kqx n LYS 552 Ca 0.13 0.21 -0.42 0.00 -0.51 0.00 0.00 58.31 57.72 3kqx n LYS 552 Cb 0.44 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqx n ALA 553 N -1.80 5.30 -0.28 7.82 0.00 -1.26 -4.76 120.51 125.53 3kqx n ALA 553 Ca 0.05 -3.94 0.03 0.00 0.00 0.00 0.00 53.44 49.59 3kqx n ALA 553 Cb 0.43 -3.46 0.25 0.00 0.00 0.00 0.00 19.45 16.67 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 6.14 0.88 0.10 0.00 0.02 -1.98 -0.59 113.55 118.13 3kqx h SER 554 Ca 0.53 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.38 3kqx h SER 554 Cb 0.66 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3kqx h SER 554 CO 1.80 0.58 -0.35 0.28 -1.14 0.00 0.00 176.83 178.00 3kqx h SER 555 N 1.01 0.36 -0.10 3.07 0.02 -1.94 -0.03 113.55 115.93 3kqx h SER 555 Ca 0.36 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3kqx h SER 555 Cb 0.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3kqx h SER 555 CO -0.12 0.69 -0.39 0.40 -1.14 0.00 0.00 176.83 176.26 3kqx h ILE 556 N 0.30 1.38 -0.68 3.27 2.04 -1.60 -2.91 117.51 119.31 3kqx h ILE 556 Ca 0.04 -1.73 0.03 0.00 1.00 0.00 0.00 64.86 64.20 3kqx h ILE 556 Cb 0.76 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 3kqx h ILE 556 CO 0.06 0.51 0.42 0.58 0.00 0.00 0.00 178.15 179.72 3kqx h VAL 557 N 0.03 1.08 -0.98 1.67 2.07 -0.99 -0.99 116.25 118.13 3kqx h VAL 557 Ca -0.02 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3kqx h VAL 557 Cb 1.03 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3kqx h VAL 557 CO 0.08 0.15 0.64 0.00 0.02 0.00 0.00 177.57 178.46 3kqx h ALA 558 N 1.30 1.40 -0.57 1.67 0.00 -1.07 -1.54 119.26 120.45 3kqx h ALA 558 Ca 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kqx h ALA 558 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kqx h ALA 558 CO -0.11 0.47 0.01 0.77 0.00 0.00 0.00 179.25 180.39 3kqx h SER 559 N 1.18 0.98 -0.57 0.00 0.02 -1.22 -1.18 113.55 112.76 3kqx h SER 559 Ca 0.41 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3kqx h SER 559 Cb 0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kqx h SER 559 CO -0.14 1.04 0.23 -0.07 -1.14 0.00 0.00 176.83 176.75 3kqx h LEU 560 N 0.89 0.82 -0.29 5.07 3.38 -0.79 -1.45 115.31 122.94 3kqx h LEU 560 Ca 0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kqx h LEU 560 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kqx h LEU 560 CO 0.03 0.74 0.03 0.15 0.09 0.00 0.00 178.44 179.47 3kqx h PHE 561 N 0.87 0.53 -0.38 1.13 3.04 -1.00 -3.18 116.94 117.95 3kqx h PHE 561 Ca 0.21 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.97 3kqx h PHE 561 Cb 0.19 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 3kqx h PHE 561 CO 0.01 0.61 -0.17 -0.07 -2.02 0.00 0.00 178.31 176.67 3kqx h LEU 562 N 0.30 0.71 -2.24 0.59 3.38 -1.04 -2.34 115.31 114.67 3kqx h LEU 562 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kqx h LEU 562 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kqx h LEU 562 CO 0.01 0.89 -0.04 0.50 0.09 0.00 0.00 178.44 179.89 3kqx h LYS 563 N 0.63 0.00 0.00 1.13 3.64 -1.27 -0.34 116.57 120.37 3kqx h LYS 563 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3kqx h LYS 563 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3kqx h LYS 563 CO 0.05 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.66 3kqx n GLU 564 N -3.92 0.06 -0.12 1.90 -0.58 -0.88 -2.49 120.64 114.62 3kqx n GLU 564 Ca -0.03 0.26 0.05 0.00 -0.42 0.00 0.00 57.16 57.02 3kqx n GLU 564 Cb 0.13 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.42 0.31 -4.00 -0.32 3.01 -0.14 -4.84 117.46 110.07 3kqx n PHE 565 Ca 0.04 -0.40 -0.30 0.00 1.01 0.00 0.00 57.45 57.79 3kqx n PHE 565 Cb 0.12 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.95 1.64 -0.17 -4.37 1.01 -1.04 -3.98 120.40 112.54 3kqx s VAL 566 Ca 0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3kqx s VAL 566 Cb 0.10 -1.70 -0.16 0.00 0.00 0.00 0.00 36.38 34.62 3kqx s VAL 566 CO 0.13 0.20 0.27 1.56 0.00 0.00 0.00 175.10 177.26 3kqx h GLN 567 N 7.98 0.00 -0.43 2.72 1.08 -1.88 -3.44 115.11 121.14 3kqx h GLN 567 Ca -0.29 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.66 3kqx h GLN 567 Cb 1.10 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.21 3kqx h GLN 567 CO 0.48 0.74 -0.88 -1.71 -0.95 0.00 0.00 178.83 176.51 3kqx n ASN 568 N -4.54 0.52 -4.03 1.46 5.15 -1.26 -5.09 115.26 107.47 3kqx n ASN 568 Ca -0.19 -2.27 -0.17 0.00 -0.60 0.00 0.00 54.58 51.35 3kqx n ASN 568 Cb 0.50 -0.08 -0.14 0.00 -0.53 0.00 0.00 39.78 39.53 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqx s THR 569 N -2.38 0.65 0.00 -0.44 2.01 -1.26 -5.12 115.64 109.10 3kqx s THR 569 Ca 0.23 -0.58 -0.34 0.00 0.31 0.00 0.00 61.69 61.31 3kqx s THR 569 Cb 0.39 -0.59 -0.12 0.00 0.01 0.00 0.00 72.50 72.18 3kqx s THR 569 CO -0.05 0.02 1.78 0.00 -0.69 0.00 0.00 174.62 175.69 3kqx n ALA 570 N 2.44 1.09 -3.08 7.40 0.00 -1.26 -4.92 120.51 122.18 3kqx n ALA 570 Ca -0.16 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 3kqx n ALA 570 Cb 0.56 -2.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 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 3.00 -0.20 0.05 0.00 -0.00 -1.26 -1.13 118.94 119.39 3kqx s TRP 571 Ca 0.88 0.50 0.01 0.00 -0.00 0.00 0.00 56.10 57.49 3kqx s TRP 571 Cb -0.68 0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 32.83 3kqx s TRP 571 CO 0.46 -0.10 -0.06 0.00 -0.00 0.00 0.00 176.95 177.25 3kqx s ALA 572 N 0.12 0.54 -0.07 5.86 0.00 -0.61 -1.21 121.76 126.39 3kqx s ALA 572 Ca -0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 3kqx s ALA 572 Cb -0.02 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3kqx s ALA 572 CO 0.00 -0.12 -0.03 -1.58 0.00 0.00 0.00 175.76 174.04 3kqx s HIS 573 N -1.98 0.85 -0.21 0.00 2.46 0.15 -1.76 115.29 114.80 3kqx s HIS 573 Ca -0.06 -0.28 -0.04 0.00 0.47 0.00 0.00 55.06 55.15 3kqx s HIS 573 Cb -0.06 -0.83 -0.01 0.00 -0.13 0.00 0.00 32.58 31.55 3kqx s HIS 573 CO -0.02 -0.31 -0.04 0.42 -2.47 0.00 0.00 174.74 172.32 3kqx s ILE 574 N 1.54 3.44 -0.37 0.89 1.01 0.19 -1.15 121.20 126.76 3kqx s ILE 574 Ca -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 3kqx s ILE 574 Cb -0.13 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.79 3kqx s ILE 574 CO -0.04 0.43 0.24 -0.62 0.00 0.00 0.00 174.94 174.95 3kqx s ASP 575 N 1.33 5.90 -0.10 3.58 -1.08 0.11 -1.52 116.67 124.89 3kqx s ASP 575 Ca 0.04 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 51.42 3kqx s ASP 575 Cb -0.14 -2.09 0.39 0.00 -1.46 0.00 0.00 42.92 39.61 3kqx s ASP 575 CO -0.02 -0.35 1.30 2.30 0.52 0.00 0.00 175.17 178.92 3kqx n ILE 576 N 5.07 1.73 -0.30 4.11 -5.35 0.01 -2.67 119.36 121.97 3kqx n ILE 576 Ca -0.12 -1.57 0.16 0.00 -0.27 0.00 0.00 62.75 60.95 3kqx n ILE 576 Cb 0.48 0.05 0.41 0.00 -1.74 0.00 0.00 39.64 38.84 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 1.52 1.94 0.00 -1.28 0.00 -1.83 -0.22 119.26 119.39 3kqx h ALA 577 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3kqx h ALA 577 Cb 1.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3kqx h ALA 577 CO 0.11 -0.26 -1.08 0.78 0.00 0.00 0.00 179.25 178.81 3kqx h GLY 578 N 0.60 0.00 0.00 0.00 0.00 -1.82 -3.39 103.07 98.47 3kqx h GLY 578 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3kqx h GLY 578 CO -0.27 0.00 -1.20 3.33 0.00 0.00 0.00 176.54 178.40 3kqx n VAL 579 N -3.25 0.00 -0.21 4.60 0.24 -0.88 -4.25 118.33 114.57 3kqx n VAL 579 Ca -0.03 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 3kqx n VAL 579 Cb 0.93 0.67 0.07 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.00 -3.16 -1.34 0.87 -1.25 -3.43 113.55 106.25 3kqx h SER 580 Ca 0.00 -0.23 -0.62 0.00 -1.23 0.00 0.00 61.79 59.71 3kqx h SER 580 Cb 0.57 -0.27 -0.12 0.00 -0.44 0.00 0.00 62.40 62.14 3kqx h SER 580 CO 0.00 1.00 -0.51 0.86 -0.53 0.00 0.00 176.83 177.64 3kqx s TRP 581 N -5.18 3.39 -0.67 2.24 -0.11 -1.26 -1.48 118.94 115.87 3kqx s TRP 581 Ca -0.11 0.29 -0.23 0.00 1.22 0.00 0.00 56.10 57.27 3kqx s TRP 581 Cb 0.15 -2.08 0.07 0.00 -1.50 0.00 0.00 33.47 30.10 3kqx s TRP 581 CO 0.84 0.35 1.00 1.21 -4.62 0.00 0.00 176.95 175.73 3kqx s ASN 582 N 0.05 6.17 0.32 5.86 3.84 0.14 -4.86 114.94 126.46 3kqx s ASN 582 Ca 0.08 -0.92 0.01 0.00 0.21 0.00 0.00 52.86 52.24 3kqx s ASN 582 Cb -0.12 -2.44 0.53 0.00 -0.55 0.00 0.00 41.25 38.67 3kqx s ASN 582 CO -0.00 -1.49 1.93 -0.26 -2.79 0.00 0.00 177.10 174.49 3kqx h PHE 583 N 9.62 0.84 -0.11 0.43 -1.00 -1.97 0.75 116.94 125.51 3kqx h PHE 583 Ca -0.29 -0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.28 3kqx h PHE 583 Cb 1.07 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 40.37 3kqx h PHE 583 CO 0.99 0.60 -0.69 0.87 -1.61 0.00 0.00 178.31 178.46 3kqx h LYS 584 N 0.85 0.66 -0.00 1.51 6.56 -1.95 -3.11 116.57 121.09 3kqx h LYS 584 Ca 0.22 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 3kqx h LYS 584 Cb 0.06 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3kqx h LYS 584 CO -0.03 1.18 -0.16 0.00 -2.06 0.00 0.00 179.45 178.38 3kqx n ALA 585 N -2.59 2.81 -3.50 3.86 0.00 -1.17 -4.97 120.51 114.95 3kqx n ALA 585 Ca -0.08 -0.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 3kqx n ALA 585 Cb 0.70 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.91 3kqx n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqx n ARG 586 N -1.17 -7.25 -3.66 0.00 1.74 0.23 -5.00 116.66 101.55 3kqx n ARG 586 Ca 0.11 0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 57.93 3kqx n ARG 586 Cb 0.30 -5.86 -0.02 0.00 -1.02 0.00 0.00 32.46 25.86 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 -5.82 1.54 0.70 5.56 -2.85 -1.02 -5.03 119.74 112.82 3kqx s LYS 587 Ca 0.28 -0.74 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 3kqx s LYS 587 Cb -0.13 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 3kqx s LYS 587 CO 0.73 -0.69 1.07 -1.25 0.10 0.00 0.00 175.35 175.31 3kqx s PRO 588 N -3.82 2.80 0.25 1.78 0.05 -1.26 0.27 135.00 135.06 3kqx s PRO 588 Ca 0.06 1.09 0.22 0.00 0.05 0.00 0.00 61.00 62.43 3kqx s PRO 588 Cb -0.04 -1.97 0.06 0.00 0.05 0.00 0.00 34.50 32.61 3kqx s PRO 588 CO -0.02 -1.22 1.15 0.87 0.05 0.00 0.00 177.00 177.83 3kqx h LYS 589 N -0.58 0.00 -1.57 4.56 1.57 -1.54 -3.43 116.57 115.58 3kqx h LYS 589 Ca -0.44 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.08 3kqx h LYS 589 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 3kqx h LYS 589 CO 0.55 0.02 -0.31 0.41 -0.57 0.00 0.00 179.45 179.55 3kqx n GLY 590 N 1.17 0.13 3.67 3.86 0.00 -1.26 -4.90 105.19 107.86 3kqx n GLY 590 Ca 0.00 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 3kqx n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqx n PHE 591 N -3.76 2.32 0.00 1.61 7.35 -1.26 -3.28 117.46 120.44 3kqx n PHE 591 Ca -0.14 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3kqx n PHE 591 Cb 0.58 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.81 3kqx n PHE 591 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kqx n GLY 592 N 3.76 2.86 0.27 7.13 0.00 -1.26 -4.73 105.19 113.22 3kqx n GLY 592 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 0.38 -0.06 1.61 2.07 -1.74 -1.08 116.25 117.42 3kqx h VAL 593 Ca 0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 3kqx h VAL 593 Cb 0.00 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3kqx h VAL 593 CO 0.00 0.00 -0.77 0.03 0.02 0.00 0.00 177.57 176.85 3kqx h ARG 594 N -0.22 0.40 0.25 1.57 3.08 -1.91 -0.70 114.38 116.85 3kqx h ARG 594 Ca 0.15 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3kqx h ARG 594 Cb 0.46 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3kqx h ARG 594 CO -0.42 0.99 -0.33 1.25 -1.07 0.00 0.00 179.97 180.39 3kqx h LEU 595 N 0.26 -0.90 -0.97 3.04 5.85 -1.83 0.39 115.31 121.15 3kqx h LEU 595 Ca -0.04 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kqx h LEU 595 Cb 1.35 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 3kqx h LEU 595 CO 0.13 -0.44 0.41 -0.07 -0.34 0.00 0.00 178.44 178.13 3kqx h LEU 596 N -0.63 1.03 -0.34 2.25 3.38 -1.13 -1.69 115.31 118.18 3kqx h LEU 596 Ca -0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3kqx h LEU 596 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kqx h LEU 596 CO -0.11 0.85 -0.07 0.74 0.09 0.00 0.00 178.44 179.94 3kqx h THR 597 N 1.14 1.28 -0.49 0.22 2.02 -0.97 -1.68 112.91 114.42 3kqx h THR 597 Ca 0.28 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.38 3kqx h THR 597 Cb 0.08 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3kqx h THR 597 CO -0.04 0.36 0.32 -0.33 0.37 0.00 0.00 175.52 176.21 3kqx h GLU 598 N 0.43 0.55 0.05 6.66 4.39 -0.69 0.17 114.58 126.14 3kqx h GLU 598 Ca 0.09 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3kqx h GLU 598 Cb 0.56 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3kqx h GLU 598 CO 0.03 0.36 -0.02 0.35 -1.16 0.00 0.00 179.01 178.57 3kqx h PHE 599 N 0.57 -0.06 -0.85 4.33 3.57 -1.02 -0.39 116.94 123.09 3kqx h PHE 599 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3kqx h PHE 599 Cb 0.08 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3kqx h PHE 599 CO -0.00 0.24 0.56 0.28 -2.23 0.00 0.00 178.31 177.15 3kqx h VAL 600 N -0.36 1.21 -0.02 1.41 2.07 -0.99 -3.23 116.25 116.34 3kqx h VAL 600 Ca -0.01 -0.39 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 3kqx h VAL 600 Cb 0.32 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3kqx h VAL 600 CO 0.01 0.21 -0.86 -0.07 0.02 0.00 0.00 177.57 176.88 3kqx h LEU 601 N 1.14 0.42 -1.14 2.57 4.07 -0.91 -3.51 115.31 117.94 3kqx h LEU 601 Ca 0.31 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kqx h LEU 601 Cb -0.11 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.50 3kqx h LEU 601 CO -0.07 1.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.97