#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 4.25 -0.18 4.33 8.01 -1.26 -4.90 118.70 128.94 3kqx s GLU 87 Ca 0.00 2.30 -0.28 0.00 0.01 0.00 0.00 54.97 57.00 3kqx s GLU 87 Cb 0.00 -3.16 -0.00 0.00 -4.31 0.00 0.00 34.13 26.66 3kqx s GLU 87 CO 0.00 -0.53 0.97 0.08 0.01 0.00 0.00 175.26 175.79 3kqx s VAL 88 N 0.82 4.77 0.61 2.63 1.01 -1.26 -5.03 120.40 123.95 3kqx s VAL 88 Ca 0.66 1.90 -0.17 0.00 0.00 0.00 0.00 61.98 64.37 3kqx s VAL 88 Cb -0.42 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 3kqx s VAL 88 CO 0.34 -0.07 1.14 -2.16 0.00 0.00 0.00 175.10 174.35 3kqx s PRO 89 N 2.62 2.98 0.02 2.72 0.04 -1.26 -4.96 135.00 137.16 3kqx s PRO 89 Ca 0.43 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.07 3kqx s PRO 89 Cb -0.16 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3kqx s PRO 89 CO 0.11 -1.14 -0.10 -0.65 0.04 0.00 0.00 177.00 175.26 3kqx s GLN 90 N -3.66 0.69 -0.12 4.56 -0.21 -1.26 -5.03 119.66 114.63 3kqx s GLN 90 Ca 0.71 -0.57 -0.21 0.00 0.02 0.00 0.00 55.36 55.31 3kqx s GLN 90 Cb -0.24 -0.63 -0.26 0.00 1.00 0.00 0.00 33.01 32.88 3kqx s GLN 90 CO 0.35 0.16 0.61 0.28 -2.12 0.00 0.00 175.29 174.57 3kqx h VAL 91 N 4.68 1.30 -2.75 1.09 2.07 -1.96 -3.48 116.25 117.20 3kqx h VAL 91 Ca -0.34 -2.37 -0.50 0.00 0.82 0.00 0.00 66.70 64.30 3kqx h VAL 91 Cb 1.19 2.89 -0.15 0.00 -1.52 0.00 0.00 31.29 33.70 3kqx h VAL 91 CO 0.45 0.61 -0.75 0.68 0.02 0.00 0.00 177.57 178.58 3kqx s VAL 92 N -2.38 1.96 0.03 2.57 -7.23 -1.26 -5.04 120.40 109.04 3kqx s VAL 92 Ca -0.20 -2.23 0.32 0.00 -1.81 0.00 0.00 61.98 58.06 3kqx s VAL 92 Cb 0.02 -2.09 0.34 0.00 0.56 0.00 0.00 36.38 35.21 3kqx s VAL 92 CO 0.73 -0.50 1.95 0.77 -0.31 0.00 0.00 175.10 177.73 3kqx h SER 93 N 2.58 0.00 1.00 4.85 4.64 -2.04 -1.82 113.55 122.76 3kqx h SER 93 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kqx h SER 93 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kqx h SER 93 CO 0.60 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.74 3kqx n LEU 94 N -2.73 0.44 -4.71 5.97 4.77 -1.26 -4.87 117.00 114.61 3kqx n LEU 94 Ca -0.00 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.13 3kqx n LEU 94 Cb 0.19 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3kqx n LEU 94 CO 0.21 -0.25 1.06 -1.81 -1.33 0.00 0.00 177.39 175.27 3kqx s ASP 95 N -3.82 6.84 0.52 -1.43 1.01 -0.69 -4.98 116.67 114.13 3kqx s ASP 95 Ca 0.09 2.28 -0.21 0.00 0.71 0.00 0.00 52.55 55.42 3kqx s ASP 95 Cb 0.13 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 3kqx s ASP 95 CO 0.47 -0.65 1.22 -2.16 0.21 0.00 0.00 175.17 174.26 3kqx s PRO 96 N 1.29 3.38 -0.01 8.23 0.04 -1.26 -4.96 135.00 141.71 3kqx s PRO 96 Ca 0.64 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.63 3kqx s PRO 96 Cb -0.36 -2.22 0.14 0.00 0.04 0.00 0.00 34.50 32.10 3kqx s PRO 96 CO 0.30 -0.89 1.11 0.25 0.04 0.00 0.00 177.00 177.81 3kqx n THR 97 N -0.95 1.07 -3.63 1.26 -2.24 -1.26 -4.83 114.28 103.70 3kqx n THR 97 Ca 0.10 -1.07 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 3kqx n THR 97 Cb 0.48 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.09 -0.35 -0.11 3.42 1.04 -1.26 -4.69 113.70 110.65 3kqx s SER 98 Ca 0.11 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.97 3kqx s SER 98 Cb 0.07 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3kqx s SER 98 CO 0.06 -1.01 0.86 -0.63 0.98 0.00 0.00 173.24 173.50 3kqx s ILE 99 N -3.82 4.89 0.35 -1.02 1.01 -1.25 -4.88 121.20 116.49 3kqx s ILE 99 Ca 0.06 1.74 -0.26 0.00 0.00 0.00 0.00 60.65 62.18 3kqx s ILE 99 Cb -0.01 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 3kqx s ILE 99 CO -0.07 0.09 1.09 -2.16 0.00 0.00 0.00 174.94 173.88 3kqx s PRO 100 N 1.68 4.34 -0.07 2.79 0.04 -1.26 -5.03 135.00 137.49 3kqx s PRO 100 Ca 0.42 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 3kqx s PRO 100 Cb -0.18 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.58 3kqx s PRO 100 CO 0.17 -0.03 0.14 0.42 0.04 0.00 0.00 177.00 177.75 3kqx s ILE 101 N -1.42 -0.08 -0.22 0.56 -1.09 -1.26 -4.98 121.20 112.71 3kqx s ILE 101 Ca 0.52 0.21 -0.08 0.00 -2.23 0.00 0.00 60.65 59.07 3kqx s ILE 101 Cb -0.27 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.33 3kqx s ILE 101 CO 0.35 0.09 0.09 -1.61 -1.23 0.00 0.00 174.94 172.62 3kqx s GLU 102 N 1.35 3.88 -0.26 2.79 2.02 -1.26 -4.97 118.70 122.24 3kqx s GLU 102 Ca -0.07 -0.38 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 3kqx s GLU 102 Cb -0.12 -3.34 -0.11 0.00 0.10 0.00 0.00 34.13 30.66 3kqx s GLU 102 CO -0.06 0.05 -0.35 0.66 0.02 0.00 0.00 175.26 175.58 3kqx n TYR 103 N 4.25 0.02 -2.53 1.61 4.02 -1.26 -4.82 117.16 118.46 3kqx n TYR 103 Ca -0.16 0.01 -0.41 0.00 -0.01 0.00 0.00 57.90 57.33 3kqx n TYR 103 Cb 0.52 -0.93 -0.03 0.00 -0.02 0.00 0.00 39.34 38.88 3kqx n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqx s ASN 104 N -7.26 6.17 0.24 7.72 -0.87 -1.26 -5.02 114.94 114.66 3kqx s ASN 104 Ca -0.37 -0.57 0.06 0.00 -1.57 0.00 0.00 52.86 50.41 3kqx s ASN 104 Cb 0.13 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.77 3kqx s ASN 104 CO 0.48 -1.82 0.25 0.42 -2.57 0.00 0.00 177.10 173.86 3kqx s THR 105 N 5.80 4.72 0.59 1.60 -4.23 -1.26 -4.96 115.64 117.90 3kqx s THR 105 Ca 0.38 -1.24 0.29 0.00 -1.18 0.00 0.00 61.69 59.94 3kqx s THR 105 Cb -0.07 -3.55 0.37 0.00 1.34 0.00 0.00 72.50 70.60 3kqx s THR 105 CO 0.11 -0.32 1.97 -0.65 -0.54 0.00 0.00 174.62 175.19 3kqx h PRO 106 N 1.46 0.00 -0.42 3.99 0.11 -2.00 -0.46 132.00 134.67 3kqx h PRO 106 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3kqx h PRO 106 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3kqx h PRO 106 CO 0.61 0.00 0.05 0.82 -0.21 0.00 0.00 178.00 179.27 3kqx h ILE 107 N 0.00 1.21 0.00 4.15 1.08 -1.94 -1.96 117.51 120.04 3kqx h ILE 107 Ca 0.17 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3kqx h ILE 107 Cb 0.92 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3kqx h ILE 107 CO -0.00 0.28 0.00 1.41 -0.69 0.00 0.00 178.15 179.15 3kqx n HIS 108 N -4.28 0.41 1.18 1.37 8.25 -0.18 -2.03 115.22 119.94 3kqx n HIS 108 Ca 0.02 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 3kqx n HIS 108 Cb 0.24 -0.80 0.25 0.00 1.12 0.00 0.00 29.99 30.80 3kqx n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqx n ASP 109 N -1.90 1.57 -4.64 0.41 8.00 -0.74 -4.90 116.55 114.36 3kqx n ASP 109 Ca 0.01 -1.26 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 3kqx n ASP 109 Cb 0.11 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.39 4.52 -0.24 0.53 1.01 -0.86 -4.81 121.20 118.95 3kqx s ILE 110 Ca 0.24 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.34 3kqx s ILE 110 Cb 0.19 -4.41 0.01 0.00 0.01 0.00 0.00 42.46 38.26 3kqx s ILE 110 CO 0.50 -0.47 1.03 -0.75 0.00 0.00 0.00 174.94 175.24 3kqx s LYS 111 N 3.63 4.24 -0.19 2.79 2.20 -0.21 -4.88 119.74 127.32 3kqx s LYS 111 Ca 0.45 1.31 -0.05 0.00 -0.36 0.00 0.00 55.97 57.33 3kqx s LYS 111 Cb -0.12 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 3kqx s LYS 111 CO 0.15 -0.64 -0.01 0.08 -0.36 0.00 0.00 175.35 174.56 3kqx s VAL 112 N 3.21 3.90 0.06 4.02 1.01 -1.26 -0.22 120.40 131.12 3kqx s VAL 112 Ca 0.43 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3kqx s VAL 112 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3kqx s VAL 112 CO 0.07 0.45 -0.15 -1.10 0.00 0.00 0.00 175.10 174.36 3kqx s GLN 113 N 0.83 0.94 -0.11 2.72 -1.52 -0.38 -4.99 119.66 117.15 3kqx s GLN 113 Ca 0.00 -0.87 0.03 0.00 -1.95 0.00 0.00 55.36 52.56 3kqx s GLN 113 Cb -0.14 -0.98 0.01 0.00 -0.22 0.00 0.00 33.01 31.67 3kqx s GLN 113 CO 0.02 0.23 -0.18 0.08 -0.25 0.00 0.00 175.29 175.19 3kqx s VAL 114 N -1.02 1.69 0.09 1.09 1.01 -1.26 -0.45 120.40 121.55 3kqx s VAL 114 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3kqx s VAL 114 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3kqx s VAL 114 CO 0.02 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.13 3kqx s TYR 115 N 0.74 1.42 0.15 5.22 1.51 0.17 -4.95 117.35 121.61 3kqx s TYR 115 Ca -0.11 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 3kqx s TYR 115 Cb -0.16 -0.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.84 3kqx s TYR 115 CO 0.02 0.12 1.07 0.34 -1.11 0.00 0.00 175.55 175.99 3kqx s ASP 116 N -1.93 7.32 0.45 2.29 -1.08 -1.26 -1.48 116.67 120.98 3kqx s ASP 116 Ca 0.03 2.00 0.11 0.00 -0.52 0.00 0.00 52.55 54.16 3kqx s ASP 116 Cb -0.09 -2.60 1.02 0.00 -1.46 0.00 0.00 42.92 39.79 3kqx s ASP 116 CO 0.03 -0.20 2.09 0.16 0.52 0.00 0.00 175.17 177.77 3kqx h ILE 117 N 3.88 1.07 -0.98 4.11 -0.00 -1.87 -1.95 117.51 121.76 3kqx h ILE 117 Ca -0.44 -0.15 0.14 0.00 -0.00 0.00 0.00 64.86 64.41 3kqx h ILE 117 Cb 1.21 0.74 -0.08 0.00 -0.00 0.00 0.00 36.82 38.68 3kqx h ILE 117 CO 0.73 0.07 0.62 0.07 -0.00 0.00 0.00 178.15 179.64 3kqx h LYS 118 N 0.32 0.87 -0.74 0.16 -0.00 -1.93 -2.12 116.57 113.12 3kqx h LYS 118 Ca 0.08 -0.05 0.20 0.00 -0.00 0.00 0.00 60.65 60.89 3kqx h LYS 118 Cb -0.02 -0.20 -0.03 0.00 -0.00 0.00 0.00 32.23 31.98 3kqx h LYS 118 CO -0.02 0.57 0.52 0.78 -0.00 0.00 0.00 179.45 181.31 3kqx h GLY 119 N 0.89 0.14 0.00 0.07 0.00 -1.75 -3.49 103.07 98.93 3kqx h GLY 119 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3kqx h GLY 119 CO -0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.88 3kqx n GLY 120 N -1.65 0.11 3.56 4.60 0.00 -0.80 -5.01 105.19 105.99 3kqx n GLY 120 Ca 0.15 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 0.99 6.68 -0.60 0.00 0.01 -1.26 -0.36 114.94 120.39 3kqx s ASN 122 Ca 0.04 0.81 -0.00 0.00 -0.71 0.00 0.00 52.86 53.00 3kqx s ASN 122 Cb -0.14 -2.29 0.15 0.00 0.41 0.00 0.00 41.25 39.38 3kqx s ASN 122 CO 0.03 -0.04 0.39 -0.69 -1.51 0.00 0.00 177.10 175.29 3kqx s VAL 123 N 0.81 3.32 -0.16 1.60 1.01 -1.26 -4.89 120.40 120.81 3kqx s VAL 123 Ca 0.26 -3.18 0.09 0.00 0.00 0.00 0.00 61.98 59.15 3kqx s VAL 123 Cb -0.15 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 3kqx s VAL 123 CO 0.10 -0.86 -0.04 -0.62 0.00 0.00 0.00 175.10 173.69 3kqx n GLU 124 N 3.25 1.14 -4.02 2.72 1.02 -1.26 -4.88 120.64 118.61 3kqx n GLU 124 Ca 0.08 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 3kqx n GLU 124 Cb 0.36 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqx s GLU 125 N -2.37 0.76 6.51 3.49 -1.05 -1.26 -4.85 118.70 119.92 3kqx s GLU 125 Ca -0.15 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 3kqx s GLU 125 Cb 0.05 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3kqx s GLU 125 CO 0.54 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.96 3kqx n GLY 126 N 0.01 3.35 3.16 -3.83 0.00 -1.26 -4.69 105.19 101.92 3kqx n GLY 126 Ca -0.13 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3kqx n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqx s LEU 127 N 0.00 1.94 -0.15 0.99 2.96 -0.20 -1.72 118.68 122.50 3kqx s LEU 127 Ca 0.00 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3kqx s LEU 127 Cb 0.00 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.61 3kqx s LEU 127 CO 0.00 0.16 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.10 3kqx s THR 128 N 0.10 1.96 -0.12 3.68 2.01 0.36 -0.30 115.64 123.33 3kqx s THR 128 Ca -0.07 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3kqx s THR 128 Cb -0.13 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.64 3kqx s THR 128 CO 0.03 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 3kqx s ILE 129 N 1.03 1.36 -0.25 1.82 -1.09 0.64 -0.47 121.20 124.24 3kqx s ILE 129 Ca -0.02 -0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 57.70 3kqx s ILE 129 Cb -0.14 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 3kqx s ILE 129 CO -0.06 0.42 0.41 -0.36 -1.23 0.00 0.00 174.94 174.12 3kqx s PHE 130 N 1.28 3.28 -0.59 3.97 0.40 -0.55 0.82 117.98 126.59 3kqx s PHE 130 Ca -0.01 0.52 -0.26 0.00 -0.60 0.00 0.00 56.93 56.58 3kqx s PHE 130 Cb -0.14 -2.60 0.04 0.00 0.51 0.00 0.00 43.02 40.83 3kqx s PHE 130 CO -0.05 -0.19 1.06 -0.51 0.70 0.00 0.00 175.22 176.23 3kqx s LEU 131 N 1.94 3.81 0.01 -0.37 1.43 0.16 -1.79 118.68 123.87 3kqx s LEU 131 Ca 0.18 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3kqx s LEU 131 Cb -0.15 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3kqx s LEU 131 CO 0.09 -1.39 -0.22 0.68 0.23 0.00 0.00 176.35 175.73 3kqx s VAL 132 N 4.48 1.79 0.32 -1.59 -7.23 -1.11 -1.60 120.40 115.46 3kqx s VAL 132 Ca 0.34 -1.09 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 3kqx s VAL 132 Cb -0.11 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.25 3kqx s VAL 132 CO 0.20 0.39 0.01 0.54 -0.31 0.00 0.00 175.10 175.94 3kqx s ASN 133 N -0.83 2.66 -0.39 4.85 2.20 -1.26 0.77 114.94 122.93 3kqx s ASN 133 Ca 0.09 -1.31 0.01 0.00 -0.94 0.00 0.00 52.86 50.70 3kqx s ASN 133 Cb -0.09 -0.15 0.13 0.00 -2.00 0.00 0.00 41.25 39.15 3kqx s ASN 133 CO 0.00 -0.50 0.21 0.21 -2.94 0.00 0.00 177.10 174.08 3kqx s ASN 134 N -3.49 3.46 0.05 3.54 3.04 -0.30 -4.88 114.94 116.35 3kqx s ASN 134 Ca 0.34 -2.35 -0.38 0.00 0.04 0.00 0.00 52.86 50.51 3kqx s ASN 134 Cb 0.07 -0.79 -0.18 0.00 -1.54 0.00 0.00 41.25 38.81 3kqx s ASN 134 CO 0.14 -0.30 1.19 -2.65 -3.04 0.00 0.00 177.10 172.45 3kqx n PRO 135 N 3.88 0.58 0.00 0.43 -0.02 -1.25 -4.35 135.00 134.26 3kqx n PRO 135 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3kqx n PRO 135 Cb 0.36 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3kqx n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 136 N 2.00 3.32 3.14 -1.23 0.00 -1.23 -5.07 105.19 106.12 3kqx n GLY 136 Ca 0.19 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 3kqx n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kqx n ASN 139 N 0.38 0.31 -4.27 1.61 5.03 -1.26 -4.98 115.26 112.07 3kqx n ASN 139 Ca 0.00 -2.06 -0.29 0.00 0.87 0.00 0.00 54.58 53.10 3kqx n ASN 139 Cb 0.00 -0.46 0.18 0.00 -1.02 0.00 0.00 39.78 38.48 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqx s GLY 140 N 5.43 1.64 0.38 7.41 0.00 -1.26 -4.49 107.32 116.42 3kqx s GLY 140 Ca 0.23 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 3kqx s GLY 140 CO 0.12 -0.14 0.79 2.56 0.00 0.00 0.00 173.10 176.43 3kqx s PRO 141 N -5.51 3.96 0.02 2.90 0.05 -1.26 0.47 135.00 135.63 3kqx s PRO 141 Ca 0.69 0.69 -0.30 0.00 0.05 0.00 0.00 61.00 62.13 3kqx s PRO 141 Cb -0.10 -2.36 -0.06 0.00 0.05 0.00 0.00 34.50 32.03 3kqx s PRO 141 CO 0.54 0.04 1.32 0.08 0.05 0.00 0.00 177.00 179.03 3kqx s VAL 142 N -2.18 3.81 -0.05 -0.36 1.01 0.14 -4.70 120.40 118.08 3kqx s VAL 142 Ca 0.55 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.77 3kqx s VAL 142 Cb -0.10 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3kqx s VAL 142 CO 0.22 0.03 -0.06 -0.54 0.00 0.00 0.00 175.10 174.76 3kqx s LYS 143 N 1.87 1.00 -0.14 2.72 1.02 -1.26 -3.58 119.74 121.36 3kqx s LYS 143 Ca 0.61 -0.15 -0.06 0.00 0.02 0.00 0.00 55.97 56.39 3kqx s LYS 143 Cb -0.31 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 3kqx s LYS 143 CO 0.27 -0.08 0.08 0.42 -0.92 0.00 0.00 175.35 175.12 3kqx s ILE 144 N 0.96 5.00 -0.10 2.17 1.09 -1.26 -4.96 121.20 124.10 3kqx s ILE 144 Ca -0.10 0.03 0.09 0.00 -1.10 0.00 0.00 60.65 59.57 3kqx s ILE 144 Cb -0.14 -3.19 -0.13 0.00 -1.06 0.00 0.00 42.46 37.94 3kqx s ILE 144 CO 0.00 0.56 0.04 -0.24 -0.10 0.00 0.00 174.94 175.20 3kqx n SER 145 N 2.58 2.44 -4.80 3.58 2.88 -1.26 -4.98 113.62 114.07 3kqx n SER 145 Ca -0.18 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.02 3kqx n SER 145 Cb 0.54 0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kqx s SER 146 N -4.24 6.27 0.01 -3.46 0.01 -1.26 -5.02 113.70 106.00 3kqx s SER 146 Ca -0.05 1.91 -0.30 0.00 1.31 0.00 0.00 55.95 58.82 3kqx s SER 146 Cb 0.03 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3kqx s SER 146 CO 0.43 -0.83 1.25 -1.59 0.41 0.00 0.00 173.24 172.90 3kqx s LYS 147 N -3.35 4.37 -0.20 12.44 0.00 -1.26 -4.94 119.74 126.79 3kqx s LYS 147 Ca 0.67 1.79 -0.02 0.00 0.00 0.00 0.00 55.97 58.40 3kqx s LYS 147 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 37.83 34.20 3kqx s LYS 147 CO 0.22 -0.40 -0.09 0.08 0.00 0.00 0.00 175.35 175.16 3kqx s VAL 148 N 1.77 3.03 -0.04 1.79 1.01 -1.26 0.16 120.40 126.86 3kqx s VAL 148 Ca 0.59 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3kqx s VAL 148 Cb -0.28 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3kqx s VAL 148 CO 0.26 0.46 2.65 0.59 0.00 0.00 0.00 175.10 179.06 3kqx n ASN 149 N 4.63 5.42 -3.59 3.32 3.02 0.51 -4.72 115.26 123.87 3kqx n ASN 149 Ca -0.19 -2.51 -0.02 0.00 -0.03 0.00 0.00 54.58 51.83 3kqx n ASN 149 Cb 0.51 -1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.38 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 1.82 -0.77 -1.26 6.41 2.15 -1.26 -4.82 116.67 118.94 3kqx s ASP 150 Ca 0.30 1.14 -0.14 0.00 0.43 0.00 0.00 52.55 54.28 3kqx s ASP 150 Cb 0.15 1.59 0.14 0.00 -0.30 0.00 0.00 42.92 44.50 3kqx s ASP 150 CO -0.01 -0.17 1.61 2.29 -0.17 0.00 0.00 175.17 178.72 3kqx n LYS 151 N 4.52 3.32 0.00 4.34 2.85 -1.26 -0.72 118.16 131.21 3kqx n LYS 151 Ca -0.15 -3.59 0.00 0.00 -1.05 0.00 0.00 58.31 53.51 3kqx n LYS 151 Cb 0.55 -3.17 0.00 0.00 -0.65 0.00 0.00 35.03 31.76 3kqx n LYS 151 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3kqx n VAL 153 N 4.98 0.00 -0.24 0.58 3.14 -1.26 -3.99 118.33 121.54 3kqx n VAL 153 Ca 0.41 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.78 3kqx n VAL 153 Cb 0.43 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.26 3kqx n VAL 153 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3kqx h SER 154 N 0.00 -0.85 -0.54 6.55 0.02 -1.22 0.49 113.55 117.99 3kqx h SER 154 Ca 0.00 0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3kqx h SER 154 Cb 0.00 0.50 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3kqx h SER 154 CO 0.00 -0.26 0.36 -0.33 -1.14 0.00 0.00 176.83 175.46 3kqx h GLU 155 N -0.06 0.42 -0.10 3.45 5.08 -1.82 -2.48 114.58 119.07 3kqx h GLU 155 Ca 0.31 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 3kqx h GLU 155 Cb 0.54 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kqx h GLU 155 CO -0.73 0.27 -0.71 0.35 -1.00 0.00 0.00 179.01 177.20 3kqx h PHE 156 N 0.43 0.60 -0.25 4.33 3.57 -1.26 -3.14 116.94 121.21 3kqx h PHE 156 Ca 0.24 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kqx h PHE 156 Cb 0.40 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3kqx h PHE 156 CO -0.00 1.02 0.00 1.28 -2.23 0.00 0.00 178.31 178.38 3kqx n LEU 157 N -3.86 1.66 -4.63 0.59 4.77 -0.43 -4.53 117.00 110.56 3kqx n LEU 157 Ca -0.04 -0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 54.73 3kqx n LEU 157 Cb 0.70 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3kqx n LEU 157 CO 0.48 0.39 0.68 0.29 -1.33 0.00 0.00 177.39 177.90 3kqx n LYS 158 N 0.36 1.60 -0.29 3.23 4.76 -0.97 -4.60 118.16 122.25 3kqx n LYS 158 Ca 0.13 0.56 0.10 0.00 -2.87 0.00 0.00 58.31 56.24 3kqx n LYS 158 Cb 0.29 -2.05 0.26 0.00 -1.84 0.00 0.00 35.03 31.69 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 2.05 0.28 -0.82 4.39 3.32 -1.92 -1.12 116.42 122.60 3kqx h ASP 159 Ca -0.43 0.14 0.20 0.00 0.02 0.00 0.00 57.03 56.97 3kqx h ASP 159 Cb 1.32 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.87 3kqx h ASP 159 CO 0.60 0.03 0.19 -0.33 -1.72 0.00 0.00 179.24 178.01 3kqx h GLU 160 N 0.40 0.22 0.14 3.56 3.07 -1.95 0.07 114.58 120.09 3kqx h GLU 160 Ca 0.51 -0.01 -0.29 0.00 -0.50 0.00 0.00 59.36 59.06 3kqx h GLU 160 Cb 0.90 -0.05 0.02 0.00 -0.84 0.00 0.00 28.75 28.78 3kqx h GLU 160 CO -0.50 0.14 -1.27 -2.95 -1.40 0.00 0.00 179.01 173.04 3kqx h ASN 161 N 0.22 0.72 0.30 1.42 7.08 -1.50 -3.35 115.58 120.48 3kqx h ASN 161 Ca 0.49 -0.70 -0.10 0.00 -3.08 0.00 0.00 56.30 52.91 3kqx h ASN 161 Cb 0.93 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 36.93 3kqx h ASN 161 CO -0.61 1.53 -0.40 0.24 -2.08 0.00 0.00 177.43 176.11 3kqx h MET 162 N 0.19 0.13 -0.04 4.14 0.00 -0.71 -3.01 114.93 115.63 3kqx h MET 162 Ca -0.18 -0.06 0.01 0.00 0.00 0.00 0.00 59.70 59.48 3kqx h MET 162 Cb 1.95 -0.00 -0.00 0.00 0.00 0.00 0.00 31.60 33.55 3kqx h MET 162 CO 0.23 0.51 0.12 0.93 0.00 0.00 0.00 176.91 178.71 3kqx h GLU 163 N 0.11 0.00 0.00 1.72 3.07 -1.06 -0.14 114.58 118.27 3kqx h GLU 163 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3kqx h GLU 163 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3kqx h GLU 163 CO 0.06 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 178.03 3kqx n LYS 164 N -3.29 0.15 -4.38 2.33 -0.00 -1.14 -4.73 118.16 107.11 3kqx n LYS 164 Ca -0.02 0.17 -0.27 0.00 -0.00 0.00 0.00 58.31 58.19 3kqx n LYS 164 Cb 0.20 -1.50 -0.11 0.00 -0.00 0.00 0.00 35.03 33.62 3kqx n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqx s PHE 165 N -2.70 2.40 0.31 5.58 0.40 -0.07 -5.07 117.98 118.83 3kqx s PHE 165 Ca 0.12 -0.32 0.10 0.00 -0.60 0.00 0.00 56.93 56.23 3kqx s PHE 165 Cb 0.10 -1.21 -0.06 0.00 0.51 0.00 0.00 43.02 42.37 3kqx s PHE 165 CO 0.24 0.47 -0.14 0.54 0.70 0.00 0.00 175.22 177.03 3kqx s ASN 166 N -2.57 3.62 -0.03 1.36 2.20 -1.26 -0.68 114.94 117.57 3kqx s ASN 166 Ca 0.20 -1.12 0.13 0.00 -0.94 0.00 0.00 52.86 51.13 3kqx s ASN 166 Cb -0.09 -0.32 0.44 0.00 -2.00 0.00 0.00 41.25 39.29 3kqx s ASN 166 CO 0.10 -0.10 1.34 0.52 -2.94 0.00 0.00 177.10 176.02 3kqx n VAL 167 N -0.71 0.89 -1.57 3.54 0.31 0.18 -4.73 118.33 116.24 3kqx n VAL 167 Ca -0.05 -0.69 -0.47 0.00 -0.01 0.00 0.00 64.34 63.12 3kqx n VAL 167 Cb 0.62 0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 33.68 3kqx n VAL 167 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kqx n LYS 168 N 0.77 1.12 -1.68 5.55 3.00 -1.26 -0.18 118.16 125.48 3kqx n LYS 168 Ca 0.16 0.40 -0.53 0.00 -0.00 0.00 0.00 58.31 58.34 3kqx n LYS 168 Cb 0.50 -1.81 -0.06 0.00 0.00 0.00 0.00 35.03 33.66 3kqx n LYS 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3kqx n LEU 169 N 1.72 2.65 0.00 3.14 0.00 -1.26 -1.16 117.00 122.09 3kqx n LEU 169 Ca 0.13 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.19 3kqx n LEU 169 Cb 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.46 3kqx n LEU 169 CO 0.60 -0.39 0.00 0.61 0.00 0.00 0.00 177.39 178.21 3kqx n GLY 170 N 3.99 1.32 3.77 -3.96 0.00 0.48 -4.93 105.19 105.86 3kqx n GLY 170 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.95 2.17 0.05 2.61 2.01 -0.31 -4.76 115.64 114.46 3kqx s THR 171 Ca 0.00 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 3kqx s THR 171 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3kqx s THR 171 CO 0.00 0.02 0.19 -0.94 -0.69 0.00 0.00 174.62 173.21 3kqx s SER 172 N -0.50 0.05 0.00 3.53 1.04 -1.26 0.66 113.70 117.22 3kqx s SER 172 Ca 0.59 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.50 3kqx s SER 172 Cb -0.43 0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3kqx s SER 172 CO 0.56 -0.60 0.16 -0.54 0.98 0.00 0.00 173.24 173.80 3kqx s LYS 173 N -2.87 0.51 0.00 4.02 1.02 -1.15 -5.02 119.74 116.24 3kqx s LYS 173 Ca -0.03 -0.37 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 3kqx s LYS 173 Cb 0.00 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 3kqx s LYS 173 CO -0.06 -0.12 0.28 -3.38 -0.92 0.00 0.00 175.35 171.15 3kqx s HIS 174 N -1.37 -0.12 -0.02 3.18 -3.43 -1.26 -1.86 115.29 110.40 3kqx s HIS 174 Ca -0.14 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.27 3kqx s HIS 174 Cb -0.07 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 3kqx s HIS 174 CO 0.02 -0.40 -0.07 -0.06 -2.00 0.00 0.00 174.74 172.23 3kqx s PHE 175 N -1.62 0.79 0.05 0.38 0.08 0.09 -4.96 117.98 112.79 3kqx s PHE 175 Ca -0.12 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.50 3kqx s PHE 175 Cb -0.05 -0.58 -0.06 0.00 -0.57 0.00 0.00 43.02 41.77 3kqx s PHE 175 CO 0.02 -0.09 0.76 0.71 -0.10 0.00 0.00 175.22 176.53 3kqx s TYR 176 N 0.22 3.75 0.22 0.36 2.02 -1.26 -1.28 117.35 121.37 3kqx s TYR 176 Ca -0.03 1.48 -0.17 0.00 -0.37 0.00 0.00 57.07 57.99 3kqx s TYR 176 Cb -0.08 -2.81 0.02 0.00 -0.40 0.00 0.00 41.96 38.69 3kqx s TYR 176 CO 0.00 0.29 0.53 0.00 -1.57 0.00 0.00 175.55 174.80 3kqx s MET 177 N -0.14 1.46 -0.03 -0.62 0.23 0.01 -5.00 119.30 115.21 3kqx s MET 177 Ca 0.38 -0.98 -0.13 0.00 -1.03 0.00 0.00 55.69 53.93 3kqx s MET 177 Cb -0.21 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 3kqx s MET 177 CO 0.23 -0.62 0.35 -0.59 -2.03 0.00 0.00 175.02 172.36 3kqx s PHE 178 N -3.91 3.70 0.00 3.16 -0.71 -1.26 0.02 117.98 118.98 3kqx s PHE 178 Ca 0.13 0.89 0.00 0.00 -1.04 0.00 0.00 56.93 56.90 3kqx s PHE 178 Cb -0.01 -2.21 0.00 0.00 -1.21 0.00 0.00 43.02 39.59 3kqx s PHE 178 CO 0.01 0.66 0.00 0.27 -1.34 0.00 0.00 175.22 174.83 3kqx n ASN 179 N 1.87 0.00 0.28 1.98 6.94 0.13 -4.81 115.26 121.64 3kqx n ASN 179 Ca -0.15 -0.77 0.18 0.00 -0.02 0.00 0.00 54.58 53.82 3kqx n ASN 179 Cb 0.53 0.00 0.95 0.00 -2.36 0.00 0.00 39.78 38.90 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 -0.37 0.53 3.32 -1.89 -2.03 116.42 115.98 3kqx h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kqx h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kqx h ASP 180 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3kqx n ASN 181 N -3.57 4.16 -2.05 6.45 3.02 -1.26 -4.93 115.26 117.09 3kqx n ASN 181 Ca -0.01 -2.79 -0.18 0.00 -0.03 0.00 0.00 54.58 51.57 3kqx n ASN 181 Cb 0.19 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3kqx n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqx n LYS 182 N 0.01 -1.69 -3.68 3.52 2.85 -0.76 -5.02 118.16 113.39 3kqx n LYS 182 Ca 0.21 0.84 -0.37 0.00 -1.05 0.00 0.00 58.31 57.94 3kqx n LYS 182 Cb 0.88 -5.31 -0.06 0.00 -0.65 0.00 0.00 35.03 29.89 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqx s ASN 183 N -2.27 6.60 -0.36 -5.58 0.01 -1.26 -4.78 114.94 107.30 3kqx s ASN 183 Ca 0.03 0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 52.60 3kqx s ASN 183 Cb -0.01 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3kqx s ASN 183 CO 0.03 0.32 1.46 -0.55 -1.51 0.00 0.00 177.10 176.85 3kqx s SER 184 N -1.28 6.36 0.14 -1.22 0.15 -1.26 0.19 113.70 116.77 3kqx s SER 184 Ca 0.23 1.05 0.08 0.00 0.70 0.00 0.00 55.95 58.01 3kqx s SER 184 Cb -0.14 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3kqx s SER 184 CO 0.12 -1.37 -0.09 -0.69 1.20 0.00 0.00 173.24 172.40 3kqx s VAL 185 N 5.36 3.31 -0.13 4.45 1.01 0.10 -4.47 120.40 130.03 3kqx s VAL 185 Ca 0.64 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3kqx s VAL 185 Cb -0.17 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3kqx s VAL 185 CO 0.30 0.01 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 3kqx s ALA 186 N -1.44 2.26 0.03 5.51 0.00 -0.70 -0.81 121.76 126.60 3kqx s ALA 186 Ca 0.23 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.23 3kqx s ALA 186 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3kqx s ALA 186 CO 0.15 0.09 -0.23 0.54 0.00 0.00 0.00 175.76 176.30 3kqx s VAL 187 N 0.64 1.84 0.01 0.00 0.11 -0.41 -0.49 120.40 122.11 3kqx s VAL 187 Ca -0.11 -1.18 -0.01 0.00 -2.93 0.00 0.00 61.98 57.75 3kqx s VAL 187 Cb -0.16 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 3kqx s VAL 187 CO 0.02 0.35 0.04 0.61 -3.33 0.00 0.00 175.10 172.79 3kqx n GLY 188 N 2.04 1.67 3.14 6.54 0.00 0.38 -0.73 105.19 118.23 3kqx n GLY 188 Ca -0.17 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -7.53 0.19 -0.13 1.61 1.13 -0.78 -1.48 117.35 110.36 3kqx s TYR 189 Ca 0.01 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 3kqx s TYR 189 Cb -0.00 -0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.72 3kqx s TYR 189 CO 0.00 -0.41 -0.15 0.08 -2.51 0.00 0.00 175.55 172.56 3kqx s VAL 190 N -2.92 2.85 0.03 -3.49 1.01 -0.74 -2.93 120.40 114.21 3kqx s VAL 190 Ca -0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3kqx s VAL 190 Cb 0.01 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 3kqx s VAL 190 CO -0.06 0.53 1.55 -0.83 0.00 0.00 0.00 175.10 176.29 3kqx s GLY 191 N 0.43 1.67 -0.31 4.51 0.00 0.21 -2.75 107.32 111.08 3kqx s GLY 191 Ca -0.11 1.05 0.10 0.00 0.00 0.00 0.00 44.72 45.76 3kqx s GLY 191 CO 0.05 2.75 1.61 0.00 0.00 0.00 0.00 173.10 177.52 3kqx n GLY 193 N -0.83 0.55 0.00 0.00 0.00 0.74 -4.45 105.19 101.21 3kqx n GLY 193 Ca 0.37 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.63 3kqx n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kqx n SER 194 N -2.11 1.10 -4.82 1.61 7.64 -1.26 -1.15 113.62 114.62 3kqx n SER 194 Ca 0.00 -0.52 -0.37 0.00 1.01 0.00 0.00 58.87 58.99 3kqx n SER 194 Cb 0.00 1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 64.28 3kqx n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kqx s VAL 195 N -2.17 4.71 -0.03 0.44 1.01 -1.26 -3.55 120.40 119.55 3kqx s VAL 195 Ca 0.02 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.90 3kqx s VAL 195 Cb 0.07 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3kqx s VAL 195 CO 0.42 0.33 0.95 0.00 0.00 0.00 0.00 175.10 176.80 3kqx h ALA 196 N 3.81 -0.33 -2.76 5.51 0.00 -1.95 -3.43 119.26 120.11 3kqx h ALA 196 Ca -0.49 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 53.62 3kqx h ALA 196 Cb 1.20 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 3kqx h ALA 196 CO 0.65 -0.41 -0.11 0.16 0.00 0.00 0.00 179.25 179.54 3kqx s ASP 197 N -5.27 6.49 -0.03 0.00 1.47 -1.26 -4.69 116.67 113.39 3kqx s ASP 197 Ca -0.12 0.59 -0.23 0.00 1.18 0.00 0.00 52.55 53.96 3kqx s ASP 197 Cb 0.01 -2.26 -0.04 0.00 -0.34 0.00 0.00 42.92 40.28 3kqx s ASP 197 CO 0.46 -0.15 0.68 -0.76 0.68 0.00 0.00 175.17 176.09 3kqx s LEU 198 N 1.56 4.37 0.71 2.11 1.02 -1.26 -5.06 118.68 122.13 3kqx s LEU 198 Ca 0.22 1.23 -0.12 0.00 0.02 0.00 0.00 54.13 55.47 3kqx s LEU 198 Cb -0.15 -3.07 0.02 0.00 0.02 0.00 0.00 46.19 43.02 3kqx s LEU 198 CO 0.09 -0.04 1.08 -0.94 0.02 0.00 0.00 176.35 176.57 3kqx s SER 199 N 0.39 4.96 0.31 2.29 1.04 -1.26 -4.86 113.70 116.57 3kqx s SER 199 Ca 0.36 1.81 0.08 0.00 0.48 0.00 0.00 55.95 58.68 3kqx s SER 199 Cb -0.18 -2.52 0.90 0.00 0.10 0.00 0.00 66.02 64.31 3kqx s SER 199 CO 0.19 -1.73 1.64 -0.08 0.98 0.00 0.00 173.24 174.24 3kqx h GLU 200 N -0.64 0.21 -0.42 4.02 4.22 -1.97 0.11 114.58 120.11 3kqx h GLU 200 Ca -0.45 -0.01 -0.14 0.00 0.08 0.00 0.00 59.36 58.84 3kqx h GLU 200 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3kqx h GLU 200 CO 0.54 0.14 -0.30 0.00 -2.18 0.00 0.00 179.01 177.21 3kqx h ALA 201 N 1.84 0.60 -0.57 2.92 0.00 -1.94 -1.41 119.26 120.70 3kqx h ALA 201 Ca 0.64 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kqx h ALA 201 Cb 1.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3kqx h ALA 201 CO -0.67 0.64 0.04 -0.44 0.00 0.00 0.00 179.25 178.83 3kqx h ASP 202 N 0.77 0.90 -0.36 0.00 3.45 -1.72 -2.63 116.42 116.84 3kqx h ASP 202 Ca 0.08 -0.22 -0.11 0.00 0.43 0.00 0.00 57.03 57.21 3kqx h ASP 202 Cb 0.88 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 3kqx h ASP 202 CO 0.08 0.94 -0.18 -0.03 -1.57 0.00 0.00 179.24 178.48 3kqx h MET 203 N 0.88 0.84 -0.62 3.56 4.05 -0.77 -2.13 114.93 120.74 3kqx h MET 203 Ca 0.17 -0.32 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 3kqx h MET 203 Cb 0.46 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 3kqx h MET 203 CO 0.02 0.95 0.37 0.87 0.23 0.00 0.00 176.91 179.35 3kqx h LYS 204 N 0.74 0.68 -0.70 0.39 6.56 -0.99 -0.24 116.57 123.01 3kqx h LYS 204 Ca 0.11 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.60 3kqx h LYS 204 Cb 0.70 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 3kqx h LYS 204 CO 0.05 0.45 0.23 0.00 -2.06 0.00 0.00 179.45 178.12 3kqx h ARG 205 N 0.70 1.06 0.02 3.15 3.08 -1.11 -0.82 114.38 120.47 3kqx h ARG 205 Ca 0.26 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kqx h ARG 205 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kqx h ARG 205 CO -0.13 0.90 -0.01 0.28 -1.07 0.00 0.00 179.97 179.94 3kqx h VAL 206 N 1.03 1.16 -0.74 2.04 2.07 -0.88 -2.76 116.25 118.17 3kqx h VAL 206 Ca 0.23 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3kqx h VAL 206 Cb 0.28 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3kqx h VAL 206 CO -0.01 0.14 0.43 0.58 0.02 0.00 0.00 177.57 178.73 3kqx h VAL 207 N -0.27 1.00 -0.82 2.57 2.07 -0.67 -2.29 116.25 117.85 3kqx h VAL 207 Ca -0.00 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3kqx h VAL 207 Cb 0.26 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 3kqx h VAL 207 CO 0.01 0.15 0.50 -0.07 0.02 0.00 0.00 177.57 178.17 3kqx h LEU 208 N 0.79 0.77 -0.49 2.57 3.38 -1.11 0.15 115.31 121.38 3kqx h LEU 208 Ca 0.32 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3kqx h LEU 208 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kqx h LEU 208 CO -0.17 0.49 -0.09 -1.28 0.09 0.00 0.00 178.44 177.47 3kqx h SER 209 N 0.90 0.93 -0.65 -0.43 0.87 -1.24 -0.03 113.55 113.90 3kqx h SER 209 Ca 0.36 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3kqx h SER 209 Cb 0.19 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3kqx h SER 209 CO -0.18 1.06 0.39 0.25 -0.53 0.00 0.00 176.83 177.82 3kqx h LEU 210 N 0.78 0.62 -0.42 2.23 5.85 -0.83 -2.94 115.31 120.60 3kqx h LEU 210 Ca 0.13 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 3kqx h LEU 210 Cb 0.64 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kqx h LEU 210 CO 0.04 0.42 -0.64 0.58 -0.34 0.00 0.00 178.44 178.50 3kqx h VAL 211 N 0.75 1.33 -0.85 1.05 2.07 -0.29 -2.02 116.25 118.30 3kqx h VAL 211 Ca 0.27 -1.94 0.12 0.00 0.82 0.00 0.00 66.70 65.97 3kqx h VAL 211 Cb 0.07 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3kqx h VAL 211 CO -0.13 0.60 0.47 0.74 0.02 0.00 0.00 177.57 179.27 3kqx h THR 212 N 0.40 0.83 -0.33 2.57 2.02 -0.96 0.69 112.91 118.14 3kqx h THR 212 Ca -0.01 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3kqx h THR 212 Cb 1.21 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3kqx h THR 212 CO 0.12 0.13 0.01 0.24 0.37 0.00 0.00 175.52 176.39 3kqx h MET 213 N 0.74 0.57 -0.76 6.66 2.07 -1.29 -2.99 114.93 119.93 3kqx h MET 213 Ca 0.43 -0.18 -0.00 0.00 -2.07 0.00 0.00 59.70 57.89 3kqx h MET 213 Cb 0.50 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.14 3kqx h MET 213 CO -0.30 0.69 0.47 -0.07 1.07 0.00 0.00 176.91 178.77 3kqx h LEU 214 N 0.38 0.90 -1.89 1.22 3.38 -0.58 -2.63 115.31 116.09 3kqx h LEU 214 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kqx h LEU 214 Cb 0.43 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kqx h LEU 214 CO 0.01 0.69 -0.03 0.45 0.09 0.00 0.00 178.44 179.66 3kqx h HIS 215 N 1.03 0.00 -0.22 1.13 3.86 -0.87 -2.73 115.15 117.35 3kqx h HIS 215 Ca 0.27 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3kqx h HIS 215 Cb -0.05 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.33 3kqx h HIS 215 CO -0.01 0.03 -0.37 -0.40 0.86 0.00 0.00 177.93 178.04 3kqx n ASP 216 N -3.18 2.42 -3.67 2.45 5.68 -1.01 -4.96 116.55 114.29 3kqx n ASP 216 Ca -0.01 -3.85 -0.19 0.00 -0.50 0.00 0.00 54.79 50.24 3kqx n ASP 216 Cb 0.25 -0.55 -0.17 0.00 -1.14 0.00 0.00 41.12 39.50 3kqx n ASP 216 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kqx s ASN 217 N -3.02 1.00 -0.65 -1.12 0.01 -1.03 -5.06 114.94 105.07 3kqx s ASN 217 Ca 0.42 0.16 -0.28 0.00 -0.71 0.00 0.00 52.86 52.46 3kqx s ASN 217 Cb 0.39 -0.01 0.02 0.00 0.41 0.00 0.00 41.25 42.07 3kqx s ASN 217 CO -0.04 -0.25 1.31 -0.54 -1.51 0.00 0.00 177.10 176.08 3kqx s LYS 218 N 2.20 3.28 -0.01 -0.60 3.01 -1.26 -4.87 119.74 121.48 3kqx s LYS 218 Ca 0.04 0.09 0.04 0.00 -1.01 0.00 0.00 55.97 55.13 3kqx s LYS 218 Cb -0.12 -4.13 -0.01 0.00 -1.01 0.00 0.00 37.83 32.56 3kqx s LYS 218 CO -0.04 -2.00 -0.14 -0.51 0.51 0.00 0.00 175.35 173.17 3kqx s LEU 219 N 5.74 2.00 -0.03 3.17 1.43 -1.26 -5.03 118.68 124.70 3kqx s LEU 219 Ca 0.42 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3kqx s LEU 219 Cb -0.09 -0.74 -0.25 0.00 0.03 0.00 0.00 46.19 45.15 3kqx s LEU 219 CO 0.20 0.17 0.72 0.77 0.23 0.00 0.00 176.35 178.44 3kqx h SER 220 N 5.87 0.19 -4.06 2.29 4.64 -1.92 -3.27 113.55 117.29 3kqx h SER 220 Ca -0.34 -0.34 -0.40 0.00 -0.47 0.00 0.00 61.79 60.24 3kqx h SER 220 Cb 1.16 -0.06 -0.29 0.00 -0.31 0.00 0.00 62.40 62.90 3kqx h SER 220 CO 0.49 1.29 -0.78 -0.75 -0.87 0.00 0.00 176.83 176.21 3kqx s LYS 221 N -2.61 0.76 -0.06 4.77 2.36 -1.26 -0.44 119.74 123.27 3kqx s LYS 221 Ca -0.09 -0.35 0.06 0.00 -2.55 0.00 0.00 55.97 53.05 3kqx s LYS 221 Cb 0.08 -0.74 -0.01 0.00 -1.05 0.00 0.00 37.83 36.11 3kqx s LYS 221 CO 0.82 0.20 -0.24 -1.17 1.55 0.00 0.00 175.35 176.51 3kqx s LEU 222 N -0.24 2.10 -0.05 5.43 2.96 -0.37 -1.03 118.68 127.49 3kqx s LEU 222 Ca 0.03 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3kqx s LEU 222 Cb -0.04 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3kqx s LEU 222 CO -0.00 0.25 -0.19 0.42 -1.32 0.00 0.00 176.35 175.50 3kqx s THR 223 N -0.17 1.61 -0.12 3.68 -4.23 0.59 -0.73 115.64 116.27 3kqx s THR 223 Ca -0.03 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 3kqx s THR 223 Cb -0.14 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 3kqx s THR 223 CO 0.04 0.46 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.72 3kqx s VAL 224 N -0.04 2.70 -0.29 2.29 1.01 0.45 -0.26 120.40 126.27 3kqx s VAL 224 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3kqx s VAL 224 Cb -0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3kqx s VAL 224 CO 0.02 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 175.01 3kqx s VAL 225 N 0.37 3.58 -0.76 2.92 1.01 0.24 -0.51 120.40 127.25 3kqx s VAL 225 Ca -0.13 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 3kqx s VAL 225 Cb -0.17 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.38 3kqx s VAL 225 CO 0.06 0.08 1.26 -0.36 0.00 0.00 0.00 175.10 176.15 3kqx s PHE 226 N 1.43 2.35 -0.30 5.22 0.40 0.37 0.37 117.98 127.82 3kqx s PHE 226 Ca 0.01 -0.18 0.09 0.00 -0.60 0.00 0.00 56.93 56.25 3kqx s PHE 226 Cb -0.17 -4.60 0.53 0.00 0.51 0.00 0.00 43.02 39.28 3kqx s PHE 226 CO 0.00 -2.02 1.51 0.39 0.70 0.00 0.00 175.22 175.80 3kqx n GLU 227 N 9.16 2.02 -4.39 0.44 1.02 -0.63 -4.77 120.64 123.49 3kqx n GLU 227 Ca 0.05 -3.13 -0.19 0.00 -0.02 0.00 0.00 57.16 53.87 3kqx n GLU 227 Cb 0.49 -1.86 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.21 1.06 -0.16 -3.67 -4.36 -1.19 -4.48 121.20 105.19 3kqx s ILE 228 Ca 0.46 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.72 3kqx s ILE 228 Cb 0.41 -2.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 3kqx s ILE 228 CO 0.02 -0.11 0.21 0.20 0.24 0.00 0.00 174.94 175.50 3kqx s ASN 229 N -3.40 6.36 -0.02 4.36 -0.87 -1.26 -5.09 114.94 115.02 3kqx s ASN 229 Ca 0.34 0.42 -0.00 0.00 -1.57 0.00 0.00 52.86 52.06 3kqx s ASN 229 Cb 0.07 -2.13 0.02 0.00 -0.02 0.00 0.00 41.25 39.20 3kqx s ASN 229 CO 0.13 0.20 0.02 0.68 -2.57 0.00 0.00 177.10 175.57 3kqx s VAL 230 N 0.04 -0.05 0.39 1.60 -7.23 -1.26 -4.78 120.40 109.11 3kqx s VAL 230 Ca 0.13 0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 60.25 3kqx s VAL 230 Cb -0.12 -0.07 -0.15 0.00 0.56 0.00 0.00 36.38 36.60 3kqx s VAL 230 CO 0.02 0.07 0.29 -0.67 -0.31 0.00 0.00 175.10 174.50 3kqx n ASP 231 N 3.93 -2.03 -0.20 4.85 4.64 -1.26 -4.75 116.55 121.73 3kqx n ASP 231 Ca -0.24 0.88 0.01 0.00 -1.38 0.00 0.00 54.79 54.06 3kqx n ASP 231 Cb 0.52 -0.97 0.11 0.00 -1.04 0.00 0.00 41.12 39.75 3kqx n ASP 231 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3kqx h LYS 232 N 0.55 0.20 -0.77 -0.67 1.57 -1.99 0.20 116.57 115.67 3kqx h LYS 232 Ca -0.37 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 3kqx h LYS 232 Cb 1.43 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 3kqx h LYS 232 CO 0.49 0.14 0.34 -0.91 -0.57 0.00 0.00 179.45 178.94 3kqx h ASN 233 N 0.21 1.03 0.24 0.86 2.35 -1.92 -0.81 115.58 117.54 3kqx h ASN 233 Ca 0.32 -0.14 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 3kqx h ASN 233 Cb 0.51 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3kqx h ASN 233 CO -0.45 0.89 -0.65 0.25 -1.65 0.00 0.00 177.43 175.82 3kqx h LEU 234 N 1.11 0.45 -0.22 1.61 5.85 -1.75 -1.17 115.31 121.19 3kqx h LEU 234 Ca 0.26 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3kqx h LEU 234 Cb 0.16 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3kqx h LEU 234 CO -0.03 0.98 -0.03 0.15 -0.34 0.00 0.00 178.44 179.17 3kqx h PHE 235 N 0.28 -0.07 -0.48 1.25 3.57 -0.35 -0.02 116.94 121.11 3kqx h PHE 235 Ca -0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3kqx h PHE 235 Cb 1.20 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3kqx h PHE 235 CO 0.04 -0.07 0.22 -0.09 -2.23 0.00 0.00 178.31 176.18 3kqx h ARG 236 N 0.03 0.42 -0.75 1.11 2.43 -0.79 -2.33 114.38 114.49 3kqx h ARG 236 Ca 0.10 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3kqx h ARG 236 Cb 0.15 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3kqx h ARG 236 CO -0.20 0.28 0.49 0.35 -1.51 0.00 0.00 179.97 179.38 3kqx h PHE 237 N 0.44 0.92 -0.41 2.20 3.57 -0.96 0.10 116.94 122.79 3kqx h PHE 237 Ca 0.22 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3kqx h PHE 237 Cb 0.16 -0.31 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 3kqx h PHE 237 CO -0.12 0.56 -0.28 0.35 -2.23 0.00 0.00 178.31 176.59 3kqx h PHE 238 N 0.98 -0.76 0.22 0.41 3.57 -0.47 -0.51 116.94 120.37 3kqx h PHE 238 Ca 0.29 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3kqx h PHE 238 Cb -0.06 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3kqx h PHE 238 CO -0.03 -0.35 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.53 3kqx h LEU 239 N -0.20 -0.25 -0.40 0.59 4.07 -0.87 -1.07 115.31 117.18 3kqx h LEU 239 Ca 0.19 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.16 3kqx h LEU 239 Cb 0.51 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 3kqx h LEU 239 CO -0.53 -0.11 0.05 -0.33 -1.08 0.00 0.00 178.44 176.44 3kqx h GLU 240 N -0.38 0.16 -0.32 1.13 5.08 -0.93 -0.94 114.58 118.40 3kqx h GLU 240 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3kqx h GLU 240 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kqx h GLU 240 CO 0.05 0.11 0.03 1.15 -1.00 0.00 0.00 179.01 179.35 3kqx h THR 241 N 0.17 1.24 -0.29 1.13 2.02 -1.01 -1.22 112.91 114.95 3kqx h THR 241 Ca 0.20 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.57 3kqx h THR 241 Cb 0.25 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 3kqx h THR 241 CO -0.28 0.29 -0.23 0.25 0.37 0.00 0.00 175.52 175.91 3kqx h LEU 242 N 0.35 -0.75 -0.01 2.58 5.85 -0.86 0.16 115.31 122.64 3kqx h LEU 242 Ca 0.09 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3kqx h LEU 242 Cb 0.39 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3kqx h LEU 242 CO 0.01 -0.26 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.54 3kqx h PHE 243 N -0.21 -0.11 -0.15 1.25 0.04 -1.06 0.03 116.94 116.74 3kqx h PHE 243 Ca 0.15 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3kqx h PHE 243 Cb 0.45 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3kqx h PHE 243 CO -0.41 -0.07 0.06 -0.92 -0.60 0.00 0.00 178.31 176.37 3kqx h TYR 244 N -0.07 0.22 -0.13 -0.55 3.20 -0.90 -1.48 116.97 117.25 3kqx h TYR 244 Ca 0.02 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3kqx h TYR 244 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3kqx h TYR 244 CO -0.12 0.28 -0.23 0.93 -1.64 0.00 0.00 178.16 177.37 3kqx h GLU 245 N 0.09 0.23 -0.12 1.82 4.39 -0.62 -3.16 114.58 117.21 3kqx h GLU 245 Ca 0.05 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3kqx h GLU 245 Cb 0.15 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3kqx h GLU 245 CO -0.00 0.46 -0.29 -0.92 -1.16 0.00 0.00 179.01 177.09 3kqx h TYR 246 N 0.21 0.53 -3.21 4.33 3.20 -0.83 -3.44 116.97 117.75 3kqx h TYR 246 Ca 0.04 -0.20 -0.53 0.00 3.14 0.00 0.00 58.73 61.18 3kqx h TYR 246 Cb 0.54 -0.09 0.05 0.00 1.54 0.00 0.00 36.73 38.76 3kqx h TYR 246 CO 0.01 0.91 0.78 1.41 -1.64 0.00 0.00 178.16 179.63 3kqx s MET 247 N -3.91 4.26 -0.03 1.82 1.75 -0.57 -5.02 119.30 117.60 3kqx s MET 247 Ca -0.14 2.29 0.07 0.00 -1.25 0.00 0.00 55.69 56.67 3kqx s MET 247 Cb 0.05 -3.13 -0.02 0.00 2.84 0.00 0.00 34.83 34.57 3kqx s MET 247 CO 0.78 -0.46 -0.24 0.95 -0.65 0.00 0.00 175.02 175.40 3kqx s THR 248 N 0.37 1.92 -0.49 10.11 -4.23 -1.26 -4.95 115.64 117.11 3kqx s THR 248 Ca 0.62 -1.03 -0.23 0.00 -1.18 0.00 0.00 61.69 59.88 3kqx s THR 248 Cb -0.42 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 71.86 3kqx s THR 248 CO 0.39 0.54 0.80 -0.62 -0.54 0.00 0.00 174.62 175.19 3kqx s ASP 249 N -0.49 6.36 -0.18 3.99 -1.08 -1.26 -4.91 116.67 119.10 3kqx s ASP 249 Ca 0.07 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 51.96 3kqx s ASP 249 Cb -0.10 -2.38 0.54 0.00 -1.46 0.00 0.00 42.92 39.52 3kqx s ASP 249 CO -0.00 -0.99 1.44 -0.62 0.52 0.00 0.00 175.17 175.52 3kqx n GLU 250 N 6.81 3.07 0.11 4.34 1.02 -1.26 -4.73 120.64 130.01 3kqx n GLU 250 Ca 0.01 -2.84 0.04 0.00 -0.02 0.00 0.00 57.16 54.35 3kqx n GLU 250 Cb 0.48 -1.86 0.46 0.00 -0.02 0.00 0.00 31.44 30.50 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 1.98 0.28 -0.48 3.49 3.08 -1.98 -2.41 114.38 118.33 3kqx h ARG 251 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kqx h ARG 251 Cb 1.46 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3kqx h ARG 251 CO 0.23 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.61 3kqx n PHE 252 N -4.40 0.64 -3.15 3.04 3.01 -1.26 -4.92 117.46 110.42 3kqx n PHE 252 Ca -0.00 -0.36 -0.36 0.00 1.01 0.00 0.00 57.45 57.73 3kqx n PHE 252 Cb 0.16 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.21 4.23 -0.31 -1.08 -0.14 -0.91 -5.27 119.74 115.05 3kqx s LYS 253 Ca 0.38 0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 55.80 3kqx s LYS 253 Cb 0.21 -2.95 0.18 0.00 -1.68 0.00 0.00 37.83 33.59 3kqx s LYS 253 CO 0.29 0.44 2.13 -1.13 -0.76 0.00 0.00 175.35 176.32 3kqx n SER 254 N 0.88 6.39 0.00 2.83 3.41 -1.26 -5.08 113.62 120.78 3kqx n SER 254 Ca -0.04 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 3kqx n SER 254 Cb 0.51 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3kqx n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kqx n GLU 262 N 0.52 0.00 -2.08 4.33 4.71 -1.26 -5.17 120.64 121.68 3kqx n GLU 262 Ca 0.31 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 57.14 3kqx n GLU 262 Cb 0.58 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.01 3kqx n GLU 262 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3kqx s TYR 263 N -1.12 3.31 0.62 -0.32 2.02 -1.26 -4.59 117.35 116.00 3kqx s TYR 263 Ca 0.00 1.44 -0.18 0.00 -0.37 0.00 0.00 57.07 57.96 3kqx s TYR 263 Cb 0.00 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.67 3kqx s TYR 263 CO 0.00 -0.76 1.03 0.44 -1.57 0.00 0.00 175.55 174.69 3kqx n ILE 264 N -2.15 4.02 0.44 2.71 -5.35 -1.23 -4.84 119.36 112.96 3kqx n ILE 264 Ca 0.07 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 62.10 3kqx n ILE 264 Cb 0.54 -1.22 -0.01 0.00 -1.74 0.00 0.00 39.64 37.20 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 -1.25 2.55 -4.01 6.28 4.01 0.41 -4.64 118.16 121.52 3kqx n LYS 265 Ca 0.14 -0.45 -0.14 0.00 -0.51 0.00 0.00 58.31 57.36 3kqx n LYS 265 Cb 0.48 -1.05 -0.14 0.00 -0.51 0.00 0.00 35.03 33.81 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3kqx s HIS 266 N -1.49 0.24 -0.14 2.13 3.76 -0.97 -1.04 115.29 117.77 3kqx s HIS 266 Ca 0.07 -0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3kqx s HIS 266 Cb 0.08 -0.17 0.04 0.00 1.11 0.00 0.00 32.58 33.64 3kqx s HIS 266 CO 0.29 -0.01 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.94 3kqx s LEU 267 N 0.00 1.41 -0.12 0.89 2.96 0.69 -1.23 118.68 123.28 3kqx s LEU 267 Ca 0.00 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3kqx s LEU 267 Cb -0.02 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 3kqx s LEU 267 CO -0.00 -0.17 0.05 -0.83 -1.32 0.00 0.00 176.35 174.08 3kqx s GLY 268 N 1.68 1.94 -0.11 7.98 0.00 0.09 -1.25 107.32 117.65 3kqx s GLY 268 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.02 3kqx s GLY 268 CO -0.08 -0.38 -0.19 0.14 0.00 0.00 0.00 173.10 172.59 3kqx s VAL 269 N -0.64 1.78 -0.32 1.40 1.01 0.40 -0.41 120.40 123.62 3kqx s VAL 269 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3kqx s VAL 269 Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3kqx s VAL 269 CO 0.02 0.50 0.07 -0.31 0.00 0.00 0.00 175.10 175.38 3kqx s TYR 270 N 0.68 3.22 0.06 5.22 1.51 0.33 0.41 117.35 128.78 3kqx s TYR 270 Ca -0.12 -1.42 -0.02 0.00 -1.01 0.00 0.00 57.07 54.50 3kqx s TYR 270 Cb -0.16 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3kqx s TYR 270 CO 0.03 -0.71 -0.04 1.51 -1.11 0.00 0.00 175.55 175.22 3kqx n ILE 271 N 4.78 1.15 0.00 2.71 0.13 -0.55 -0.48 119.36 127.10 3kqx n ILE 271 Ca -0.13 0.34 0.00 0.00 -1.10 0.00 0.00 62.75 61.86 3kqx n ILE 271 Cb 0.45 -1.63 0.00 0.00 -0.84 0.00 0.00 39.64 37.63 3kqx n ILE 271 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3kqx n ASN 272 N -3.51 0.00 -3.51 9.51 2.85 -1.26 -4.48 115.26 114.86 3kqx n ASN 272 Ca -0.02 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.21 3kqx n ASN 272 Cb 0.06 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.15 3kqx n ASN 272 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3kqx n ASN 273 N 0.00 -6.23 -0.44 1.20 3.02 -1.26 -4.88 115.26 106.68 3kqx n ASN 273 Ca 0.00 -0.51 0.36 0.00 -0.03 0.00 0.00 54.58 54.40 3kqx n ASN 273 Cb 0.00 -4.93 0.66 0.00 -0.61 0.00 0.00 39.78 34.90 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 1.01 2.82 -0.44 5.41 0.00 -1.90 -0.55 119.26 125.61 3kqx h ALA 274 Ca -0.56 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3kqx h ALA 274 Cb 1.37 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3kqx h ALA 274 CO 0.57 -1.36 0.24 0.38 0.00 0.00 0.00 179.25 179.08 3kqx h ASP 275 N 0.13 0.53 -0.03 0.00 3.04 -1.92 0.30 116.42 118.47 3kqx h ASP 275 Ca 0.76 -0.03 0.01 0.00 -3.24 0.00 0.00 57.03 54.52 3kqx h ASP 275 Cb 2.47 -0.13 -0.00 0.00 -1.04 0.00 0.00 39.33 40.62 3kqx h ASP 275 CO -0.29 0.43 0.07 0.74 -2.04 0.00 0.00 179.24 178.15 3kqx h THR 276 N 0.61 0.24 0.00 1.15 2.02 -1.46 -3.24 112.91 112.23 3kqx h THR 276 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3kqx h THR 276 Cb 0.02 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3kqx h THR 276 CO -0.03 0.00 -1.55 -1.22 0.37 0.00 0.00 175.52 173.09 3kqx n TYR 277 N -3.42 0.00 -0.31 3.16 4.01 0.07 -4.63 117.16 116.04 3kqx n TYR 277 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 3kqx n TYR 277 Cb 0.15 -0.30 0.26 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.95 -0.15 -0.72 6.56 -1.52 -1.32 116.57 120.36 3kqx h LYS 278 Ca 0.00 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.58 3kqx h LYS 278 Cb 0.68 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 3kqx h LYS 278 CO 0.00 0.63 0.18 1.05 -2.06 0.00 0.00 179.45 179.25 3kqx h GLU 279 N 0.97 0.00 0.00 3.15 -0.00 -1.82 -2.49 114.58 114.39 3kqx h GLU 279 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.78 3kqx h GLU 279 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 3kqx h GLU 279 CO -0.18 0.00 0.00 0.93 -0.00 0.00 0.00 179.01 179.76 3kqx h GLU 280 N 0.00 0.00 0.12 1.06 4.39 -1.55 -3.36 114.58 115.25 3kqx h GLU 280 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3kqx h GLU 280 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3kqx h GLU 280 CO -0.00 0.00 -0.06 0.28 -1.16 0.00 0.00 179.01 178.07 3kqx h VAL 281 N 0.00 1.06 -0.00 3.13 2.07 -1.57 -0.75 116.25 120.20 3kqx h VAL 281 Ca 0.00 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 3kqx h VAL 281 Cb 0.76 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3kqx h VAL 281 CO 0.00 0.23 -0.67 -0.33 0.02 0.00 0.00 177.57 176.82 3kqx h GLU 282 N -0.65 0.00 -0.70 1.57 4.39 -1.78 -1.98 114.58 115.44 3kqx h GLU 282 Ca -0.02 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kqx h GLU 282 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3kqx h GLU 282 CO 0.03 0.67 0.46 -0.22 -1.16 0.00 0.00 179.01 178.79 3kqx h LYS 283 N 0.00 0.93 -0.55 2.33 3.64 -1.69 -2.30 116.57 118.93 3kqx h LYS 283 Ca -0.01 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3kqx h LYS 283 Cb 1.18 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 3kqx h LYS 283 CO 0.09 0.62 0.28 0.00 -2.27 0.00 0.00 179.45 178.17 3kqx h ALA 284 N 1.25 0.72 -0.66 5.00 0.00 -0.58 0.13 119.26 125.11 3kqx h ALA 284 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3kqx h ALA 284 Cb -0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kqx h ALA 284 CO -0.05 -0.07 0.11 -0.09 0.00 0.00 0.00 179.25 179.15 3kqx h ARG 285 N 0.53 1.09 -0.24 0.00 2.43 -1.22 0.93 114.38 117.89 3kqx h ARG 285 Ca 0.25 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3kqx h ARG 285 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kqx h ARG 285 CO -0.18 1.00 0.01 0.28 -1.51 0.00 0.00 179.97 179.57 3kqx h VAL 286 N 1.01 1.25 -0.79 0.20 2.07 -0.97 -2.63 116.25 116.38 3kqx h VAL 286 Ca 0.20 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3kqx h VAL 286 Cb 0.43 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3kqx h VAL 286 CO 0.01 0.27 0.44 1.88 0.02 0.00 0.00 177.57 180.20 3kqx h TYR 287 N 0.21 1.07 -0.82 1.57 -1.99 -0.73 -0.12 116.97 116.16 3kqx h TYR 287 Ca 0.07 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.85 3kqx h TYR 287 Cb 0.39 -0.35 -0.05 0.00 2.00 0.00 0.00 36.73 38.72 3kqx h TYR 287 CO 0.03 0.73 0.54 -0.92 -0.00 0.00 0.00 178.16 178.54 3kqx h TYR 288 N 1.10 0.93 0.09 4.88 3.20 -0.82 -1.71 116.97 124.64 3kqx h TYR 288 Ca 0.28 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.86 3kqx h TYR 288 Cb 0.01 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3kqx h TYR 288 CO 0.01 0.49 -1.65 0.35 -1.64 0.00 0.00 178.16 175.72 3kqx h PHE 289 N 0.92 0.34 -0.73 -3.82 3.57 -0.87 -0.20 116.94 116.16 3kqx h PHE 289 Ca 0.35 -0.25 0.15 0.00 3.53 0.00 0.00 57.97 61.75 3kqx h PHE 289 Cb 0.20 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 3kqx h PHE 289 CO -0.00 1.37 0.23 0.78 -2.23 0.00 0.00 178.31 178.46 3kqx h GLY 290 N 2.00 1.06 0.98 2.40 0.00 -0.97 0.72 103.07 109.26 3kqx h GLY 290 Ca -0.28 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3kqx h GLY 290 CO 0.13 -0.15 -0.61 -0.84 0.00 0.00 0.00 176.54 175.07 3kqx h THR 291 N 0.34 1.34 -0.44 4.70 2.02 -1.08 -2.71 112.91 117.08 3kqx h THR 291 Ca 0.41 -1.89 -0.12 0.00 0.77 0.00 0.00 66.41 65.58 3kqx h THR 291 Cb 0.66 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3kqx h THR 291 CO -0.45 0.58 -0.19 0.22 0.37 0.00 0.00 175.52 176.05 3kqx h TYR 292 N 0.26 1.04 -0.57 3.16 3.20 -0.67 -1.51 116.97 121.89 3kqx h TYR 292 Ca -0.04 -0.25 0.05 0.00 3.14 0.00 0.00 58.73 61.62 3kqx h TYR 292 Cb 1.25 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 3kqx h TYR 292 CO 0.11 1.04 0.31 -0.92 -1.64 0.00 0.00 178.16 177.05 3kqx h TYR 293 N 0.74 0.56 -0.45 -3.82 3.20 0.41 0.22 116.97 117.84 3kqx h TYR 293 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3kqx h TYR 293 Cb 0.75 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3kqx h TYR 293 CO 0.05 0.28 0.13 0.00 -1.64 0.00 0.00 178.16 176.98 3kqx h ALA 294 N 1.29 0.60 -0.53 1.82 0.00 -1.36 -1.61 119.26 119.47 3kqx h ALA 294 Ca 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kqx h ALA 294 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 294 CO -0.15 0.27 0.20 1.03 0.00 0.00 0.00 179.25 180.59 3kqx h SER 295 N 0.60 0.69 -0.98 0.00 0.87 -1.02 -1.32 113.55 112.41 3kqx h SER 295 Ca 0.14 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3kqx h SER 295 Cb 0.29 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 3kqx h SER 295 CO -0.00 0.63 0.64 1.56 -0.53 0.00 0.00 176.83 179.13 3kqx h GLN 296 N 0.75 1.29 -0.32 2.24 4.20 0.35 -1.60 115.11 122.03 3kqx h GLN 296 Ca 0.18 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3kqx h GLN 296 Cb 0.16 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3kqx h GLN 296 CO -0.02 0.86 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.92 3kqx h LEU 297 N 1.33 0.57 -0.30 1.46 3.38 -0.79 -1.59 115.31 119.37 3kqx h LEU 297 Ca 0.36 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kqx h LEU 297 Cb -0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3kqx h LEU 297 CO -0.08 0.76 0.09 0.40 0.09 0.00 0.00 178.44 179.70 3kqx h ILE 298 N 0.37 1.21 -0.05 1.22 2.04 -1.08 -3.07 117.51 118.16 3kqx h ILE 298 Ca 0.09 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 3kqx h ILE 298 Cb 0.48 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3kqx h ILE 298 CO 0.02 0.22 -0.55 0.00 0.00 0.00 0.00 178.15 177.85 3kqx h ALA 299 N 0.92 1.00 -2.23 1.87 0.00 -1.34 -3.41 119.26 116.08 3kqx h ALA 299 Ca 0.10 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 3kqx h ALA 299 Cb 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kqx h ALA 299 CO -0.00 0.69 1.03 0.00 0.00 0.00 0.00 179.25 180.97 3kqx n ALA 300 N -2.45 1.37 -1.30 0.00 0.00 -0.60 -4.94 120.51 112.59 3kqx n ALA 300 Ca -0.02 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 3kqx n ALA 300 Cb 0.57 -2.49 0.22 0.00 0.00 0.00 0.00 19.45 17.74 3kqx n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kqx s PRO 301 N 2.92 -0.62 0.47 0.00 0.04 -1.26 -4.60 135.00 131.95 3kqx s PRO 301 Ca 0.86 -0.10 0.27 0.00 0.04 0.00 0.00 61.00 62.07 3kqx s PRO 301 Cb -0.62 -1.67 0.83 0.00 0.04 0.00 0.00 34.50 33.08 3kqx s PRO 301 CO 0.44 -3.30 1.78 0.77 0.04 0.00 0.00 177.00 176.73 3kqx h SER 302 N -2.29 0.00 0.79 6.66 0.02 -1.82 0.07 113.55 116.99 3kqx h SER 302 Ca -0.46 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 3kqx h SER 302 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3kqx h SER 302 CO 0.38 0.09 -0.40 -0.55 -1.14 0.00 0.00 176.83 175.21 3kqx h ASN 303 N 0.00 0.00 0.14 3.07 -1.07 -1.94 -3.30 115.58 112.48 3kqx h ASN 303 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 3kqx h ASN 303 Cb 0.80 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.05 3kqx h ASN 303 CO 0.01 0.40 -1.56 1.88 0.07 0.00 0.00 177.43 178.24 3kqx h TYR 304 N 0.00 0.53 -3.52 4.14 0.05 -1.61 -3.42 116.97 113.15 3kqx h TYR 304 Ca -0.00 -0.39 -0.69 0.00 0.05 0.00 0.00 58.73 57.70 3kqx h TYR 304 Cb 0.90 -0.02 -0.36 0.00 1.01 0.00 0.00 36.73 38.26 3kqx h TYR 304 CO 0.00 1.61 -0.43 0.00 -1.05 0.00 0.00 178.16 178.29 3kqx s ASN 306 N 0.81 3.79 0.38 0.00 2.20 -1.25 -4.37 114.94 116.49 3kqx s ASN 306 Ca 0.15 -1.68 0.08 0.00 -0.94 0.00 0.00 52.86 50.48 3kqx s ASN 306 Cb -0.21 0.57 0.74 0.00 -2.00 0.00 0.00 41.25 40.35 3kqx s ASN 306 CO -0.03 -0.90 1.90 -0.65 -2.94 0.00 0.00 177.10 174.48 3kqx h PRO 307 N 1.45 0.30 0.06 3.55 0.11 -1.87 0.34 132.00 135.94 3kqx h PRO 307 Ca -0.41 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kqx h PRO 307 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kqx h PRO 307 CO 0.69 0.42 -0.03 0.28 -0.21 0.00 0.00 178.00 179.14 3kqx h VAL 308 N 0.28 1.26 -0.57 3.15 2.07 -1.93 -2.82 116.25 117.69 3kqx h VAL 308 Ca 0.06 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3kqx h VAL 308 Cb 0.37 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3kqx h VAL 308 CO 0.02 0.31 0.21 0.77 0.02 0.00 0.00 177.57 178.90 3kqx h SER 309 N -0.68 0.76 -0.42 0.57 4.64 -1.81 -1.45 113.55 115.18 3kqx h SER 309 Ca -0.01 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 3kqx h SER 309 Cb 0.57 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3kqx h SER 309 CO 0.01 0.70 -0.18 0.25 -0.87 0.00 0.00 176.83 176.75 3kqx h LEU 310 N 0.82 0.88 -0.98 5.97 6.46 -1.03 -1.20 115.31 126.22 3kqx h LEU 310 Ca 0.19 -0.39 -0.08 0.00 -0.12 0.00 0.00 57.88 57.48 3kqx h LEU 310 Cb 0.20 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3kqx h LEU 310 CO -0.01 1.07 -0.15 0.77 -0.62 0.00 0.00 178.44 179.50 3kqx h SER 311 N 0.68 0.55 -0.84 1.25 4.64 -1.39 -2.59 113.55 115.85 3kqx h SER 311 Ca 0.10 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3kqx h SER 311 Cb 0.73 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 3kqx h SER 311 CO 0.06 0.72 0.55 0.78 -0.87 0.00 0.00 176.83 178.07 3kqx h ASN 312 N 0.51 0.92 -0.79 4.97 2.35 -1.04 -1.79 115.58 120.72 3kqx h ASN 312 Ca 0.09 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3kqx h ASN 312 Cb 0.56 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3kqx h ASN 312 CO 0.04 0.65 0.47 0.00 -1.65 0.00 0.00 177.43 176.94 3kqx h ALA 313 N 1.33 1.01 -0.56 -0.83 0.00 -1.16 0.11 119.26 119.16 3kqx h ALA 313 Ca 0.32 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kqx h ALA 313 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3kqx h ALA 313 CO -0.09 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 3kqx h ALA 314 N 1.25 0.76 -0.39 0.00 0.00 -1.22 -0.99 119.26 118.67 3kqx h ALA 314 Ca 0.28 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kqx h ALA 314 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kqx h ALA 314 CO -0.05 0.60 0.08 0.28 0.00 0.00 0.00 179.25 180.16 3kqx h VAL 315 N 0.89 1.23 -0.83 0.00 2.07 -1.01 -0.33 116.25 118.27 3kqx h VAL 315 Ca 0.16 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3kqx h VAL 315 Cb 0.55 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3kqx h VAL 315 CO 0.03 0.28 0.54 -0.08 0.02 0.00 0.00 177.57 178.36 3kqx h GLU 316 N 0.48 1.05 -0.58 1.57 4.81 -0.89 -0.31 114.58 120.72 3kqx h GLU 316 Ca 0.12 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3kqx h GLU 316 Cb 0.33 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3kqx h GLU 316 CO 0.00 0.69 0.20 1.25 -0.73 0.00 0.00 179.01 180.43 3kqx h LEU 317 N 1.08 0.83 -0.67 1.64 5.85 -0.91 -1.63 115.31 121.50 3kqx h LEU 317 Ca 0.32 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kqx h LEU 317 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3kqx h LEU 317 CO -0.09 0.80 0.41 0.00 -0.34 0.00 0.00 178.44 179.22 3kqx h ALA 318 N 1.06 0.85 -0.76 1.25 0.00 -0.60 -1.65 119.26 119.40 3kqx h ALA 318 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kqx h ALA 318 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kqx h ALA 318 CO -0.01 0.31 0.27 1.96 0.00 0.00 0.00 179.25 181.78 3kqx h GLN 319 N 0.90 1.16 0.00 0.00 4.20 -0.78 0.83 115.11 121.43 3kqx h GLN 319 Ca 0.24 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3kqx h GLN 319 Cb -0.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3kqx h GLN 319 CO -0.05 0.96 -0.27 0.87 -0.67 0.00 0.00 178.83 179.67 3kqx h LYS 320 N 1.12 0.00 -0.15 1.46 1.57 -0.99 -3.07 116.57 116.51 3kqx h LYS 320 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kqx h LYS 320 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kqx h LYS 320 CO -0.01 0.27 0.00 1.28 -0.57 0.00 0.00 179.45 180.41 3kqx n LEU 321 N -3.62 2.62 -3.84 2.94 4.77 -0.65 -4.98 117.00 114.24 3kqx n LEU 321 Ca -0.01 -1.25 -0.29 0.00 -0.03 0.00 0.00 56.01 54.43 3kqx n LEU 321 Cb 0.40 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3kqx n LEU 321 CO 0.34 0.53 0.13 0.59 -1.33 0.00 0.00 177.39 177.65 3kqx n ASN 322 N 0.94 -5.14 -4.89 -1.43 5.03 -0.02 -4.94 115.26 104.80 3kqx n ASN 322 Ca 0.11 -0.72 -0.29 0.00 0.87 0.00 0.00 54.58 54.56 3kqx n ASN 322 Cb 0.43 -4.09 -0.03 0.00 -1.02 0.00 0.00 39.78 35.08 3kqx n ASN 322 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kqx s LEU 323 N -7.27 3.89 0.42 3.41 1.43 0.08 -5.03 118.68 115.60 3kqx s LEU 323 Ca 0.65 0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.41 3kqx s LEU 323 Cb -0.32 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 3kqx s LEU 323 CO 0.80 -0.35 1.23 -0.70 0.23 0.00 0.00 176.35 177.56 3kqx s GLU 324 N -3.91 3.94 -0.00 1.70 2.12 -0.62 -4.58 118.70 117.35 3kqx s GLU 324 Ca 0.47 1.97 -0.11 0.00 0.36 0.00 0.00 54.97 57.66 3kqx s GLU 324 Cb -0.10 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.64 3kqx s GLU 324 CO 0.33 -0.45 0.23 1.52 -0.54 0.00 0.00 175.26 176.35 3kqx s TYR 325 N -1.36 -0.07 -0.19 5.30 -0.85 -1.26 -1.12 117.35 117.79 3kqx s TYR 325 Ca 0.58 0.07 -0.15 0.00 -0.52 0.00 0.00 57.07 57.05 3kqx s TYR 325 Cb -0.34 0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.08 3kqx s TYR 325 CO 0.42 -0.35 0.49 0.21 -1.52 0.00 0.00 175.55 174.81 3kqx s LYS 326 N -1.41 0.55 -0.19 -3.49 2.20 -0.38 -5.01 119.74 112.01 3kqx s LYS 326 Ca -0.14 0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 3kqx s LYS 326 Cb -0.06 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 3kqx s LYS 326 CO 0.03 -0.09 -0.14 0.42 -0.36 0.00 0.00 175.35 175.21 3kqx s ILE 327 N 0.58 2.58 -0.08 5.43 -1.09 -1.26 -1.43 121.20 125.93 3kqx s ILE 327 Ca -0.03 -0.77 -0.17 0.00 -2.23 0.00 0.00 60.65 57.46 3kqx s ILE 327 Cb -0.05 -2.12 -0.05 0.00 -1.58 0.00 0.00 42.46 38.66 3kqx s ILE 327 CO -0.03 0.50 0.46 -0.76 -1.23 0.00 0.00 174.94 173.87 3kqx s LEU 328 N 1.34 4.34 0.00 2.97 1.02 0.27 -4.89 118.68 123.72 3kqx s LEU 328 Ca 0.05 0.86 0.01 0.00 0.02 0.00 0.00 54.13 55.07 3kqx s LEU 328 Cb -0.14 -2.67 0.02 0.00 0.02 0.00 0.00 46.19 43.43 3kqx s LEU 328 CO -0.09 0.10 0.15 0.61 0.02 0.00 0.00 176.35 177.14 3kqx n GLY 329 N 2.85 1.76 0.30 -3.19 0.00 -1.26 -0.82 105.19 104.82 3kqx n GLY 329 Ca -0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.05 1.21 -0.63 1.61 2.07 -1.96 -1.39 116.25 117.11 3kqx h VAL 330 Ca -0.05 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3kqx h VAL 330 Cb 0.22 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3kqx h VAL 330 CO 0.07 0.23 0.14 0.11 0.02 0.00 0.00 177.57 178.14 3kqx h LYS 331 N 1.02 0.99 -0.21 1.57 6.56 -1.95 0.23 116.57 124.78 3kqx h LYS 331 Ca 0.27 -0.22 -0.16 0.00 -1.06 0.00 0.00 60.65 59.47 3kqx h LYS 331 Cb -0.02 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.50 3kqx h LYS 331 CO -0.05 0.88 -0.52 0.93 -2.06 0.00 0.00 179.45 178.63 3kqx h GLU 332 N 0.94 0.61 -0.60 3.15 5.08 -1.84 -2.15 114.58 119.78 3kqx h GLU 332 Ca 0.20 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3kqx h GLU 332 Cb 0.35 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3kqx h GLU 332 CO 0.00 0.99 0.14 -0.07 -1.00 0.00 0.00 179.01 179.07 3kqx h LEU 333 N 0.48 0.87 -0.33 1.33 3.38 -0.62 0.67 115.31 121.10 3kqx h LEU 333 Ca 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kqx h LEU 333 Cb 1.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3kqx h LEU 333 CO 0.10 0.85 0.12 -0.33 0.09 0.00 0.00 178.44 179.28 3kqx h GLU 334 N 0.89 0.49 -0.39 1.13 5.08 -0.84 -2.08 114.58 118.86 3kqx h GLU 334 Ca 0.19 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3kqx h GLU 334 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3kqx h GLU 334 CO -0.00 0.50 0.11 0.93 -1.00 0.00 0.00 179.01 179.55 3kqx h GLU 335 N 0.38 0.57 0.00 2.33 5.08 -0.70 -0.10 114.58 122.13 3kqx h GLU 335 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kqx h GLU 335 Cb 0.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kqx h GLU 335 CO -0.01 0.51 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 3kqx n LEU 336 N -4.34 0.00 -3.50 1.33 4.77 0.16 -4.92 117.00 110.49 3kqx n LEU 336 Ca 0.02 0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 3kqx n LEU 336 Cb 0.18 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 3kqx n LEU 336 CO 0.38 -0.00 0.15 0.29 -1.33 0.00 0.00 177.39 176.87 3kqx n LYS 337 N -1.05 -6.53 -1.61 3.23 5.02 -0.05 -4.68 118.16 112.50 3kqx n LYS 337 Ca 0.21 0.79 -0.40 0.00 -2.02 0.00 0.00 58.31 56.89 3kqx n LYS 337 Cb 0.12 -5.75 -0.01 0.00 -0.02 0.00 0.00 35.03 29.37 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqx n MET 338 N -4.65 3.47 0.26 1.97 2.81 -0.93 -2.12 117.12 117.94 3kqx n MET 338 Ca -0.02 -2.57 0.14 0.00 -1.81 0.00 0.00 57.70 53.45 3kqx n MET 338 Cb 0.57 -2.97 0.62 0.00 -0.71 0.00 0.00 33.22 30.72 3kqx n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqx h GLY 339 N 8.03 0.00 0.35 3.03 0.00 -1.79 -0.47 103.07 112.23 3kqx h GLY 339 Ca 0.71 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 3kqx h GLY 339 CO 1.79 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 178.28 3kqx h ALA 340 N 1.90 -0.11 -0.65 3.60 0.00 -1.84 -2.53 119.26 119.63 3kqx h ALA 340 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3kqx h ALA 340 Cb 0.57 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3kqx h ALA 340 CO 0.01 -0.24 0.35 -0.92 0.00 0.00 0.00 179.25 178.45 3kqx h TYR 341 N -0.77 0.64 -0.01 0.00 3.20 -1.63 -2.92 116.97 115.48 3kqx h TYR 341 Ca -0.01 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 3kqx h TYR 341 Cb 0.58 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3kqx h TYR 341 CO 0.12 0.30 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.21 3kqx h LEU 342 N 0.64 0.05 -1.13 2.82 3.38 -1.16 -3.10 115.31 116.82 3kqx h LEU 342 Ca 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kqx h LEU 342 Cb 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kqx h LEU 342 CO -0.19 0.69 0.36 0.28 0.09 0.00 0.00 178.44 179.67 3kqx h SER 343 N 0.03 0.87 -0.64 -0.43 0.02 -1.25 -2.15 113.55 109.99 3kqx h SER 343 Ca -0.01 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3kqx h SER 343 Cb 1.16 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 3kqx h SER 343 CO 0.09 0.71 0.15 0.58 -1.14 0.00 0.00 176.83 177.22 3kqx h VAL 344 N 0.97 1.26 0.00 2.27 2.07 -1.50 -2.65 116.25 118.67 3kqx h VAL 344 Ca 0.24 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kqx h VAL 344 Cb 0.05 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3kqx h VAL 344 CO -0.04 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.53 3kqx n GLY 345 N -0.70 -1.54 0.32 2.17 0.00 -0.97 -4.35 105.19 100.12 3kqx n GLY 345 Ca 0.05 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3kqx n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqx h LYS 346 N 0.00 0.55 -0.09 1.61 1.57 -1.02 -2.26 116.57 116.93 3kqx h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqx h LYS 346 Cb 0.54 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kqx h LYS 346 CO 0.00 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 3kqx n GLY 347 N -1.33 -0.28 3.85 3.86 0.00 -1.25 -4.53 105.19 105.51 3kqx n GLY 347 Ca 0.20 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.60 6.77 0.00 1.61 0.15 -0.85 -4.54 113.70 115.24 3kqx s SER 348 Ca 0.31 1.08 0.27 0.00 0.70 0.00 0.00 55.95 58.30 3kqx s SER 348 Cb 0.16 -2.29 1.28 0.00 -1.71 0.00 0.00 66.02 63.46 3kqx s SER 348 CO 0.25 0.00 1.90 1.15 1.20 0.00 0.00 173.24 177.74 3kqx n MET 349 N 0.34 0.25 -3.95 5.44 0.00 -1.26 -4.73 117.12 113.21 3kqx n MET 349 Ca -0.02 0.04 -0.35 0.00 0.00 0.00 0.00 57.70 57.36 3kqx n MET 349 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 3kqx n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqx s TYR 350 N -2.73 3.14 0.45 3.17 1.51 -1.26 -4.91 117.35 116.72 3kqx s TYR 350 Ca 0.21 -0.19 -0.25 0.00 -1.01 0.00 0.00 57.07 55.83 3kqx s TYR 350 Cb 0.18 -2.14 -0.08 0.00 -0.11 0.00 0.00 41.96 39.81 3kqx s TYR 350 CO 0.44 -0.11 1.35 -2.14 -1.11 0.00 0.00 175.55 173.99 3kqx s PRO 351 N 0.95 3.70 0.45 -1.71 0.02 -1.26 -4.78 135.00 132.37 3kqx s PRO 351 Ca 0.03 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.05 3kqx s PRO 351 Cb -0.14 -2.60 -0.08 0.00 0.02 0.00 0.00 34.50 31.70 3kqx s PRO 351 CO 0.03 -0.75 1.40 -0.80 -0.33 0.00 0.00 177.00 176.54 3kqx s ASN 352 N -0.72 5.87 -0.05 2.53 -0.87 -1.26 -4.45 114.94 115.98 3kqx s ASN 352 Ca 0.62 2.86 0.00 0.00 -1.57 0.00 0.00 52.86 54.76 3kqx s ASN 352 Cb -0.40 -2.65 0.02 0.00 -0.02 0.00 0.00 41.25 38.20 3kqx s ASN 352 CO 0.51 -1.17 -0.03 -0.54 -2.57 0.00 0.00 177.10 173.29 3kqx s LYS 353 N -2.48 0.76 -0.22 -0.60 -0.14 -1.01 -3.95 119.74 112.10 3kqx s LYS 353 Ca 0.62 -0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 55.11 3kqx s LYS 353 Cb -0.42 -0.86 -0.04 0.00 -1.68 0.00 0.00 37.83 34.83 3kqx s LYS 353 CO 0.54 -0.14 0.07 0.12 -0.76 0.00 0.00 175.35 175.18 3kqx s PHE 354 N 1.19 3.16 -0.13 3.18 2.19 -0.00 -1.62 117.98 125.95 3kqx s PHE 354 Ca -0.07 -0.17 -0.12 0.00 0.33 0.00 0.00 56.93 56.91 3kqx s PHE 354 Cb -0.14 -2.17 -0.05 0.00 -1.31 0.00 0.00 43.02 39.36 3kqx s PHE 354 CO -0.02 -0.11 0.26 0.42 1.83 0.00 0.00 175.22 177.60 3kqx s ILE 355 N 1.05 5.32 -0.26 3.12 1.01 0.25 -0.57 121.20 131.12 3kqx s ILE 355 Ca 0.04 0.48 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 3kqx s ILE 355 Cb -0.14 -3.57 0.11 0.00 0.01 0.00 0.00 42.46 38.86 3kqx s ILE 355 CO 0.03 0.48 0.20 -2.28 0.00 0.00 0.00 174.94 173.37 3kqx s HIS 356 N -0.14 -0.07 0.13 3.97 2.46 -0.51 -1.51 115.29 119.61 3kqx s HIS 356 Ca 0.16 -0.37 0.04 0.00 0.47 0.00 0.00 55.06 55.37 3kqx s HIS 356 Cb -0.13 -0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 31.65 3kqx s HIS 356 CO 0.05 -0.78 0.09 -0.51 -2.47 0.00 0.00 174.74 171.12 3kqx s LEU 357 N 2.23 3.74 -0.03 8.88 1.02 -0.15 -1.25 118.68 133.13 3kqx s LEU 357 Ca 0.08 -0.11 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 3kqx s LEU 357 Cb -0.15 -2.39 0.03 0.00 0.02 0.00 0.00 46.19 43.70 3kqx s LEU 357 CO -0.28 0.12 0.03 -0.89 0.02 0.00 0.00 176.35 175.35 3kqx s THR 358 N -1.57 0.00 -0.11 5.49 2.01 -0.27 -0.19 115.64 120.99 3kqx s THR 358 Ca 0.30 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 3kqx s THR 358 Cb -0.11 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 3kqx s THR 358 CO 0.22 0.12 0.05 -0.47 -0.69 0.00 0.00 174.62 173.85 3kqx s TYR 359 N 1.19 3.30 -0.05 4.92 5.04 0.22 -1.59 117.35 130.38 3kqx s TYR 359 Ca -0.08 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 3kqx s TYR 359 Cb -0.13 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.32 3kqx s TYR 359 CO -0.03 0.49 -0.03 0.15 -1.34 0.00 0.00 175.55 174.80 3kqx s LYS 360 N -0.71 0.71 0.75 4.97 1.02 -1.26 -0.65 119.74 124.57 3kqx s LYS 360 Ca 0.12 -0.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.93 3kqx s LYS 360 Cb -0.12 -0.82 0.05 0.00 -0.52 0.00 0.00 37.83 36.42 3kqx s LYS 360 CO 0.02 -0.14 1.23 -1.54 -0.92 0.00 0.00 175.35 174.00 3kqx s SER 361 N 1.16 3.94 -0.23 2.83 1.04 -0.53 -4.96 113.70 116.96 3kqx s SER 361 Ca -0.07 2.42 -0.07 0.00 0.48 0.00 0.00 55.95 58.71 3kqx s SER 361 Cb -0.14 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 3kqx s SER 361 CO -0.01 -2.43 0.07 -0.54 0.98 0.00 0.00 173.24 171.30 3kqx s LYS 362 N -3.92 3.79 0.00 4.02 -0.14 -1.26 -4.46 119.74 117.77 3kqx s LYS 362 Ca 0.76 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 3kqx s LYS 362 Cb -0.31 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 3kqx s LYS 362 CO 0.47 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 3kqx n GLY 363 N 4.42 0.73 3.68 -3.33 0.00 -1.26 -5.05 105.19 104.39 3kqx n GLY 363 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3kqx n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqx s ASP 364 N -2.42 3.88 0.20 1.61 1.47 -1.26 -5.13 116.67 115.01 3kqx s ASP 364 Ca 0.00 -1.54 -0.30 0.00 1.18 0.00 0.00 52.55 51.89 3kqx s ASP 364 Cb 0.00 0.16 -0.08 0.00 -0.34 0.00 0.00 42.92 42.66 3kqx s ASP 364 CO 0.00 -0.70 0.96 -0.69 0.68 0.00 0.00 175.17 175.42 3kqx s VAL 365 N -2.86 4.17 -0.03 2.11 1.01 -1.26 -4.94 120.40 118.61 3kqx s VAL 365 Ca 0.19 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.23 3kqx s VAL 365 Cb 0.05 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3kqx s VAL 365 CO 0.10 0.42 -0.11 -0.54 0.00 0.00 0.00 175.10 174.98 3kqx s LYS 366 N -0.77 1.14 0.04 2.72 1.02 -1.26 -4.31 119.74 118.32 3kqx s LYS 366 Ca 0.43 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 3kqx s LYS 366 Cb -0.26 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 3kqx s LYS 366 CO 0.32 0.13 1.17 -1.59 -0.92 0.00 0.00 175.35 174.45 3kqx s LYS 367 N 0.21 4.44 -0.11 1.68 0.00 -0.93 -4.82 119.74 120.21 3kqx s LYS 367 Ca -0.04 1.71 -0.19 0.00 0.00 0.00 0.00 55.97 57.45 3kqx s LYS 367 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 37.83 34.30 3kqx s LYS 367 CO 0.01 -0.26 0.52 0.15 0.00 0.00 0.00 175.35 175.77 3kqx s LYS 368 N 1.23 4.35 -0.02 1.78 1.02 -1.26 -1.41 119.74 125.43 3kqx s LYS 368 Ca 0.57 0.53 0.01 0.00 0.02 0.00 0.00 55.97 57.11 3kqx s LYS 368 Cb -0.28 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 3kqx s LYS 368 CO 0.28 0.13 -0.04 0.42 -0.92 0.00 0.00 175.35 175.22 3kqx s ILE 369 N 0.70 0.40 -0.14 2.17 1.01 -0.39 -0.25 121.20 124.70 3kqx s ILE 369 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3kqx s ILE 369 Cb -0.16 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 3kqx s ILE 369 CO 0.12 0.16 -0.09 0.00 0.00 0.00 0.00 174.94 175.13 3kqx s ALA 370 N 0.46 2.80 -0.21 9.38 0.00 -0.56 -1.19 121.76 132.44 3kqx s ALA 370 Ca -0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3kqx s ALA 370 Cb -0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3kqx s ALA 370 CO -0.00 0.21 -0.01 -0.51 0.00 0.00 0.00 175.76 175.45 3kqx s LEU 371 N 0.39 3.14 -0.16 0.00 1.43 0.23 -1.14 118.68 122.57 3kqx s LEU 371 Ca -0.07 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3kqx s LEU 371 Cb -0.15 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3kqx s LEU 371 CO 0.04 0.02 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 3kqx s VAL 372 N 1.24 2.32 -0.05 -1.59 1.01 -0.22 -0.49 120.40 122.61 3kqx s VAL 372 Ca 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3kqx s VAL 372 Cb -0.15 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3kqx s VAL 372 CO 0.00 0.53 -0.19 -0.83 0.00 0.00 0.00 175.10 174.62 3kqx s GLY 373 N 0.95 1.43 0.15 4.51 0.00 -0.06 -0.71 107.32 113.59 3kqx s GLY 373 Ca -0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.36 3kqx s GLY 373 CO -0.04 -0.72 1.62 1.25 0.00 0.00 0.00 173.10 175.21 3kqx s LYS 374 N -0.48 4.19 -0.53 2.90 2.20 -0.62 -3.97 119.74 123.43 3kqx s LYS 374 Ca 0.06 2.41 0.07 0.00 -0.36 0.00 0.00 55.97 58.15 3kqx s LYS 374 Cb -0.12 -3.24 0.33 0.00 -1.51 0.00 0.00 37.83 33.30 3kqx s LYS 374 CO 0.01 -0.66 0.88 0.41 -0.36 0.00 0.00 175.35 175.62 3kqx n GLY 375 N 3.86 5.05 3.54 5.54 0.00 -1.26 -1.04 105.19 120.89 3kqx n GLY 375 Ca 0.15 -2.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.80 4.83 0.24 -0.61 -1.09 -0.95 -1.73 121.20 118.09 3kqx s ILE 376 Ca 0.46 0.31 0.09 0.00 -2.23 0.00 0.00 60.65 59.27 3kqx s ILE 376 Cb 0.28 -4.17 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 3kqx s ILE 376 CO -0.12 -0.51 1.54 0.71 -1.23 0.00 0.00 174.94 175.34 3kqx h THR 377 N 5.81 1.48 -3.31 2.92 1.35 -1.57 -2.04 112.91 117.56 3kqx h THR 377 Ca -0.26 -2.31 -0.24 0.00 -0.55 0.00 0.00 66.41 63.05 3kqx h THR 377 Cb 1.10 2.24 -0.31 0.00 -1.73 0.00 0.00 68.15 69.46 3kqx h THR 377 CO 0.88 0.66 -0.60 0.12 -0.25 0.00 0.00 175.52 176.33 3kqx s PHE 378 N -3.48 -0.15 -0.45 4.73 5.36 -1.26 -4.40 117.98 118.33 3kqx s PHE 378 Ca -0.01 0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 56.36 3kqx s PHE 378 Cb 0.12 -0.06 0.12 0.00 -0.34 0.00 0.00 43.02 42.86 3kqx s PHE 378 CO 0.78 -0.14 0.25 0.34 -1.46 0.00 0.00 175.22 174.99 3kqx s ASP 379 N 0.92 5.23 0.10 6.13 -1.08 -1.21 -0.80 116.67 125.96 3kqx s ASP 379 Ca -0.07 -2.21 0.21 0.00 -0.52 0.00 0.00 52.55 49.97 3kqx s ASP 379 Cb -0.09 -1.83 0.87 0.00 -1.46 0.00 0.00 42.92 40.41 3kqx s ASP 379 CO -0.04 -0.50 1.67 -1.54 0.52 0.00 0.00 175.17 175.27 3kqx n SER 380 N 4.35 0.29 0.00 -0.34 3.41 -0.66 -4.82 113.62 115.85 3kqx n SER 380 Ca -0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3kqx n SER 380 Cb 0.40 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3kqx n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqx n GLY 381 N 0.48 2.59 7.00 5.00 0.00 -1.26 -0.88 105.19 118.12 3kqx n GLY 381 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.35 -0.02 0.00 -1.26 -1.99 105.19 100.45 3kqx n GLY 382 Ca 0.00 -0.91 0.17 0.00 0.00 0.00 0.00 46.02 45.28 3kqx n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqx h TYR 383 N 0.00 0.00 0.00 1.61 0.05 -1.83 0.12 116.97 116.92 3kqx h TYR 383 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 3kqx h TYR 383 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3kqx h TYR 383 CO 0.00 0.00 1.70 0.09 -1.05 0.00 0.00 178.16 178.90 3kqx n ASN 384 N -4.36 5.93 -4.54 3.88 4.13 -1.25 -5.00 115.26 114.06 3kqx n ASN 384 Ca 0.06 -2.40 -0.46 0.00 1.68 0.00 0.00 54.58 53.46 3kqx n ASN 384 Cb 0.46 -1.29 -0.02 0.00 -1.54 0.00 0.00 39.78 37.39 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqx n LEU 385 N 3.25 0.91 -4.39 3.41 7.94 0.03 -4.59 117.00 123.55 3kqx n LEU 385 Ca 0.52 1.16 -0.33 0.00 -1.11 0.00 0.00 56.01 56.25 3kqx n LEU 385 Cb 0.46 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.17 3kqx n LEU 385 CO 0.49 -1.82 1.68 0.29 -1.11 0.00 0.00 177.39 176.93 3kqx n LYS 386 N 0.97 1.73 -0.00 1.96 5.02 -0.06 -4.48 118.16 123.31 3kqx n LYS 386 Ca 0.13 -2.42 0.05 0.00 -2.02 0.00 0.00 58.31 54.04 3kqx n LYS 386 Cb 0.28 -3.55 -0.06 0.00 -0.02 0.00 0.00 35.03 31.68 3kqx n LYS 386 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 387 N 12.46 3.00 -1.77 7.82 0.00 -1.26 -4.59 120.51 136.18 3kqx n ALA 387 Ca 0.46 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 3kqx n ALA 387 Cb 0.45 -0.34 -0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.12 3.11 -0.00 0.00 0.00 -1.26 -4.96 121.76 116.53 3kqx s ALA 388 Ca 0.02 1.15 -0.37 0.00 0.00 0.00 0.00 51.96 52.75 3kqx s ALA 388 Cb 0.07 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3kqx s ALA 388 CO 0.40 -0.84 1.49 -2.30 0.00 0.00 0.00 175.76 174.51 3kqx n PRO 389 N -0.20 1.31 0.00 0.00 -0.02 -1.26 -2.10 135.00 132.72 3kqx n PRO 389 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3kqx n PRO 389 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.12 0.73 0.08 -1.23 0.00 -1.26 -4.92 105.19 101.71 3kqx n GLY 390 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3kqx n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 391 N 0.00 0.60 -3.81 1.61 3.41 -0.89 -4.94 113.62 109.59 3kqx n SER 391 Ca 0.00 0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 58.87 3kqx n SER 391 Cb 0.00 -0.72 0.02 0.00 -0.26 0.00 0.00 64.21 63.25 3kqx n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqx n MET 392 N -2.06 -2.04 -0.25 4.33 2.81 -1.26 -4.89 117.12 113.76 3kqx n MET 392 Ca 0.06 0.41 0.21 0.00 -1.81 0.00 0.00 57.70 56.57 3kqx n MET 392 Cb 0.40 -4.18 0.55 0.00 -0.71 0.00 0.00 33.22 29.27 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 -1.93 0.63 0.00 2.02 2.10 -1.92 -1.93 117.51 116.48 3kqx h ILE 393 Ca -0.65 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3kqx h ILE 393 Cb 1.37 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 3kqx h ILE 393 CO 0.54 0.06 0.00 -0.90 -1.08 0.00 0.00 178.15 176.77 3kqx n ASP 394 N -4.49 0.50 -0.25 2.19 5.75 -1.26 -2.16 116.55 116.84 3kqx n ASP 394 Ca 0.20 0.64 0.12 0.00 -0.01 0.00 0.00 54.79 55.74 3kqx n ASP 394 Cb 0.78 -0.74 0.29 0.00 -1.03 0.00 0.00 41.12 40.42 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 -2.07 1.11 0.00 -2.12 7.94 -0.72 -4.63 117.00 116.51 3kqx n LEU 395 Ca 0.02 -0.31 0.14 0.00 -1.11 0.00 0.00 56.01 54.75 3kqx n LEU 395 Cb 0.19 -0.11 0.78 0.00 0.53 0.00 0.00 43.42 44.81 3kqx n LEU 395 CO 0.17 0.21 0.99 0.23 -1.11 0.00 0.00 177.39 177.88 3kqx n MET 396 N -0.68 0.69 0.30 1.96 2.81 -0.92 -0.93 117.12 120.36 3kqx n MET 396 Ca 0.11 0.01 0.19 0.00 -1.81 0.00 0.00 57.70 56.19 3kqx n MET 396 Cb 0.36 -1.50 0.97 0.00 -0.71 0.00 0.00 33.22 32.34 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 -1.82 -2.37 116.57 114.51 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 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 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 -3.19 0.00 1.69 0.07 -0.00 -0.10 -3.96 117.46 111.97 3kqx n PHE 398 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.47 3kqx n PHE 398 Cb 0.26 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 39.87 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 -0.88 0.54 -0.70 5.98 2.03 -0.90 -1.46 116.55 121.16 3kqx n ASP 399 Ca 0.18 -1.91 0.07 0.00 0.52 0.00 0.00 54.79 53.65 3kqx n ASP 399 Cb 0.08 -0.06 0.20 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.25 2.82 -0.33 -0.67 0.00 -0.77 -2.23 117.12 115.70 3kqx n MET 400 Ca 0.06 -2.44 0.11 0.00 0.00 0.00 0.00 57.70 55.43 3kqx n MET 400 Cb 0.10 -1.55 0.32 0.00 0.00 0.00 0.00 33.22 32.08 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 1.70 0.79 -0.26 3.17 0.02 -1.43 0.18 113.55 117.71 3kqx h SER 401 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3kqx h SER 401 Cb 1.08 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3kqx h SER 401 CO 0.11 0.37 0.04 1.23 -1.14 0.00 0.00 176.83 177.44 3kqx h GLY 402 N 0.82 0.47 0.86 -3.77 0.00 -1.75 0.96 103.07 100.65 3kqx h GLY 402 Ca 0.51 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3kqx h GLY 402 CO -0.28 0.29 0.18 0.00 0.00 0.00 0.00 176.54 176.74 3kqx h ALA 404 N 1.17 0.56 -0.52 0.00 0.00 -0.50 -0.58 119.26 119.40 3kqx h ALA 404 Ca 0.14 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3kqx h ALA 404 Cb 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3kqx h ALA 404 CO -0.09 -0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.15 3kqx h ALA 405 N 1.24 0.60 -0.18 0.00 0.00 -0.48 0.15 119.26 120.59 3kqx h ALA 405 Ca 0.19 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3kqx h ALA 405 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kqx h ALA 405 CO -0.13 -0.30 -0.34 0.28 0.00 0.00 0.00 179.25 178.76 3kqx h VAL 406 N 0.25 1.28 -0.04 0.00 2.07 -0.62 -1.10 116.25 118.10 3kqx h VAL 406 Ca 0.26 -1.39 -0.24 0.00 0.82 0.00 0.00 66.70 66.16 3kqx h VAL 406 Cb 0.36 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3kqx h VAL 406 CO -0.34 0.43 -0.93 -0.07 0.02 0.00 0.00 177.57 176.69 3kqx h LEU 407 N 0.31 0.75 -1.15 2.57 4.07 -0.50 -1.95 115.31 119.41 3kqx h LEU 407 Ca 0.04 -0.56 -0.04 0.00 0.08 0.00 0.00 57.88 57.39 3kqx h LEU 407 Cb 0.75 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3kqx h LEU 407 CO 0.06 1.36 0.12 1.23 -1.08 0.00 0.00 178.44 180.13 3kqx h GLY 408 N 0.81 0.78 1.03 0.83 0.00 -0.60 -1.79 103.07 104.13 3kqx h GLY 408 Ca -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3kqx h GLY 408 CO 0.17 0.40 0.43 0.00 0.00 0.00 0.00 176.54 177.55 3kqx h ALA 410 N 1.23 1.37 0.18 0.00 0.00 -0.61 0.26 119.26 121.68 3kqx h ALA 410 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kqx h ALA 410 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kqx h ALA 410 CO -0.04 0.55 -0.14 -0.92 0.00 0.00 0.00 179.25 178.70 3kqx h TYR 411 N 1.08 -0.36 -0.50 0.00 3.20 -0.91 0.45 116.97 119.93 3kqx h TYR 411 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3kqx h TYR 411 Cb -0.06 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3kqx h TYR 411 CO 0.00 -0.22 0.18 0.00 -1.64 0.00 0.00 178.16 176.49 3kqx h VAL 413 N 0.67 1.22 -0.24 0.00 2.07 -0.37 0.10 116.25 119.70 3kqx h VAL 413 Ca 0.16 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3kqx h VAL 413 Cb 0.22 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3kqx h VAL 413 CO -0.01 0.25 -0.10 1.23 0.02 0.00 0.00 177.57 178.96 3kqx h GLY 414 N 0.46 0.42 0.33 2.17 0.00 0.03 0.14 103.07 106.60 3kqx h GLY 414 Ca 0.12 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 3kqx h GLY 414 CO -0.00 0.25 -0.71 -0.84 0.00 0.00 0.00 176.54 175.23 3kqx h THR 415 N 0.36 1.43 0.00 4.70 2.02 -1.12 -3.36 112.91 116.95 3kqx h THR 415 Ca 0.07 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.86 3kqx h THR 415 Cb 0.41 3.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3kqx h THR 415 CO 0.02 0.62 -0.00 -0.07 0.37 0.00 0.00 175.52 176.46 3kqx h LEU 416 N -0.66 0.00 -3.18 2.58 3.38 -0.89 -3.49 115.31 113.05 3kqx h LEU 416 Ca -0.15 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.41 3kqx h LEU 416 Cb 1.40 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.23 3kqx h LEU 416 CO 0.03 0.00 -0.90 0.29 0.09 0.00 0.00 178.44 177.95 3kqx n LYS 417 N -3.10 -1.26 -1.45 1.13 5.02 0.47 -4.94 118.16 114.03 3kqx n LYS 417 Ca 0.04 0.53 -0.35 0.00 -2.02 0.00 0.00 58.31 56.50 3kqx n LYS 417 Cb 0.51 -4.18 0.10 0.00 -0.02 0.00 0.00 35.03 31.44 3kqx n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqx n PRO 418 N -3.98 0.69 -2.43 1.97 -0.04 -1.26 -5.01 135.00 124.93 3kqx n PRO 418 Ca -0.10 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 3kqx n PRO 418 Cb 0.59 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3kqx n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqx s GLU 419 N -3.70 3.57 -1.47 0.54 2.02 -1.26 -4.50 118.70 113.91 3kqx s GLU 419 Ca 0.79 0.37 -0.12 0.00 0.02 0.00 0.00 54.97 56.03 3kqx s GLU 419 Cb -0.34 -2.29 0.05 0.00 0.10 0.00 0.00 34.13 31.65 3kqx s GLU 419 CO 0.45 -0.30 1.03 0.09 0.02 0.00 0.00 175.26 176.55 3kqx n ASN 420 N -2.34 -5.47 -3.81 -0.19 3.02 -1.26 -4.97 115.26 100.23 3kqx n ASN 420 Ca 0.02 -0.65 -0.12 0.00 -0.03 0.00 0.00 54.58 53.80 3kqx n ASN 420 Cb 0.55 -4.34 -0.12 0.00 -0.61 0.00 0.00 39.78 35.26 3kqx n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqx s VAL 421 N -3.29 0.01 -0.16 2.41 0.11 -1.26 -2.20 120.40 116.02 3kqx s VAL 421 Ca 0.61 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.59 3kqx s VAL 421 Cb -0.29 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3kqx s VAL 421 CO 0.76 -0.05 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.58 3kqx s GLU 422 N -0.09 2.95 -0.09 1.54 2.12 -0.50 -1.45 118.70 123.19 3kqx s GLU 422 Ca -0.02 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.52 3kqx s GLU 422 Cb -0.02 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.90 3kqx s GLU 422 CO 0.00 -0.13 -0.17 0.42 -0.54 0.00 0.00 175.26 174.84 3kqx s ILE 423 N 1.11 1.57 -0.24 -3.70 1.01 0.17 -1.26 121.20 119.86 3kqx s ILE 423 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3kqx s ILE 423 Cb -0.14 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3kqx s ILE 423 CO -0.08 0.45 0.09 -1.00 0.00 0.00 0.00 174.94 174.39 3kqx s HIS 424 N 0.60 3.14 -0.35 3.97 3.76 -0.33 -0.61 115.29 125.48 3kqx s HIS 424 Ca -0.15 -0.23 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 3kqx s HIS 424 Cb -0.16 -2.22 0.02 0.00 1.11 0.00 0.00 32.58 31.32 3kqx s HIS 424 CO 0.05 -0.22 0.16 -0.06 -0.85 0.00 0.00 174.74 173.82 3kqx s PHE 425 N 1.36 3.22 -0.02 1.40 0.08 0.73 -0.60 117.98 124.15 3kqx s PHE 425 Ca 0.05 -1.01 0.07 0.00 0.12 0.00 0.00 56.93 56.17 3kqx s PHE 425 Cb -0.15 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3kqx s PHE 425 CO 0.04 -0.63 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.79 3kqx s LEU 426 N 1.52 2.05 -0.16 -0.37 1.43 0.36 -0.98 118.68 122.53 3kqx s LEU 426 Ca 0.02 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3kqx s LEU 426 Cb -0.19 -1.22 0.06 0.00 0.03 0.00 0.00 46.19 44.87 3kqx s LEU 426 CO 0.05 0.29 0.38 -0.55 0.23 0.00 0.00 176.35 176.75 3kqx s SER 427 N -0.57 -0.42 -0.73 2.29 0.15 -0.57 -0.88 113.70 112.97 3kqx s SER 427 Ca 0.09 0.83 -0.21 0.00 0.70 0.00 0.00 55.95 57.36 3kqx s SER 427 Cb -0.09 0.77 0.09 0.00 -1.71 0.00 0.00 66.02 65.08 3kqx s SER 427 CO -0.01 -0.19 0.98 0.00 1.20 0.00 0.00 173.24 175.22 3kqx s ALA 428 N 1.54 3.22 0.06 5.45 0.00 -1.26 -0.58 121.76 130.19 3kqx s ALA 428 Ca -0.08 -2.16 -0.17 0.00 0.00 0.00 0.00 51.96 49.55 3kqx s ALA 428 Cb -0.09 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.09 3kqx s ALA 428 CO -0.12 -2.79 0.51 0.08 0.00 0.00 0.00 175.76 173.44 3kqx s VAL 429 N 3.49 4.86 0.13 0.00 1.01 -0.64 -4.02 120.40 125.25 3kqx s VAL 429 Ca 0.24 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.98 3kqx s VAL 429 Cb -0.14 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.52 3kqx s VAL 429 CO 0.04 0.50 1.09 0.00 0.00 0.00 0.00 175.10 176.73 3kqx s GLU 431 N -2.29 1.26 -0.53 0.00 2.12 -1.26 -1.62 118.70 116.39 3kqx s GLU 431 Ca 0.21 -0.48 -0.10 0.00 0.36 0.00 0.00 54.97 54.96 3kqx s GLU 431 Cb -0.02 -1.17 0.13 0.00 0.26 0.00 0.00 34.13 33.34 3kqx s GLU 431 CO 0.03 0.25 0.41 1.21 -0.54 0.00 0.00 175.26 176.62 3kqx s ASN 432 N -0.12 5.83 0.39 -1.70 2.47 0.02 -4.40 114.94 117.44 3kqx s ASN 432 Ca 0.01 -2.05 0.08 0.00 0.42 0.00 0.00 52.86 51.32 3kqx s ASN 432 Cb -0.08 -2.05 -0.08 0.00 -1.45 0.00 0.00 41.25 37.60 3kqx s ASN 432 CO 0.00 -0.68 -0.01 -0.04 -3.72 0.00 0.00 177.10 172.65 3kqx s MET 433 N 1.17 1.93 -0.20 0.43 -1.94 -1.26 -1.65 119.30 117.77 3kqx s MET 433 Ca 0.07 -2.07 -0.06 0.00 -1.71 0.00 0.00 55.69 51.92 3kqx s MET 433 Cb -0.25 -1.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 3kqx s MET 433 CO -0.01 -0.01 0.04 0.08 -0.01 0.00 0.00 175.02 175.11 3kqx s VAL 434 N -2.69 4.36 0.20 -6.03 1.01 -1.26 -4.57 120.40 111.41 3kqx s VAL 434 Ca 0.34 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 3kqx s VAL 434 Cb 0.08 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.53 3kqx s VAL 434 CO 0.18 0.42 0.81 -0.55 0.00 0.00 0.00 175.10 175.96 3kqx s SER 435 N 0.83 -0.27 0.55 3.32 0.15 -1.26 -4.98 113.70 112.04 3kqx s SER 435 Ca 0.02 -0.42 0.27 0.00 0.70 0.00 0.00 55.95 56.52 3kqx s SER 435 Cb -0.14 0.60 1.58 0.00 -1.71 0.00 0.00 66.02 66.36 3kqx s SER 435 CO 0.02 -1.09 2.16 0.07 1.20 0.00 0.00 173.24 175.60 3kqx h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -3.05 116.57 121.07 3kqx h LYS 436 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3kqx h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kqx h LYS 436 CO 0.26 0.06 -0.13 0.09 -2.00 0.00 0.00 179.45 177.73 3kqx n ASN 437 N -3.86 1.39 -4.74 7.07 5.03 -1.26 -4.98 115.26 113.91 3kqx n ASN 437 Ca -0.03 -1.26 -0.35 0.00 0.87 0.00 0.00 54.58 53.81 3kqx n ASN 437 Cb 0.15 0.08 0.06 0.00 -1.02 0.00 0.00 39.78 39.05 3kqx n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqx s SER 438 N -2.24 4.76 0.64 6.41 0.01 -1.16 -3.78 113.70 118.34 3kqx s SER 438 Ca 0.31 2.38 -0.17 0.00 1.31 0.00 0.00 55.95 59.77 3kqx s SER 438 Cb 0.20 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3kqx s SER 438 CO 0.42 -1.89 1.17 -0.72 0.41 0.00 0.00 173.24 172.63 3kqx s TYR 439 N -1.77 2.41 0.10 2.43 1.13 -1.26 -4.89 117.35 115.51 3kqx s TYR 439 Ca 0.76 1.55 0.07 0.00 -1.41 0.00 0.00 57.07 58.04 3kqx s TYR 439 Cb -0.30 -3.36 -0.04 0.00 -1.10 0.00 0.00 41.96 37.16 3kqx s TYR 439 CO 0.39 -2.06 -0.08 1.03 -2.51 0.00 0.00 175.55 172.31 3kqx s ARG 440 N -3.68 2.21 0.39 -3.49 0.52 -1.26 -4.67 118.95 108.97 3kqx s ARG 440 Ca 0.73 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 54.70 3kqx s ARG 440 Cb -0.26 -2.35 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 3kqx s ARG 440 CO 0.37 0.52 1.15 -2.30 0.02 0.00 0.00 175.30 175.06 3kqx n PRO 441 N 0.72 1.69 0.00 3.54 -0.02 -1.26 -1.41 135.00 138.26 3kqx n PRO 441 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3kqx n PRO 441 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 0.98 3.18 3.73 -1.23 0.00 0.09 -5.04 105.19 106.90 3kqx n GLY 442 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kqx n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 443 N -0.75 4.53 -0.18 1.61 1.01 -0.50 -4.52 116.67 117.86 3kqx s ASP 443 Ca 0.00 2.61 -0.01 0.00 0.71 0.00 0.00 52.55 55.85 3kqx s ASP 443 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3kqx s ASP 443 CO 0.00 -2.05 -0.11 -0.63 0.21 0.00 0.00 175.17 172.58 3kqx s ILE 444 N -1.45 2.92 0.25 0.77 1.01 -1.26 -1.37 121.20 122.07 3kqx s ILE 444 Ca 0.82 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.89 3kqx s ILE 444 Cb -0.37 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3kqx s ILE 444 CO 0.40 0.48 -0.14 0.27 0.00 0.00 0.00 174.94 175.96 3kqx s ILE 445 N 1.07 1.95 -0.13 2.92 -4.36 -0.73 -4.92 121.20 117.01 3kqx s ILE 445 Ca -0.00 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.17 3kqx s ILE 445 Cb -0.15 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3kqx s ILE 445 CO -0.03 -0.46 -0.22 -0.89 0.24 0.00 0.00 174.94 173.58 3kqx s THR 446 N -2.83 2.09 0.68 8.37 2.01 -1.26 -1.05 115.64 123.65 3kqx s THR 446 Ca 0.26 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 3kqx s THR 446 Cb -0.01 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.69 3kqx s THR 446 CO 0.11 0.55 1.07 0.00 -0.69 0.00 0.00 174.62 175.65 3kqx s ALA 447 N 0.64 2.97 -0.45 7.40 0.00 -0.10 -2.56 121.76 129.66 3kqx s ALA 447 Ca -0.11 -0.36 0.19 0.00 0.00 0.00 0.00 51.96 51.68 3kqx s ALA 447 Cb -0.16 -2.98 0.92 0.00 0.00 0.00 0.00 23.12 20.90 3kqx s ALA 447 CO 0.02 -1.05 1.58 -1.13 0.00 0.00 0.00 175.76 175.18 3kqx n SER 448 N -2.93 0.49 -0.83 0.00 3.41 -0.90 -0.81 113.62 112.05 3kqx n SER 448 Ca 0.06 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 3kqx n SER 448 Cb 0.57 -0.76 0.24 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 -2.10 2.42 0.00 4.04 6.94 -1.26 -4.92 115.26 120.37 3kqx n ASN 449 Ca 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 3kqx n ASN 449 Cb 0.11 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3kqx n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqx n GLY 450 N 1.24 1.13 3.71 4.83 0.00 0.01 -5.03 105.19 111.06 3kqx n GLY 450 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kqx n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s LYS 451 N -0.60 4.53 0.26 1.61 1.02 -1.25 -4.76 119.74 120.54 3kqx s LYS 451 Ca 0.00 1.39 -0.24 0.00 0.02 0.00 0.00 55.97 57.14 3kqx s LYS 451 Cb 0.00 -3.48 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 3kqx s LYS 451 CO 0.00 -0.10 0.84 0.95 -0.92 0.00 0.00 175.35 176.12 3kqx s THR 452 N 1.21 4.35 -0.04 2.17 -4.23 -1.26 -0.92 115.64 116.91 3kqx s THR 452 Ca 0.51 1.63 0.02 0.00 -1.18 0.00 0.00 61.69 62.67 3kqx s THR 452 Cb -0.20 -3.99 0.01 0.00 1.34 0.00 0.00 72.50 69.66 3kqx s THR 452 CO 0.26 0.24 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.87 3kqx s ILE 453 N -1.49 0.75 -0.20 2.99 1.01 -0.22 -1.99 121.20 122.05 3kqx s ILE 453 Ca 0.45 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 3kqx s ILE 453 Cb -0.19 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3kqx s ILE 453 CO 0.24 0.26 0.39 -0.70 0.00 0.00 0.00 174.94 175.12 3kqx s GLU 454 N 0.57 4.18 -0.23 2.79 2.12 -0.05 -1.77 118.70 126.31 3kqx s GLU 454 Ca -0.09 0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 3kqx s GLU 454 Cb -0.12 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 3kqx s GLU 454 CO 0.01 -0.02 0.88 0.08 -0.54 0.00 0.00 175.26 175.67 3kqx s VAL 455 N 1.26 4.80 -0.51 3.70 1.01 -0.47 -1.51 120.40 128.68 3kqx s VAL 455 Ca 0.19 1.69 0.19 0.00 0.00 0.00 0.00 61.98 64.05 3kqx s VAL 455 Cb -0.15 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 3kqx s VAL 455 CO 0.08 -0.09 0.64 0.61 0.00 0.00 0.00 175.10 176.33 3kqx n GLY 456 N 3.62 -0.82 3.53 4.51 0.00 -1.26 -0.73 105.19 114.04 3kqx n GLY 456 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.41 -1.09 0.00 1.61 3.84 -1.26 -4.76 114.94 109.88 3kqx s ASN 457 Ca 0.01 1.33 0.19 0.00 0.21 0.00 0.00 52.86 54.60 3kqx s ASN 457 Cb 0.13 2.17 0.82 0.00 -0.55 0.00 0.00 41.25 43.83 3kqx s ASN 457 CO 0.79 -0.21 1.59 0.35 -2.79 0.00 0.00 177.10 176.83 3kqx n THR 458 N 5.38 0.67 1.34 -5.21 -2.24 -1.26 -1.52 114.28 111.44 3kqx n THR 458 Ca -0.10 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 3kqx n THR 458 Cb 0.50 -0.85 0.53 0.00 -2.10 0.00 0.00 70.33 68.41 3kqx n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqx n ASP 459 N -1.46 0.64 -2.60 3.42 2.03 -0.84 -3.65 116.55 114.08 3kqx n ASP 459 Ca 0.05 -0.65 -0.33 0.00 0.52 0.00 0.00 54.79 54.38 3kqx n ASP 459 Cb 0.20 -0.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.60 3kqx n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqx n ALA 460 N -0.87 6.36 0.15 -1.67 0.00 -0.58 -4.68 120.51 119.22 3kqx n ALA 460 Ca 0.13 -3.45 0.03 0.00 0.00 0.00 0.00 53.44 50.16 3kqx n ALA 460 Cb 0.30 -1.97 0.08 0.00 0.00 0.00 0.00 19.45 17.87 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 2.74 0.00 -0.61 0.00 9.09 -1.79 -3.34 114.58 120.66 3kqx h GLU 461 Ca 0.49 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.90 3kqx h GLU 461 Cb 0.45 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.52 3kqx h GLU 461 CO 1.20 0.49 0.40 0.78 0.05 0.00 0.00 179.01 181.94 3kqx h GLY 462 N 3.21 0.86 1.90 1.06 0.00 -1.92 -2.44 103.07 105.74 3kqx h GLY 462 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3kqx h GLY 462 CO 0.06 0.32 -0.30 0.07 0.00 0.00 0.00 176.54 176.69 3kqx h ARG 463 N 0.83 0.12 -0.19 4.80 0.11 -1.95 0.37 114.38 118.47 3kqx h ARG 463 Ca 0.22 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.26 3kqx h ARG 463 Cb -0.09 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 3kqx h ARG 463 CO -0.05 0.41 0.12 -0.07 0.10 0.00 0.00 179.97 180.48 3kqx h LEU 464 N 0.11 0.23 -0.20 0.08 3.38 -1.63 0.33 115.31 117.60 3kqx h LEU 464 Ca 0.01 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3kqx h LEU 464 Cb 0.59 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kqx h LEU 464 CO 0.04 0.20 -0.86 0.71 0.09 0.00 0.00 178.44 178.62 3kqx h THR 465 N 0.23 1.34 -0.86 0.22 1.35 -0.98 -3.12 112.91 111.10 3kqx h THR 465 Ca 0.07 -2.19 0.01 0.00 -0.55 0.00 0.00 66.41 63.75 3kqx h THR 465 Cb 0.01 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 3kqx h THR 465 CO -0.01 0.67 0.56 -0.07 -0.25 0.00 0.00 175.52 176.42 3kqx h LEU 466 N 0.36 0.97 -0.35 3.87 3.38 -0.93 -2.28 115.31 120.34 3kqx h LEU 466 Ca -0.07 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3kqx h LEU 466 Cb 1.48 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 3kqx h LEU 466 CO 0.16 0.70 -0.17 0.00 0.09 0.00 0.00 178.44 179.22 3kqx h ALA 467 N 1.32 0.10 -0.43 1.53 0.00 -0.86 0.16 119.26 121.07 3kqx h ALA 467 Ca 0.32 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 3kqx h ALA 467 Cb -0.11 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kqx h ALA 467 CO -0.07 -0.55 -0.15 -0.44 0.00 0.00 0.00 179.25 178.04 3kqx h ASP 468 N -0.11 0.79 -0.68 0.00 3.32 -1.54 -2.49 116.42 115.71 3kqx h ASP 468 Ca 0.17 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3kqx h ASP 468 Cb 0.38 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3kqx h ASP 468 CO -0.42 0.95 0.19 0.00 -1.72 0.00 0.00 179.24 178.24 3kqx h ALA 469 N 1.12 1.03 -0.72 3.45 0.00 -1.03 -1.96 119.26 121.14 3kqx h ALA 469 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kqx h ALA 469 Cb 0.64 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kqx h ALA 469 CO 0.05 0.64 0.19 -0.07 0.00 0.00 0.00 179.25 180.06 3kqx h LEU 470 N 1.04 1.07 -0.27 0.00 3.38 -0.61 0.84 115.31 120.76 3kqx h LEU 470 Ca 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kqx h LEU 470 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kqx h LEU 470 CO -0.00 1.01 0.10 0.58 0.09 0.00 0.00 178.44 180.22 3kqx h VAL 471 N 1.08 1.18 -0.49 1.22 2.07 -1.35 0.13 116.25 120.09 3kqx h VAL 471 Ca 0.23 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kqx h VAL 471 Cb 0.35 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3kqx h VAL 471 CO -0.00 0.19 0.13 0.22 0.02 0.00 0.00 177.57 178.13 3kqx h TYR 472 N 0.29 0.22 -0.29 1.57 3.20 -1.25 -1.58 116.97 119.13 3kqx h TYR 472 Ca 0.09 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kqx h TYR 472 Cb 0.20 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3kqx h TYR 472 CO -0.00 0.04 0.05 0.00 -1.64 0.00 0.00 178.16 176.61 3kqx h ALA 473 N 1.36 0.38 -0.44 1.82 0.00 -0.47 -2.55 119.26 119.37 3kqx h ALA 473 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kqx h ALA 473 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kqx h ALA 473 CO -0.29 0.07 0.29 1.49 0.00 0.00 0.00 179.25 180.81 3kqx h GLU 474 N 0.30 0.53 0.00 0.00 4.81 -0.44 -1.66 114.58 118.12 3kqx h GLU 474 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kqx h GLU 474 Cb 0.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3kqx h GLU 474 CO 0.00 0.35 0.00 0.87 -0.73 0.00 0.00 179.01 179.51 3kqx h LYS 475 N 0.55 0.00 0.00 1.92 1.57 -0.86 -2.52 116.57 117.23 3kqx h LYS 475 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kqx h LYS 475 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kqx h LYS 475 CO -0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.12 3kqx n LEU 476 N -2.60 0.58 -0.72 2.94 4.32 -0.63 -4.93 117.00 115.96 3kqx n LEU 476 Ca 0.01 0.63 -0.06 0.00 -0.02 0.00 0.00 56.01 56.57 3kqx n LEU 476 Cb 0.22 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 3kqx n LEU 476 CO 0.21 -0.46 -0.05 0.61 -1.22 0.00 0.00 177.39 176.48 3kqx n GLY 477 N 0.20 0.20 3.87 -0.72 0.00 -0.95 -5.04 105.19 102.75 3kqx n GLY 477 Ca 0.03 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3kqx n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqx s VAL 478 N -2.39 3.74 0.02 1.61 -7.23 -1.26 -4.95 120.40 109.94 3kqx s VAL 478 Ca 0.02 0.57 0.10 0.00 -1.81 0.00 0.00 61.98 60.86 3kqx s VAL 478 Cb -0.01 -3.52 -0.15 0.00 0.56 0.00 0.00 36.38 33.26 3kqx s VAL 478 CO 0.03 -0.74 1.20 0.44 -0.31 0.00 0.00 175.10 175.71 3kqx h ASP 479 N -0.63 0.00 -3.83 4.85 3.32 -1.01 -3.47 116.42 115.65 3kqx h ASP 479 Ca -0.45 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.39 3kqx h ASP 479 Cb 1.24 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.52 3kqx h ASP 479 CO 0.63 0.86 -0.64 -0.31 -1.72 0.00 0.00 179.24 178.06 3kqx s TYR 480 N -2.76 -0.06 -0.14 4.55 2.02 -1.10 -3.98 117.35 115.88 3kqx s TYR 480 Ca 0.01 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 3kqx s TYR 480 Cb 0.09 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 3kqx s TYR 480 CO 0.80 -0.05 -0.18 0.42 -1.57 0.00 0.00 175.55 174.98 3kqx s ILE 481 N -0.05 1.80 -0.17 2.71 1.01 -0.30 -1.49 121.20 124.70 3kqx s ILE 481 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3kqx s ILE 481 Cb -0.01 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 3kqx s ILE 481 CO 0.00 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.62 3kqx s VAL 482 N 1.12 2.78 0.20 2.92 1.01 -0.29 -1.45 120.40 126.68 3kqx s VAL 482 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3kqx s VAL 482 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3kqx s VAL 482 CO -0.06 0.50 0.13 1.51 0.00 0.00 0.00 175.10 177.17 3kqx s ASP 483 N 1.01 5.38 -0.03 3.32 1.47 0.07 -1.06 116.67 126.83 3kqx s ASP 483 Ca -0.01 -0.22 -0.01 0.00 1.18 0.00 0.00 52.55 53.48 3kqx s ASP 483 Cb -0.15 -1.35 0.03 0.00 -0.34 0.00 0.00 42.92 41.11 3kqx s ASP 483 CO -0.03 0.04 0.06 -0.51 0.68 0.00 0.00 175.17 175.41 3kqx s ILE 484 N -1.89 -0.05 -0.27 2.11 2.07 0.11 -0.77 121.20 122.52 3kqx s ILE 484 Ca 0.31 0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 59.48 3kqx s ILE 484 Cb -0.09 -0.11 0.07 0.00 0.13 0.00 0.00 42.46 42.46 3kqx s ILE 484 CO 0.23 0.07 0.74 0.00 -1.91 0.00 0.00 174.94 174.07 3kqx s ALA 485 N 0.91 -1.80 -1.48 1.50 0.00 -0.68 -1.58 121.76 118.63 3kqx s ALA 485 Ca -0.07 2.04 -0.13 0.00 0.00 0.00 0.00 51.96 53.79 3kqx s ALA 485 Cb -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.83 3kqx s ALA 485 CO -0.03 -0.33 2.34 0.25 0.00 0.00 0.00 175.76 177.98 3kqx n THR 486 N 2.72 3.64 -0.05 0.00 -2.24 -1.26 -0.06 114.28 117.03 3kqx n THR 486 Ca -0.14 -3.00 -0.17 0.00 -2.27 0.00 0.00 64.05 58.47 3kqx n THR 486 Cb 0.55 -2.60 -0.13 0.00 -2.10 0.00 0.00 70.33 66.05 3kqx n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqx h LEU 487 N 9.40 0.10 -7.68 3.22 5.85 -1.91 -3.43 115.31 120.85 3kqx h LEU 487 Ca 0.61 -0.91 -0.43 0.00 0.84 0.00 0.00 57.88 58.00 3kqx h LEU 487 Cb 0.58 -0.03 -0.35 0.00 0.37 0.00 0.00 40.66 41.22 3kqx h LEU 487 CO 1.86 1.18 -0.77 0.42 -0.34 0.00 0.00 178.44 180.78 3kqx s THR 488 N -2.29 0.54 0.67 1.05 -4.23 -1.26 -4.95 115.64 105.17 3kqx s THR 488 Ca -0.20 -0.09 0.40 0.00 -1.18 0.00 0.00 61.69 60.63 3kqx s THR 488 Cb -0.01 -0.60 0.41 0.00 1.34 0.00 0.00 72.50 73.64 3kqx s THR 488 CO 0.70 0.25 2.25 1.23 -0.54 0.00 0.00 174.62 178.51 3kqx h GLY 489 N 7.50 0.00 2.00 3.99 0.00 -1.94 -1.73 103.07 112.89 3kqx h GLY 489 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3kqx h GLY 489 CO 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 3kqx h ALA 490 N 1.81 1.11 -0.90 3.60 0.00 -1.96 -1.24 119.26 121.68 3kqx h ALA 490 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3kqx h ALA 490 Cb 0.19 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3kqx h ALA 490 CO -0.00 0.02 0.58 0.52 0.00 0.00 0.00 179.25 180.37 3kqx h MET 491 N 0.00 0.85 -1.05 0.00 2.86 -1.71 -0.71 114.93 115.17 3kqx h MET 491 Ca -0.00 -0.05 0.28 0.00 -2.06 0.00 0.00 59.70 57.87 3kqx h MET 491 Cb 0.15 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 3kqx h MET 491 CO 0.00 0.56 0.70 -0.07 1.06 0.00 0.00 176.91 179.17 3kqx h LEU 492 N 0.88 0.32 0.00 1.22 3.38 -1.46 -0.74 115.31 118.91 3kqx h LEU 492 Ca 0.42 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3kqx h LEU 492 Cb 0.43 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kqx h LEU 492 CO -0.18 0.06 -0.94 -1.22 0.09 0.00 0.00 178.44 176.25 3kqx n TYR 493 N -4.50 0.12 -0.08 1.13 4.02 -0.35 -3.37 117.16 114.14 3kqx n TYR 493 Ca 0.25 0.04 -0.07 0.00 -0.01 0.00 0.00 57.90 58.10 3kqx n TYR 493 Cb 0.95 -0.28 -0.02 0.00 -0.02 0.00 0.00 39.34 39.97 3kqx n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqx n SER 494 N -1.75 1.69 -0.01 7.72 3.41 -0.52 -4.83 113.62 119.33 3kqx n SER 494 Ca 0.03 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 3kqx n SER 494 Cb 0.39 -0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 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 -4.25 0.03 0.00 1.04 4.77 -0.40 -5.10 117.00 113.09 3kqx n LEU 495 Ca -0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kqx n LEU 495 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3kqx n LEU 495 CO 0.17 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3kqx n GLY 496 N 1.81 -0.68 0.20 -0.72 0.00 -0.68 -4.27 105.19 100.85 3kqx n GLY 496 Ca -0.02 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.08 2.61 -2.24 -1.26 -4.25 114.28 109.05 3kqx n THR 497 Ca 0.00 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 3kqx n THR 497 Cb 0.00 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.84 2.50 -4.54 3.42 2.88 -1.26 -4.11 113.62 111.66 3kqx n SER 498 Ca 0.10 -0.08 -0.34 0.00 -1.33 0.00 0.00 58.87 57.22 3kqx n SER 498 Cb 0.36 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.34 3.08 0.70 0.66 4.12 -1.26 -4.61 117.35 117.70 3kqx s TYR 499 Ca -0.20 -0.19 -0.11 0.00 0.02 0.00 0.00 57.07 56.59 3kqx s TYR 499 Cb 0.06 -1.97 0.01 0.00 -1.52 0.00 0.00 41.96 38.53 3kqx s TYR 499 CO 0.42 0.04 1.07 0.00 0.02 0.00 0.00 175.55 177.10 3kqx s ALA 500 N 0.28 2.73 -0.13 3.71 0.00 -0.18 -4.61 121.76 123.56 3kqx s ALA 500 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 3kqx s ALA 500 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3kqx s ALA 500 CO 0.02 -1.18 0.08 0.20 0.00 0.00 0.00 175.76 174.87 3kqx s GLY 501 N -4.00 1.99 -0.07 0.00 0.00 -1.13 0.03 107.32 104.14 3kqx s GLY 501 Ca 0.58 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.63 3kqx s GLY 501 CO 0.54 -0.30 -0.23 0.54 0.00 0.00 0.00 173.10 173.65 3kqx s VAL 502 N -0.55 1.95 0.09 1.40 0.11 0.10 -0.50 120.40 123.00 3kqx s VAL 502 Ca 0.11 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.25 3kqx s VAL 502 Cb -0.12 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 3kqx s VAL 502 CO 0.02 0.54 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.77 3kqx s PHE 503 N 0.08 1.72 0.06 1.54 0.08 -0.44 -1.05 117.98 119.96 3kqx s PHE 503 Ca -0.10 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.28 3kqx s PHE 503 Cb -0.15 -0.95 0.09 0.00 -0.57 0.00 0.00 43.02 41.44 3kqx s PHE 503 CO 0.05 0.18 1.18 0.41 -0.10 0.00 0.00 175.22 176.94 3kqx n GLY 504 N 1.16 0.37 0.95 4.36 0.00 -1.26 -0.48 105.19 110.29 3kqx n GLY 504 Ca -0.20 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.81 3kqx n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqx n ASN 505 N -1.16 3.56 -3.65 1.61 0.23 -0.76 -4.80 115.26 110.28 3kqx n ASN 505 Ca 0.02 -2.24 -0.07 0.00 -0.53 0.00 0.00 54.58 51.76 3kqx n ASN 505 Cb 0.58 -0.38 -0.08 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.13 -0.48 0.14 0.53 3.84 -1.26 -4.88 114.94 111.70 3kqx s ASN 506 Ca 0.35 1.13 -0.13 0.00 0.21 0.00 0.00 52.86 54.42 3kqx s ASN 506 Cb 0.21 1.59 -0.01 0.00 -0.55 0.00 0.00 41.25 42.50 3kqx s ASN 506 CO 0.19 -0.23 1.56 -0.08 -2.79 0.00 0.00 177.10 175.75 3kqx h GLU 507 N 8.13 0.83 -0.34 0.43 4.81 -1.96 -2.20 114.58 124.28 3kqx h GLU 507 Ca -0.16 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3kqx h GLU 507 Cb 1.11 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3kqx h GLU 507 CO 0.12 0.92 0.18 1.05 -0.73 0.00 0.00 179.01 180.55 3kqx h GLU 508 N 0.67 0.36 -0.50 1.92 9.09 -1.98 0.20 114.58 124.34 3kqx h GLU 508 Ca 0.12 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 59.55 3kqx h GLU 508 Cb 0.59 -0.08 -0.04 0.00 -1.65 0.00 0.00 28.75 27.56 3kqx h GLU 508 CO 0.04 0.24 0.26 1.25 0.05 0.00 0.00 179.01 180.84 3kqx h LEU 509 N 0.37 0.38 -0.64 3.06 5.85 -1.95 -0.03 115.31 122.34 3kqx h LEU 509 Ca 0.14 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kqx h LEU 509 Cb 0.03 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3kqx h LEU 509 CO -0.08 0.26 0.38 0.40 -0.34 0.00 0.00 178.44 179.06 3kqx h ILE 510 N 0.51 1.19 -0.53 4.05 1.08 -0.74 -1.44 117.51 121.63 3kqx h ILE 510 Ca 0.21 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3kqx h ILE 510 Cb 0.11 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 3kqx h ILE 510 CO -0.14 0.20 0.25 0.78 -0.69 0.00 0.00 178.15 178.55 3kqx h ASN 511 N 0.88 0.66 -0.74 1.72 2.35 -0.21 -0.53 115.58 119.71 3kqx h ASN 511 Ca 0.23 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3kqx h ASN 511 Cb -0.01 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3kqx h ASN 511 CO -0.04 0.56 0.23 0.11 -1.65 0.00 0.00 177.43 176.64 3kqx h LYS 512 N 0.74 1.16 -0.54 0.81 1.57 -0.01 -1.49 116.57 118.82 3kqx h LYS 512 Ca 0.18 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3kqx h LYS 512 Cb 0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3kqx h LYS 512 CO -0.02 0.99 0.17 0.82 -0.57 0.00 0.00 179.45 180.84 3kqx h ILE 513 N 1.11 1.23 -0.66 1.86 1.08 -0.73 -1.49 117.51 119.91 3kqx h ILE 513 Ca 0.24 -0.77 -0.08 0.00 -0.39 0.00 0.00 64.86 63.86 3kqx h ILE 513 Cb 0.31 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3kqx h ILE 513 CO -0.01 0.29 0.10 -0.07 -0.69 0.00 0.00 178.15 177.77 3kqx h LEU 514 N 0.74 1.05 -0.40 1.44 3.38 -0.93 -1.15 115.31 119.44 3kqx h LEU 514 Ca 0.17 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3kqx h LEU 514 Cb 0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3kqx h LEU 514 CO -0.01 1.04 0.14 -0.61 0.09 0.00 0.00 178.44 179.09 3kqx h GLN 515 N 1.02 0.29 0.00 1.13 5.75 -1.16 -2.05 115.11 120.08 3kqx h GLN 515 Ca 0.20 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3kqx h GLN 515 Cb 0.45 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3kqx h GLN 515 CO 0.01 0.19 -0.13 0.77 -2.65 0.00 0.00 178.83 177.02 3kqx h SER 516 N 0.30 0.00 0.36 -0.69 0.02 -0.99 -1.26 113.55 111.29 3kqx h SER 516 Ca 0.18 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 3kqx h SER 516 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3kqx h SER 516 CO -0.19 0.13 -0.84 -1.28 -1.14 0.00 0.00 176.83 173.51 3kqx h SER 517 N 0.00 0.45 -0.36 3.07 0.87 -0.89 -0.80 113.55 115.89 3kqx h SER 517 Ca -0.00 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 3kqx h SER 517 Cb 0.45 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3kqx h SER 517 CO 0.02 1.11 -0.11 0.11 -0.53 0.00 0.00 176.83 177.43 3kqx h LYS 518 N 0.22 0.70 0.00 2.24 1.57 -0.55 -1.29 116.57 119.46 3kqx h LYS 518 Ca -0.05 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 3kqx h LYS 518 Cb 1.45 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 3kqx h LYS 518 CO 0.14 0.87 -0.80 1.79 -0.57 0.00 0.00 179.45 180.89 3kqx h THR 519 N 0.49 1.02 0.00 -0.16 1.35 -1.38 -3.20 112.91 111.04 3kqx h THR 519 Ca 0.09 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 3kqx h THR 519 Cb 0.63 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3kqx h THR 519 CO 0.04 0.58 -0.13 0.77 -0.25 0.00 0.00 175.52 176.53 3kqx h SER 520 N 0.00 0.00 -1.83 5.36 4.64 -1.18 -3.47 113.55 117.08 3kqx h SER 520 Ca -0.04 -0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.90 3kqx h SER 520 Cb 1.53 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 3kqx h SER 520 CO 0.08 0.00 -0.42 0.59 -0.87 0.00 0.00 176.83 176.21 3kqx n ASN 521 N -2.99 -5.32 -4.24 4.97 3.02 -0.49 -4.86 115.26 105.34 3kqx n ASN 521 Ca 0.04 0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 3kqx n ASN 521 Cb 0.53 -4.42 -0.07 0.00 -0.61 0.00 0.00 39.78 35.20 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 -4.29 2.68 0.21 3.52 2.02 -1.18 -4.93 118.70 116.73 3kqx s GLU 522 Ca 0.00 -1.82 -0.30 0.00 0.02 0.00 0.00 54.97 52.87 3kqx s GLU 522 Cb 0.00 -4.05 -0.09 0.00 0.10 0.00 0.00 34.13 30.09 3kqx s GLU 522 CO 0.00 -1.24 1.39 -1.25 0.02 0.00 0.00 175.26 174.18 3kqx s PRO 523 N 1.31 4.32 0.04 0.39 0.04 -1.26 -4.62 135.00 135.22 3kqx s PRO 523 Ca 0.06 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.31 3kqx s PRO 523 Cb -0.26 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 3kqx s PRO 523 CO -0.00 -0.36 -0.10 0.08 0.04 0.00 0.00 177.00 176.65 3kqx s VAL 524 N 0.21 0.78 -0.03 -0.36 1.01 -1.26 -1.01 120.40 119.75 3kqx s VAL 524 Ca 0.59 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kqx s VAL 524 Cb -0.39 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 3kqx s VAL 524 CO 0.39 -0.22 -0.12 0.86 0.00 0.00 0.00 175.10 176.01 3kqx s TRP 525 N -1.12 1.23 -0.11 5.22 -0.11 0.10 -4.89 118.94 119.26 3kqx s TRP 525 Ca -0.04 -0.31 -0.30 0.00 1.22 0.00 0.00 56.10 56.67 3kqx s TRP 525 Cb -0.09 -0.84 -0.02 0.00 -1.50 0.00 0.00 33.47 31.02 3kqx s TRP 525 CO 0.01 -0.10 1.22 -0.46 -4.62 0.00 0.00 176.95 173.00 3kqx s TRP 526 N 0.03 3.05 0.15 5.86 -0.00 -1.26 0.00 118.94 126.77 3kqx s TRP 526 Ca -0.01 1.14 0.11 0.00 -0.00 0.00 0.00 56.10 57.34 3kqx s TRP 526 Cb -0.09 -3.45 -0.04 0.00 -0.00 0.00 0.00 33.47 29.90 3kqx s TRP 526 CO 0.01 -1.42 -0.23 -0.51 -0.00 0.00 0.00 176.95 174.79 3kqx s LEU 527 N 2.82 2.47 0.39 5.86 1.43 -0.22 -4.90 118.68 126.52 3kqx s LEU 527 Ca 0.55 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 3kqx s LEU 527 Cb -0.23 -1.29 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 3kqx s LEU 527 CO 0.18 0.16 0.92 -2.16 0.23 0.00 0.00 176.35 175.68 3kqx s PRO 528 N -2.31 4.29 -0.50 1.29 0.04 -1.26 -4.35 135.00 132.20 3kqx s PRO 528 Ca 0.17 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 3kqx s PRO 528 Cb -0.09 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 32.14 3kqx s PRO 528 CO 0.08 0.08 0.53 0.42 0.04 0.00 0.00 177.00 178.15 3kqx s ILE 529 N -2.01 5.04 -0.45 0.56 1.01 -1.26 -4.86 121.20 119.23 3kqx s ILE 529 Ca 0.58 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 3kqx s ILE 529 Cb -0.12 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.14 3kqx s ILE 529 CO 0.16 -0.74 0.69 -0.63 0.00 0.00 0.00 174.94 174.43 3kqx s ILE 530 N 2.17 4.76 0.32 2.92 1.01 -1.26 -4.93 121.20 126.18 3kqx s ILE 530 Ca 0.10 0.15 0.24 0.00 0.00 0.00 0.00 60.65 61.14 3kqx s ILE 530 Cb -0.22 -4.26 0.25 0.00 0.01 0.00 0.00 42.46 38.23 3kqx s ILE 530 CO 0.09 -0.67 1.96 0.78 0.00 0.00 0.00 174.94 177.09 3kqx h ASN 531 N 8.94 0.00 -0.01 3.58 2.35 -2.00 -2.56 115.58 125.87 3kqx h ASN 531 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3kqx h ASN 531 Cb 1.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3kqx h ASN 531 CO 0.93 0.19 0.06 -0.08 -1.65 0.00 0.00 177.43 176.88 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 0.15 114.58 118.29 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqx h GLU 532 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3kqx h GLU 532 CO 0.02 0.00 -0.18 0.66 -0.73 0.00 0.00 179.01 178.79 3kqx n TYR 533 N -3.22 0.00 -0.28 0.92 0.53 -0.96 -4.31 117.16 109.84 3kqx n TYR 533 Ca -0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.96 3kqx n TYR 533 Cb 0.14 -0.26 0.35 0.00 -1.03 0.00 0.00 39.34 38.54 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 0.36 0.72 0.00 -0.72 9.65 -0.86 -1.47 114.38 122.06 3kqx h ARG 534 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kqx h ARG 534 Cb 0.43 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3kqx h ARG 534 CO 0.00 0.48 0.00 0.00 2.80 0.00 0.00 179.97 183.25 3kqx h ALA 535 N 1.59 1.00 0.00 2.80 0.00 -1.78 -1.35 119.26 121.52 3kqx h ALA 535 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kqx h ALA 535 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kqx h ALA 535 CO -0.20 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.30 3kqx n THR 536 N -2.47 0.41 1.16 0.00 -2.24 -0.55 -2.12 114.28 108.47 3kqx n THR 536 Ca -0.00 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 3kqx n THR 536 Cb 0.14 -0.68 0.33 0.00 -2.10 0.00 0.00 70.33 68.01 3kqx n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqx n LEU 537 N -1.74 1.70 -4.63 3.22 4.77 -0.51 -4.55 117.00 115.25 3kqx n LEU 537 Ca 0.05 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 3kqx n LEU 537 Cb 0.32 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3kqx n LEU 537 CO 0.24 0.37 1.19 0.20 -1.33 0.00 0.00 177.39 178.06 3kqx s ASN 538 N -1.44 6.61 0.17 -1.43 0.01 -0.90 -0.65 114.94 117.30 3kqx s ASN 538 Ca 0.30 1.31 -0.14 0.00 -0.71 0.00 0.00 52.86 53.62 3kqx s ASN 538 Cb 0.16 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.21 3kqx s ASN 538 CO 0.24 -1.12 0.57 -0.55 -1.51 0.00 0.00 177.10 174.73 3kqx s SER 539 N 3.11 6.82 0.23 -1.22 0.15 -1.26 -4.77 113.70 116.75 3kqx s SER 539 Ca 0.60 1.09 -0.05 0.00 0.70 0.00 0.00 55.95 58.29 3kqx s SER 539 Cb -0.19 -2.29 0.22 0.00 -1.71 0.00 0.00 66.02 62.05 3kqx s SER 539 CO 0.24 0.06 1.74 0.50 1.20 0.00 0.00 173.24 176.98 3kqx h LYS 540 N 3.37 0.99 0.00 5.44 1.63 -1.97 -3.39 116.57 122.64 3kqx h LYS 540 Ca -0.48 -0.25 -0.19 0.00 -0.85 0.00 0.00 60.65 58.88 3kqx h LYS 540 Cb 1.19 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 3kqx h LYS 540 CO 0.66 0.91 -1.71 0.66 -3.45 0.00 0.00 179.45 176.52 3kqx n TYR 541 N -4.22 0.00 -2.84 1.91 4.01 -1.26 -5.06 117.16 109.69 3kqx n TYR 541 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.57 3kqx n TYR 541 Cb 0.28 -0.49 0.07 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.25 4.27 0.25 -0.72 0.00 -1.26 -5.01 121.76 117.04 3kqx s ALA 542 Ca -0.15 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 49.98 3kqx s ALA 542 Cb 0.04 -1.73 0.31 0.00 0.00 0.00 0.00 23.12 21.74 3kqx s ALA 542 CO 0.31 -0.95 1.63 -0.44 0.00 0.00 0.00 175.76 176.30 3kqx h ASP 543 N 0.01 0.41 -4.93 0.00 3.32 -1.74 -3.38 116.42 110.09 3kqx h ASP 543 Ca -0.35 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3kqx h ASP 543 Cb 1.28 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3kqx h ASP 543 CO 0.42 0.80 -0.10 -0.51 -1.72 0.00 0.00 179.24 178.13 3kqx s ILE 544 N -4.11 0.03 0.26 0.35 2.07 -0.84 -4.52 121.20 114.44 3kqx s ILE 544 Ca -0.06 -0.28 -0.21 0.00 -1.41 0.00 0.00 60.65 58.69 3kqx s ILE 544 Cb 0.13 -0.75 -0.09 0.00 0.13 0.00 0.00 42.46 41.88 3kqx s ILE 544 CO 0.80 -0.15 0.78 0.20 -1.91 0.00 0.00 174.94 174.65 3kqx s ASN 545 N -1.19 7.09 0.29 4.50 0.01 0.18 -0.87 114.94 124.95 3kqx s ASN 545 Ca -0.12 1.51 0.01 0.00 -0.71 0.00 0.00 52.86 53.55 3kqx s ASN 545 Cb -0.03 -2.45 0.44 0.00 0.41 0.00 0.00 41.25 39.61 3kqx s ASN 545 CO 0.06 -0.02 1.78 -0.61 -1.51 0.00 0.00 177.10 176.80 3kqx h GLN 546 N 3.23 0.61 -4.49 -0.60 4.15 -1.60 -3.46 115.11 112.95 3kqx h GLN 546 Ca -0.48 -0.18 -0.20 0.00 0.77 0.00 0.00 58.65 58.57 3kqx h GLN 546 Cb 1.19 -0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.67 3kqx h GLN 546 CO 0.65 0.69 -0.66 0.96 -1.93 0.00 0.00 178.83 178.54 3kqx s ILE 547 N -4.81 0.29 0.18 2.39 -4.36 -1.26 -4.93 121.20 108.70 3kqx s ILE 547 Ca -0.08 -1.91 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 3kqx s ILE 547 Cb 0.15 -1.94 -0.07 0.00 1.25 0.00 0.00 42.46 41.85 3kqx s ILE 547 CO 0.79 -0.59 0.52 -0.55 0.24 0.00 0.00 174.94 175.34 3kqx s SER 548 N -3.05 6.67 -0.01 4.36 0.15 -1.26 -4.77 113.70 115.79 3kqx s SER 548 Ca 0.20 0.92 0.21 0.00 0.70 0.00 0.00 55.95 57.98 3kqx s SER 548 Cb 0.07 -2.23 -0.25 0.00 -1.71 0.00 0.00 66.02 61.91 3kqx s SER 548 CO -0.00 0.01 0.76 -1.54 1.20 0.00 0.00 173.24 173.67 3kqx n SER 549 N 0.25 0.62 -0.09 5.45 3.41 -1.26 -4.75 113.62 117.24 3kqx n SER 549 Ca -0.02 -0.59 -0.16 0.00 -0.26 0.00 0.00 58.87 57.84 3kqx n SER 549 Cb 0.52 1.34 -0.07 0.00 -0.26 0.00 0.00 64.21 65.74 3kqx n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqx n SER 550 N -1.80 1.79 -4.70 4.04 3.41 -1.26 -5.03 113.62 110.07 3kqx n SER 550 Ca 0.01 0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 3kqx n SER 550 Cb 0.42 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.32 4.52 -1.61 -3.33 1.01 -1.26 -4.95 120.40 112.46 3kqx s VAL 551 Ca -0.24 1.81 0.26 0.00 0.00 0.00 0.00 61.98 63.81 3kqx s VAL 551 Cb 0.08 -4.16 0.19 0.00 0.00 0.00 0.00 36.38 32.49 3kqx s VAL 551 CO 0.33 0.09 1.49 0.29 0.00 0.00 0.00 175.10 177.30 3kqx n LYS 552 N 4.33 0.68 -1.42 2.72 5.02 -1.26 -4.58 118.16 123.65 3kqx n LYS 552 Ca 0.08 -0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 55.54 3kqx n LYS 552 Cb 0.48 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 553 N -0.79 4.71 -0.36 7.82 0.00 -1.26 -4.76 120.51 125.86 3kqx n ALA 553 Ca 0.10 -3.54 0.02 0.00 0.00 0.00 0.00 53.44 50.03 3kqx n ALA 553 Cb 0.35 -3.54 0.18 0.00 0.00 0.00 0.00 19.45 16.43 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 6.73 1.04 -0.57 0.00 0.02 -1.98 -0.48 113.55 118.31 3kqx h SER 554 Ca 0.52 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.42 3kqx h SER 554 Cb 0.61 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3kqx h SER 554 CO 1.89 0.69 0.16 0.28 -1.14 0.00 0.00 176.83 178.71 3kqx h SER 555 N 1.19 0.89 -0.07 3.07 0.02 -1.93 -0.57 113.55 116.15 3kqx h SER 555 Ca 0.41 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kqx h SER 555 Cb 0.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3kqx h SER 555 CO -0.15 0.86 -0.18 0.40 -1.14 0.00 0.00 176.83 176.62 3kqx h ILE 556 N 0.91 1.42 -0.46 3.27 2.04 -1.73 -2.72 117.51 120.24 3kqx h ILE 556 Ca 0.20 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.61 3kqx h ILE 556 Cb 0.31 2.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.56 3kqx h ILE 556 CO -0.00 0.43 0.01 0.58 0.00 0.00 0.00 178.15 179.17 3kqx h VAL 557 N -0.24 0.65 -0.77 1.67 2.07 -1.01 -0.96 116.25 117.65 3kqx h VAL 557 Ca -0.00 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3kqx h VAL 557 Cb 0.79 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3kqx h VAL 557 CO 0.04 0.02 0.47 0.00 0.02 0.00 0.00 177.57 178.12 3kqx h ALA 558 N 1.40 1.04 -0.55 1.67 0.00 -1.14 -1.08 119.26 120.60 3kqx h ALA 558 Ca 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kqx h ALA 558 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kqx h ALA 558 CO -0.37 0.20 0.13 0.77 0.00 0.00 0.00 179.25 179.98 3kqx h SER 559 N 0.87 0.84 -0.38 0.00 0.02 -1.09 -1.13 113.55 112.68 3kqx h SER 559 Ca 0.33 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3kqx h SER 559 Cb 0.14 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3kqx h SER 559 CO -0.16 0.86 0.17 -0.07 -1.14 0.00 0.00 176.83 176.49 3kqx h LEU 560 N 0.78 0.22 -0.10 5.07 3.38 -0.86 -0.54 115.31 123.28 3kqx h LEU 560 Ca 0.17 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3kqx h LEU 560 Cb 0.35 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3kqx h LEU 560 CO 0.00 0.17 -0.16 0.15 0.09 0.00 0.00 178.44 178.70 3kqx h PHE 561 N 0.35 -0.40 -0.91 1.13 3.04 -0.90 -2.96 116.94 116.29 3kqx h PHE 561 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 3kqx h PHE 561 Cb 0.10 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 3kqx h PHE 561 CO -0.12 -0.23 0.60 -0.07 -2.02 0.00 0.00 178.31 176.48 3kqx h LEU 562 N -0.21 1.03 -2.10 0.59 3.38 -0.92 -2.43 115.31 114.64 3kqx h LEU 562 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kqx h LEU 562 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kqx h LEU 562 CO -0.22 0.74 -0.08 0.50 0.09 0.00 0.00 178.44 179.47 3kqx h LYS 563 N 1.21 0.00 0.00 1.13 3.64 -0.95 0.11 116.57 121.72 3kqx h LYS 563 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3kqx h LYS 563 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3kqx h LYS 563 CO -0.08 0.08 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 3kqx n GLU 564 N -3.62 0.07 -0.34 1.90 -0.58 -0.91 -3.07 120.64 114.09 3kqx n GLU 564 Ca -0.02 0.44 0.07 0.00 -0.42 0.00 0.00 57.16 57.24 3kqx n GLU 564 Cb 0.19 -1.68 0.23 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 -1.83 0.81 -3.86 -0.32 3.01 0.40 -4.81 117.46 110.86 3kqx n PHE 565 Ca 0.01 -0.64 -0.29 0.00 1.01 0.00 0.00 57.45 57.55 3kqx n PHE 565 Cb 0.11 -0.15 -0.16 0.00 -0.01 0.00 0.00 39.48 39.26 3kqx n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqx s VAL 566 N -1.71 1.08 -0.05 -4.37 1.01 -1.17 -3.90 120.40 111.29 3kqx s VAL 566 Ca 0.35 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.58 3kqx s VAL 566 Cb 0.23 -1.41 -0.23 0.00 0.00 0.00 0.00 36.38 34.96 3kqx s VAL 566 CO 0.16 -0.09 0.64 0.00 0.00 0.00 0.00 175.10 175.81 3kqx n GLN 567 N 4.85 0.64 -1.52 2.72 6.02 -1.26 -4.75 117.38 124.08 3kqx n GLN 567 Ca -0.11 0.30 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 3kqx n GLN 567 Cb 0.46 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 3kqx n GLN 567 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqx n ASN 568 N -3.08 -0.40 -3.94 1.08 3.02 -1.26 -5.11 115.26 105.57 3kqx n ASN 568 Ca -0.18 -2.04 -0.14 0.00 -0.03 0.00 0.00 54.58 52.20 3kqx n ASN 568 Cb 1.05 0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 40.24 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqx s THR 569 N -0.25 0.26 0.23 3.41 2.01 -1.26 -5.11 115.64 114.93 3kqx s THR 569 Ca 0.12 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 3kqx s THR 569 Cb 0.19 -0.25 -0.11 0.00 0.01 0.00 0.00 72.50 72.33 3kqx s THR 569 CO -0.06 -0.01 1.65 0.00 -0.69 0.00 0.00 174.62 175.50 3kqx s ALA 570 N -0.29 3.85 -0.13 7.40 0.00 -1.26 -4.90 121.76 126.43 3kqx s ALA 570 Ca -0.01 1.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 3kqx s ALA 570 Cb -0.03 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kqx s ALA 570 CO -0.00 -0.91 0.32 -0.46 0.00 0.00 0.00 175.76 174.71 3kqx s TRP 571 N 0.78 -0.38 0.08 0.00 -0.00 -1.26 -1.15 118.94 117.02 3kqx s TRP 571 Ca 0.70 0.91 0.01 0.00 -0.00 0.00 0.00 56.10 57.72 3kqx s TRP 571 Cb -0.48 0.13 -0.04 0.00 -0.00 0.00 0.00 33.47 33.08 3kqx s TRP 571 CO 0.37 -0.20 -0.04 0.00 -0.00 0.00 0.00 176.95 177.07 3kqx s ALA 572 N 0.48 0.80 -0.04 5.86 0.00 -0.53 -1.84 121.76 126.50 3kqx s ALA 572 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 3kqx s ALA 572 Cb -0.04 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3kqx s ALA 572 CO -0.02 -0.30 0.06 -1.58 0.00 0.00 0.00 175.76 173.91 3kqx s HIS 573 N -3.76 0.06 -0.30 0.00 2.46 0.37 -0.75 115.29 113.37 3kqx s HIS 573 Ca 0.11 0.26 -0.09 0.00 0.47 0.00 0.00 55.06 55.80 3kqx s HIS 573 Cb 0.06 -0.48 -0.01 0.00 -0.13 0.00 0.00 32.58 32.02 3kqx s HIS 573 CO -0.06 -0.19 0.14 0.42 -2.47 0.00 0.00 174.74 172.58 3kqx s ILE 574 N 2.17 4.54 -0.39 0.89 1.01 0.05 -1.33 121.20 128.14 3kqx s ILE 574 Ca 0.05 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 3kqx s ILE 574 Cb -0.12 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 39.06 3kqx s ILE 574 CO -0.03 0.09 0.48 -0.62 0.00 0.00 0.00 174.94 174.86 3kqx s ASP 575 N 1.61 6.25 -0.16 3.58 -1.08 0.35 -1.68 116.67 125.53 3kqx s ASP 575 Ca 0.05 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.89 3kqx s ASP 575 Cb -0.17 -2.25 0.55 0.00 -1.46 0.00 0.00 42.92 39.59 3kqx s ASP 575 CO 0.06 -0.54 1.45 2.30 0.52 0.00 0.00 175.17 178.96 3kqx n ILE 576 N 5.46 2.17 -0.13 4.11 -5.35 0.91 -2.82 119.36 123.72 3kqx n ILE 576 Ca -0.06 -1.69 0.10 0.00 -0.27 0.00 0.00 62.75 60.84 3kqx n ILE 576 Cb 0.48 -0.15 0.45 0.00 -1.74 0.00 0.00 39.64 38.68 3kqx n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqx h ALA 577 N 2.19 1.91 0.12 -1.28 0.00 -1.84 -2.32 119.26 118.05 3kqx h ALA 577 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3kqx h ALA 577 Cb 1.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kqx h ALA 577 CO 0.23 -0.05 -1.25 0.78 0.00 0.00 0.00 179.25 178.96 3kqx h GLY 578 N 0.53 0.29 0.73 0.00 0.00 -1.83 -3.39 103.07 99.40 3kqx h GLY 578 Ca 0.30 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kqx h GLY 578 CO -0.09 0.65 -0.97 3.33 0.00 0.00 0.00 176.54 179.46 3kqx n VAL 579 N -3.51 0.24 -0.01 4.60 0.24 -1.03 -4.28 118.33 114.57 3kqx n VAL 579 Ca -0.09 -0.28 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 3kqx n VAL 579 Cb 1.02 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 3kqx n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqx h SER 580 N 0.00 0.85 -3.28 -1.34 0.87 -1.62 -3.43 113.55 105.61 3kqx h SER 580 Ca 0.00 -0.56 -0.59 0.00 -1.23 0.00 0.00 61.79 59.40 3kqx h SER 580 Cb 0.76 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.36 3kqx h SER 580 CO 0.00 1.35 -0.38 0.86 -0.53 0.00 0.00 176.83 178.14 3kqx s TRP 581 N -3.71 3.45 -0.69 2.24 -0.11 -1.26 -1.22 118.94 117.63 3kqx s TRP 581 Ca -0.09 0.52 -0.24 0.00 1.22 0.00 0.00 56.10 57.51 3kqx s TRP 581 Cb 0.09 -2.28 0.06 0.00 -1.50 0.00 0.00 33.47 29.84 3kqx s TRP 581 CO 0.89 0.26 1.05 1.21 -4.62 0.00 0.00 176.95 175.75 3kqx s ASN 582 N 0.42 6.18 0.22 5.86 3.84 -0.01 -4.88 114.94 126.56 3kqx s ASN 582 Ca 0.14 -0.87 -0.05 0.00 0.21 0.00 0.00 52.86 52.29 3kqx s ASN 582 Cb -0.12 -2.46 0.19 0.00 -0.55 0.00 0.00 41.25 38.31 3kqx s ASN 582 CO 0.02 -1.54 1.66 -0.26 -2.79 0.00 0.00 177.10 174.19 3kqx h PHE 583 N 9.68 0.95 -0.47 0.43 -1.00 -1.97 0.12 116.94 124.68 3kqx h PHE 583 Ca -0.28 -0.18 -0.07 0.00 2.81 0.00 0.00 57.97 60.25 3kqx h PHE 583 Cb 1.06 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.37 3kqx h PHE 583 CO 1.02 0.92 0.01 0.87 -1.61 0.00 0.00 178.31 179.51 3kqx h LYS 584 N 0.77 0.83 -0.00 1.51 1.57 -1.95 -2.97 116.57 116.33 3kqx h LYS 584 Ca 0.13 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kqx h LYS 584 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kqx h LYS 584 CO 0.04 0.87 -0.26 0.00 -0.57 0.00 0.00 179.45 179.53 3kqx n ALA 585 N -2.43 3.05 -3.53 3.86 0.00 -1.15 -4.96 120.51 115.35 3kqx n ALA 585 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 3kqx n ALA 585 Cb 0.30 -1.22 0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.07 -7.63 -3.89 0.00 1.74 0.38 -5.00 116.66 101.19 3kqx n ARG 586 Ca 0.10 0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 57.92 3kqx n ARG 586 Cb 0.32 -5.84 -0.06 0.00 -1.02 0.00 0.00 32.46 25.87 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 -6.25 1.31 0.81 5.56 -2.85 -1.07 -5.02 119.74 112.22 3kqx s LYS 587 Ca 0.56 -1.08 -0.11 0.00 -1.00 0.00 0.00 55.97 54.34 3kqx s LYS 587 Cb -0.25 0.45 0.08 0.00 -2.06 0.00 0.00 37.83 36.05 3kqx s LYS 587 CO 0.69 -0.52 1.12 -2.14 0.10 0.00 0.00 175.35 174.59 3kqx s PRO 588 N -3.94 1.89 0.18 1.78 0.02 -1.26 -0.83 135.00 132.84 3kqx s PRO 588 Ca 0.15 1.35 0.22 0.00 0.02 0.00 0.00 61.00 62.75 3kqx s PRO 588 Cb 0.01 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3kqx s PRO 588 CO 0.01 -1.95 1.00 1.63 -0.33 0.00 0.00 177.00 177.36 3kqx n LYS 589 N -3.60 0.61 -3.34 5.54 5.02 -0.36 -4.66 118.16 117.36 3kqx n LYS 589 Ca 0.10 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 3kqx n LYS 589 Cb 0.52 -1.81 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3kqx n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqx n GLY 590 N 1.20 -0.47 3.75 0.72 0.00 -1.26 -4.91 105.19 104.21 3kqx n GLY 590 Ca -0.01 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kqx n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqx s PHE 591 N -3.25 2.93 0.00 1.61 5.36 -1.26 -3.59 117.98 119.78 3kqx s PHE 591 Ca 0.46 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3kqx s PHE 591 Cb -0.20 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 3kqx s PHE 591 CO 0.57 -2.98 0.00 0.41 -1.46 0.00 0.00 175.22 171.76 3kqx n GLY 592 N 2.21 2.27 0.11 13.12 0.00 -1.26 -4.71 105.19 116.94 3kqx n GLY 592 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 1.07 -0.36 1.61 2.07 -1.76 -0.16 116.25 118.72 3kqx h VAL 593 Ca 0.00 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3kqx h VAL 593 Cb 0.00 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kqx h VAL 593 CO 0.00 0.07 -0.42 0.03 0.02 0.00 0.00 177.57 177.27 3kqx h ARG 594 N 0.26 0.92 -0.14 1.57 3.08 -1.90 -1.64 114.38 116.54 3kqx h ARG 594 Ca 0.07 -0.51 0.04 0.00 0.07 0.00 0.00 59.98 59.66 3kqx h ARG 594 Cb -0.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3kqx h ARG 594 CO -0.01 1.16 -0.17 1.25 -1.07 0.00 0.00 179.97 181.13 3kqx h LEU 595 N 0.73 -0.52 -0.81 3.04 5.85 -1.82 0.26 115.31 122.05 3kqx h LEU 595 Ca 0.05 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3kqx h LEU 595 Cb 1.02 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3kqx h LEU 595 CO 0.10 -0.22 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.68 3kqx h LEU 596 N -0.21 0.64 -0.04 2.25 3.38 -0.92 -0.69 115.31 119.72 3kqx h LEU 596 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kqx h LEU 596 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kqx h LEU 596 CO -0.26 0.86 -0.03 0.74 0.09 0.00 0.00 178.44 179.84 3kqx h THR 597 N 0.56 1.35 -0.71 0.22 2.02 -1.03 -1.19 112.91 114.13 3kqx h THR 597 Ca 0.08 -1.09 0.14 0.00 0.77 0.00 0.00 66.41 66.31 3kqx h THR 597 Cb 0.70 1.99 -0.10 0.00 -1.74 0.00 0.00 68.15 69.01 3kqx h THR 597 CO 0.05 0.29 0.22 -0.33 0.37 0.00 0.00 175.52 176.12 3kqx h GLU 598 N -0.33 0.33 -0.29 6.66 4.39 -0.83 0.16 114.58 124.67 3kqx h GLU 598 Ca 0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3kqx h GLU 598 Cb 0.49 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3kqx h GLU 598 CO 0.01 0.22 0.13 0.35 -1.16 0.00 0.00 179.01 178.56 3kqx h PHE 599 N 0.34 0.24 -0.10 4.33 3.57 -0.81 -2.13 116.94 122.38 3kqx h PHE 599 Ca 0.39 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.79 3kqx h PHE 599 Cb 0.61 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3kqx h PHE 599 CO -0.22 0.13 -0.44 -0.39 -2.23 0.00 0.00 178.31 175.16 3kqx h VAL 600 N 0.28 1.32 0.00 1.41 -1.51 -0.56 -1.30 116.25 115.89 3kqx h VAL 600 Ca 0.12 -1.59 -0.04 0.00 -1.23 0.00 0.00 66.70 63.95 3kqx h VAL 600 Cb 0.06 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 3kqx h VAL 600 CO -0.10 0.47 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.43 3kqx h LEU 601 N 0.20 0.00 0.00 4.19 4.07 -0.43 -3.19 115.31 120.15 3kqx h LEU 601 Ca 0.01 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.65 3kqx h LEU 601 Cb 0.86 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.54 3kqx h LEU 601 CO 0.07 0.21 -1.96 0.59 -1.08 0.00 0.00 178.44 176.28 3kqx n ASN 602 N -3.55 0.60 -0.64 -0.43 4.13 -0.82 -5.00 115.26 109.55 3kqx n ASN 602 Ca -0.01 0.26 0.08 0.00 1.68 0.00 0.00 54.58 56.60 3kqx n ASN 602 Cb 0.36 0.29 0.07 0.00 -1.54 0.00 0.00 39.78 38.96 3kqx n ASN 602 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64