#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.32 -0.09 4.33 8.01 -1.26 -4.93 118.70 129.07 3kqz s GLU 87 Ca 0.00 2.05 -0.27 0.00 0.01 0.00 0.00 54.97 56.76 3kqz s GLU 87 Cb 0.00 -3.32 -0.02 0.00 -4.31 0.00 0.00 34.13 26.48 3kqz s GLU 87 CO 0.00 -0.46 0.87 0.54 0.01 0.00 0.00 175.26 176.22 3kqz s VAL 88 N 1.36 4.90 0.78 2.63 0.11 -1.26 -5.02 120.40 123.90 3kqz s VAL 88 Ca 0.64 1.76 -0.11 0.00 -2.93 0.00 0.00 61.98 61.35 3kqz s VAL 88 Cb -0.36 -4.19 0.06 0.00 -1.53 0.00 0.00 36.38 30.36 3kqz s VAL 88 CO 0.30 0.11 1.09 -2.16 -3.33 0.00 0.00 175.10 171.11 3kqz s PRO 89 N 1.49 2.22 0.01 1.54 0.04 -1.26 -4.96 135.00 134.08 3kqz s PRO 89 Ca 0.43 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.53 3kqz s PRO 89 Cb -0.18 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3kqz s PRO 89 CO 0.19 -1.63 -0.06 -0.65 0.04 0.00 0.00 177.00 174.88 3kqz s GLN 90 N -4.95 0.45 -0.02 4.56 -0.21 -1.26 -5.00 119.66 113.23 3kqz s GLN 90 Ca 0.61 -0.41 -0.17 0.00 0.02 0.00 0.00 55.36 55.42 3kqz s GLN 90 Cb -0.16 -0.35 -0.33 0.00 1.00 0.00 0.00 33.01 33.17 3kqz s GLN 90 CO 0.56 0.08 0.86 0.28 -2.12 0.00 0.00 175.29 174.96 3kqz h VAL 91 N 4.82 1.25 -3.72 1.09 2.07 -1.97 -3.47 116.25 116.32 3kqz h VAL 91 Ca -0.31 -2.59 -0.26 0.00 0.82 0.00 0.00 66.70 64.36 3kqz h VAL 91 Cb 1.20 3.00 -0.16 0.00 -1.52 0.00 0.00 31.29 33.81 3kqz h VAL 91 CO 0.46 0.78 -0.71 0.68 0.02 0.00 0.00 177.57 178.81 3kqz s VAL 92 N -2.54 0.82 -0.06 2.57 -7.23 -1.26 -5.03 120.40 107.67 3kqz s VAL 92 Ca -0.13 -1.85 0.26 0.00 -1.81 0.00 0.00 61.98 58.45 3kqz s VAL 92 Cb 0.03 -1.59 0.26 0.00 0.56 0.00 0.00 36.38 35.64 3kqz s VAL 92 CO 0.88 -0.76 1.79 0.77 -0.31 0.00 0.00 175.10 177.47 3kqz h SER 93 N 3.13 0.00 0.28 4.85 4.64 -2.02 -0.39 113.55 124.04 3kqz h SER 93 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3kqz h SER 93 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kqz h SER 93 CO 0.61 0.00 -0.23 0.18 -0.87 0.00 0.00 176.83 176.52 3kqz n LEU 94 N -2.41 0.87 -4.69 5.97 4.77 -1.26 -4.88 117.00 115.38 3kqz n LEU 94 Ca -0.01 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 3kqz n LEU 94 Cb 0.05 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3kqz n LEU 94 CO 0.12 0.16 1.11 -1.81 -1.33 0.00 0.00 177.39 175.65 3kqz s ASP 95 N -2.52 6.86 0.37 -1.43 1.01 -0.16 -4.96 116.67 115.85 3kqz s ASP 95 Ca 0.25 2.09 -0.28 0.00 0.71 0.00 0.00 52.55 55.32 3kqz s ASP 95 Cb 0.19 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 3kqz s ASP 95 CO 0.52 -0.71 1.48 -0.81 0.21 0.00 0.00 175.17 175.86 3kqz n PRO 96 N 5.40 2.65 -0.36 8.23 -0.04 -1.26 -4.94 135.00 144.69 3kqz n PRO 96 Ca 0.13 0.93 0.07 0.00 -0.04 0.00 0.00 63.50 64.60 3kqz n PRO 96 Cb 0.44 -2.66 0.23 0.00 -0.04 0.00 0.00 33.50 31.47 3kqz n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqz n THR 97 N 0.51 1.61 -3.54 0.52 -2.24 -1.26 -4.79 114.28 105.09 3kqz n THR 97 Ca 0.02 -1.35 -0.13 0.00 -2.27 0.00 0.00 64.05 60.32 3kqz n THR 97 Cb 0.39 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -1.31 -0.48 -0.12 3.42 1.04 -1.26 -4.70 113.70 110.29 3kqz s SER 98 Ca 0.35 0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.99 3kqz s SER 98 Cb 0.24 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3kqz s SER 98 CO 0.15 -0.49 0.73 -0.63 0.98 0.00 0.00 173.24 173.98 3kqz s ILE 99 N -1.49 4.98 0.38 -1.02 1.01 -1.26 -4.88 121.20 118.93 3kqz s ILE 99 Ca -0.04 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.82 3kqz s ILE 99 Cb -0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3kqz s ILE 99 CO 0.03 0.15 1.17 -2.16 0.00 0.00 0.00 174.94 174.12 3kqz s PRO 100 N 1.46 4.15 -0.13 2.79 0.04 -1.26 -5.03 135.00 137.02 3kqz s PRO 100 Ca 0.36 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 3kqz s PRO 100 Cb -0.17 -2.76 0.06 0.00 0.04 0.00 0.00 34.50 31.67 3kqz s PRO 100 CO 0.15 -0.24 0.28 0.42 0.04 0.00 0.00 177.00 177.64 3kqz s ILE 101 N -1.37 -0.33 -0.31 0.56 -1.09 -1.26 -4.97 121.20 112.42 3kqz s ILE 101 Ca 0.55 0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 59.01 3kqz s ILE 101 Cb -0.31 -0.45 -0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3kqz s ILE 101 CO 0.40 0.10 0.59 -1.61 -1.23 0.00 0.00 174.94 173.18 3kqz s GLU 102 N 2.13 3.88 -0.21 2.79 2.02 -1.26 -4.93 118.70 123.12 3kqz s GLU 102 Ca -0.02 0.21 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 3kqz s GLU 102 Cb -0.11 -3.73 -0.15 0.00 0.10 0.00 0.00 34.13 30.24 3kqz s GLU 102 CO -0.09 -0.55 0.01 0.66 0.02 0.00 0.00 175.26 175.31 3kqz n TYR 103 N 5.80 0.75 -2.84 1.61 4.02 -1.26 -4.75 117.16 120.49 3kqz n TYR 103 Ca -0.02 0.32 -0.43 0.00 -0.01 0.00 0.00 57.90 57.76 3kqz n TYR 103 Cb 0.49 -1.00 -0.03 0.00 -0.02 0.00 0.00 39.34 38.78 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -6.78 6.44 0.45 7.72 -0.87 -1.26 -5.00 114.94 115.64 3kqz s ASN 104 Ca -0.29 -1.55 -0.02 0.00 -1.57 0.00 0.00 52.86 49.44 3kqz s ASN 104 Cb 0.07 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.25 38.85 3kqz s ASN 104 CO 0.51 -1.28 0.70 0.42 -2.57 0.00 0.00 177.10 174.87 3kqz s THR 105 N 3.59 4.42 0.52 1.60 -4.23 -1.26 -4.96 115.64 115.32 3kqz s THR 105 Ca 0.31 -0.27 0.22 0.00 -1.18 0.00 0.00 61.69 60.77 3kqz s THR 105 Cb -0.08 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.46 3kqz s THR 105 CO -0.02 -0.52 2.03 -0.65 -0.54 0.00 0.00 174.62 174.92 3kqz h PRO 106 N 0.37 0.04 -0.11 3.99 0.11 -1.99 -1.02 132.00 133.39 3kqz h PRO 106 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3kqz h PRO 106 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kqz h PRO 106 CO 0.60 0.03 -0.09 0.82 -0.21 0.00 0.00 178.00 179.15 3kqz h ILE 107 N 0.05 1.13 0.00 4.15 1.08 -1.94 0.11 117.51 122.09 3kqz h ILE 107 Ca 0.20 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3kqz h ILE 107 Cb 0.72 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 3kqz h ILE 107 CO -0.01 0.17 0.00 1.41 -0.69 0.00 0.00 178.15 179.03 3kqz n HIS 108 N -4.35 0.79 1.35 1.37 8.25 -0.39 -2.14 115.22 120.11 3kqz n HIS 108 Ca -0.01 0.32 0.13 0.00 -0.26 0.00 0.00 57.72 57.90 3kqz n HIS 108 Cb 0.21 -1.01 0.41 0.00 1.12 0.00 0.00 29.99 30.73 3kqz n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqz n ASP 109 N -2.23 1.56 -4.64 0.41 8.00 0.02 -4.84 116.55 114.84 3kqz n ASP 109 Ca 0.02 -1.39 -0.43 0.00 0.71 0.00 0.00 54.79 53.70 3kqz n ASP 109 Cb 0.22 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3kqz n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 110 N -2.16 4.62 -0.29 0.53 1.01 -0.91 -4.78 121.20 119.22 3kqz s ILE 110 Ca 0.32 1.65 -0.28 0.00 0.00 0.00 0.00 60.65 62.34 3kqz s ILE 110 Cb 0.20 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3kqz s ILE 110 CO 0.39 -0.36 1.03 -0.54 0.00 0.00 0.00 174.94 175.46 3kqz s LYS 111 N 3.39 4.11 -0.16 2.79 1.02 -0.13 -4.90 119.74 125.86 3kqz s LYS 111 Ca 0.42 1.10 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 3kqz s LYS 111 Cb -0.13 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3kqz s LYS 111 CO 0.13 -0.80 -0.03 0.08 -0.92 0.00 0.00 175.35 173.81 3kqz s VAL 112 N 3.45 3.91 0.03 3.17 1.01 -1.26 0.43 120.40 131.15 3kqz s VAL 112 Ca 0.44 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.12 3kqz s VAL 112 Cb -0.13 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3kqz s VAL 112 CO 0.12 0.48 -0.16 -1.10 0.00 0.00 0.00 175.10 174.45 3kqz s GLN 113 N 0.47 1.07 -0.24 2.72 -0.21 -0.40 -4.98 119.66 118.08 3kqz s GLN 113 Ca -0.03 -0.77 -0.05 0.00 0.02 0.00 0.00 55.36 54.53 3kqz s GLN 113 Cb -0.14 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 32.77 3kqz s GLN 113 CO 0.03 0.28 0.01 0.08 -2.12 0.00 0.00 175.29 173.56 3kqz s VAL 114 N -0.77 3.66 0.22 1.09 1.01 -1.26 -0.63 120.40 123.71 3kqz s VAL 114 Ca 0.03 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3kqz s VAL 114 Cb -0.08 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3kqz s VAL 114 CO 0.01 0.31 0.05 -0.31 0.00 0.00 0.00 175.10 175.17 3kqz s TYR 115 N 1.50 2.88 -0.11 5.22 1.51 0.17 -4.86 117.35 123.66 3kqz s TYR 115 Ca 0.05 -0.15 -0.28 0.00 -1.01 0.00 0.00 57.07 55.69 3kqz s TYR 115 Cb -0.15 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3kqz s TYR 115 CO -0.01 0.55 0.92 0.34 -1.11 0.00 0.00 175.55 176.24 3kqz s ASP 116 N -3.35 7.15 0.29 2.29 -1.08 -1.26 -0.98 116.67 119.72 3kqz s ASP 116 Ca 0.30 1.40 0.04 0.00 -0.52 0.00 0.00 52.55 53.77 3kqz s ASP 116 Cb -0.08 -2.51 0.67 0.00 -1.46 0.00 0.00 42.92 39.53 3kqz s ASP 116 CO 0.21 -0.37 1.79 0.16 0.52 0.00 0.00 175.17 177.48 3kqz h ILE 117 N 5.05 0.78 0.00 4.11 -0.00 -1.85 -1.58 117.51 124.01 3kqz h ILE 117 Ca -0.33 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.25 3kqz h ILE 117 Cb 1.16 -0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.85 3kqz h ILE 117 CO 0.83 0.15 0.00 2.29 -0.00 0.00 0.00 178.15 181.42 3kqz n LYS 118 N -4.73 0.05 0.01 0.16 0.00 -1.26 -1.21 118.16 111.18 3kqz n LYS 118 Ca 0.22 0.28 0.11 0.00 -0.00 0.00 0.00 58.31 58.92 3kqz n LYS 118 Cb 0.49 -1.50 0.10 0.00 -0.00 0.00 0.00 35.03 34.12 3kqz n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kqz n GLY 119 N -0.88 -1.18 0.00 2.58 0.00 -0.59 -5.10 105.19 100.02 3kqz n GLY 119 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3kqz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 120 N 1.47 -1.44 3.43 -0.02 0.00 -0.35 -5.03 105.19 103.25 3kqz n GLY 120 Ca 0.04 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 0.19 6.18 -0.68 0.00 0.01 -1.26 -0.75 114.94 118.63 3kqz s ASN 122 Ca -0.06 0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.31 3kqz s ASN 122 Cb -0.15 -2.16 0.35 0.00 0.41 0.00 0.00 41.25 39.71 3kqz s ASN 122 CO 0.04 -0.05 1.28 0.52 -1.51 0.00 0.00 177.10 177.39 3kqz n VAL 123 N 4.69 3.70 0.07 1.60 0.31 -1.26 -4.83 118.33 122.61 3kqz n VAL 123 Ca -0.12 -5.44 -0.17 0.00 -0.01 0.00 0.00 64.34 58.60 3kqz n VAL 123 Cb 0.52 -1.39 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 3kqz n VAL 123 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kqz h GLU 124 N 3.19 0.52 -5.17 5.55 4.11 -1.95 -3.47 114.58 117.36 3kqz h GLU 124 Ca 0.30 -0.62 -0.39 0.00 0.07 0.00 0.00 59.36 58.72 3kqz h GLU 124 Cb 0.50 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 29.71 3kqz h GLU 124 CO 0.96 1.24 -0.77 -1.83 0.07 0.00 0.00 179.01 178.68 3kqz s GLU 125 N -3.16 0.77 7.57 1.06 -1.05 -1.26 -4.76 118.70 117.87 3kqz s GLU 125 Ca -0.07 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 3kqz s GLU 125 Cb 0.07 -0.73 0.00 0.00 -0.44 0.00 0.00 34.13 33.03 3kqz s GLU 125 CO 0.90 0.16 0.00 0.41 0.95 0.00 0.00 175.26 177.68 3kqz n GLY 126 N 1.45 2.94 2.98 -3.83 0.00 -1.26 -4.70 105.19 102.77 3kqz n GLY 126 Ca -0.21 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 1.53 -0.18 0.99 2.96 -0.22 -1.13 118.68 122.63 3kqz s LEU 127 Ca 0.00 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3kqz s LEU 127 Cb 0.00 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 3kqz s LEU 127 CO 0.00 -0.07 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.05 3kqz s THR 128 N 1.55 3.93 -0.09 3.68 2.01 0.19 -0.14 115.64 126.78 3kqz s THR 128 Ca 0.05 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3kqz s THR 128 Cb -0.13 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.64 3kqz s THR 128 CO -0.10 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.49 3kqz s ILE 129 N 0.67 1.55 -0.31 1.82 -1.09 0.20 -1.11 121.20 122.94 3kqz s ILE 129 Ca -0.01 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 3kqz s ILE 129 Cb -0.14 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.32 3kqz s ILE 129 CO 0.02 0.45 0.21 -0.36 -1.23 0.00 0.00 174.94 174.03 3kqz s PHE 130 N 0.62 3.22 -0.70 3.97 0.40 0.51 0.14 117.98 126.15 3kqz s PHE 130 Ca -0.14 -0.08 -0.27 0.00 -0.60 0.00 0.00 56.93 55.84 3kqz s PHE 130 Cb -0.16 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 40.97 3kqz s PHE 130 CO 0.04 -0.27 1.40 -0.51 0.70 0.00 0.00 175.22 176.59 3kqz s LEU 131 N 1.73 3.21 -0.04 -0.37 1.43 0.10 -0.81 118.68 123.94 3kqz s LEU 131 Ca 0.06 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3kqz s LEU 131 Cb -0.17 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 3kqz s LEU 131 CO 0.10 -1.93 -0.19 0.68 0.23 0.00 0.00 176.35 175.24 3kqz s VAL 132 N 6.42 2.61 0.37 -1.59 -7.23 -1.14 -1.82 120.40 118.02 3kqz s VAL 132 Ca 0.43 -0.89 0.08 0.00 -1.81 0.00 0.00 61.98 59.79 3kqz s VAL 132 Cb -0.09 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 3kqz s VAL 132 CO 0.17 0.58 -0.05 0.54 -0.31 0.00 0.00 175.10 176.03 3kqz s ASN 133 N -0.61 3.74 -0.44 4.85 2.20 -1.26 -0.72 114.94 122.71 3kqz s ASN 133 Ca 0.09 -1.27 0.02 0.00 -0.94 0.00 0.00 52.86 50.76 3kqz s ASN 133 Cb -0.11 -0.36 0.14 0.00 -2.00 0.00 0.00 41.25 38.92 3kqz s ASN 133 CO 0.00 -0.31 0.25 0.21 -2.94 0.00 0.00 177.10 174.32 3kqz s ASN 134 N -3.64 3.41 0.43 3.54 3.04 -0.31 -4.87 114.94 116.54 3kqz s ASN 134 Ca 0.33 -2.64 -0.25 0.00 0.04 0.00 0.00 52.86 50.34 3kqz s ASN 134 Cb 0.06 -0.90 -0.10 0.00 -1.54 0.00 0.00 41.25 38.77 3kqz s ASN 134 CO 0.17 -0.26 1.24 -2.65 -3.04 0.00 0.00 177.10 172.57 3kqz n PRO 135 N 3.50 1.85 0.00 0.43 -0.02 -1.26 -4.29 135.00 135.21 3kqz n PRO 135 Ca 0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3kqz n PRO 135 Cb 0.36 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3kqz n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 136 N 0.85 3.24 2.44 -1.23 0.00 -1.26 -5.05 105.19 104.19 3kqz n GLY 136 Ca 0.07 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3kqz n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kqz n ASN 139 N 0.80 7.34 -4.56 1.61 5.03 -1.26 -5.00 115.26 119.23 3kqz n ASN 139 Ca 0.00 -2.68 -0.26 0.00 0.87 0.00 0.00 54.58 52.51 3kqz n ASN 139 Cb 0.00 -1.58 0.12 0.00 -1.02 0.00 0.00 39.78 37.31 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqz s GLY 140 N 2.36 1.75 0.54 7.41 0.00 -1.26 -4.44 107.32 113.68 3kqz s GLY 140 Ca 0.62 -1.38 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 3kqz s GLY 140 CO -0.07 -0.79 1.24 -1.05 0.00 0.00 0.00 173.10 172.44 3kqz n PRO 141 N -3.15 1.49 -2.76 2.90 -0.02 -1.26 -0.15 135.00 132.06 3kqz n PRO 141 Ca 0.13 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 3kqz n PRO 141 Cb 0.60 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3kqz n PRO 141 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqz s VAL 142 N -1.33 4.58 -0.03 -1.45 1.01 -0.35 -4.63 120.40 118.20 3kqz s VAL 142 Ca 0.72 1.42 0.07 0.00 0.00 0.00 0.00 61.98 64.18 3kqz s VAL 142 Cb -0.43 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 3kqz s VAL 142 CO 0.49 -0.47 -0.22 -0.54 0.00 0.00 0.00 175.10 174.36 3kqz s LYS 143 N 3.48 2.25 -0.16 2.72 1.02 -1.26 -3.46 119.74 124.33 3kqz s LYS 143 Ca 0.40 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 3kqz s LYS 143 Cb -0.12 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3kqz s LYS 143 CO 0.16 0.58 -0.06 0.42 -0.92 0.00 0.00 175.35 175.53 3kqz s ILE 144 N -0.64 3.65 -0.25 2.17 1.09 -1.26 -4.93 121.20 121.03 3kqz s ILE 144 Ca 0.10 -0.44 -0.08 0.00 -1.10 0.00 0.00 60.65 59.13 3kqz s ILE 144 Cb -0.10 -2.59 -0.16 0.00 -1.06 0.00 0.00 42.46 38.54 3kqz s ILE 144 CO -0.00 0.49 -0.17 -0.24 -0.10 0.00 0.00 174.94 174.92 3kqz n SER 145 N 3.65 1.98 -4.76 3.58 2.88 -1.26 -4.94 113.62 114.75 3kqz n SER 145 Ca -0.18 0.14 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 3kqz n SER 145 Cb 0.52 -0.67 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 3kqz n SER 145 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kqz s SER 146 N -7.00 5.61 0.14 -3.46 1.04 -1.26 -4.98 113.70 103.79 3kqz s SER 146 Ca -0.35 2.42 -0.28 0.00 0.48 0.00 0.00 55.95 58.22 3kqz s SER 146 Cb 0.11 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 3kqz s SER 146 CO 0.57 -1.31 0.87 -1.59 0.98 0.00 0.00 173.24 172.77 3kqz s LYS 147 N -3.01 4.67 -0.28 4.02 0.00 -1.26 -4.94 119.74 118.93 3kqz s LYS 147 Ca 0.71 1.31 -0.02 0.00 0.00 0.00 0.00 55.97 57.97 3kqz s LYS 147 Cb -0.31 -3.33 0.04 0.00 0.00 0.00 0.00 37.83 34.23 3kqz s LYS 147 CO 0.36 0.38 -0.01 0.08 0.00 0.00 0.00 175.35 176.16 3kqz s VAL 148 N -0.55 3.08 -1.02 1.79 1.01 -1.26 -0.42 120.40 123.03 3kqz s VAL 148 Ca 0.41 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3kqz s VAL 148 Cb -0.23 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3kqz s VAL 148 CO 0.28 0.02 2.08 0.59 0.00 0.00 0.00 175.10 178.07 3kqz n ASN 149 N 4.67 3.50 0.00 3.32 3.02 0.07 -4.59 115.26 125.25 3kqz n ASN 149 Ca -0.14 -2.67 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 3kqz n ASN 149 Cb 0.45 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kqz n ASP 150 N 6.49 0.00 -3.75 6.41 2.03 -1.26 -4.61 116.55 121.85 3kqz n ASP 150 Ca 0.51 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.52 3kqz n ASP 150 Cb 0.36 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.62 3kqz n ASP 150 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3kqz s LYS 151 N -0.06 1.03 0.00 -0.67 0.00 -1.26 -1.90 119.74 116.87 3kqz s LYS 151 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 55.97 54.42 3kqz s LYS 151 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 37.83 35.58 3kqz s LYS 151 CO 0.00 -1.06 0.00 1.55 0.00 0.00 0.00 175.35 175.84 3kqz n VAL 153 N 4.23 0.00 -0.08 1.79 3.14 -1.26 -4.63 118.33 121.52 3kqz n VAL 153 Ca 0.03 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.26 3kqz n VAL 153 Cb 0.39 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.13 3kqz n VAL 153 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3kqz h SER 154 N 0.00 0.99 0.20 6.55 0.02 -1.69 0.32 113.55 119.94 3kqz h SER 154 Ca 0.00 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 3kqz h SER 154 Cb 0.00 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 3kqz h SER 154 CO 0.00 1.33 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.56 3kqz h GLU 155 N 0.68 0.00 -0.20 3.45 5.08 -1.85 -1.01 114.58 120.73 3kqz h GLU 155 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3kqz h GLU 155 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kqz h GLU 155 CO 0.12 0.13 -0.54 0.35 -1.00 0.00 0.00 179.01 178.07 3kqz h PHE 156 N 0.00 0.93 -0.11 4.33 3.57 -1.72 -3.24 116.94 120.69 3kqz h PHE 156 Ca -0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3kqz h PHE 156 Cb 0.26 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3kqz h PHE 156 CO 0.00 1.16 0.00 1.28 -2.23 0.00 0.00 178.31 178.52 3kqz n LEU 157 N -4.11 0.96 -4.67 0.59 4.77 0.10 -4.46 117.00 110.18 3kqz n LEU 157 Ca -0.06 -0.42 -0.44 0.00 -0.03 0.00 0.00 56.01 55.06 3kqz n LEU 157 Cb 0.62 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3kqz n LEU 157 CO 0.49 0.21 0.90 0.29 -1.33 0.00 0.00 177.39 177.94 3kqz n LYS 158 N -0.12 1.94 -0.31 3.23 4.76 -0.43 -4.56 118.16 122.68 3kqz n LYS 158 Ca 0.13 0.69 0.15 0.00 -2.87 0.00 0.00 58.31 56.41 3kqz n LYS 158 Cb 0.20 -2.27 0.33 0.00 -1.84 0.00 0.00 35.03 31.45 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqz h ASP 159 N 3.23 0.17 -0.68 4.39 3.32 -1.92 -1.08 116.42 123.85 3kqz h ASP 159 Ca -0.45 0.19 0.13 0.00 0.02 0.00 0.00 57.03 56.92 3kqz h ASP 159 Cb 1.29 0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.96 3kqz h ASP 159 CO 0.68 -0.12 0.20 -0.33 -1.72 0.00 0.00 179.24 177.95 3kqz h GLU 160 N 0.27 0.32 0.06 3.56 3.07 -1.96 -0.35 114.58 119.56 3kqz h GLU 160 Ca 0.59 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.36 59.18 3kqz h GLU 160 Cb 1.22 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 29.08 3kqz h GLU 160 CO -0.62 0.21 -1.01 -2.95 -1.40 0.00 0.00 179.01 173.25 3kqz h ASN 161 N 0.33 0.79 0.02 1.42 7.08 -1.51 -3.33 115.58 120.38 3kqz h ASN 161 Ca 0.37 -0.79 -0.05 0.00 -3.08 0.00 0.00 56.30 52.74 3kqz h ASN 161 Cb 0.57 -0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 36.55 3kqz h ASN 161 CO -0.42 1.49 -0.14 0.24 -2.08 0.00 0.00 177.43 176.52 3kqz h MET 162 N 0.18 0.26 -0.17 4.14 0.00 -1.23 -2.85 114.93 115.25 3kqz h MET 162 Ca -0.14 -0.06 0.05 0.00 0.00 0.00 0.00 59.70 59.55 3kqz h MET 162 Cb 1.69 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 33.25 3kqz h MET 162 CO 0.20 0.40 0.22 0.93 0.00 0.00 0.00 176.91 178.66 3kqz h GLU 163 N 0.24 0.00 0.00 1.72 3.07 -1.09 0.47 114.58 118.99 3kqz h GLU 163 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kqz h GLU 163 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3kqz h GLU 163 CO 0.02 0.00 0.00 1.57 -1.40 0.00 0.00 179.01 179.20 3kqz h LYS 164 N 0.00 0.00 -6.12 2.33 5.09 -1.69 -3.44 116.57 112.74 3kqz h LYS 164 Ca 0.08 0.00 -0.57 0.00 0.09 0.00 0.00 60.65 60.25 3kqz h LYS 164 Cb 0.52 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.75 3kqz h LYS 164 CO -0.00 0.00 -0.64 -0.06 -2.09 0.00 0.00 179.45 176.66 3kqz s PHE 165 N -3.99 2.59 0.17 0.07 2.99 0.15 -5.06 117.98 114.91 3kqz s PHE 165 Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 56.93 56.62 3kqz s PHE 165 Cb 0.11 -1.33 -0.04 0.00 0.00 0.00 0.00 43.02 41.76 3kqz s PHE 165 CO 0.39 0.55 -0.12 0.54 -0.00 0.00 0.00 175.22 176.58 3kqz s ASN 166 N -3.69 2.05 0.00 1.36 2.20 -1.26 -1.22 114.94 114.39 3kqz s ASN 166 Ca 0.33 -1.01 0.16 0.00 -0.94 0.00 0.00 52.86 51.40 3kqz s ASN 166 Cb -0.03 -0.05 0.46 0.00 -2.00 0.00 0.00 41.25 39.62 3kqz s ASN 166 CO 0.19 -0.27 1.37 0.52 -2.94 0.00 0.00 177.10 175.97 3kqz n VAL 167 N -0.24 0.54 -1.56 3.54 0.31 0.79 -4.72 118.33 117.00 3kqz n VAL 167 Ca -0.10 -0.58 -0.55 0.00 -0.01 0.00 0.00 64.34 63.11 3kqz n VAL 167 Cb 0.60 0.36 -0.07 0.00 -0.91 0.00 0.00 33.84 33.82 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kqz n LYS 168 N 0.80 0.66 -1.66 5.55 3.00 -1.26 0.29 118.16 125.53 3kqz n LYS 168 Ca 0.16 0.24 -0.48 0.00 -0.00 0.00 0.00 58.31 58.23 3kqz n LYS 168 Cb 0.39 -1.82 -0.05 0.00 0.00 0.00 0.00 35.03 33.55 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3kqz n LEU 169 N 2.14 2.85 0.00 3.14 0.00 -1.26 -1.20 117.00 122.67 3kqz n LEU 169 Ca 0.19 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.27 3kqz n LEU 169 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.20 3kqz n LEU 169 CO 0.62 -0.40 0.00 0.61 0.00 0.00 0.00 177.39 178.22 3kqz n GLY 170 N 3.44 1.85 3.75 -3.96 0.00 0.10 -4.92 105.19 105.45 3kqz n GLY 170 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s THR 171 N -3.21 2.29 0.12 2.61 2.01 -0.34 -4.74 115.64 114.38 3kqz s THR 171 Ca 0.00 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.28 3kqz s THR 171 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3kqz s THR 171 CO 0.00 0.04 -0.09 -0.94 -0.69 0.00 0.00 174.62 172.94 3kqz s SER 172 N 0.48 1.48 0.01 3.53 1.04 -1.26 0.15 113.70 119.13 3kqz s SER 172 Ca 0.62 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 3kqz s SER 172 Cb -0.46 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.70 3kqz s SER 172 CO 0.45 -0.38 0.14 -0.54 0.98 0.00 0.00 173.24 173.90 3kqz s LYS 173 N -3.66 0.53 -0.22 4.02 1.02 -1.12 -4.99 119.74 115.32 3kqz s LYS 173 Ca 0.13 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.47 3kqz s LYS 173 Cb 0.03 0.22 0.06 0.00 -0.52 0.00 0.00 37.83 37.62 3kqz s LYS 173 CO -0.02 -0.13 0.56 -3.38 -0.92 0.00 0.00 175.35 171.46 3kqz s HIS 174 N -1.76 -0.75 -0.01 3.18 -3.43 -1.26 -2.01 115.29 109.25 3kqz s HIS 174 Ca -0.12 1.65 0.08 0.00 -0.80 0.00 0.00 55.06 55.86 3kqz s HIS 174 Cb -0.06 0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 31.42 3kqz s HIS 174 CO -0.00 -0.38 -0.24 -0.06 -2.00 0.00 0.00 174.74 172.06 3kqz s PHE 175 N 1.00 2.40 0.15 0.38 0.08 0.18 -4.93 117.98 117.23 3kqz s PHE 175 Ca -0.06 -0.38 -0.25 0.00 0.12 0.00 0.00 56.93 56.36 3kqz s PHE 175 Cb -0.05 -1.49 -0.08 0.00 -0.57 0.00 0.00 43.02 40.83 3kqz s PHE 175 CO -0.09 0.05 0.78 0.71 -0.10 0.00 0.00 175.22 176.57 3kqz s TYR 176 N -0.69 3.89 0.07 0.36 2.02 -1.26 -0.74 117.35 120.99 3kqz s TYR 176 Ca 0.11 1.63 -0.23 0.00 -0.37 0.00 0.00 57.07 58.20 3kqz s TYR 176 Cb -0.10 -2.78 0.06 0.00 -0.40 0.00 0.00 41.96 38.73 3kqz s TYR 176 CO 0.00 0.48 0.56 0.00 -1.57 0.00 0.00 175.55 175.02 3kqz s MET 177 N -1.00 1.11 -0.05 -0.62 0.23 0.25 -4.99 119.30 114.23 3kqz s MET 177 Ca 0.36 -0.26 -0.25 0.00 -1.03 0.00 0.00 55.69 54.51 3kqz s MET 177 Cb -0.23 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 3kqz s MET 177 CO 0.26 -0.42 0.77 -0.59 -2.03 0.00 0.00 175.02 173.01 3kqz s PHE 178 N -2.72 3.60 0.00 3.16 -0.71 -1.26 -0.05 117.98 120.00 3kqz s PHE 178 Ca -0.04 1.36 0.00 0.00 -1.04 0.00 0.00 56.93 57.21 3kqz s PHE 178 Cb -0.00 -2.88 0.00 0.00 -1.21 0.00 0.00 43.02 38.92 3kqz s PHE 178 CO -0.04 0.06 0.00 0.27 -1.34 0.00 0.00 175.22 174.17 3kqz n ASN 179 N 3.82 0.00 0.08 1.98 6.94 0.15 -4.84 115.26 123.39 3kqz n ASN 179 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.44 3kqz n ASN 179 Cb 0.51 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.85 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kqz h ASP 180 N 0.00 -0.14 0.00 0.53 3.32 -1.87 -3.07 116.42 115.19 3kqz h ASP 180 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3kqz h ASP 180 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kqz h ASP 180 CO 0.00 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 3kqz n ASN 181 N -5.07 0.26 0.00 6.45 3.02 -1.26 -4.79 115.26 113.88 3kqz n ASN 181 Ca -0.09 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3kqz n ASN 181 Cb 0.17 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N -0.35 0.00 -2.60 3.52 0.00 -1.16 -5.02 118.16 112.55 3kqz n LYS 182 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 3kqz n LYS 182 Cb 0.07 -2.51 -0.04 0.00 -0.00 0.00 0.00 35.03 32.54 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3kqz s ASN 183 N -3.00 6.53 -0.29 -5.58 0.01 -1.26 -4.55 114.94 106.80 3kqz s ASN 183 Ca 0.00 1.89 -0.29 0.00 -0.71 0.00 0.00 52.86 53.75 3kqz s ASN 183 Cb 0.00 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.11 3kqz s ASN 183 CO 0.00 -0.65 1.20 -0.55 -1.51 0.00 0.00 177.10 175.59 3kqz s SER 184 N -1.96 6.82 0.22 -1.22 0.15 -1.26 0.31 113.70 116.75 3kqz s SER 184 Ca 0.65 1.19 0.11 0.00 0.70 0.00 0.00 55.95 58.60 3kqz s SER 184 Cb -0.16 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 3kqz s SER 184 CO 0.20 -0.96 -0.22 -0.69 1.20 0.00 0.00 173.24 172.76 3kqz s VAL 185 N 3.96 2.36 -0.10 4.45 1.01 0.93 -4.29 120.40 128.71 3kqz s VAL 185 Ca 0.51 -2.14 0.02 0.00 0.00 0.00 0.00 61.98 60.36 3kqz s VAL 185 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3kqz s VAL 185 CO 0.19 -0.22 -0.14 0.00 0.00 0.00 0.00 175.10 174.93 3kqz s ALA 186 N -1.96 1.55 -0.03 5.51 0.00 -0.28 -0.58 121.76 125.96 3kqz s ALA 186 Ca 0.23 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.60 3kqz s ALA 186 Cb -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3kqz s ALA 186 CO 0.11 -0.08 -0.17 0.54 0.00 0.00 0.00 175.76 176.16 3kqz s VAL 187 N 1.01 2.84 0.25 0.00 0.11 0.08 -0.64 120.40 124.05 3kqz s VAL 187 Ca -0.07 -0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 57.94 3kqz s VAL 187 Cb -0.15 -2.11 0.06 0.00 -1.53 0.00 0.00 36.38 32.66 3kqz s VAL 187 CO -0.01 0.55 0.86 0.61 -3.33 0.00 0.00 175.10 173.77 3kqz n GLY 188 N 2.20 0.82 3.15 6.54 0.00 -0.27 -0.65 105.19 116.99 3kqz n GLY 188 Ca -0.17 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3kqz n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqz s TYR 189 N -2.54 0.83 -0.17 1.61 1.13 -0.85 -0.36 117.35 117.00 3kqz s TYR 189 Ca 0.18 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.97 3kqz s TYR 189 Cb -0.03 -0.49 0.01 0.00 -1.10 0.00 0.00 41.96 40.34 3kqz s TYR 189 CO 0.08 -0.16 -0.16 0.08 -2.51 0.00 0.00 175.55 172.87 3kqz s VAL 190 N -3.37 2.50 -0.22 -3.49 1.01 0.01 -2.78 120.40 114.06 3kqz s VAL 190 Ca 0.09 -0.81 -0.40 0.00 0.00 0.00 0.00 61.98 60.86 3kqz s VAL 190 Cb 0.04 -2.06 -0.16 0.00 0.00 0.00 0.00 36.38 34.19 3kqz s VAL 190 CO -0.05 0.51 1.64 0.61 0.00 0.00 0.00 175.10 177.82 3kqz n GLY 191 N 4.32 0.72 0.43 4.51 0.00 0.39 -2.86 105.19 112.70 3kqz n GLY 191 Ca -0.20 0.89 0.08 0.00 0.00 0.00 0.00 46.02 46.79 3kqz n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz n GLY 193 N -0.72 0.90 0.05 0.00 0.00 0.14 -4.44 105.19 101.12 3kqz n GLY 193 Ca 0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 3kqz n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kqz n SER 194 N -2.84 1.93 -4.66 1.61 7.64 -1.26 -1.16 113.62 114.88 3kqz n SER 194 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.41 3kqz n SER 194 Cb 0.00 1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 64.18 3kqz n SER 194 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3kqz n VAL 195 N -2.33 0.32 0.05 0.44 0.31 -1.26 -4.13 118.33 111.73 3kqz n VAL 195 Ca -0.16 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 3kqz n VAL 195 Cb 0.76 -1.39 -0.01 0.00 -0.91 0.00 0.00 33.84 32.28 3kqz n VAL 195 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kqz h ALA 196 N 5.13 -0.33 -2.26 3.52 0.00 -1.93 -3.42 119.26 119.97 3kqz h ALA 196 Ca -0.45 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 3kqz h ALA 196 Cb 1.27 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3kqz h ALA 196 CO 0.83 -0.32 0.59 0.16 0.00 0.00 0.00 179.25 180.51 3kqz s ASP 197 N -3.63 7.22 0.17 0.00 1.47 -1.26 -4.71 116.67 115.93 3kqz s ASP 197 Ca -0.02 1.56 -0.18 0.00 1.18 0.00 0.00 52.55 55.08 3kqz s ASP 197 Cb 0.00 -2.56 -0.08 0.00 -0.34 0.00 0.00 42.92 39.95 3kqz s ASP 197 CO 0.07 -0.47 0.65 -0.76 0.68 0.00 0.00 175.17 175.34 3kqz s LEU 198 N 2.07 4.39 0.68 2.11 1.02 -1.26 -5.09 118.68 122.60 3kqz s LEU 198 Ca 0.49 1.31 -0.11 0.00 0.02 0.00 0.00 54.13 55.84 3kqz s LEU 198 Cb -0.19 -3.36 -0.00 0.00 0.02 0.00 0.00 46.19 42.66 3kqz s LEU 198 CO 0.18 0.11 1.06 -0.94 0.02 0.00 0.00 176.35 176.77 3kqz s SER 199 N -1.55 5.64 0.32 2.29 1.04 -1.26 -4.90 113.70 115.28 3kqz s SER 199 Ca 0.39 1.44 0.09 0.00 0.48 0.00 0.00 55.95 58.35 3kqz s SER 199 Cb -0.17 -2.37 0.94 0.00 0.10 0.00 0.00 66.02 64.53 3kqz s SER 199 CO 0.20 -1.25 1.65 -0.08 0.98 0.00 0.00 173.24 174.74 3kqz h GLU 200 N -0.59 0.24 0.00 4.02 4.22 -1.98 -0.92 114.58 119.57 3kqz h GLU 200 Ca -0.44 -0.01 -0.25 0.00 0.08 0.00 0.00 59.36 58.74 3kqz h GLU 200 Cb 1.21 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.43 3kqz h GLU 200 CO 0.60 0.16 -0.96 0.00 -2.18 0.00 0.00 179.01 176.62 3kqz h ALA 201 N 1.84 0.12 -0.72 2.92 0.00 -1.95 -2.43 119.26 119.03 3kqz h ALA 201 Ca 0.67 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kqz h ALA 201 Cb 1.47 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3kqz h ALA 201 CO -0.65 0.62 0.37 -0.44 0.00 0.00 0.00 179.25 179.15 3kqz h ASP 202 N 0.30 0.92 -0.41 0.00 3.45 -1.88 -2.35 116.42 116.45 3kqz h ASP 202 Ca -0.12 -0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.24 3kqz h ASP 202 Cb 1.63 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 40.14 3kqz h ASP 202 CO 0.19 0.77 0.25 -0.03 -1.57 0.00 0.00 179.24 178.85 3kqz h MET 203 N 1.00 0.49 -0.92 3.56 4.05 -1.09 -0.26 114.93 121.76 3kqz h MET 203 Ca 0.25 -0.03 0.21 0.00 -0.28 0.00 0.00 59.70 59.85 3kqz h MET 203 Cb 0.07 -0.11 -0.12 0.00 -0.80 0.00 0.00 31.60 30.64 3kqz h MET 203 CO -0.04 0.33 0.47 0.87 0.23 0.00 0.00 176.91 178.77 3kqz h LYS 204 N 0.51 0.50 -0.15 0.39 6.56 -1.18 0.80 116.57 124.01 3kqz h LYS 204 Ca 0.16 -0.03 -0.18 0.00 -1.06 0.00 0.00 60.65 59.54 3kqz h LYS 204 Cb -0.01 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.53 3kqz h LYS 204 CO -0.06 0.33 -0.64 0.00 -2.06 0.00 0.00 179.45 177.02 3kqz h ARG 205 N 0.51 0.53 -0.19 3.15 3.08 -0.57 0.64 114.38 121.54 3kqz h ARG 205 Ca 0.57 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3kqz h ARG 205 Cb 1.02 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3kqz h ARG 205 CO -0.47 1.00 0.05 0.28 -1.07 0.00 0.00 179.97 179.76 3kqz h VAL 206 N 0.39 1.20 -0.62 2.04 2.07 -0.36 -2.67 116.25 118.29 3kqz h VAL 206 Ca -0.01 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3kqz h VAL 206 Cb 1.20 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3kqz h VAL 206 CO 0.12 0.19 0.18 0.58 0.02 0.00 0.00 177.57 178.66 3kqz h VAL 207 N 0.12 1.25 -0.95 2.57 2.07 -0.53 -1.37 116.25 119.41 3kqz h VAL 207 Ca 0.06 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3kqz h VAL 207 Cb 0.25 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3kqz h VAL 207 CO -0.00 0.33 0.62 -0.07 0.02 0.00 0.00 177.57 178.46 3kqz h LEU 208 N 0.90 1.10 -0.67 2.57 3.38 -0.82 0.31 115.31 122.08 3kqz h LEU 208 Ca 0.20 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 208 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kqz h LEU 208 CO -0.00 0.81 -0.45 -1.28 0.09 0.00 0.00 178.44 177.61 3kqz h SER 209 N 1.29 0.54 0.17 -0.43 0.87 -1.18 0.30 113.55 115.11 3kqz h SER 209 Ca 0.35 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3kqz h SER 209 Cb -0.13 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3kqz h SER 209 CO -0.07 0.92 -0.08 0.25 -0.53 0.00 0.00 176.83 177.31 3kqz h LEU 210 N 0.41 -0.20 -1.33 2.23 5.85 -0.16 -2.88 115.31 119.22 3kqz h LEU 210 Ca 0.03 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3kqz h LEU 210 Cb 0.95 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3kqz h LEU 210 CO 0.08 -0.07 -0.10 0.58 -0.34 0.00 0.00 178.44 178.59 3kqz h VAL 211 N -0.31 1.19 -0.46 1.05 2.07 -0.20 -0.98 116.25 118.61 3kqz h VAL 211 Ca -0.02 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.77 3kqz h VAL 211 Cb 0.24 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3kqz h VAL 211 CO 0.04 0.26 0.05 0.74 0.02 0.00 0.00 177.57 178.68 3kqz h THR 212 N 0.31 0.70 -0.57 2.57 2.02 -0.37 -0.45 112.91 117.12 3kqz h THR 212 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3kqz h THR 212 Cb 0.38 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3kqz h THR 212 CO 0.02 0.03 0.11 0.24 0.37 0.00 0.00 175.52 176.29 3kqz h MET 213 N 0.17 0.90 0.00 6.66 2.07 -1.03 -3.12 114.93 120.58 3kqz h MET 213 Ca 0.23 -0.21 -0.17 0.00 -2.07 0.00 0.00 59.70 57.48 3kqz h MET 213 Cb 0.31 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 3kqz h MET 213 CO -0.33 0.83 -0.82 -0.07 1.07 0.00 0.00 176.91 177.59 3kqz h LEU 214 N 0.86 0.03 -0.99 1.22 3.38 -0.73 -3.01 115.31 116.06 3kqz h LEU 214 Ca 0.18 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kqz h LEU 214 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kqz h LEU 214 CO 0.01 0.83 -0.18 0.45 0.09 0.00 0.00 178.44 179.64 3kqz h HIS 215 N 0.01 0.00 -0.86 1.13 3.86 -1.04 -3.15 115.15 115.11 3kqz h HIS 215 Ca -0.01 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.63 3kqz h HIS 215 Cb 1.44 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 29.49 3kqz h HIS 215 CO 0.00 0.18 -0.71 -0.40 0.86 0.00 0.00 177.93 177.86 3kqz n ASP 216 N -3.29 5.07 -3.65 2.45 5.68 -1.14 -4.93 116.55 116.73 3kqz n ASP 216 Ca 0.01 -3.75 -0.10 0.00 -0.50 0.00 0.00 54.79 50.45 3kqz n ASP 216 Cb 0.44 -0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 3kqz n ASP 216 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kqz s ASN 217 N -3.48 -0.08 -0.61 -1.12 -0.87 -1.19 -5.04 114.94 102.54 3kqz s ASN 217 Ca 0.51 0.88 -0.27 0.00 -1.57 0.00 0.00 52.86 52.41 3kqz s ASN 217 Cb 0.41 1.17 0.04 0.00 -0.02 0.00 0.00 41.25 42.85 3kqz s ASN 217 CO 0.01 -0.23 1.14 -0.54 -2.57 0.00 0.00 177.10 174.91 3kqz s LYS 218 N 2.56 3.38 0.01 -0.60 3.01 -1.26 -4.87 119.74 121.96 3kqz s LYS 218 Ca -0.01 -0.04 0.03 0.00 -1.01 0.00 0.00 55.97 54.94 3kqz s LYS 218 Cb -0.12 -4.07 -0.01 0.00 -1.01 0.00 0.00 37.83 32.61 3kqz s LYS 218 CO -0.12 -1.75 -0.08 -0.51 0.51 0.00 0.00 175.35 173.40 3kqz s LEU 219 N 4.86 2.08 -0.15 3.17 1.43 -1.26 -5.04 118.68 123.76 3kqz s LEU 219 Ca 0.37 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3kqz s LEU 219 Cb -0.09 -0.38 -0.24 0.00 0.03 0.00 0.00 46.19 45.51 3kqz s LEU 219 CO 0.21 0.03 0.31 -1.54 0.23 0.00 0.00 176.35 175.59 3kqz n SER 220 N 2.52 2.05 -4.44 2.29 3.41 -1.26 -3.51 113.62 114.68 3kqz n SER 220 Ca -0.15 0.27 -0.33 0.00 -0.26 0.00 0.00 58.87 58.40 3kqz n SER 220 Cb 0.57 -0.89 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 3kqz n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqz s LYS 221 N -2.50 2.74 -0.15 4.33 2.36 -1.26 0.58 119.74 125.84 3kqz s LYS 221 Ca -0.24 -0.70 0.02 0.00 -2.55 0.00 0.00 55.97 52.49 3kqz s LYS 221 Cb 0.06 -2.43 0.01 0.00 -1.05 0.00 0.00 37.83 34.42 3kqz s LYS 221 CO 0.71 0.50 -0.21 -1.17 1.55 0.00 0.00 175.35 176.73 3kqz s LEU 222 N -0.41 2.13 -0.04 5.43 2.96 0.41 -1.06 118.68 128.10 3kqz s LEU 222 Ca 0.05 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3kqz s LEU 222 Cb -0.12 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3kqz s LEU 222 CO 0.02 0.06 -0.12 0.42 -1.32 0.00 0.00 176.35 175.41 3kqz s THR 223 N 0.92 3.26 -0.08 3.68 -4.23 0.81 -0.90 115.64 119.10 3kqz s THR 223 Ca -0.04 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3kqz s THR 223 Cb -0.15 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3kqz s THR 223 CO -0.04 0.55 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.79 3kqz s VAL 224 N -0.80 1.11 -0.22 2.29 1.01 -0.30 0.61 120.40 124.11 3kqz s VAL 224 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3kqz s VAL 224 Cb -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3kqz s VAL 224 CO 0.02 0.36 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 3kqz s VAL 225 N 0.94 4.32 -1.00 2.92 1.01 0.37 -0.93 120.40 128.04 3kqz s VAL 225 Ca -0.09 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3kqz s VAL 225 Cb -0.15 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.41 3kqz s VAL 225 CO 0.00 0.40 1.16 -0.36 0.00 0.00 0.00 175.10 176.30 3kqz s PHE 226 N 1.10 3.35 -0.44 5.22 0.40 0.11 0.03 117.98 127.76 3kqz s PHE 226 Ca 0.04 -1.72 0.02 0.00 -0.60 0.00 0.00 56.93 54.67 3kqz s PHE 226 Cb -0.14 -4.21 0.50 0.00 0.51 0.00 0.00 43.02 39.68 3kqz s PHE 226 CO 0.03 -1.38 1.86 0.39 0.70 0.00 0.00 175.22 176.82 3kqz n GLU 227 N 5.82 2.17 -4.21 0.44 1.02 -0.76 -4.75 120.64 120.38 3kqz n GLU 227 Ca 0.26 -2.61 -0.12 0.00 -0.02 0.00 0.00 57.16 54.67 3kqz n GLU 227 Cb 0.47 -2.02 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 3kqz n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqz s ILE 228 N -3.20 0.45 -0.01 -3.67 -4.36 -1.22 -4.37 121.20 104.82 3kqz s ILE 228 Ca 0.50 -1.95 -0.21 0.00 -0.26 0.00 0.00 60.65 58.73 3kqz s ILE 228 Cb 0.41 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.97 3kqz s ILE 228 CO 0.06 -0.46 0.62 0.20 0.24 0.00 0.00 174.94 175.60 3kqz s ASN 229 N -3.13 6.99 -0.03 4.36 -0.87 -1.26 -5.08 114.94 115.93 3kqz s ASN 229 Ca 0.24 1.19 -0.00 0.00 -1.57 0.00 0.00 52.86 52.72 3kqz s ASN 229 Cb 0.07 -2.38 0.03 0.00 -0.02 0.00 0.00 41.25 38.95 3kqz s ASN 229 CO 0.03 0.07 0.02 0.68 -2.57 0.00 0.00 177.10 175.33 3kqz s VAL 230 N -0.05 0.06 0.30 1.60 -7.23 -1.26 -4.76 120.40 109.05 3kqz s VAL 230 Ca 0.32 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 3kqz s VAL 230 Cb -0.18 -0.20 -0.12 0.00 0.56 0.00 0.00 36.38 36.44 3kqz s VAL 230 CO 0.18 0.13 0.11 -0.67 -0.31 0.00 0.00 175.10 174.54 3kqz n ASP 231 N 4.34 -2.10 -0.14 4.85 4.64 -1.26 -4.78 116.55 122.10 3kqz n ASP 231 Ca -0.24 0.67 -0.04 0.00 -1.38 0.00 0.00 54.79 53.80 3kqz n ASP 231 Cb 0.50 -0.70 0.05 0.00 -1.04 0.00 0.00 41.12 39.93 3kqz n ASP 231 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3kqz h LYS 232 N 0.32 0.27 -1.01 -0.67 1.57 -1.99 0.56 116.57 115.62 3kqz h LYS 232 Ca -0.28 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3kqz h LYS 232 Cb 1.13 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 3kqz h LYS 232 CO 0.38 0.18 0.66 -0.91 -0.57 0.00 0.00 179.45 179.19 3kqz h ASN 233 N 0.27 1.11 1.15 0.86 2.35 -1.91 0.13 115.58 119.54 3kqz h ASN 233 Ca 0.21 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 3kqz h ASN 233 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3kqz h ASN 233 CO -0.25 0.76 -0.56 0.25 -1.65 0.00 0.00 177.43 175.99 3kqz h LEU 234 N 1.29 0.00 -0.14 1.61 5.85 -1.80 0.31 115.31 122.42 3kqz h LEU 234 Ca 0.40 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 3kqz h LEU 234 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3kqz h LEU 234 CO -0.12 0.56 -0.34 0.15 -0.34 0.00 0.00 178.44 178.35 3kqz h PHE 235 N 0.00 0.61 -0.57 1.25 3.57 0.26 0.19 116.94 122.26 3kqz h PHE 235 Ca -0.01 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 3kqz h PHE 235 Cb 1.29 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 3kqz h PHE 235 CO 0.00 0.96 0.28 -0.09 -2.23 0.00 0.00 178.31 177.23 3kqz h ARG 236 N 0.08 0.81 -0.82 1.11 2.43 -0.23 -1.39 114.38 116.37 3kqz h ARG 236 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3kqz h ARG 236 Cb 0.95 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 3kqz h ARG 236 CO 0.07 0.65 0.52 0.35 -1.51 0.00 0.00 179.97 180.05 3kqz h PHE 237 N 0.76 1.06 -0.94 2.20 3.57 -0.37 0.17 116.94 123.40 3kqz h PHE 237 Ca 0.20 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.81 3kqz h PHE 237 Cb 0.10 -0.35 -0.08 0.00 2.79 0.00 0.00 35.95 38.41 3kqz h PHE 237 CO -0.00 0.69 0.57 0.35 -2.23 0.00 0.00 178.31 177.69 3kqz h PHE 238 N 1.12 1.04 -0.06 0.41 3.57 0.10 -0.57 116.94 122.55 3kqz h PHE 238 Ca 0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 3kqz h PHE 238 Cb -0.08 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.33 3kqz h PHE 238 CO -0.01 0.43 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.22 3kqz h LEU 239 N 0.93 0.29 -0.33 0.59 4.07 -0.09 -1.88 115.31 118.90 3kqz h LEU 239 Ca 0.45 -0.62 0.03 0.00 0.08 0.00 0.00 57.88 57.82 3kqz h LEU 239 Cb 0.41 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3kqz h LEU 239 CO -0.25 0.86 0.14 -0.33 -1.08 0.00 0.00 178.44 177.78 3kqz h GLU 240 N -0.27 0.29 -0.60 1.13 5.08 -0.65 -1.73 114.58 117.83 3kqz h GLU 240 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kqz h GLU 240 Cb 0.84 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3kqz h GLU 240 CO 0.04 0.19 0.37 1.15 -1.00 0.00 0.00 179.01 179.77 3kqz h THR 241 N 0.30 1.17 -0.19 1.13 2.02 -1.08 0.25 112.91 116.52 3kqz h THR 241 Ca 0.14 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kqz h THR 241 Cb 0.08 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3kqz h THR 241 CO -0.12 0.18 0.08 0.25 0.37 0.00 0.00 175.52 176.28 3kqz h LEU 242 N 0.81 0.11 0.16 2.58 5.85 -1.03 0.12 115.31 123.92 3kqz h LEU 242 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3kqz h LEU 242 Cb -0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3kqz h LEU 242 CO -0.04 0.09 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.75 3kqz h PHE 243 N 0.18 -0.37 0.07 1.25 0.04 -1.09 0.35 116.94 117.37 3kqz h PHE 243 Ca 0.08 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.86 3kqz h PHE 243 Cb 0.03 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3kqz h PHE 243 CO -0.10 -0.22 -0.10 -0.92 -0.60 0.00 0.00 178.31 176.37 3kqz h TYR 244 N -0.33 -0.25 0.00 -0.55 3.20 -0.71 -0.40 116.97 117.94 3kqz h TYR 244 Ca -0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3kqz h TYR 244 Cb 0.30 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3kqz h TYR 244 CO -0.12 -0.15 -0.22 0.93 -1.64 0.00 0.00 178.16 176.96 3kqz h GLU 245 N -0.20 0.00 -0.12 1.82 4.39 -0.63 -3.08 114.58 116.76 3kqz h GLU 245 Ca 0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 3kqz h GLU 245 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3kqz h GLU 245 CO -0.05 0.22 -0.41 -0.92 -1.16 0.00 0.00 179.01 176.69 3kqz h TYR 246 N 0.00 0.64 -2.80 4.33 3.20 -0.03 -3.44 116.97 118.87 3kqz h TYR 246 Ca -0.00 -0.27 -0.54 0.00 3.14 0.00 0.00 58.73 61.07 3kqz h TYR 246 Cb 0.99 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.17 3kqz h TYR 246 CO 0.00 1.02 0.91 1.41 -1.64 0.00 0.00 178.16 179.86 3kqz s MET 247 N -3.80 4.24 -0.08 1.82 1.75 -0.18 -5.01 119.30 118.03 3kqz s MET 247 Ca -0.13 2.18 0.01 0.00 -1.25 0.00 0.00 55.69 56.50 3kqz s MET 247 Cb 0.05 -3.53 -0.03 0.00 2.84 0.00 0.00 34.83 34.17 3kqz s MET 247 CO 0.81 -0.64 -0.10 0.95 -0.65 0.00 0.00 175.02 175.38 3kqz s THR 248 N 2.33 3.38 -0.49 10.11 -4.23 -1.26 -4.93 115.64 120.54 3kqz s THR 248 Ca 0.69 -0.59 -0.24 0.00 -1.18 0.00 0.00 61.69 60.38 3kqz s THR 248 Cb -0.37 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3kqz s THR 248 CO 0.30 0.57 0.85 -0.62 -0.54 0.00 0.00 174.62 175.18 3kqz s ASP 249 N -0.41 6.38 -0.15 3.99 -1.08 -1.26 -4.90 116.67 119.24 3kqz s ASP 249 Ca 0.05 -0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.01 3kqz s ASP 249 Cb -0.12 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.40 3kqz s ASP 249 CO 0.02 -1.05 1.37 -0.62 0.52 0.00 0.00 175.17 175.41 3kqz n GLU 250 N 7.02 2.75 0.06 4.34 1.02 -1.26 -4.69 120.64 129.88 3kqz n GLU 250 Ca 0.02 -2.70 0.20 0.00 -0.02 0.00 0.00 57.16 54.67 3kqz n GLU 250 Cb 0.48 -1.73 0.74 0.00 -0.02 0.00 0.00 31.44 30.91 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqz h ARG 251 N 1.60 0.00 -0.21 3.49 3.08 -1.98 -2.87 114.38 117.48 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3kqz h ARG 251 CO 0.17 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.26 3kqz n PHE 252 N -3.98 0.28 -2.38 3.04 3.01 -1.26 -4.94 117.46 111.23 3kqz n PHE 252 Ca 0.08 -0.36 -0.30 0.00 1.01 0.00 0.00 57.45 57.88 3kqz n PHE 252 Cb 0.60 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 3kqz n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqz s LYS 253 N -0.94 3.66 -0.41 -1.08 -0.14 -1.09 -5.27 119.74 114.48 3kqz s LYS 253 Ca 0.17 0.55 0.05 0.00 -1.36 0.00 0.00 55.97 55.38 3kqz s LYS 253 Cb 0.09 -2.24 0.61 0.00 -1.68 0.00 0.00 37.83 34.61 3kqz s LYS 253 CO 0.13 -0.31 1.78 -1.13 -0.76 0.00 0.00 175.35 175.06 3kqz n SER 254 N -2.15 3.61 0.00 2.83 3.41 -1.26 -5.10 113.62 114.96 3kqz n SER 254 Ca 0.04 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 3kqz n SER 254 Cb 0.54 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3kqz n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kqz n GLU 262 N -1.13 0.00 -2.93 4.33 1.02 -1.26 -5.18 120.64 115.50 3kqz n GLU 262 Ca 0.52 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 3kqz n GLU 262 Cb 1.43 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.79 3kqz n GLU 262 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3kqz s TYR 263 N 0.00 3.87 0.66 -0.32 2.02 -1.26 -4.49 117.35 117.83 3kqz s TYR 263 Ca 0.00 1.65 -0.17 0.00 -0.37 0.00 0.00 57.07 58.18 3kqz s TYR 263 Cb 0.00 -2.83 -0.08 0.00 -0.40 0.00 0.00 41.96 38.65 3kqz s TYR 263 CO 0.00 0.43 0.34 0.44 -1.57 0.00 0.00 175.55 175.19 3kqz n ILE 264 N 1.97 1.53 0.43 2.71 -5.35 -1.23 -4.90 119.36 114.52 3kqz n ILE 264 Ca -0.04 -0.45 0.05 0.00 -0.27 0.00 0.00 62.75 62.04 3kqz n ILE 264 Cb 0.49 -0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 37.77 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N 0.02 3.18 -4.36 6.28 4.01 0.20 -4.66 118.16 122.82 3kqz n LYS 265 Ca 0.09 -0.01 -0.20 0.00 -0.51 0.00 0.00 58.31 57.69 3kqz n LYS 265 Cb 0.49 -1.02 -0.15 0.00 -0.51 0.00 0.00 35.03 33.84 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3kqz s HIS 266 N -2.07 0.88 -0.22 2.13 3.76 -0.84 -0.95 115.29 117.98 3kqz s HIS 266 Ca 0.03 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 3kqz s HIS 266 Cb 0.08 -0.62 0.05 0.00 1.11 0.00 0.00 32.58 33.20 3kqz s HIS 266 CO 0.43 -0.08 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.00 3kqz s LEU 267 N 0.14 2.35 -0.15 0.89 2.96 0.17 -0.44 118.68 124.61 3kqz s LEU 267 Ca -0.02 -1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 52.79 3kqz s LEU 267 Cb -0.08 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3kqz s LEU 267 CO 0.00 -0.21 0.07 -0.83 -1.32 0.00 0.00 176.35 174.07 3kqz s GLY 268 N 1.43 1.96 -0.11 7.98 0.00 -0.07 -1.28 107.32 117.24 3kqz s GLY 268 Ca -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3kqz s GLY 268 CO -0.07 -0.17 -0.22 0.14 0.00 0.00 0.00 173.10 172.78 3kqz s VAL 269 N -0.23 1.97 -0.23 1.40 1.01 0.20 -1.15 120.40 123.36 3kqz s VAL 269 Ca 0.08 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3kqz s VAL 269 Cb -0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3kqz s VAL 269 CO 0.01 0.54 0.08 -0.31 0.00 0.00 0.00 175.10 175.42 3kqz s TYR 270 N 0.51 3.14 0.06 5.22 1.51 -0.10 0.42 117.35 128.11 3kqz s TYR 270 Ca -0.15 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 3kqz s TYR 270 Cb -0.17 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3kqz s TYR 270 CO 0.05 -0.19 0.00 1.51 -1.11 0.00 0.00 175.55 175.82 3kqz n ILE 271 N 4.51 0.30 0.00 2.71 3.06 -0.16 0.10 119.36 129.88 3kqz n ILE 271 Ca -0.16 0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 3kqz n ILE 271 Cb 0.52 -1.17 0.00 0.00 0.54 0.00 0.00 39.64 39.53 3kqz n ILE 271 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3kqz n ASN 272 N -3.08 0.00 -2.48 9.51 2.85 -1.26 -4.55 115.26 116.25 3kqz n ASN 272 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 3kqz n ASN 272 Cb 0.20 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.22 3kqz n ASN 272 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3kqz n ASN 273 N 0.00 -4.76 -0.37 1.20 3.02 -1.26 -4.84 115.26 108.25 3kqz n ASN 273 Ca 0.00 0.07 0.31 0.00 -0.03 0.00 0.00 54.58 54.93 3kqz n ASN 273 Cb 0.00 -3.99 0.51 0.00 -0.61 0.00 0.00 39.78 35.68 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz n ALA 274 N -2.25 1.05 0.16 5.41 0.00 -1.26 -0.28 120.51 123.34 3kqz n ALA 274 Ca -0.18 0.60 0.03 0.00 0.00 0.00 0.00 53.44 53.89 3kqz n ALA 274 Cb 0.64 -0.77 0.20 0.00 0.00 0.00 0.00 19.45 19.52 3kqz n ALA 274 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kqz h ASP 275 N 0.00 0.00 0.58 0.00 3.04 -1.89 -2.38 116.42 115.77 3kqz h ASP 275 Ca 0.64 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.43 3kqz h ASP 275 Cb 2.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.45 3kqz h ASP 275 CO -0.28 0.48 0.00 0.74 -2.04 0.00 0.00 179.24 178.14 3kqz h THR 276 N 0.00 0.00 0.00 1.15 2.02 -1.01 -3.16 112.91 111.92 3kqz h THR 276 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3kqz h THR 276 Cb 1.12 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3kqz h THR 276 CO 0.06 0.00 -1.60 -1.22 0.37 0.00 0.00 175.52 173.13 3kqz n TYR 277 N -3.02 0.00 -0.21 3.16 4.01 -0.92 -4.60 117.16 115.58 3kqz n TYR 277 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 3kqz n TYR 277 Cb 0.20 -0.32 0.45 0.00 -0.31 0.00 0.00 39.34 39.36 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqz h LYS 278 N 0.00 0.51 0.00 -0.72 6.56 -1.46 -1.47 116.57 120.00 3kqz h LYS 278 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3kqz h LYS 278 Cb 0.71 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 3kqz h LYS 278 CO 0.00 0.34 0.00 -0.85 -2.06 0.00 0.00 179.45 176.88 3kqz n GLU 279 N -4.51 0.18 0.08 3.15 -0.00 -1.26 -2.77 120.64 115.51 3kqz n GLU 279 Ca 0.16 0.05 0.13 0.00 -0.00 0.00 0.00 57.16 57.50 3kqz n GLU 279 Cb 0.51 -1.50 0.33 0.00 -0.00 0.00 0.00 31.44 30.78 3kqz n GLU 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kqz n GLU 280 N -1.39 0.25 -0.02 3.44 -0.58 -0.55 -4.04 120.64 117.74 3kqz n GLU 280 Ca 0.09 0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.85 3kqz n GLU 280 Cb 0.25 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 3kqz n GLU 280 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kqz h VAL 281 N 0.00 1.40 -0.10 2.62 2.07 -1.65 -0.62 116.25 119.98 3kqz h VAL 281 Ca 0.00 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.13 3kqz h VAL 281 Cb 0.72 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3kqz h VAL 281 CO 0.00 0.33 -0.60 -0.33 0.02 0.00 0.00 177.57 176.99 3kqz h GLU 282 N -0.43 0.33 -0.56 1.57 4.39 -1.78 -1.20 114.58 116.90 3kqz h GLU 282 Ca 0.00 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3kqz h GLU 282 Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3kqz h GLU 282 CO 0.01 0.83 0.20 -0.22 -1.16 0.00 0.00 179.01 178.67 3kqz h LYS 283 N 0.24 0.85 -0.86 2.33 3.64 -1.69 -0.45 116.57 120.62 3kqz h LYS 283 Ca -0.01 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3kqz h LYS 283 Cb 1.12 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 3kqz h LYS 283 CO 0.10 0.75 0.56 0.00 -2.27 0.00 0.00 179.45 178.59 3kqz h ALA 284 N 1.06 1.12 -0.39 5.00 0.00 -0.75 0.21 119.26 125.50 3kqz h ALA 284 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 284 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kqz h ALA 284 CO -0.01 0.44 0.21 -0.09 0.00 0.00 0.00 179.25 179.80 3kqz h ARG 285 N 1.12 0.55 -0.09 0.00 9.65 -0.78 0.17 114.38 124.99 3kqz h ARG 285 Ca 0.33 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.15 3kqz h ARG 285 Cb -0.06 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 3kqz h ARG 285 CO -0.09 0.45 0.04 0.28 2.80 0.00 0.00 179.97 183.45 3kqz h VAL 286 N 0.50 1.00 -0.17 0.20 2.07 -0.31 -1.32 116.25 118.22 3kqz h VAL 286 Ca 0.14 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 3kqz h VAL 286 Cb 0.06 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kqz h VAL 286 CO -0.02 0.02 -0.36 1.88 0.02 0.00 0.00 177.57 179.11 3kqz h TYR 287 N 0.10 0.41 -0.92 1.57 -1.99 -0.39 0.98 116.97 116.73 3kqz h TYR 287 Ca 0.04 -0.10 0.01 0.00 2.00 0.00 0.00 58.73 60.68 3kqz h TYR 287 Cb 0.01 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 38.60 3kqz h TYR 287 CO -0.09 0.67 0.61 -0.92 -0.00 0.00 0.00 178.16 178.43 3kqz h TYR 288 N 0.30 1.15 0.02 4.88 3.20 -0.59 -1.91 116.97 124.03 3kqz h TYR 288 Ca 0.03 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.66 3kqz h TYR 288 Cb 0.78 -0.39 0.02 0.00 1.54 0.00 0.00 36.73 38.68 3kqz h TYR 288 CO 0.02 0.72 -1.07 0.35 -1.64 0.00 0.00 178.16 176.53 3kqz h PHE 289 N 1.23 1.01 -0.57 -3.82 3.57 0.33 -0.97 116.94 117.72 3kqz h PHE 289 Ca 0.34 -0.57 0.09 0.00 3.53 0.00 0.00 57.97 61.36 3kqz h PHE 289 Cb -0.12 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 38.40 3kqz h PHE 289 CO -0.01 1.40 -0.44 0.78 -2.23 0.00 0.00 178.31 177.82 3kqz h GLY 290 N 0.45 -0.48 0.92 2.40 0.00 -1.04 0.48 103.07 105.81 3kqz h GLY 290 Ca -0.14 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 3kqz h GLY 290 CO 0.21 -0.16 0.06 -0.84 0.00 0.00 0.00 176.54 175.81 3kqz h THR 291 N -0.23 1.10 -0.09 4.70 2.02 -1.30 -1.21 112.91 117.90 3kqz h THR 291 Ca 0.18 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3kqz h THR 291 Cb 0.56 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3kqz h THR 291 CO -0.68 0.09 -0.37 0.22 0.37 0.00 0.00 175.52 175.14 3kqz h TYR 292 N 0.07 0.22 -0.35 3.16 3.20 -0.84 -0.71 116.97 121.71 3kqz h TYR 292 Ca 0.04 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kqz h TYR 292 Cb 0.09 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3kqz h TYR 292 CO -0.04 0.54 -0.04 -0.92 -1.64 0.00 0.00 178.16 176.07 3kqz h TYR 293 N 0.16 0.72 -0.32 -3.82 3.20 0.42 0.30 116.97 117.64 3kqz h TYR 293 Ca 0.02 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 3kqz h TYR 293 Cb 0.74 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3kqz h TYR 293 CO 0.01 0.78 0.05 0.00 -1.64 0.00 0.00 178.16 177.36 3kqz h ALA 294 N 0.84 0.42 -0.43 1.82 0.00 -0.71 -1.69 119.26 119.51 3kqz h ALA 294 Ca 0.10 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3kqz h ALA 294 Cb 0.52 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3kqz h ALA 294 CO 0.03 0.12 -0.15 1.03 0.00 0.00 0.00 179.25 180.27 3kqz h SER 295 N 0.35 -0.52 -0.83 0.00 0.87 -1.01 0.13 113.55 112.53 3kqz h SER 295 Ca 0.10 0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.94 3kqz h SER 295 Cb 0.35 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 3kqz h SER 295 CO 0.01 -0.18 0.54 1.56 -0.53 0.00 0.00 176.83 178.22 3kqz h GLN 296 N -0.05 0.57 -0.19 2.24 4.20 0.49 0.76 115.11 123.14 3kqz h GLN 296 Ca 0.21 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.67 3kqz h GLN 296 Cb 0.37 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.03 3kqz h GLN 296 CO -0.47 0.38 -0.72 -0.07 -0.67 0.00 0.00 178.83 177.28 3kqz h LEU 297 N 0.59 0.95 -0.18 1.46 3.38 -0.21 -2.16 115.31 119.15 3kqz h LEU 297 Ca 0.41 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3kqz h LEU 297 Cb 0.74 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kqz h LEU 297 CO -0.17 1.40 -0.06 0.40 0.09 0.00 0.00 178.44 180.11 3kqz h ILE 298 N 0.56 1.30 0.00 1.22 2.04 -0.29 -2.59 117.51 119.75 3kqz h ILE 298 Ca -0.04 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 3kqz h ILE 298 Cb 1.34 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3kqz h ILE 298 CO 0.15 0.32 -0.23 0.00 0.00 0.00 0.00 178.15 178.39 3kqz h ALA 299 N 0.71 1.09 -2.40 1.87 0.00 -0.95 -3.40 119.26 116.17 3kqz h ALA 299 Ca 0.04 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 3kqz h ALA 299 Cb 0.51 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kqz h ALA 299 CO 0.02 0.29 1.11 0.00 0.00 0.00 0.00 179.25 180.67 3kqz s ALA 300 N -3.79 3.66 1.02 0.00 0.00 -0.81 -4.94 121.76 116.90 3kqz s ALA 300 Ca -0.00 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 3kqz s ALA 300 Cb 0.11 -3.77 0.20 0.00 0.00 0.00 0.00 23.12 19.66 3kqz s ALA 300 CO 0.63 -1.33 1.11 -1.25 0.00 0.00 0.00 175.76 174.92 3kqz s PRO 301 N 3.50 0.23 0.26 0.00 0.04 -1.26 -4.55 135.00 133.21 3kqz s PRO 301 Ca 0.80 0.33 0.26 0.00 0.04 0.00 0.00 61.00 62.42 3kqz s PRO 301 Cb -0.41 -1.73 0.83 0.00 0.04 0.00 0.00 34.50 33.23 3kqz s PRO 301 CO 0.36 -2.82 1.75 0.77 0.04 0.00 0.00 177.00 177.10 3kqz h SER 302 N -1.95 0.00 0.50 6.66 0.02 -1.81 -0.75 113.55 116.21 3kqz h SER 302 Ca -0.52 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.31 3kqz h SER 302 Cb 1.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 3kqz h SER 302 CO 0.54 0.00 -0.53 -0.55 -1.14 0.00 0.00 176.83 175.15 3kqz h ASN 303 N 0.00 0.04 0.00 3.07 -1.07 -1.93 -3.34 115.58 112.34 3kqz h ASN 303 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.32 3kqz h ASN 303 Cb 0.67 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.90 3kqz h ASN 303 CO 0.00 0.56 -0.18 1.88 0.07 0.00 0.00 177.43 179.76 3kqz h TYR 304 N 0.03 0.00 -3.39 4.14 0.05 -1.50 -3.41 116.97 112.89 3kqz h TYR 304 Ca -0.00 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.02 3kqz h TYR 304 Cb 0.94 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.45 3kqz h TYR 304 CO 0.00 0.69 0.13 0.00 -1.05 0.00 0.00 178.16 177.93 3kqz s ASN 306 N 2.81 4.26 0.56 0.00 2.20 -1.25 -4.40 114.94 119.12 3kqz s ASN 306 Ca 0.16 -1.38 0.26 0.00 -0.94 0.00 0.00 52.86 50.96 3kqz s ASN 306 Cb -0.15 0.10 1.50 0.00 -2.00 0.00 0.00 41.25 40.70 3kqz s ASN 306 CO -0.05 -0.76 2.04 -0.65 -2.94 0.00 0.00 177.10 174.74 3kqz h PRO 307 N 1.32 0.00 0.02 3.55 0.11 -1.86 0.81 132.00 135.94 3kqz h PRO 307 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3kqz h PRO 307 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kqz h PRO 307 CO 0.71 0.00 -0.10 0.28 -0.21 0.00 0.00 178.00 178.68 3kqz h VAL 308 N 0.00 1.76 0.00 3.15 2.07 -1.94 -2.75 116.25 118.53 3kqz h VAL 308 Ca 0.16 -2.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.20 3kqz h VAL 308 Cb 0.74 3.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 3kqz h VAL 308 CO -0.00 0.62 -0.50 0.77 0.02 0.00 0.00 177.57 178.48 3kqz h SER 309 N -0.93 0.00 -0.07 0.57 4.64 -1.72 0.16 113.55 116.20 3kqz h SER 309 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3kqz h SER 309 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kqz h SER 309 CO 0.02 0.50 -0.14 0.25 -0.87 0.00 0.00 176.83 176.58 3kqz h LEU 310 N 0.00 0.25 -1.03 5.97 6.46 -0.97 -1.87 115.31 124.12 3kqz h LEU 310 Ca -0.00 -0.57 -0.10 0.00 -0.12 0.00 0.00 57.88 57.09 3kqz h LEU 310 Cb 0.93 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 3kqz h LEU 310 CO 0.06 0.77 -0.43 0.77 -0.62 0.00 0.00 178.44 178.99 3kqz h SER 311 N -0.27 0.11 -0.95 1.25 4.64 -1.15 -1.17 113.55 116.01 3kqz h SER 311 Ca 0.00 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3kqz h SER 311 Cb 0.73 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.74 3kqz h SER 311 CO 0.03 0.53 0.62 0.78 -0.87 0.00 0.00 176.83 177.93 3kqz h ASN 312 N 0.09 1.05 -0.22 4.97 2.35 -0.68 -1.54 115.58 121.60 3kqz h ASN 312 Ca 0.01 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3kqz h ASN 312 Cb 0.81 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3kqz h ASN 312 CO 0.06 0.73 -0.19 0.00 -1.65 0.00 0.00 177.43 176.38 3kqz h ALA 313 N 1.38 1.01 0.06 -0.83 0.00 -0.42 -0.20 119.26 120.25 3kqz h ALA 313 Ca 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 313 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kqz h ALA 313 CO -0.11 0.59 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 3kqz h ALA 314 N 1.21 -0.08 -0.17 0.00 0.00 -1.05 0.23 119.26 119.41 3kqz h ALA 314 Ca 0.09 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kqz h ALA 314 Cb 0.65 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3kqz h ALA 314 CO 0.05 -0.41 -0.28 0.28 0.00 0.00 0.00 179.25 178.89 3kqz h VAL 315 N -0.35 0.34 -0.55 0.00 2.07 -1.20 0.28 116.25 116.84 3kqz h VAL 315 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3kqz h VAL 315 Cb 0.31 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 3kqz h VAL 315 CO 0.01 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.67 3kqz h GLU 316 N -0.33 0.29 -0.82 1.57 4.81 -0.95 0.13 114.58 119.28 3kqz h GLU 316 Ca 0.11 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3kqz h GLU 316 Cb 0.50 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3kqz h GLU 316 CO -0.36 0.19 0.54 1.25 -0.73 0.00 0.00 179.01 179.90 3kqz h LEU 317 N 0.30 0.92 -0.45 1.64 5.85 0.81 -1.82 115.31 122.57 3kqz h LEU 317 Ca 0.28 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3kqz h LEU 317 Cb 0.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kqz h LEU 317 CO -0.32 0.66 0.22 0.00 -0.34 0.00 0.00 178.44 178.66 3kqz h ALA 318 N 1.31 0.57 -0.31 1.25 0.00 0.56 -2.63 119.26 120.01 3kqz h ALA 318 Ca 0.31 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kqz h ALA 318 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kqz h ALA 318 CO -0.08 0.13 -0.12 1.96 0.00 0.00 0.00 179.25 181.15 3kqz h GLN 319 N 0.58 0.53 0.00 0.00 4.20 -0.41 0.90 115.11 120.91 3kqz h GLN 319 Ca 0.15 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kqz h GLN 319 Cb 0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3kqz h GLN 319 CO -0.02 0.65 0.00 0.87 -0.67 0.00 0.00 178.83 179.66 3kqz h LYS 320 N 0.49 0.00 -0.10 1.46 1.57 -1.14 -3.10 116.57 115.75 3kqz h LYS 320 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kqz h LYS 320 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kqz h LYS 320 CO 0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 3kqz n LEU 321 N -2.85 2.05 -4.02 2.94 4.77 -0.82 -5.00 117.00 114.06 3kqz n LEU 321 Ca 0.03 -1.35 -0.32 0.00 -0.03 0.00 0.00 56.01 54.34 3kqz n LEU 321 Cb 0.42 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3kqz n LEU 321 CO 0.30 0.45 0.07 0.59 -1.33 0.00 0.00 177.39 177.47 3kqz n ASN 322 N 0.40 -4.36 -4.86 -1.43 4.13 0.12 -4.91 115.26 104.35 3kqz n ASN 322 Ca 0.06 -0.86 -0.32 0.00 1.68 0.00 0.00 54.58 55.15 3kqz n ASN 322 Cb 0.27 -3.50 -0.05 0.00 -1.54 0.00 0.00 39.78 34.96 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kqz s LEU 323 N -7.28 3.96 0.55 3.41 1.43 -0.10 -5.02 118.68 115.63 3kqz s LEU 323 Ca 0.70 1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 54.87 3kqz s LEU 323 Cb -0.36 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 3kqz s LEU 323 CO 0.86 -0.30 1.17 -0.70 0.23 0.00 0.00 176.35 177.62 3kqz s GLU 324 N -3.33 3.25 -0.11 1.70 2.12 -0.61 -4.52 118.70 117.19 3kqz s GLU 324 Ca 0.54 1.73 -0.18 0.00 0.36 0.00 0.00 54.97 57.42 3kqz s GLU 324 Cb -0.10 -2.03 0.04 0.00 0.26 0.00 0.00 34.13 32.30 3kqz s GLU 324 CO 0.22 -0.96 0.45 1.52 -0.54 0.00 0.00 175.26 175.95 3kqz s TYR 325 N -1.66 -0.44 -0.15 5.30 -0.85 -1.26 -0.76 117.35 117.53 3kqz s TYR 325 Ca 0.74 0.97 -0.08 0.00 -0.52 0.00 0.00 57.07 58.17 3kqz s TYR 325 Cb -0.27 0.18 0.05 0.00 0.38 0.00 0.00 41.96 42.31 3kqz s TYR 325 CO 0.31 -0.33 0.37 0.21 -1.52 0.00 0.00 175.55 174.58 3kqz s LYS 326 N -0.37 0.35 -0.24 -3.49 2.20 0.72 -5.00 119.74 113.92 3kqz s LYS 326 Ca -0.05 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.24 3kqz s LYS 326 Cb -0.03 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.26 3kqz s LYS 326 CO 0.03 -0.15 -0.05 0.42 -0.36 0.00 0.00 175.35 175.24 3kqz s ILE 327 N 1.31 3.14 -0.12 5.43 -1.09 -1.26 -1.36 121.20 127.25 3kqz s ILE 327 Ca -0.09 -0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 57.37 3kqz s ILE 327 Cb -0.09 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3kqz s ILE 327 CO -0.11 0.31 0.60 -0.76 -1.23 0.00 0.00 174.94 173.74 3kqz s LEU 328 N 1.41 4.26 0.00 2.97 1.02 -0.09 -4.86 118.68 123.39 3kqz s LEU 328 Ca 0.03 0.96 0.04 0.00 0.02 0.00 0.00 54.13 55.18 3kqz s LEU 328 Cb -0.15 -2.88 0.04 0.00 0.02 0.00 0.00 46.19 43.21 3kqz s LEU 328 CO -0.04 -0.10 0.31 0.61 0.02 0.00 0.00 176.35 177.14 3kqz n GLY 329 N 3.32 2.55 0.31 -3.19 0.00 -1.26 -0.16 105.19 106.76 3kqz n GLY 329 Ca -0.04 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3kqz n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 330 N 0.40 1.04 -0.44 1.61 2.07 -1.97 0.12 116.25 119.08 3kqz h VAL 330 Ca -0.18 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.08 3kqz h VAL 330 Cb 0.70 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3kqz h VAL 330 CO 0.27 0.17 0.14 0.11 0.02 0.00 0.00 177.57 178.28 3kqz h LYS 331 N 0.94 0.29 -0.21 1.57 6.56 -1.96 0.46 116.57 124.23 3kqz h LYS 331 Ca 0.36 -0.02 -0.19 0.00 -1.06 0.00 0.00 60.65 59.74 3kqz h LYS 331 Cb 0.15 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3kqz h LYS 331 CO -0.17 0.19 -0.60 0.93 -2.06 0.00 0.00 179.45 177.74 3kqz h GLU 332 N 0.30 0.79 -0.50 3.15 5.08 -1.60 -1.13 114.58 120.67 3kqz h GLU 332 Ca 0.21 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3kqz h GLU 332 Cb 0.22 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3kqz h GLU 332 CO -0.23 1.18 0.21 -0.07 -1.00 0.00 0.00 179.01 179.10 3kqz h LEU 333 N 0.53 0.69 -0.45 1.33 3.38 -0.35 0.20 115.31 120.64 3kqz h LEU 333 Ca -0.02 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kqz h LEU 333 Cb 1.22 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 3kqz h LEU 333 CO 0.13 0.66 -0.12 -0.33 0.09 0.00 0.00 178.44 178.88 3kqz h GLU 334 N 0.67 -0.00 0.00 1.13 5.08 0.05 -2.14 114.58 119.37 3kqz h GLU 334 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3kqz h GLU 334 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kqz h GLU 334 CO -0.02 -0.00 -0.12 0.93 -1.00 0.00 0.00 179.01 178.80 3kqz h GLU 335 N -0.00 0.00 -0.08 2.33 5.08 -0.60 0.64 114.58 121.95 3kqz h GLU 335 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kqz h GLU 335 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kqz h GLU 335 CO -0.46 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 178.95 3kqz n LEU 336 N -3.31 1.12 -3.91 1.33 4.77 0.00 -4.92 117.00 112.08 3kqz n LEU 336 Ca -0.00 -0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 55.25 3kqz n LEU 336 Cb 0.34 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3kqz n LEU 336 CO 0.30 0.22 0.08 0.29 -1.33 0.00 0.00 177.39 176.95 3kqz n LYS 337 N -0.08 -5.31 -1.83 3.23 5.02 0.22 -4.68 118.16 114.73 3kqz n LYS 337 Ca 0.17 0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 3kqz n LYS 337 Cb 0.26 -5.42 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -4.63 3.96 -0.23 1.97 2.81 -0.91 -2.27 117.12 117.84 3kqz n MET 338 Ca 0.00 -3.02 0.03 0.00 -1.81 0.00 0.00 57.70 52.91 3kqz n MET 338 Cb 0.54 -2.81 0.28 0.00 -0.71 0.00 0.00 33.22 30.52 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 6.91 1.09 0.70 3.03 0.00 -1.64 -0.51 103.07 112.66 3kqz h GLY 339 Ca 0.68 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3kqz h GLY 339 CO 1.64 0.31 -0.46 0.00 0.00 0.00 0.00 176.54 178.03 3kqz h ALA 340 N 1.55 -1.11 -0.30 3.60 0.00 -1.83 -1.25 119.26 119.92 3kqz h ALA 340 Ca 0.32 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kqz h ALA 340 Cb 0.09 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3kqz h ALA 340 CO -0.10 -1.15 0.09 -0.92 0.00 0.00 0.00 179.25 177.17 3kqz h TYR 341 N -1.04 0.15 0.00 0.00 3.20 -1.59 -2.39 116.97 115.30 3kqz h TYR 341 Ca -0.08 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 3kqz h TYR 341 Cb 0.87 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3kqz h TYR 341 CO -0.16 0.06 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.07 3kqz h LEU 342 N 0.21 0.00 -0.51 2.82 3.38 -1.10 -2.78 115.31 117.33 3kqz h LEU 342 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kqz h LEU 342 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kqz h LEU 342 CO -0.16 0.28 0.15 0.28 0.09 0.00 0.00 178.44 179.08 3kqz h SER 343 N 0.00 0.75 -0.81 -0.43 0.02 -0.72 -0.61 113.55 111.75 3kqz h SER 343 Ca -0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3kqz h SER 343 Cb 0.53 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3kqz h SER 343 CO 0.04 0.77 0.34 0.58 -1.14 0.00 0.00 176.83 177.41 3kqz h VAL 344 N 0.70 1.26 0.00 2.27 2.07 -1.20 -3.02 116.25 118.34 3kqz h VAL 344 Ca 0.16 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3kqz h VAL 344 Cb 0.29 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kqz h VAL 344 CO -0.00 0.33 -0.44 1.23 0.02 0.00 0.00 177.57 178.71 3kqz h GLY 345 N 1.18 0.00 -0.53 2.17 0.00 -1.36 -3.38 103.07 101.15 3kqz h GLY 345 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.71 3kqz h GLY 345 CO -0.03 0.00 -0.12 0.28 0.00 0.00 0.00 176.54 176.68 3kqz n LYS 346 N -2.86 -0.05 0.00 4.80 5.02 -0.27 -0.03 118.16 124.77 3kqz n LYS 346 Ca 0.02 0.82 0.13 0.00 -2.02 0.00 0.00 58.31 57.26 3kqz n LYS 346 Cb 0.53 -1.23 0.71 0.00 -0.02 0.00 0.00 35.03 35.02 3kqz n LYS 346 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 347 N -1.33 -1.05 3.90 0.72 0.00 -1.25 -4.66 105.19 101.51 3kqz n GLY 347 Ca 0.09 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -2.38 6.46 0.02 1.61 0.15 0.95 -4.59 113.70 115.93 3kqz s SER 348 Ca 0.30 0.86 0.27 0.00 0.70 0.00 0.00 55.95 58.08 3kqz s SER 348 Cb 0.18 -2.21 0.88 0.00 -1.71 0.00 0.00 66.02 63.16 3kqz s SER 348 CO 0.37 -0.28 1.69 1.15 1.20 0.00 0.00 173.24 177.37 3kqz n MET 349 N -1.10 0.04 -3.65 5.44 0.00 -1.26 -4.75 117.12 111.83 3kqz n MET 349 Ca -0.00 0.02 -0.36 0.00 0.00 0.00 0.00 57.70 57.36 3kqz n MET 349 Cb 0.54 -1.54 -0.09 0.00 0.00 0.00 0.00 33.22 32.14 3kqz n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqz s TYR 350 N -3.02 3.36 0.38 3.17 1.51 -1.26 -4.88 117.35 116.60 3kqz s TYR 350 Ca 0.12 0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 56.21 3kqz s TYR 350 Cb 0.18 -2.26 -0.11 0.00 -0.11 0.00 0.00 41.96 39.66 3kqz s TYR 350 CO 0.61 0.14 1.46 -2.30 -1.11 0.00 0.00 175.55 174.35 3kqz n PRO 351 N 4.02 2.60 -1.80 -1.71 -0.02 -1.26 -4.79 135.00 132.05 3kqz n PRO 351 Ca -0.15 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 3kqz n PRO 351 Cb 0.52 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3kqz n PRO 351 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kqz s ASN 352 N -0.16 6.36 -0.05 2.55 -0.87 -1.26 -4.54 114.94 116.97 3kqz s ASN 352 Ca 0.54 3.01 0.02 0.00 -1.57 0.00 0.00 52.86 54.86 3kqz s ASN 352 Cb -0.49 -2.66 0.01 0.00 -0.02 0.00 0.00 41.25 38.10 3kqz s ASN 352 CO 0.64 -0.89 -0.09 -0.54 -2.57 0.00 0.00 177.10 173.65 3kqz s LYS 353 N -1.53 1.31 -0.28 -0.60 -0.14 -0.89 -4.01 119.74 113.60 3kqz s LYS 353 Ca 0.56 -0.30 -0.06 0.00 -1.36 0.00 0.00 55.97 54.82 3kqz s LYS 353 Cb -0.47 -1.15 0.01 0.00 -1.68 0.00 0.00 37.83 34.54 3kqz s LYS 353 CO 0.58 0.00 0.05 0.12 -0.76 0.00 0.00 175.35 175.34 3kqz s PHE 354 N 0.68 3.12 -0.11 3.18 2.19 0.77 -1.64 117.98 126.18 3kqz s PHE 354 Ca -0.12 -1.05 -0.25 0.00 0.33 0.00 0.00 56.93 55.83 3kqz s PHE 354 Cb -0.15 -2.21 -0.02 0.00 -1.31 0.00 0.00 43.02 39.33 3kqz s PHE 354 CO 0.02 -0.59 0.80 0.42 1.83 0.00 0.00 175.22 177.70 3kqz s ILE 355 N 1.47 4.94 -0.25 3.12 1.01 0.55 -0.91 121.20 131.13 3kqz s ILE 355 Ca 0.02 1.62 -0.03 0.00 0.00 0.00 0.00 60.65 62.26 3kqz s ILE 355 Cb -0.17 -4.13 0.08 0.00 0.01 0.00 0.00 42.46 38.26 3kqz s ILE 355 CO 0.01 0.12 0.09 -2.28 0.00 0.00 0.00 174.94 172.88 3kqz s HIS 356 N 1.52 0.92 -0.07 3.97 2.46 -0.47 -1.17 115.29 122.45 3kqz s HIS 356 Ca 0.40 -1.04 0.02 0.00 0.47 0.00 0.00 55.06 54.91 3kqz s HIS 356 Cb -0.18 -1.14 -0.02 0.00 -0.13 0.00 0.00 32.58 31.11 3kqz s HIS 356 CO 0.16 -0.74 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.06 3kqz s LEU 357 N 1.89 2.77 -0.01 8.88 1.02 -0.49 -0.20 118.68 132.54 3kqz s LEU 357 Ca 0.05 -0.22 0.06 0.00 0.02 0.00 0.00 54.13 54.04 3kqz s LEU 357 Cb -0.17 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.45 3kqz s LEU 357 CO -0.21 0.30 -0.18 0.28 0.02 0.00 0.00 176.35 176.56 3kqz s THR 358 N -0.44 1.43 0.01 5.49 -1.32 0.06 0.29 115.64 121.16 3kqz s THR 358 Ca 0.05 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 3kqz s THR 358 Cb -0.12 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 3kqz s THR 358 CO 0.02 0.38 -0.02 -0.47 -2.21 0.00 0.00 174.62 172.33 3kqz s TYR 359 N -0.45 3.02 -0.11 9.09 5.04 -0.14 -1.58 117.35 132.23 3kqz s TYR 359 Ca 0.07 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.70 3kqz s TYR 359 Cb -0.07 -1.64 0.06 0.00 0.35 0.00 0.00 41.96 40.65 3kqz s TYR 359 CO -0.01 0.44 0.17 0.15 -1.34 0.00 0.00 175.55 174.97 3kqz s LYS 360 N -1.60 0.06 0.36 4.97 1.02 -1.26 -0.32 119.74 122.97 3kqz s LYS 360 Ca 0.20 0.49 -0.27 0.00 0.02 0.00 0.00 55.97 56.40 3kqz s LYS 360 Cb -0.11 -0.48 -0.12 0.00 -0.52 0.00 0.00 37.83 36.59 3kqz s LYS 360 CO 0.10 -0.38 1.11 -1.13 -0.92 0.00 0.00 175.35 174.14 3kqz n SER 361 N 5.32 1.83 -4.63 2.83 3.41 -0.27 -4.90 113.62 117.21 3kqz n SER 361 Ca -0.05 1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 59.29 3kqz n SER 361 Cb 0.50 -1.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.00 3kqz n SER 361 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kqz s LYS 362 N -1.85 4.12 0.00 4.33 -0.14 -1.26 -4.35 119.74 120.59 3kqz s LYS 362 Ca 0.59 0.53 0.00 0.00 -1.36 0.00 0.00 55.97 55.73 3kqz s LYS 362 Cb -0.60 -3.64 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 3kqz s LYS 362 CO 0.60 -0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.21 3kqz n GLY 363 N 4.14 0.75 3.70 -3.33 0.00 -1.26 -5.03 105.19 104.16 3kqz n GLY 363 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3kqz n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqz s ASP 364 N -2.47 3.97 0.40 1.61 1.47 -1.26 -5.13 116.67 115.26 3kqz s ASP 364 Ca 0.00 -1.55 -0.24 0.00 1.18 0.00 0.00 52.55 51.94 3kqz s ASP 364 Cb 0.00 0.18 -0.09 0.00 -0.34 0.00 0.00 42.92 42.67 3kqz s ASP 364 CO 0.00 -0.71 1.07 -0.69 0.68 0.00 0.00 175.17 175.53 3kqz s VAL 365 N -2.84 3.61 -0.07 2.11 1.01 -1.26 -4.91 120.40 118.05 3kqz s VAL 365 Ca 0.17 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 3kqz s VAL 365 Cb 0.05 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3kqz s VAL 365 CO 0.09 0.02 0.03 -0.54 0.00 0.00 0.00 175.10 174.70 3kqz s LYS 366 N -2.47 0.33 0.12 2.72 1.02 -1.26 -4.21 119.74 115.99 3kqz s LYS 366 Ca 0.58 0.17 -0.31 0.00 0.02 0.00 0.00 55.97 56.43 3kqz s LYS 366 Cb -0.24 -0.90 -0.09 0.00 -0.52 0.00 0.00 37.83 36.09 3kqz s LYS 366 CO 0.29 -0.35 1.52 -1.59 -0.92 0.00 0.00 175.35 174.31 3kqz s LYS 367 N 2.05 4.25 -0.28 1.68 0.00 -0.83 -4.81 119.74 121.80 3kqz s LYS 367 Ca 0.05 2.25 -0.13 0.00 0.00 0.00 0.00 55.97 58.13 3kqz s LYS 367 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 37.83 34.38 3kqz s LYS 367 CO -0.05 -0.58 0.28 0.15 0.00 0.00 0.00 175.35 175.15 3kqz s LYS 368 N 1.47 3.94 -0.05 1.78 1.02 -1.26 -0.30 119.74 126.34 3kqz s LYS 368 Ca 0.69 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.52 3kqz s LYS 368 Cb -0.40 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 3kqz s LYS 368 CO 0.31 -0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 174.76 3kqz s ILE 369 N 1.90 1.27 -0.20 2.17 1.01 0.62 -0.20 121.20 127.77 3kqz s ILE 369 Ca 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3kqz s ILE 369 Cb -0.16 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3kqz s ILE 369 CO 0.11 0.38 -0.08 0.00 0.00 0.00 0.00 174.94 175.35 3kqz s ALA 370 N 0.22 2.73 -0.26 9.38 0.00 -0.39 0.36 121.76 133.80 3kqz s ALA 370 Ca -0.07 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 3kqz s ALA 370 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3kqz s ALA 370 CO 0.02 -0.32 0.08 -0.51 0.00 0.00 0.00 175.76 175.03 3kqz s LEU 371 N 1.29 3.52 -0.14 0.00 1.43 0.12 -0.40 118.68 124.50 3kqz s LEU 371 Ca 0.03 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3kqz s LEU 371 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3kqz s LEU 371 CO -0.03 -0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.64 3kqz s VAL 372 N 1.61 2.64 -0.03 -1.59 1.01 0.27 0.75 120.40 125.05 3kqz s VAL 372 Ca 0.06 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3kqz s VAL 372 Cb -0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3kqz s VAL 372 CO 0.04 0.53 -0.24 -0.83 0.00 0.00 0.00 175.10 174.60 3kqz s GLY 373 N 0.59 1.21 0.08 4.51 0.00 0.12 0.09 107.32 113.92 3kqz s GLY 373 Ca -0.10 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 3kqz s GLY 373 CO 0.03 -0.75 1.45 1.25 0.00 0.00 0.00 173.10 175.08 3kqz s LYS 374 N -0.38 4.28 -0.61 2.90 2.20 -0.34 -4.12 119.74 123.68 3kqz s LYS 374 Ca 0.04 2.11 0.06 0.00 -0.36 0.00 0.00 55.97 57.82 3kqz s LYS 374 Cb -0.11 -3.37 0.28 0.00 -1.51 0.00 0.00 37.83 33.11 3kqz s LYS 374 CO 0.01 -0.53 0.79 0.41 -0.36 0.00 0.00 175.35 175.67 3kqz n GLY 375 N 3.63 4.92 3.48 5.54 0.00 -1.25 -1.46 105.19 120.05 3kqz n GLY 375 Ca 0.13 -2.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.03 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -2.96 5.20 -0.18 -0.61 -1.09 -0.99 -1.53 121.20 119.05 3kqz s ILE 376 Ca 0.42 -0.51 0.19 0.00 -2.23 0.00 0.00 60.65 58.52 3kqz s ILE 376 Cb 0.19 -3.81 0.17 0.00 -1.58 0.00 0.00 42.46 37.43 3kqz s ILE 376 CO -0.05 -0.19 1.56 0.71 -1.23 0.00 0.00 174.94 175.74 3kqz h THR 377 N 5.60 0.58 -2.42 2.92 1.35 -1.32 -1.67 112.91 117.96 3kqz h THR 377 Ca -0.29 -1.71 -0.07 0.00 -0.55 0.00 0.00 66.41 63.80 3kqz h THR 377 Cb 1.13 2.20 -0.25 0.00 -1.73 0.00 0.00 68.15 69.51 3kqz h THR 377 CO 0.69 0.32 -0.18 0.12 -0.25 0.00 0.00 175.52 176.21 3kqz s PHE 378 N -3.14 -0.76 -0.42 4.73 5.36 -1.26 -4.21 117.98 118.27 3kqz s PHE 378 Ca 0.04 1.59 -0.08 0.00 -0.96 0.00 0.00 56.93 57.52 3kqz s PHE 378 Cb 0.07 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.23 3kqz s PHE 378 CO 0.71 -0.41 0.25 0.34 -1.46 0.00 0.00 175.22 174.65 3kqz s ASP 379 N 1.46 5.55 0.40 6.13 -1.08 -1.20 -1.02 116.67 126.91 3kqz s ASP 379 Ca -0.09 -1.62 0.27 0.00 -0.52 0.00 0.00 52.55 50.59 3kqz s ASP 379 Cb -0.07 -1.95 0.93 0.00 -1.46 0.00 0.00 42.92 40.37 3kqz s ASP 379 CO -0.15 -0.54 1.80 0.77 0.52 0.00 0.00 175.17 177.56 3kqz h SER 380 N 8.34 0.00 0.00 -0.34 4.64 -1.58 -3.46 113.55 121.15 3kqz h SER 380 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3kqz h SER 380 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kqz h SER 380 CO 0.75 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 3kqz n GLY 381 N 0.51 3.22 7.00 -0.77 0.00 -1.26 -1.36 105.19 112.53 3kqz n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -0.90 -1.53 0.43 -0.02 0.00 -1.26 -2.27 105.19 99.66 3kqz n GLY 382 Ca 0.00 -1.31 0.25 0.00 0.00 0.00 0.00 46.02 44.96 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.00 -0.00 1.61 0.05 -1.82 -0.75 116.97 116.06 3kqz h TYR 383 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 3kqz h TYR 383 Cb 0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 3kqz h TYR 383 CO 0.00 0.00 3.63 0.09 -1.05 0.00 0.00 178.16 180.83 3kqz n ASN 384 N -3.98 7.16 -4.76 3.88 4.13 -1.23 -4.99 115.26 115.47 3kqz n ASN 384 Ca 0.14 -2.66 -0.41 0.00 1.68 0.00 0.00 54.58 53.33 3kqz n ASN 384 Cb 0.84 -1.59 -0.01 0.00 -1.54 0.00 0.00 39.78 37.48 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqz s LEU 385 N 0.84 4.34 -1.03 3.41 2.96 -0.29 -4.47 118.68 124.44 3kqz s LEU 385 Ca 0.62 2.96 -0.25 0.00 -0.22 0.00 0.00 54.13 57.24 3kqz s LEU 385 Cb 0.17 -3.65 -0.15 0.00 0.50 0.00 0.00 46.19 43.06 3kqz s LEU 385 CO -0.07 -0.88 2.10 -0.54 -1.32 0.00 0.00 176.35 175.65 3kqz s LYS 386 N -1.09 1.77 -0.15 1.98 1.02 -0.46 -4.57 119.74 118.25 3kqz s LYS 386 Ca 0.59 -0.43 0.10 0.00 0.02 0.00 0.00 55.97 56.25 3kqz s LYS 386 Cb -0.47 -5.02 -0.16 0.00 -0.52 0.00 0.00 37.83 31.66 3kqz s LYS 386 CO 0.53 -4.64 0.00 0.00 -0.92 0.00 0.00 175.35 170.32 3kqz n ALA 387 N 17.40 1.65 -1.77 5.17 0.00 -1.26 -4.67 120.51 137.03 3kqz n ALA 387 Ca 0.43 -0.89 -0.39 0.00 0.00 0.00 0.00 53.44 52.59 3kqz n ALA 387 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -2.34 3.17 0.17 0.00 0.00 -1.26 -4.92 121.76 116.58 3kqz s ALA 388 Ca -0.11 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 3kqz s ALA 388 Cb 0.05 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 3kqz s ALA 388 CO 0.54 -0.94 0.73 -2.30 0.00 0.00 0.00 175.76 173.78 3kqz n PRO 389 N -0.14 0.26 -1.05 0.00 -0.02 -1.26 -1.64 135.00 131.16 3kqz n PRO 389 Ca 0.05 0.09 -0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3kqz n PRO 389 Cb 0.44 -1.27 -0.01 0.00 -0.02 0.00 0.00 33.50 32.64 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 390 N 1.82 0.46 0.04 -1.23 0.00 -1.26 -4.87 105.19 100.15 3kqz n GLY 390 Ca 0.17 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3kqz n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 391 N -0.10 0.50 -3.71 1.61 3.41 -0.65 -4.95 113.62 109.73 3kqz n SER 391 Ca -0.02 0.17 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 3kqz n SER 391 Cb 0.19 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3kqz n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqz n MET 392 N -1.81 -4.47 -0.08 4.33 2.81 -1.26 -4.87 117.12 111.76 3kqz n MET 392 Ca 0.05 0.60 0.06 0.00 -1.81 0.00 0.00 57.70 56.60 3kqz n MET 392 Cb 0.38 -5.08 0.41 0.00 -0.71 0.00 0.00 33.22 28.23 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -1.84 1.04 -0.12 2.02 2.10 -1.93 -1.92 117.51 116.86 3kqz h ILE 393 Ca -0.62 -0.21 0.04 0.00 1.08 0.00 0.00 64.86 65.15 3kqz h ILE 393 Cb 1.36 0.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.47 3kqz h ILE 393 CO 0.56 0.11 0.17 -2.24 -1.08 0.00 0.00 178.15 175.67 3kqz h ASP 394 N 0.60 0.00 0.29 2.19 2.03 -1.96 -1.81 116.42 117.76 3kqz h ASP 394 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3kqz h ASP 394 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3kqz h ASP 394 CO -0.06 0.00 -0.14 -0.11 -1.03 0.00 0.00 179.24 177.89 3kqz n LEU 395 N -3.64 0.69 0.00 0.15 7.94 -0.72 -4.52 117.00 116.90 3kqz n LEU 395 Ca 0.00 -0.10 0.14 0.00 -1.11 0.00 0.00 56.01 54.94 3kqz n LEU 395 Cb 0.27 -0.15 0.73 0.00 0.53 0.00 0.00 43.42 44.81 3kqz n LEU 395 CO 0.25 0.13 0.99 0.23 -1.11 0.00 0.00 177.39 177.88 3kqz n MET 396 N -0.79 0.45 0.30 1.96 2.81 -0.68 -1.04 117.12 120.12 3kqz n MET 396 Ca 0.14 0.02 0.19 0.00 -1.81 0.00 0.00 57.70 56.24 3kqz n MET 396 Cb 0.30 -1.50 0.99 0.00 -0.71 0.00 0.00 33.22 32.30 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 -0.04 0.03 2.10 -1.80 -1.69 116.57 115.17 3kqz h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqz h LYS 397 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3kqz h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqz n PHE 398 N -3.31 0.06 1.72 0.07 -0.00 -0.21 -3.52 117.46 112.27 3kqz n PHE 398 Ca -0.01 -0.03 0.11 0.00 -0.00 0.00 0.00 57.45 57.52 3kqz n PHE 398 Cb 0.22 0.00 0.65 0.00 -0.00 0.00 0.00 39.48 40.34 3kqz n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqz n ASP 399 N -0.49 0.00 -0.92 5.98 2.03 -0.64 -1.96 116.55 120.55 3kqz n ASP 399 Ca 0.14 -1.04 0.07 0.00 0.52 0.00 0.00 54.79 54.49 3kqz n ASP 399 Cb 0.13 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.76 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.90 3.03 -0.26 -0.67 0.00 -0.63 -2.34 117.12 115.36 3kqz n MET 400 Ca 0.16 -2.43 0.09 0.00 0.00 0.00 0.00 57.70 55.52 3kqz n MET 400 Cb 0.07 -1.54 0.35 0.00 0.00 0.00 0.00 33.22 32.10 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 2.51 0.70 0.78 3.17 0.02 -1.55 -0.38 113.55 118.79 3kqz h SER 401 Ca 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3kqz h SER 401 Cb 1.05 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3kqz h SER 401 CO 0.09 0.40 -0.41 1.23 -1.14 0.00 0.00 176.83 177.00 3kqz h GLY 402 N 0.77 -1.16 -0.43 -3.77 0.00 -1.76 0.15 103.07 96.86 3kqz h GLY 402 Ca 0.41 0.45 0.13 0.00 0.00 0.00 0.00 47.33 48.32 3kqz h GLY 402 CO -0.17 -0.42 -0.23 0.00 0.00 0.00 0.00 176.54 175.72 3kqz h ALA 404 N 1.50 0.56 -0.56 0.00 0.00 -0.89 0.22 119.26 120.09 3kqz h ALA 404 Ca 0.31 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.34 3kqz h ALA 404 Cb 0.53 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3kqz h ALA 404 CO -0.72 -0.18 0.21 0.00 0.00 0.00 0.00 179.25 178.56 3kqz h ALA 405 N 1.27 0.70 -0.32 0.00 0.00 0.73 0.54 119.26 122.19 3kqz h ALA 405 Ca 0.20 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3kqz h ALA 405 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kqz h ALA 405 CO -0.18 -0.20 -0.26 0.28 0.00 0.00 0.00 179.25 178.90 3kqz h VAL 406 N 0.39 1.27 0.05 0.00 2.07 0.79 -1.43 116.25 119.40 3kqz h VAL 406 Ca 0.27 -1.35 -0.28 0.00 0.82 0.00 0.00 66.70 66.17 3kqz h VAL 406 Cb 0.31 1.32 0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3kqz h VAL 406 CO -0.28 0.44 -1.12 -0.07 0.02 0.00 0.00 177.57 176.56 3kqz h LEU 407 N 0.55 0.84 -2.10 2.57 4.07 -0.27 0.31 115.31 121.28 3kqz h LEU 407 Ca 0.07 -0.72 -0.02 0.00 0.08 0.00 0.00 57.88 57.30 3kqz h LEU 407 Cb 0.74 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 3kqz h LEU 407 CO 0.06 1.52 -0.08 1.23 -1.08 0.00 0.00 178.44 180.09 3kqz h GLY 408 N 0.51 0.00 0.68 0.83 0.00 -0.67 -0.89 103.07 103.53 3kqz h GLY 408 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 3kqz h GLY 408 CO 0.21 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 176.11 3kqz h ALA 410 N 0.19 1.36 -0.38 0.00 0.00 -0.45 0.16 119.26 120.13 3kqz h ALA 410 Ca -0.10 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kqz h ALA 410 Cb 1.43 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3kqz h ALA 410 CO 0.12 -0.37 0.23 -0.92 0.00 0.00 0.00 179.25 178.31 3kqz h TYR 411 N 0.34 0.44 -0.30 0.00 3.20 -1.11 0.64 116.97 120.18 3kqz h TYR 411 Ca 0.55 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.28 3kqz h TYR 411 Cb 1.05 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3kqz h TYR 411 CO -0.17 0.26 -0.41 0.00 -1.64 0.00 0.00 178.16 176.20 3kqz h VAL 413 N 0.58 1.31 -0.29 0.00 2.07 -0.79 -0.24 116.25 118.89 3kqz h VAL 413 Ca 0.03 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3kqz h VAL 413 Cb 1.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3kqz h VAL 413 CO 0.10 0.48 0.19 1.23 0.02 0.00 0.00 177.57 179.59 3kqz h GLY 414 N 0.39 0.41 0.00 2.17 0.00 0.42 0.37 103.07 106.83 3kqz h GLY 414 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3kqz h GLY 414 CO 0.08 0.15 -0.33 -0.84 0.00 0.00 0.00 176.54 175.60 3kqz h THR 415 N 0.39 0.00 0.00 4.70 2.02 -1.14 -3.37 112.91 115.52 3kqz h THR 415 Ca 0.11 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3kqz h THR 415 Cb -0.04 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3kqz h THR 415 CO -0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.05 3kqz n LEU 416 N -4.40 0.46 -3.93 2.58 4.77 -0.11 -4.93 117.00 111.44 3kqz n LEU 416 Ca -0.05 0.67 -0.26 0.00 -0.03 0.00 0.00 56.01 56.35 3kqz n LEU 416 Cb 0.17 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 3kqz n LEU 416 CO 0.07 -0.69 -0.17 0.29 -1.33 0.00 0.00 177.39 175.55 3kqz n LYS 417 N -2.07 -3.67 -1.26 3.23 5.02 0.12 -4.89 118.16 114.65 3kqz n LYS 417 Ca 0.00 0.45 -0.37 0.00 -2.02 0.00 0.00 58.31 56.37 3kqz n LYS 417 Cb 0.11 -4.73 0.04 0.00 -0.02 0.00 0.00 35.03 30.43 3kqz n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqz n PRO 418 N -4.39 0.21 -2.62 1.97 -0.04 -1.26 -4.98 135.00 123.88 3kqz n PRO 418 Ca -0.26 0.09 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 3kqz n PRO 418 Cb 0.66 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 3kqz n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqz s GLU 419 N -2.09 3.54 -1.34 0.54 2.02 -1.26 -4.39 118.70 115.71 3kqz s GLU 419 Ca 0.61 0.20 -0.09 0.00 0.02 0.00 0.00 54.97 55.71 3kqz s GLU 419 Cb -0.38 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.49 3kqz s GLU 419 CO 0.63 -0.21 1.14 0.09 0.02 0.00 0.00 175.26 176.93 3kqz n ASN 420 N -2.27 -6.31 -3.69 -0.19 3.02 -1.26 -4.95 115.26 99.61 3kqz n ASN 420 Ca 0.01 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 53.93 3kqz n ASN 420 Cb 0.55 -4.94 -0.11 0.00 -0.61 0.00 0.00 39.78 34.67 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqz s VAL 421 N -3.31 -0.02 -0.19 2.41 0.11 -1.26 -1.96 120.40 116.18 3kqz s VAL 421 Ca 0.57 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 3kqz s VAL 421 Cb -0.25 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3kqz s VAL 421 CO 0.70 0.04 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.64 3kqz s GLU 422 N 1.41 3.00 -0.11 1.54 2.12 0.59 -1.12 118.70 126.14 3kqz s GLU 422 Ca -0.10 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.43 3kqz s GLU 422 Cb -0.08 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.66 3kqz s GLU 422 CO -0.13 -0.23 -0.21 0.42 -0.54 0.00 0.00 175.26 174.57 3kqz s ILE 423 N 1.31 1.87 -0.22 -3.70 1.01 0.56 -0.27 121.20 121.76 3kqz s ILE 423 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3kqz s ILE 423 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3kqz s ILE 423 CO -0.11 0.52 0.08 -1.00 0.00 0.00 0.00 174.94 174.43 3kqz s HIS 424 N 0.66 3.19 -0.44 3.97 3.76 0.16 -0.96 115.29 125.63 3kqz s HIS 424 Ca -0.12 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 3kqz s HIS 424 Cb -0.16 -2.17 0.06 0.00 1.11 0.00 0.00 32.58 31.42 3kqz s HIS 424 CO 0.03 -0.04 0.33 -0.06 -0.85 0.00 0.00 174.74 174.14 3kqz s PHE 425 N 0.93 3.27 -0.06 1.40 0.08 0.14 0.11 117.98 123.85 3kqz s PHE 425 Ca 0.04 -1.06 0.02 0.00 0.12 0.00 0.00 56.93 56.05 3kqz s PHE 425 Cb -0.14 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 3kqz s PHE 425 CO 0.03 -0.77 -0.10 -0.51 -0.10 0.00 0.00 175.22 173.77 3kqz s LEU 426 N 1.58 3.00 -0.14 -0.37 1.43 0.23 -1.39 118.68 123.02 3kqz s LEU 426 Ca 0.04 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3kqz s LEU 426 Cb -0.23 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.42 3kqz s LEU 426 CO 0.06 0.36 0.28 -0.55 0.23 0.00 0.00 176.35 176.72 3kqz s SER 427 N -0.77 0.28 -0.91 2.29 0.15 -0.31 0.11 113.70 114.53 3kqz s SER 427 Ca 0.12 0.64 -0.24 0.00 0.70 0.00 0.00 55.95 57.16 3kqz s SER 427 Cb -0.11 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 3kqz s SER 427 CO 0.01 -0.24 1.46 0.00 1.20 0.00 0.00 173.24 175.67 3kqz s ALA 428 N 2.42 2.62 -0.04 5.45 0.00 -1.26 -0.33 121.76 130.62 3kqz s ALA 428 Ca 0.01 -1.87 -0.23 0.00 0.00 0.00 0.00 51.96 49.86 3kqz s ALA 428 Cb -0.12 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 3kqz s ALA 428 CO -0.09 -3.63 0.69 0.08 0.00 0.00 0.00 175.76 172.81 3kqz s VAL 429 N 5.77 4.97 0.16 0.00 1.01 -0.65 -3.78 120.40 127.88 3kqz s VAL 429 Ca 0.45 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 3kqz s VAL 429 Cb -0.03 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3kqz s VAL 429 CO -0.01 0.30 0.57 0.00 0.00 0.00 0.00 175.10 175.97 3kqz s GLU 431 N -2.04 0.66 -0.35 0.00 2.12 -1.26 -0.94 118.70 116.89 3kqz s GLU 431 Ca 0.12 -0.88 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 3kqz s GLU 431 Cb -0.02 -0.47 0.09 0.00 0.26 0.00 0.00 34.13 33.98 3kqz s GLU 431 CO 0.05 0.09 0.08 1.21 -0.54 0.00 0.00 175.26 176.15 3kqz s ASN 432 N -1.76 4.96 0.28 -1.70 2.47 -0.19 -4.22 114.94 114.77 3kqz s ASN 432 Ca -0.05 -1.83 0.07 0.00 0.42 0.00 0.00 52.86 51.46 3kqz s ASN 432 Cb -0.09 -1.72 -0.06 0.00 -1.45 0.00 0.00 41.25 37.94 3kqz s ASN 432 CO 0.01 -0.40 -0.07 -0.04 -3.72 0.00 0.00 177.10 172.88 3kqz s MET 433 N 1.09 1.54 -0.21 0.43 -1.94 -1.26 -1.31 119.30 117.65 3kqz s MET 433 Ca 0.04 -1.78 -0.10 0.00 -1.71 0.00 0.00 55.69 52.15 3kqz s MET 433 Cb -0.21 -1.17 -0.05 0.00 2.01 0.00 0.00 34.83 35.42 3kqz s MET 433 CO -0.05 0.05 0.14 0.08 -0.01 0.00 0.00 175.02 175.23 3kqz s VAL 434 N -3.00 5.40 -0.15 -6.03 1.01 -1.26 -4.61 120.40 111.76 3kqz s VAL 434 Ca 0.29 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 62.14 3kqz s VAL 434 Cb 0.03 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 33.07 3kqz s VAL 434 CO 0.12 0.42 1.10 -0.55 0.00 0.00 0.00 175.10 176.19 3kqz s SER 435 N 0.48 -0.23 0.61 3.32 0.15 -1.26 -4.97 113.70 111.81 3kqz s SER 435 Ca 0.08 0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.07 3kqz s SER 435 Cb -0.11 0.22 1.42 0.00 -1.71 0.00 0.00 66.02 65.84 3kqz s SER 435 CO -0.01 -0.33 1.79 0.07 1.20 0.00 0.00 173.24 175.96 3kqz h LYS 436 N 2.11 0.00 -0.01 5.44 2.10 -1.96 -1.67 116.57 122.57 3kqz h LYS 436 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 3kqz h LYS 436 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3kqz h LYS 436 CO 0.26 0.00 -0.55 0.09 -2.00 0.00 0.00 179.45 177.26 3kqz n ASN 437 N -2.74 1.86 -4.74 7.07 5.03 -1.26 -5.00 115.26 115.47 3kqz n ASN 437 Ca -0.02 -1.43 -0.33 0.00 0.87 0.00 0.00 54.58 53.67 3kqz n ASN 437 Cb 0.40 0.56 0.07 0.00 -1.02 0.00 0.00 39.78 39.79 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.52 4.58 0.71 6.41 0.01 -0.63 -3.94 113.70 118.32 3kqz s SER 438 Ca 0.17 2.16 -0.12 0.00 1.31 0.00 0.00 55.95 59.47 3kqz s SER 438 Cb 0.17 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.86 3kqz s SER 438 CO 0.61 -1.99 1.08 -0.72 0.41 0.00 0.00 173.24 172.63 3kqz s TYR 439 N -2.21 2.76 0.09 2.43 1.13 -1.26 -4.88 117.35 115.41 3kqz s TYR 439 Ca 0.70 1.52 0.10 0.00 -1.41 0.00 0.00 57.07 57.98 3kqz s TYR 439 Cb -0.24 -3.03 -0.03 0.00 -1.10 0.00 0.00 41.96 37.56 3kqz s TYR 439 CO 0.44 -1.56 -0.26 1.03 -2.51 0.00 0.00 175.55 172.69 3kqz s ARG 440 N -4.68 1.54 0.09 -3.49 0.52 -1.26 -4.60 118.95 107.07 3kqz s ARG 440 Ca 0.62 -1.23 -0.36 0.00 -0.52 0.00 0.00 55.73 54.24 3kqz s ARG 440 Cb -0.17 -1.88 -0.16 0.00 0.52 0.00 0.00 34.95 33.26 3kqz s ARG 440 CO 0.51 0.46 1.42 -2.30 0.02 0.00 0.00 175.30 175.41 3kqz n PRO 441 N 1.30 1.39 0.00 3.54 -0.02 -1.26 -1.57 135.00 138.38 3kqz n PRO 441 Ca -0.18 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3kqz n PRO 441 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 2.81 2.50 3.62 -1.23 0.00 0.23 -5.01 105.19 108.10 3kqz n GLY 442 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.00 1.13 -4.32 1.61 9.92 -0.61 -4.46 116.55 119.83 3kqz n ASP 443 Ca 0.00 0.95 -0.34 0.00 -0.53 0.00 0.00 54.79 54.87 3kqz n ASP 443 Cb 0.00 -1.38 -0.14 0.00 -0.64 0.00 0.00 41.12 38.96 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -1.37 3.19 0.16 0.53 1.01 -1.26 -0.35 121.20 123.10 3kqz s ILE 444 Ca 0.68 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.84 3kqz s ILE 444 Cb -0.49 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3kqz s ILE 444 CO 0.53 0.47 -0.19 0.27 0.00 0.00 0.00 174.94 176.02 3kqz s ILE 445 N 1.07 1.84 -0.25 2.92 -4.36 -0.10 -4.90 121.20 117.43 3kqz s ILE 445 Ca 0.00 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.46 3kqz s ILE 445 Cb -0.15 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 3kqz s ILE 445 CO -0.01 -0.25 0.08 -0.89 0.24 0.00 0.00 174.94 174.11 3kqz s THR 446 N -1.86 4.42 1.02 8.37 2.01 -1.26 0.28 115.64 128.62 3kqz s THR 446 Ca 0.14 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 3kqz s THR 446 Cb -0.07 -3.07 0.20 0.00 0.01 0.00 0.00 72.50 69.58 3kqz s THR 446 CO 0.06 0.33 1.08 0.00 -0.69 0.00 0.00 174.62 175.40 3kqz s ALA 447 N 1.61 0.67 0.53 7.40 0.00 0.08 -1.93 121.76 130.12 3kqz s ALA 447 Ca 0.06 -0.14 0.41 0.00 0.00 0.00 0.00 51.96 52.30 3kqz s ALA 447 Cb -0.15 -3.20 2.24 0.00 0.00 0.00 0.00 23.12 22.00 3kqz s ALA 447 CO 0.04 -3.04 2.27 0.66 0.00 0.00 0.00 175.76 175.69 3kqz h SER 448 N -2.05 0.00 -0.52 0.00 4.64 -1.73 -1.74 113.55 112.16 3kqz h SER 448 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3kqz h SER 448 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kqz h SER 448 CO 0.53 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 3kqz n ASN 449 N -2.97 4.00 0.00 4.97 6.94 -1.26 -4.92 115.26 122.02 3kqz n ASN 449 Ca -0.03 -2.39 0.00 0.00 -0.02 0.00 0.00 54.58 52.14 3kqz n ASN 449 Cb 0.08 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 0.93 2.01 3.70 4.83 0.00 -0.65 -5.02 105.19 110.99 3kqz n GLY 450 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.17 4.36 0.08 1.61 1.02 -1.26 -4.76 119.74 120.62 3kqz s LYS 451 Ca 0.00 1.86 -0.20 0.00 0.02 0.00 0.00 55.97 57.65 3kqz s LYS 451 Cb 0.00 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 3kqz s LYS 451 CO 0.00 -0.41 0.60 0.95 -0.92 0.00 0.00 175.35 175.57 3kqz s THR 452 N 1.63 4.70 -0.08 2.17 -4.23 -1.26 -0.74 115.64 117.83 3kqz s THR 452 Ca 0.61 1.29 0.02 0.00 -1.18 0.00 0.00 61.69 62.43 3kqz s THR 452 Cb -0.30 -3.94 0.01 0.00 1.34 0.00 0.00 72.50 69.61 3kqz s THR 452 CO 0.27 0.54 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.13 3kqz s ILE 453 N -1.05 1.24 -0.36 2.99 1.01 0.14 -2.11 121.20 123.06 3kqz s ILE 453 Ca 0.30 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 3kqz s ILE 453 Cb -0.20 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3kqz s ILE 453 CO 0.20 0.38 0.39 -0.70 0.00 0.00 0.00 174.94 175.21 3kqz s GLU 454 N 0.73 3.48 -0.12 2.79 2.12 -0.66 -0.92 118.70 126.13 3kqz s GLU 454 Ca -0.13 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 3kqz s GLU 454 Cb -0.16 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 3kqz s GLU 454 CO 0.03 -0.59 1.53 0.08 -0.54 0.00 0.00 175.26 175.76 3kqz s VAL 455 N 2.07 3.81 -0.14 3.70 1.01 0.53 -2.35 120.40 129.03 3kqz s VAL 455 Ca 0.12 0.97 0.19 0.00 0.00 0.00 0.00 61.98 63.27 3kqz s VAL 455 Cb -0.17 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 3kqz s VAL 455 CO 0.12 -0.13 0.73 0.61 0.00 0.00 0.00 175.10 176.43 3kqz n GLY 456 N 4.08 -1.20 3.59 4.51 0.00 -1.26 0.76 105.19 115.67 3kqz n GLY 456 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -5.40 -1.01 0.00 1.61 3.84 -1.26 -4.78 114.94 107.94 3kqz s ASN 457 Ca -0.04 1.49 0.07 0.00 0.21 0.00 0.00 52.86 54.58 3kqz s ASN 457 Cb 0.10 2.11 0.30 0.00 -0.55 0.00 0.00 41.25 43.21 3kqz s ASN 457 CO 0.83 -0.22 1.17 0.35 -2.79 0.00 0.00 177.10 176.44 3kqz n THR 458 N 5.37 1.36 1.03 -5.21 -2.24 -1.26 -1.71 114.28 111.61 3kqz n THR 458 Ca -0.12 0.34 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 3kqz n THR 458 Cb 0.50 -1.23 0.10 0.00 -2.10 0.00 0.00 70.33 67.60 3kqz n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 459 N -1.44 0.89 -1.92 3.42 2.03 -0.96 -3.02 116.55 115.55 3kqz n ASP 459 Ca 0.02 -0.72 -0.14 0.00 0.52 0.00 0.00 54.79 54.47 3kqz n ASP 459 Cb 0.07 0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 41.00 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.27 5.25 0.07 -1.67 0.00 -0.70 -4.56 120.51 117.63 3kqz n ALA 460 Ca 0.06 -1.52 -0.06 0.00 0.00 0.00 0.00 53.44 51.91 3kqz n ALA 460 Cb 0.35 -1.54 0.10 0.00 0.00 0.00 0.00 19.45 18.35 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 1.83 0.32 -0.37 0.00 9.09 -1.76 -3.30 114.58 120.38 3kqz h GLU 461 Ca 0.22 -0.22 0.08 0.00 0.05 0.00 0.00 59.36 59.50 3kqz h GLU 461 Cb 0.98 0.03 -0.08 0.00 -1.65 0.00 0.00 28.75 28.03 3kqz h GLU 461 CO 0.53 0.82 -0.13 0.78 0.05 0.00 0.00 179.01 181.06 3kqz h GLY 462 N 1.37 0.20 2.00 1.06 0.00 -1.90 -1.21 103.07 104.60 3kqz h GLY 462 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kqz h GLY 462 CO 0.10 -0.16 0.00 0.07 0.00 0.00 0.00 176.54 176.55 3kqz h ARG 463 N -0.05 0.00 0.05 4.80 0.11 -1.93 0.77 114.38 118.12 3kqz h ARG 463 Ca 0.18 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.12 3kqz h ARG 463 Cb 0.33 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.42 3kqz h ARG 463 CO -0.41 0.00 -0.58 -0.07 0.10 0.00 0.00 179.97 179.01 3kqz h LEU 464 N 0.00 0.42 -0.17 0.08 3.38 -1.40 0.52 115.31 118.14 3kqz h LEU 464 Ca 0.00 -0.85 -0.05 0.00 0.09 0.00 0.00 57.88 57.07 3kqz h LEU 464 Cb 0.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kqz h LEU 464 CO 0.00 1.23 -0.08 0.71 0.09 0.00 0.00 178.44 180.38 3kqz h THR 465 N -0.32 1.31 -0.99 0.22 1.35 -0.84 -2.87 112.91 110.76 3kqz h THR 465 Ca -0.09 -1.13 0.11 0.00 -0.55 0.00 0.00 66.41 64.75 3kqz h THR 465 Cb 1.36 1.70 -0.08 0.00 -1.73 0.00 0.00 68.15 69.40 3kqz h THR 465 CO 0.11 0.34 0.63 -0.07 -0.25 0.00 0.00 175.52 176.28 3kqz h LEU 466 N 0.03 0.93 -0.27 3.87 3.38 -0.94 -1.46 115.31 120.86 3kqz h LEU 466 Ca 0.04 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3kqz h LEU 466 Cb 0.56 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3kqz h LEU 466 CO 0.02 0.52 -0.10 0.00 0.09 0.00 0.00 178.44 178.97 3kqz h ALA 467 N 1.53 0.13 -0.04 1.53 0.00 -0.67 0.42 119.26 122.16 3kqz h ALA 467 Ca 0.48 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.35 3kqz h ALA 467 Cb 0.44 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kqz h ALA 467 CO -0.24 -0.50 -0.62 -0.44 0.00 0.00 0.00 179.25 177.45 3kqz h ASP 468 N -0.05 0.18 -0.25 0.00 3.32 -1.37 -1.83 116.42 116.42 3kqz h ASP 468 Ca 0.14 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3kqz h ASP 468 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3kqz h ASP 468 CO -0.31 0.75 -0.26 0.00 -1.72 0.00 0.00 179.24 177.71 3kqz h ALA 469 N 1.25 0.87 -0.37 3.45 0.00 -0.70 -1.83 119.26 121.93 3kqz h ALA 469 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3kqz h ALA 469 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kqz h ALA 469 CO 0.09 0.63 -0.37 -0.07 0.00 0.00 0.00 179.25 179.53 3kqz h LEU 470 N 0.63 0.92 -0.88 0.00 3.38 0.01 0.62 115.31 119.99 3kqz h LEU 470 Ca 0.08 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3kqz h LEU 470 Cb 0.76 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kqz h LEU 470 CO 0.06 1.18 0.13 -0.37 0.09 0.00 0.00 178.44 179.53 3kqz h VAL 471 N 0.71 1.25 0.51 1.22 -1.51 -1.21 -0.35 116.25 116.87 3kqz h VAL 471 Ca 0.06 -0.91 -0.03 0.00 -1.23 0.00 0.00 66.70 64.59 3kqz h VAL 471 Cb 0.94 0.64 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3kqz h VAL 471 CO 0.09 0.34 -0.25 0.22 -1.23 0.00 0.00 177.57 176.74 3kqz h TYR 472 N 0.92 -0.64 -0.50 5.19 3.20 -1.07 -1.90 116.97 122.17 3kqz h TYR 472 Ca 0.19 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.15 3kqz h TYR 472 Cb 0.35 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 3kqz h TYR 472 CO 0.02 -0.39 -0.27 0.00 -1.64 0.00 0.00 178.16 175.88 3kqz h ALA 473 N -0.21 0.03 -0.11 1.82 0.00 -0.66 -1.03 119.26 119.10 3kqz h ALA 473 Ca -0.07 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 473 Cb 0.53 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kqz h ALA 473 CO 0.12 -0.62 -0.17 1.49 0.00 0.00 0.00 179.25 180.07 3kqz h GLU 474 N -0.16 0.18 0.00 0.00 4.81 -0.93 -1.06 114.58 117.43 3kqz h GLU 474 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3kqz h GLU 474 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3kqz h GLU 474 CO -0.59 0.36 0.00 1.63 -0.73 0.00 0.00 179.01 179.68 3kqz n LYS 475 N -4.26 0.04 0.07 1.92 5.02 -0.42 -1.91 118.16 118.61 3kqz n LYS 475 Ca -0.01 0.19 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 3kqz n LYS 475 Cb 0.28 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.27 3kqz n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqz n LEU 476 N -1.47 0.52 -1.18 -0.35 4.32 -0.40 -4.96 117.00 113.49 3kqz n LEU 476 Ca 0.05 0.55 -0.03 0.00 -0.02 0.00 0.00 56.01 56.56 3kqz n LEU 476 Cb 0.19 -0.40 0.01 0.00 -1.62 0.00 0.00 43.42 41.61 3kqz n LEU 476 CO 0.15 -0.15 0.03 0.61 -1.22 0.00 0.00 177.39 176.82 3kqz n GLY 477 N 1.26 0.52 3.98 -0.72 0.00 -0.80 -5.05 105.19 104.38 3kqz n GLY 477 Ca 0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -3.05 3.24 -0.13 1.61 -7.23 -1.26 -4.92 120.40 108.65 3kqz s VAL 478 Ca 0.04 -0.72 -0.10 0.00 -1.81 0.00 0.00 61.98 59.39 3kqz s VAL 478 Cb -0.02 -3.17 -0.25 0.00 0.56 0.00 0.00 36.38 33.50 3kqz s VAL 478 CO 0.11 -0.10 0.35 0.47 -0.31 0.00 0.00 175.10 175.62 3kqz n ASP 479 N -2.10 2.08 -4.19 4.85 8.00 0.72 -4.89 116.55 121.01 3kqz n ASP 479 Ca 0.05 0.26 -0.26 0.00 0.71 0.00 0.00 54.79 55.55 3kqz n ASP 479 Cb 0.59 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 3kqz n ASP 479 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kqz s TYR 480 N -2.52 1.72 -0.12 1.24 2.02 -1.04 -3.45 117.35 115.20 3kqz s TYR 480 Ca -0.23 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 3kqz s TYR 480 Cb 0.06 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.51 3kqz s TYR 480 CO 0.74 -0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.89 3kqz s ILE 481 N -0.44 2.26 -0.08 2.71 1.01 0.38 -1.26 121.20 125.78 3kqz s ILE 481 Ca 0.07 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3kqz s ILE 481 Cb -0.08 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3kqz s ILE 481 CO -0.01 0.55 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 3kqz s VAL 482 N 0.48 1.59 -0.03 2.92 1.01 0.46 -0.79 120.40 126.05 3kqz s VAL 482 Ca -0.14 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3kqz s VAL 482 Cb -0.17 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kqz s VAL 482 CO 0.06 0.46 -0.19 1.51 0.00 0.00 0.00 175.10 176.93 3kqz s ASP 483 N 0.50 3.61 -0.02 3.32 1.47 0.02 -0.57 116.67 125.00 3kqz s ASP 483 Ca -0.17 -0.33 0.03 0.00 1.18 0.00 0.00 52.55 53.27 3kqz s ASP 483 Cb -0.17 -0.62 -0.00 0.00 -0.34 0.00 0.00 42.92 41.79 3kqz s ASP 483 CO 0.06 0.33 -0.11 -0.51 0.68 0.00 0.00 175.17 175.62 3kqz s ILE 484 N -0.70 0.96 -0.28 2.11 2.07 0.11 -0.22 121.20 125.24 3kqz s ILE 484 Ca 0.11 -0.47 -0.21 0.00 -1.41 0.00 0.00 60.65 58.67 3kqz s ILE 484 Cb -0.10 -0.83 0.12 0.00 0.13 0.00 0.00 42.46 41.78 3kqz s ILE 484 CO 0.00 0.28 0.96 0.00 -1.91 0.00 0.00 174.94 174.27 3kqz s ALA 485 N 0.03 -2.05 -1.45 1.50 0.00 -0.62 -1.20 121.76 117.97 3kqz s ALA 485 Ca -0.01 2.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.88 3kqz s ALA 485 Cb -0.08 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.58 3kqz s ALA 485 CO 0.00 -0.29 2.30 0.25 0.00 0.00 0.00 175.76 178.02 3kqz n THR 486 N 2.94 3.88 0.03 0.00 -2.24 -1.26 -0.29 114.28 117.33 3kqz n THR 486 Ca -0.15 -3.28 -0.11 0.00 -2.27 0.00 0.00 64.05 58.23 3kqz n THR 486 Cb 0.57 -2.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.18 3kqz n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqz h LEU 487 N 8.80 -0.13 -7.65 3.22 5.85 -1.91 -3.43 115.31 120.07 3kqz h LEU 487 Ca 0.60 -0.45 -0.39 0.00 0.84 0.00 0.00 57.88 58.48 3kqz h LEU 487 Cb 0.56 0.03 -0.35 0.00 0.37 0.00 0.00 40.66 41.27 3kqz h LEU 487 CO 1.80 0.46 -0.76 0.42 -0.34 0.00 0.00 178.44 180.02 3kqz s THR 488 N -3.45 0.37 0.56 1.05 -4.23 -1.26 -4.94 115.64 103.74 3kqz s THR 488 Ca -0.14 -0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.71 3kqz s THR 488 Cb 0.00 -0.44 0.51 0.00 1.34 0.00 0.00 72.50 73.91 3kqz s THR 488 CO 0.53 0.20 1.78 1.23 -0.54 0.00 0.00 174.62 177.83 3kqz h GLY 489 N 7.37 0.00 0.80 3.99 0.00 -1.94 -2.01 103.07 111.28 3kqz h GLY 489 Ca -0.37 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.12 3kqz h GLY 489 CO 0.44 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.42 3kqz h ALA 490 N 1.35 2.36 -0.73 3.60 0.00 -1.96 0.15 119.26 124.03 3kqz h ALA 490 Ca 0.50 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.59 3kqz h ALA 490 Cb 2.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 3kqz h ALA 490 CO -0.01 -0.54 0.51 0.52 0.00 0.00 0.00 179.25 179.74 3kqz h MET 491 N 0.17 0.12 0.00 0.00 2.86 -1.75 0.49 114.93 116.82 3kqz h MET 491 Ca 0.31 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3kqz h MET 491 Cb 0.98 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3kqz h MET 491 CO -0.05 0.08 0.00 -0.07 1.06 0.00 0.00 176.91 177.93 3kqz h LEU 492 N 0.13 0.00 0.00 1.22 3.38 -0.93 -1.06 115.31 118.05 3kqz h LEU 492 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3kqz h LEU 492 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kqz h LEU 492 CO -0.05 0.00 -1.31 -1.22 0.09 0.00 0.00 178.44 175.95 3kqz n TYR 493 N -3.05 0.00 -0.07 1.13 4.02 0.17 -3.65 117.16 115.70 3kqz n TYR 493 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.82 3kqz n TYR 493 Cb 0.17 -0.22 -0.02 0.00 -0.02 0.00 0.00 39.34 39.25 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -1.77 1.83 -0.05 7.72 3.41 -0.80 -4.84 113.62 119.12 3kqz n SER 494 Ca -0.01 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3kqz n SER 494 Cb 0.32 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.32 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -4.59 0.00 0.00 1.04 4.77 -0.73 -5.10 117.00 112.39 3kqz n LEU 495 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3kqz n LEU 495 Cb 0.31 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3kqz n LEU 495 CO 0.12 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3kqz n GLY 496 N 2.16 -0.66 0.66 -0.72 0.00 -0.48 -4.32 105.19 101.83 3kqz n GLY 496 Ca -0.18 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.29 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.04 2.61 -2.24 -1.26 -4.26 114.28 109.10 3kqz n THR 497 Ca 0.00 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 3kqz n THR 497 Cb 0.00 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3kqz n THR 497 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kqz n SER 498 N 0.62 3.32 -4.61 3.42 2.88 -1.26 -4.19 113.62 113.79 3kqz n SER 498 Ca 0.17 -0.03 -0.34 0.00 -1.33 0.00 0.00 58.87 57.33 3kqz n SER 498 Cb 0.45 -0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.69 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kqz s TYR 499 N -2.14 3.18 0.85 0.66 4.12 -1.26 -4.59 117.35 118.17 3kqz s TYR 499 Ca -0.10 -0.00 -0.12 0.00 0.02 0.00 0.00 57.07 56.87 3kqz s TYR 499 Cb 0.03 -2.00 0.10 0.00 -1.52 0.00 0.00 41.96 38.57 3kqz s TYR 499 CO 0.16 0.16 1.12 0.00 0.02 0.00 0.00 175.55 177.02 3kqz s ALA 500 N 0.14 2.09 0.07 3.71 0.00 -0.12 -4.55 121.76 123.10 3kqz s ALA 500 Ca 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3kqz s ALA 500 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3kqz s ALA 500 CO 0.01 -1.95 -0.08 0.20 0.00 0.00 0.00 175.76 173.95 3kqz s GLY 501 N -4.03 1.79 -0.03 0.00 0.00 -1.18 -0.71 107.32 103.15 3kqz s GLY 501 Ca 0.62 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 44.26 3kqz s GLY 501 CO 0.53 -1.08 -0.21 0.54 0.00 0.00 0.00 173.10 172.89 3kqz s VAL 502 N -1.14 1.66 0.07 1.40 0.11 0.15 -0.80 120.40 121.84 3kqz s VAL 502 Ca 0.20 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.44 3kqz s VAL 502 Cb -0.11 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 3kqz s VAL 502 CO 0.12 0.47 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.82 3kqz s PHE 503 N -0.33 1.58 0.03 1.54 0.08 0.12 -0.65 117.98 120.35 3kqz s PHE 503 Ca 0.04 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.54 3kqz s PHE 503 Cb -0.10 -0.90 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3kqz s PHE 503 CO 0.00 0.12 0.68 0.41 -0.10 0.00 0.00 175.22 176.33 3kqz n GLY 504 N 1.47 0.58 1.22 4.36 0.00 -1.26 0.11 105.19 111.67 3kqz n GLY 504 Ca -0.19 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 44.94 3kqz n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqz n ASN 505 N -0.79 3.91 -3.67 1.61 0.23 -0.68 -4.78 115.26 111.09 3kqz n ASN 505 Ca 0.01 -2.14 -0.10 0.00 -0.53 0.00 0.00 54.58 51.82 3kqz n ASN 505 Cb 0.33 -0.45 -0.11 0.00 -2.08 0.00 0.00 39.78 37.47 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.02 -0.09 0.19 0.53 3.84 -1.26 -4.88 114.94 112.25 3kqz s ASN 506 Ca 0.43 0.83 -0.09 0.00 0.21 0.00 0.00 52.86 54.25 3kqz s ASN 506 Cb 0.24 1.03 0.08 0.00 -0.55 0.00 0.00 41.25 42.06 3kqz s ASN 506 CO 0.26 -0.23 1.67 -0.08 -2.79 0.00 0.00 177.10 175.94 3kqz h GLU 507 N 8.04 1.09 -0.11 0.43 4.81 -1.95 -1.97 114.58 124.91 3kqz h GLU 507 Ca -0.19 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kqz h GLU 507 Cb 1.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3kqz h GLU 507 CO 0.16 1.02 0.05 1.05 -0.73 0.00 0.00 179.01 180.56 3kqz h GLU 508 N 1.01 0.17 -0.76 1.92 9.09 -1.99 -0.25 114.58 123.77 3kqz h GLU 508 Ca 0.19 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.62 3kqz h GLU 508 Cb 0.48 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.50 3kqz h GLU 508 CO 0.02 0.24 0.47 1.25 0.05 0.00 0.00 179.01 181.04 3kqz h LEU 509 N 0.05 0.76 -0.92 3.06 5.85 -1.97 -0.45 115.31 121.70 3kqz h LEU 509 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kqz h LEU 509 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kqz h LEU 509 CO -0.00 0.51 0.28 0.40 -0.34 0.00 0.00 178.44 179.29 3kqz h ILE 510 N 0.90 1.24 -0.31 4.05 1.08 -1.04 0.28 117.51 123.72 3kqz h ILE 510 Ca 0.31 -0.78 -0.09 0.00 -0.39 0.00 0.00 64.86 63.91 3kqz h ILE 510 Cb 0.06 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3kqz h ILE 510 CO -0.13 0.31 -0.20 0.78 -0.69 0.00 0.00 178.15 178.23 3kqz h ASN 511 N 1.04 0.56 -0.34 1.72 2.35 -0.14 0.19 115.58 120.96 3kqz h ASN 511 Ca 0.24 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3kqz h ASN 511 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kqz h ASN 511 CO -0.02 0.77 -0.10 0.11 -1.65 0.00 0.00 177.43 176.54 3kqz h LYS 512 N 0.51 0.66 -0.42 0.81 1.57 -0.71 0.30 116.57 119.29 3kqz h LYS 512 Ca 0.08 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3kqz h LYS 512 Cb 0.62 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3kqz h LYS 512 CO 0.04 0.84 0.17 0.82 -0.57 0.00 0.00 179.45 180.76 3kqz h ILE 513 N 0.44 0.91 -0.42 1.86 1.08 -0.60 0.97 117.51 121.75 3kqz h ILE 513 Ca 0.08 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3kqz h ILE 513 Cb 0.61 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3kqz h ILE 513 CO 0.04 0.06 0.24 -0.07 -0.69 0.00 0.00 178.15 177.73 3kqz h LEU 514 N 0.36 0.52 -0.46 1.44 3.38 -0.34 0.32 115.31 120.53 3kqz h LEU 514 Ca 0.19 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3kqz h LEU 514 Cb 0.15 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3kqz h LEU 514 CO -0.17 0.45 -0.10 -0.61 0.09 0.00 0.00 178.44 178.10 3kqz h GLN 515 N 0.55 0.01 0.00 1.13 5.75 -0.22 -0.52 115.11 121.82 3kqz h GLN 515 Ca 0.15 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3kqz h GLN 515 Cb 0.04 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3kqz h GLN 515 CO -0.03 0.01 -0.08 0.77 -2.65 0.00 0.00 178.83 176.85 3kqz h SER 516 N 0.01 0.00 0.20 -0.69 0.02 -0.00 -0.02 113.55 113.06 3kqz h SER 516 Ca 0.22 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 3kqz h SER 516 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kqz h SER 516 CO -0.46 0.08 -0.54 -1.28 -1.14 0.00 0.00 176.83 173.49 3kqz h SER 517 N 0.00 0.41 0.13 3.07 0.87 0.12 -0.76 113.55 117.39 3kqz h SER 517 Ca -0.00 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.17 3kqz h SER 517 Cb 0.49 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3kqz h SER 517 CO 0.01 0.88 -0.65 0.11 -0.53 0.00 0.00 176.83 176.65 3kqz h LYS 518 N 0.29 0.49 0.00 2.24 1.57 0.04 -1.91 116.57 119.29 3kqz h LYS 518 Ca 0.01 -0.36 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 3kqz h LYS 518 Cb 1.05 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 3kqz h LYS 518 CO 0.09 0.98 -1.71 0.25 -0.57 0.00 0.00 179.45 178.48 3kqz n THR 519 N -3.90 1.60 0.64 -0.16 -2.24 -0.76 -3.45 114.28 106.01 3kqz n THR 519 Ca -0.04 -0.79 0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3kqz n THR 519 Cb 0.66 -1.02 0.44 0.00 -2.10 0.00 0.00 70.33 68.31 3kqz n THR 519 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kqz n SER 520 N -3.04 0.67 -2.24 3.42 3.41 -0.30 -4.86 113.62 110.69 3kqz n SER 520 Ca -0.17 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 58.87 3kqz n SER 520 Cb 1.05 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3kqz n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqz n ASN 521 N -2.14 -4.46 -4.36 4.04 3.02 -0.73 -4.80 115.26 105.83 3kqz n ASN 521 Ca 0.05 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.35 3kqz n ASN 521 Cb 0.39 -3.81 -0.09 0.00 -0.61 0.00 0.00 39.78 35.66 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqz s GLU 522 N -4.71 2.86 0.04 3.52 2.02 -1.16 -4.95 118.70 116.32 3kqz s GLU 522 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 3kqz s GLU 522 Cb 0.00 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3kqz s GLU 522 CO 0.00 -0.94 1.00 -1.25 0.02 0.00 0.00 175.26 174.09 3kqz s PRO 523 N 1.58 4.59 0.11 0.39 0.04 -1.26 -4.50 135.00 135.94 3kqz s PRO 523 Ca 0.04 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.62 3kqz s PRO 523 Cb -0.23 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3kqz s PRO 523 CO 0.06 0.00 -0.18 0.08 0.04 0.00 0.00 177.00 177.00 3kqz s VAL 524 N 0.72 1.56 -0.01 -0.36 1.01 -1.26 -0.95 120.40 121.11 3kqz s VAL 524 Ca 0.51 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3kqz s VAL 524 Cb -0.23 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3kqz s VAL 524 CO 0.29 -0.16 -0.08 0.86 0.00 0.00 0.00 175.10 176.00 3kqz s TRP 525 N -1.40 0.76 -0.03 5.22 -0.11 0.11 -4.89 118.94 118.60 3kqz s TRP 525 Ca 0.06 -0.15 -0.30 0.00 1.22 0.00 0.00 56.10 56.94 3kqz s TRP 525 Cb -0.09 -0.49 -0.03 0.00 -1.50 0.00 0.00 33.47 31.36 3kqz s TRP 525 CO 0.04 -0.02 0.97 -0.46 -4.62 0.00 0.00 176.95 172.86 3kqz s TRP 526 N -0.16 3.62 0.09 5.86 -0.00 -1.26 0.30 118.94 127.39 3kqz s TRP 526 Ca 0.03 1.65 0.10 0.00 -0.00 0.00 0.00 56.10 57.87 3kqz s TRP 526 Cb -0.04 -3.12 -0.03 0.00 -0.00 0.00 0.00 33.47 30.28 3kqz s TRP 526 CO -0.00 -0.06 -0.25 -0.51 -0.00 0.00 0.00 176.95 176.13 3kqz s LEU 527 N 1.25 2.26 0.40 5.86 1.43 0.18 -4.87 118.68 125.18 3kqz s LEU 527 Ca 0.50 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 3kqz s LEU 527 Cb -0.20 -1.13 -0.07 0.00 0.03 0.00 0.00 46.19 44.81 3kqz s LEU 527 CO 0.25 0.17 0.79 -2.16 0.23 0.00 0.00 176.35 175.63 3kqz s PRO 528 N -1.73 3.85 -0.51 1.29 0.04 -1.26 -4.36 135.00 132.32 3kqz s PRO 528 Ca 0.11 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.57 3kqz s PRO 528 Cb -0.10 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.17 3kqz s PRO 528 CO 0.04 -0.02 0.47 0.42 0.04 0.00 0.00 177.00 177.95 3kqz s ILE 529 N -2.30 5.20 -0.41 0.56 1.01 -1.26 -4.80 121.20 119.19 3kqz s ILE 529 Ca 0.53 -1.27 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 3kqz s ILE 529 Cb -0.10 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.13 3kqz s ILE 529 CO 0.28 -0.76 0.84 -0.63 0.00 0.00 0.00 174.94 174.67 3kqz s ILE 530 N 1.69 4.63 0.17 2.92 1.01 -1.26 -4.94 121.20 125.41 3kqz s ILE 530 Ca 0.04 0.76 0.12 0.00 0.00 0.00 0.00 60.65 61.57 3kqz s ILE 530 Cb -0.27 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 3kqz s ILE 530 CO 0.05 -0.62 1.53 0.78 0.00 0.00 0.00 174.94 176.68 3kqz h ASN 531 N 8.76 0.00 -0.33 3.58 2.35 -1.99 -2.60 115.58 125.34 3kqz h ASN 531 Ca -0.24 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.60 3kqz h ASN 531 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3kqz h ASN 531 CO 0.96 0.66 0.51 -0.08 -1.65 0.00 0.00 177.43 177.83 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.05 0.15 114.58 118.30 3kqz h GLU 532 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kqz h GLU 532 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3kqz h GLU 532 CO 0.09 0.00 -0.35 0.66 -0.73 0.00 0.00 179.01 178.67 3kqz n TYR 533 N -3.37 0.47 -0.23 0.92 0.53 -0.98 -4.12 117.16 110.37 3kqz n TYR 533 Ca 0.06 0.14 0.20 0.00 -1.02 0.00 0.00 57.90 57.27 3kqz n TYR 533 Cb 0.66 -0.63 0.54 0.00 -1.03 0.00 0.00 39.34 38.87 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqz h ARG 534 N 0.00 0.35 0.00 -0.72 9.65 -0.85 -0.96 114.38 121.85 3kqz h ARG 534 Ca 0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3kqz h ARG 534 Cb 0.66 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3kqz h ARG 534 CO 0.00 0.23 -0.02 0.00 2.80 0.00 0.00 179.97 182.98 3kqz h ALA 535 N 1.61 1.25 0.00 2.80 0.00 -1.76 -1.01 119.26 122.14 3kqz h ALA 535 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kqz h ALA 535 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kqz h ALA 535 CO -0.16 0.02 0.00 1.79 0.00 0.00 0.00 179.25 180.91 3kqz h THR 536 N 0.00 0.00 0.00 0.00 1.35 -1.48 -1.48 112.91 111.31 3kqz h THR 536 Ca -0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3kqz h THR 536 Cb 0.09 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3kqz h THR 536 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kqz n LEU 537 N -2.49 0.00 -4.58 3.87 4.77 -0.38 -4.56 117.00 113.64 3kqz n LEU 537 Ca 0.05 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 3kqz n LEU 537 Cb 0.42 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3kqz n LEU 537 CO 0.30 -0.02 1.45 0.20 -1.33 0.00 0.00 177.39 177.99 3kqz s ASN 538 N -2.47 5.79 0.29 -1.43 0.01 -0.56 0.05 114.94 116.63 3kqz s ASN 538 Ca 0.30 0.64 -0.24 0.00 -0.71 0.00 0.00 52.86 52.84 3kqz s ASN 538 Cb 0.19 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 3kqz s ASN 538 CO 0.41 -1.91 0.88 -0.55 -1.51 0.00 0.00 177.10 174.43 3kqz s SER 539 N 6.08 7.27 0.24 -1.22 0.15 -1.26 -4.83 113.70 120.12 3kqz s SER 539 Ca 0.66 1.72 -0.07 0.00 0.70 0.00 0.00 55.95 58.97 3kqz s SER 539 Cb -0.15 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.85 3kqz s SER 539 CO 0.27 -0.03 1.88 0.50 1.20 0.00 0.00 173.24 177.06 3kqz h LYS 540 N 3.29 1.28 0.00 5.44 1.63 -1.97 -3.39 116.57 122.86 3kqz h LYS 540 Ca -0.47 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.13 3kqz h LYS 540 Cb 1.19 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 3kqz h LYS 540 CO 0.65 0.90 -1.29 0.66 -3.45 0.00 0.00 179.45 176.92 3kqz n TYR 541 N -4.35 0.00 -2.66 1.91 4.01 -1.26 -5.03 117.16 109.78 3kqz n TYR 541 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.62 3kqz n TYR 541 Cb 0.07 -0.20 0.09 0.00 -0.31 0.00 0.00 39.34 38.99 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.10 3.88 0.13 -0.72 0.00 -1.26 -5.02 121.76 116.67 3kqz s ALA 542 Ca -0.07 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.08 3kqz s ALA 542 Cb 0.02 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.13 3kqz s ALA 542 CO 0.11 -1.24 1.42 -0.44 0.00 0.00 0.00 175.76 175.62 3kqz h ASP 543 N -0.31 0.95 -5.00 0.00 3.32 -1.74 -3.39 116.42 110.26 3kqz h ASP 543 Ca -0.37 -0.51 -0.14 0.00 0.02 0.00 0.00 57.03 56.04 3kqz h ASP 543 Cb 1.28 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 3kqz h ASP 543 CO 0.43 1.30 -0.49 -0.51 -1.72 0.00 0.00 179.24 178.25 3kqz s ILE 544 N -4.12 0.09 0.20 0.35 2.07 -0.90 -4.54 121.20 114.35 3kqz s ILE 544 Ca -0.10 -0.74 -0.28 0.00 -1.41 0.00 0.00 60.65 58.12 3kqz s ILE 544 Cb 0.10 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 3kqz s ILE 544 CO 0.89 -0.41 0.86 0.20 -1.91 0.00 0.00 174.94 174.57 3kqz s ASN 545 N -1.49 7.52 0.17 4.50 0.01 0.11 -1.65 114.94 124.11 3kqz s ASN 545 Ca -0.14 1.80 -0.13 0.00 -0.71 0.00 0.00 52.86 53.69 3kqz s ASN 545 Cb -0.07 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.11 3kqz s ASN 545 CO 0.01 0.17 1.76 -0.61 -1.51 0.00 0.00 177.10 176.92 3kqz h GLN 546 N 4.31 0.83 -5.45 -0.60 4.15 -1.79 -3.46 115.11 113.11 3kqz h GLN 546 Ca -0.46 -0.12 -0.48 0.00 0.77 0.00 0.00 58.65 58.37 3kqz h GLN 546 Cb 1.20 -0.15 -0.14 0.00 0.21 0.00 0.00 27.48 28.60 3kqz h GLN 546 CO 0.67 0.66 -0.67 0.96 -1.93 0.00 0.00 178.83 178.53 3kqz s ILE 547 N -5.73 1.55 0.55 2.39 -4.36 -1.26 -4.90 121.20 109.44 3kqz s ILE 547 Ca -0.13 -2.11 -0.14 0.00 -0.26 0.00 0.00 60.65 58.01 3kqz s ILE 547 Cb 0.13 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 3kqz s ILE 547 CO 0.78 -0.31 0.99 -0.55 0.24 0.00 0.00 174.94 176.09 3kqz s SER 548 N -3.42 6.47 -0.01 4.36 0.15 -1.26 -4.76 113.70 115.22 3kqz s SER 548 Ca 0.29 1.49 0.11 0.00 0.70 0.00 0.00 55.95 58.54 3kqz s SER 548 Cb 0.04 -2.48 -0.17 0.00 -1.71 0.00 0.00 66.02 61.70 3kqz s SER 548 CO 0.11 -0.68 0.26 -1.54 1.20 0.00 0.00 173.24 172.59 3kqz n SER 549 N -2.01 2.34 -0.03 5.45 3.41 -1.26 -4.83 113.62 116.69 3kqz n SER 549 Ca 0.06 -0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.60 3kqz n SER 549 Cb 0.54 1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 65.95 3kqz n SER 549 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kqz h SER 550 N 0.00 0.00 -2.45 4.04 4.64 -1.95 -3.48 113.55 114.35 3kqz h SER 550 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3kqz h SER 550 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3kqz h SER 550 CO 0.00 0.32 1.24 -0.69 -0.87 0.00 0.00 176.83 176.83 3kqz s VAL 551 N -1.51 3.32 -1.54 0.95 1.01 -1.26 -4.86 120.40 116.51 3kqz s VAL 551 Ca -0.06 0.37 0.31 0.00 0.00 0.00 0.00 61.98 62.60 3kqz s VAL 551 Cb 0.01 -3.31 0.60 0.00 0.00 0.00 0.00 36.38 33.68 3kqz s VAL 551 CO 0.08 -0.11 2.09 0.29 0.00 0.00 0.00 175.10 177.45 3kqz n LYS 552 N 7.81 0.54 -1.28 2.72 5.02 -1.26 -4.36 118.16 127.35 3kqz n LYS 552 Ca 0.21 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.14 3kqz n LYS 552 Cb 0.44 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqz n ALA 553 N -1.23 7.48 -0.30 7.82 0.00 -1.26 -4.76 120.51 128.26 3kqz n ALA 553 Ca 0.16 -3.38 0.14 0.00 0.00 0.00 0.00 53.44 50.37 3kqz n ALA 553 Cb 0.22 -3.28 0.27 0.00 0.00 0.00 0.00 19.45 16.66 3kqz n ALA 553 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kqz n SER 554 N 3.48 -0.08 0.06 0.00 7.64 -1.26 -1.42 113.62 122.03 3kqz n SER 554 Ca 0.76 1.50 -0.10 0.00 1.01 0.00 0.00 58.87 62.03 3kqz n SER 554 Cb 0.29 -0.56 0.01 0.00 -1.01 0.00 0.00 64.21 62.95 3kqz n SER 554 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3kqz h SER 555 N 0.00 0.48 -0.20 6.43 0.02 -1.94 -0.22 113.55 118.11 3kqz h SER 555 Ca 0.55 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3kqz h SER 555 Cb 1.15 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3kqz h SER 555 CO -0.82 1.09 -0.02 0.40 -1.14 0.00 0.00 176.83 176.34 3kqz h ILE 556 N 0.25 1.27 -0.27 3.27 2.04 -1.63 -2.47 117.51 119.98 3kqz h ILE 556 Ca -0.04 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.91 3kqz h ILE 556 Cb 1.38 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 3kqz h ILE 556 CO 0.13 0.29 0.07 0.58 0.00 0.00 0.00 178.15 179.22 3kqz h VAL 557 N 0.11 0.89 -0.84 1.67 2.07 -1.00 0.12 116.25 119.28 3kqz h VAL 557 Ca 0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kqz h VAL 557 Cb 0.44 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3kqz h VAL 557 CO 0.01 0.03 0.48 0.00 0.02 0.00 0.00 177.57 178.11 3kqz h ALA 558 N 1.19 1.07 -0.28 1.67 0.00 -1.09 0.36 119.26 122.17 3kqz h ALA 558 Ca 0.12 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3kqz h ALA 558 Cb 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3kqz h ALA 558 CO -0.15 0.56 -0.10 0.77 0.00 0.00 0.00 179.25 180.33 3kqz h SER 559 N 1.16 -0.35 -0.98 0.00 0.02 -1.07 -0.44 113.55 111.88 3kqz h SER 559 Ca 0.30 0.10 0.16 0.00 -0.84 0.00 0.00 61.79 61.50 3kqz h SER 559 Cb -0.00 0.21 -0.10 0.00 0.14 0.00 0.00 62.40 62.65 3kqz h SER 559 CO -0.05 -0.13 0.59 -0.07 -1.14 0.00 0.00 176.83 176.03 3kqz h LEU 560 N -0.05 0.80 0.40 5.07 3.38 0.60 0.12 115.31 125.64 3kqz h LEU 560 Ca 0.14 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3kqz h LEU 560 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kqz h LEU 560 CO -0.31 0.34 -0.19 0.15 0.09 0.00 0.00 178.44 178.52 3kqz h PHE 561 N 0.83 -0.49 -0.99 1.13 3.04 -0.47 -2.78 116.94 117.20 3kqz h PHE 561 Ca 0.54 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.62 3kqz h PHE 561 Cb 0.72 0.16 -0.09 0.00 2.56 0.00 0.00 35.95 39.31 3kqz h PHE 561 CO -0.02 -0.22 0.62 -0.07 -2.02 0.00 0.00 178.31 176.60 3kqz h LEU 562 N -0.69 0.84 -1.70 0.59 3.38 -0.42 -2.01 115.31 115.30 3kqz h LEU 562 Ca -0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kqz h LEU 562 Cb 0.49 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kqz h LEU 562 CO 0.09 0.40 0.21 0.50 0.09 0.00 0.00 178.44 179.73 3kqz h LYS 563 N 0.88 0.40 0.00 1.13 3.64 -0.50 0.12 116.57 122.24 3kqz h LYS 563 Ca 0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3kqz h LYS 563 Cb 0.65 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3kqz h LYS 563 CO -0.29 0.26 0.00 0.93 -2.27 0.00 0.00 179.45 178.08 3kqz h GLU 564 N 0.41 0.00 -0.64 1.90 4.39 -1.22 -2.78 114.58 116.64 3kqz h GLU 564 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3kqz h GLU 564 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3kqz h GLU 564 CO -0.03 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.01 3kqz n PHE 565 N -3.05 0.86 -3.87 4.33 3.01 0.43 -4.75 117.46 114.42 3kqz n PHE 565 Ca -0.03 -0.49 -0.28 0.00 1.01 0.00 0.00 57.45 57.66 3kqz n PHE 565 Cb 0.07 -0.01 -0.16 0.00 -0.01 0.00 0.00 39.48 39.37 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.01 1.05 -0.10 -4.37 1.01 -1.05 -4.01 120.40 111.93 3kqz s VAL 566 Ca 0.43 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3kqz s VAL 566 Cb 0.23 -1.30 -0.24 0.00 0.00 0.00 0.00 36.38 35.07 3kqz s VAL 566 CO 0.30 0.03 0.46 0.00 0.00 0.00 0.00 175.10 175.89 3kqz n GLN 567 N 4.88 0.67 -2.71 2.72 6.02 -1.26 -4.75 117.38 122.95 3kqz n GLN 567 Ca -0.11 0.23 -0.01 0.00 -0.01 0.00 0.00 57.00 57.10 3kqz n GLN 567 Cb 0.47 -1.72 0.09 0.00 1.02 0.00 0.00 30.24 30.10 3kqz n GLN 567 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqz n ASN 568 N -3.08 -0.05 -3.78 1.08 3.02 -1.26 -5.11 115.26 106.09 3kqz n ASN 568 Ca -0.24 -2.12 -0.13 0.00 -0.03 0.00 0.00 54.58 52.06 3kqz n ASN 568 Cb 1.07 0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 40.27 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqz s THR 569 N -1.67 0.02 0.17 3.41 2.01 -1.26 -5.10 115.64 113.22 3kqz s THR 569 Ca 0.17 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 3kqz s THR 569 Cb 0.38 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 72.35 3kqz s THR 569 CO -0.09 -0.08 1.46 0.00 -0.69 0.00 0.00 174.62 175.22 3kqz s ALA 570 N -0.25 3.67 -0.09 7.40 0.00 -1.22 -4.90 121.76 126.36 3kqz s ALA 570 Ca -0.04 1.26 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 3kqz s ALA 570 Cb -0.03 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.55 3kqz s ALA 570 CO 0.01 -0.70 0.23 -0.46 0.00 0.00 0.00 175.76 174.85 3kqz s TRP 571 N 0.82 -0.28 0.14 0.00 -0.00 -1.26 -0.47 118.94 117.90 3kqz s TRP 571 Ca 0.65 0.67 0.06 0.00 -0.00 0.00 0.00 56.10 57.48 3kqz s TRP 571 Cb -0.40 0.06 -0.04 0.00 -0.00 0.00 0.00 33.47 33.09 3kqz s TRP 571 CO 0.34 -0.16 -0.13 0.00 -0.00 0.00 0.00 176.95 177.00 3kqz s ALA 572 N 0.60 1.57 -0.04 5.86 0.00 0.03 -1.69 121.76 128.09 3kqz s ALA 572 Ca -0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 3kqz s ALA 572 Cb -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3kqz s ALA 572 CO -0.03 0.03 0.01 -1.58 0.00 0.00 0.00 175.76 174.19 3kqz s HIS 573 N -2.69 0.35 -0.33 0.00 5.04 0.29 -0.80 115.29 117.15 3kqz s HIS 573 Ca 0.14 0.01 -0.07 0.00 -1.54 0.00 0.00 55.06 53.60 3kqz s HIS 573 Cb -0.02 -0.53 0.03 0.00 0.04 0.00 0.00 32.58 32.10 3kqz s HIS 573 CO 0.03 -0.20 0.11 0.42 -2.34 0.00 0.00 174.74 172.76 3kqz s ILE 574 N 1.54 3.98 -0.42 0.89 1.01 0.69 0.12 121.20 129.00 3kqz s ILE 574 Ca -0.03 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 3kqz s ILE 574 Cb -0.13 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.19 3kqz s ILE 574 CO -0.03 -0.08 0.80 -0.62 0.00 0.00 0.00 174.94 175.01 3kqz s ASP 575 N 1.47 6.47 -0.15 3.58 -1.08 0.02 -1.59 116.67 125.39 3kqz s ASP 575 Ca 0.01 0.07 0.16 0.00 -0.52 0.00 0.00 52.55 52.26 3kqz s ASP 575 Cb -0.18 -2.40 0.58 0.00 -1.46 0.00 0.00 42.92 39.46 3kqz s ASP 575 CO 0.03 -0.87 1.49 2.30 0.52 0.00 0.00 175.17 178.64 3kqz n ILE 576 N 6.06 2.06 -0.28 4.11 -5.35 0.60 -3.13 119.36 123.43 3kqz n ILE 576 Ca 0.03 -1.52 0.10 0.00 -0.27 0.00 0.00 62.75 61.09 3kqz n ILE 576 Cb 0.48 -0.05 0.24 0.00 -1.74 0.00 0.00 39.64 38.57 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 2.64 1.10 0.00 -1.28 0.00 -1.83 -2.05 119.26 117.84 3kqz h ALA 577 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 577 Cb 1.41 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3kqz h ALA 577 CO 0.23 -0.44 -0.72 0.78 0.00 0.00 0.00 179.25 179.10 3kqz h GLY 578 N 0.19 0.00 -0.16 0.00 0.00 -1.82 -3.37 103.07 97.91 3kqz h GLY 578 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3kqz h GLY 578 CO -0.64 0.00 -0.73 3.33 0.00 0.00 0.00 176.54 178.50 3kqz n VAL 579 N -2.98 0.00 -0.03 4.60 0.24 -0.82 -4.07 118.33 115.28 3kqz n VAL 579 Ca -0.01 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 3kqz n VAL 579 Cb 0.66 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.38 0.96 -3.00 -1.34 0.87 -1.60 -3.42 113.55 106.40 3kqz h SER 580 Ca 0.00 -0.62 -0.63 0.00 -1.23 0.00 0.00 61.79 59.31 3kqz h SER 580 Cb 0.44 -0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.03 3kqz h SER 580 CO 0.00 1.43 -0.41 0.86 -0.53 0.00 0.00 176.83 178.17 3kqz s TRP 581 N -3.77 3.54 -0.61 2.24 -0.11 -1.26 -1.37 118.94 117.60 3kqz s TRP 581 Ca -0.10 0.55 -0.21 0.00 1.22 0.00 0.00 56.10 57.56 3kqz s TRP 581 Cb 0.09 -2.13 0.08 0.00 -1.50 0.00 0.00 33.47 30.00 3kqz s TRP 581 CO 0.91 0.50 0.82 1.21 -4.62 0.00 0.00 176.95 175.77 3kqz s ASN 582 N -0.34 6.20 0.13 5.86 3.84 0.64 -4.88 114.94 126.39 3kqz s ASN 582 Ca 0.15 -1.09 -0.15 0.00 0.21 0.00 0.00 52.86 51.98 3kqz s ASN 582 Cb -0.13 -2.36 -0.01 0.00 -0.55 0.00 0.00 41.25 38.21 3kqz s ASN 582 CO 0.04 -1.23 1.63 -0.26 -2.79 0.00 0.00 177.10 174.48 3kqz h PHE 583 N 9.33 0.71 -0.77 0.43 -1.00 -1.97 0.33 116.94 124.01 3kqz h PHE 583 Ca -0.29 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.38 3kqz h PHE 583 Cb 1.08 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.40 3kqz h PHE 583 CO 0.89 0.68 0.38 0.87 -1.61 0.00 0.00 178.31 179.52 3kqz h LYS 584 N 0.54 1.11 0.00 1.51 1.57 -1.95 -2.36 116.57 116.98 3kqz h LYS 584 Ca 0.13 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 584 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kqz h LYS 584 CO 0.00 0.85 -0.02 0.00 -0.57 0.00 0.00 179.45 179.72 3kqz h ALA 585 N 1.19 0.99 -4.69 3.86 0.00 -1.96 -3.48 119.26 115.18 3kqz h ALA 585 Ca 0.27 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 3kqz h ALA 585 Cb 0.10 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 585 CO -0.04 0.02 -0.53 0.54 0.00 0.00 0.00 179.25 179.24 3kqz n ARG 586 N -3.10 -5.76 -3.83 0.00 1.74 0.11 -5.02 116.66 100.80 3kqz n ARG 586 Ca 0.03 0.63 -0.09 0.00 -0.77 0.00 0.00 57.85 57.65 3kqz n ARG 586 Cb 0.50 -5.06 -0.05 0.00 -1.02 0.00 0.00 32.46 26.83 3kqz n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqz s LYS 587 N -5.73 1.37 0.71 5.56 -2.85 -1.05 -5.02 119.74 112.74 3kqz s LYS 587 Ca 0.32 -0.99 -0.14 0.00 -1.00 0.00 0.00 55.97 54.17 3kqz s LYS 587 Cb -0.14 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3kqz s LYS 587 CO 0.55 -0.57 1.13 -2.14 0.10 0.00 0.00 175.35 174.42 3kqz s PRO 588 N -3.91 2.44 0.08 1.78 0.02 -1.26 -0.26 135.00 133.87 3kqz s PRO 588 Ca 0.13 1.43 0.21 0.00 0.02 0.00 0.00 61.00 62.78 3kqz s PRO 588 Cb -0.00 -1.90 -0.15 0.00 0.02 0.00 0.00 34.50 32.47 3kqz s PRO 588 CO -0.00 -1.54 0.76 1.63 -0.33 0.00 0.00 177.00 177.52 3kqz n LYS 589 N -2.83 0.63 -3.45 5.54 5.02 -0.47 -4.65 118.16 117.95 3kqz n LYS 589 Ca 0.11 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 3kqz n LYS 589 Cb 0.52 -1.71 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.29 -0.39 3.74 0.72 0.00 -1.26 -4.90 105.19 104.38 3kqz n GLY 590 Ca -0.06 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3kqz n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqz s PHE 591 N -3.34 3.39 0.00 1.61 5.36 -1.26 -3.67 117.98 120.07 3kqz s PHE 591 Ca 0.18 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 3kqz s PHE 591 Cb -0.08 -3.47 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3kqz s PHE 591 CO 0.71 -1.36 0.00 0.41 -1.46 0.00 0.00 175.22 173.52 3kqz n GLY 592 N 2.25 1.57 0.48 13.12 0.00 -1.26 -4.67 105.19 116.68 3kqz n GLY 592 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3kqz n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 593 N 0.00 0.04 -0.97 1.61 2.07 -1.76 0.60 116.25 117.84 3kqz h VAL 593 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kqz h VAL 593 Cb 0.00 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.76 3kqz h VAL 593 CO 0.00 0.00 0.64 0.03 0.02 0.00 0.00 177.57 178.26 3kqz h ARG 594 N -0.86 1.29 0.63 1.57 3.08 -1.88 -1.49 114.38 116.71 3kqz h ARG 594 Ca -0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3kqz h ARG 594 Cb 0.80 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kqz h ARG 594 CO -0.17 0.86 -0.39 1.25 -1.07 0.00 0.00 179.97 180.45 3kqz h LEU 595 N 1.32 -0.98 -1.40 3.04 5.85 -1.68 0.45 115.31 121.92 3kqz h LEU 595 Ca 0.36 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.18 3kqz h LEU 595 Cb -0.15 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3kqz h LEU 595 CO -0.08 -0.60 0.45 -0.07 -0.34 0.00 0.00 178.44 177.80 3kqz h LEU 596 N -0.96 0.66 0.00 2.25 3.38 0.33 0.25 115.31 121.22 3kqz h LEU 596 Ca -0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kqz h LEU 596 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3kqz h LEU 596 CO 0.08 0.44 -0.00 0.74 0.09 0.00 0.00 178.44 179.78 3kqz h THR 597 N 0.75 1.55 -1.02 0.22 2.02 -0.68 0.23 112.91 115.98 3kqz h THR 597 Ca 0.29 -1.65 0.25 0.00 0.77 0.00 0.00 66.41 66.07 3kqz h THR 597 Cb 0.19 2.67 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 3kqz h THR 597 CO -0.09 0.43 0.65 -0.33 0.37 0.00 0.00 175.52 176.54 3kqz h GLU 598 N -0.71 0.45 -0.21 6.66 4.39 0.20 0.11 114.58 125.47 3kqz h GLU 598 Ca -0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3kqz h GLU 598 Cb 0.70 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3kqz h GLU 598 CO 0.00 0.30 0.06 0.35 -1.16 0.00 0.00 179.01 178.56 3kqz h PHE 599 N 0.46 0.36 -0.35 4.33 3.57 0.57 -2.74 116.94 123.13 3kqz h PHE 599 Ca 0.59 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.92 3kqz h PHE 599 Cb 1.38 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 3kqz h PHE 599 CO -0.00 0.44 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.81 3kqz h VAL 600 N 0.17 1.28 0.00 1.41 -1.51 0.40 -2.72 116.25 115.28 3kqz h VAL 600 Ca 0.07 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 3kqz h VAL 600 Cb 0.26 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3kqz h VAL 600 CO -0.00 0.48 0.00 0.18 -1.23 0.00 0.00 177.57 177.00 3kqz n LEU 601 N -4.07 0.00 -0.07 4.19 4.32 0.25 -3.05 117.00 118.57 3kqz n LEU 601 Ca -0.01 0.13 -0.08 0.00 -0.02 0.00 0.00 56.01 56.03 3kqz n LEU 601 Cb 0.49 -0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 3kqz n LEU 601 CO 0.46 -0.08 -0.94 0.59 -1.22 0.00 0.00 177.39 176.20 3kqz n ASN 602 N -1.13 2.51 -0.76 -1.43 4.13 -1.04 -5.04 115.26 112.50 3kqz n ASN 602 Ca 0.08 -0.04 0.13 0.00 1.68 0.00 0.00 54.58 56.42 3kqz n ASN 602 Cb 0.07 0.24 0.28 0.00 -1.54 0.00 0.00 39.78 38.82 3kqz n ASN 602 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64