#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 4.55 -0.19 1.43 4.04 -1.26 -4.91 118.70 122.35 3kr5 s GLU 87 Ca 0.00 1.52 -0.29 0.00 0.04 0.00 0.00 54.97 56.24 3kr5 s GLU 87 Cb 0.00 -3.42 -0.02 0.00 0.02 0.00 0.00 34.13 30.72 3kr5 s GLU 87 CO 0.00 -0.06 1.34 0.08 -1.84 0.00 0.00 175.26 174.78 3kr5 s VAL 88 N 0.85 4.13 0.66 1.83 1.01 -1.26 -5.01 120.40 122.61 3kr5 s VAL 88 Ca 0.53 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 3kr5 s VAL 88 Cb -0.24 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3kr5 s VAL 88 CO 0.29 -0.22 1.24 -0.81 0.00 0.00 0.00 175.10 175.59 3kr5 n PRO 89 N 6.92 0.99 -4.01 2.72 -0.04 -1.26 -4.95 135.00 135.37 3kr5 n PRO 89 Ca 0.15 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.86 3kr5 n PRO 89 Cb 0.45 -2.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.29 3kr5 n PRO 89 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kr5 s GLN 90 N -3.37 0.23 0.02 0.54 -0.21 -1.26 -5.02 119.66 110.59 3kr5 s GLN 90 Ca 0.81 -0.07 -0.18 0.00 0.02 0.00 0.00 55.36 55.94 3kr5 s GLN 90 Cb -0.38 -0.25 -0.31 0.00 1.00 0.00 0.00 33.01 33.08 3kr5 s GLN 90 CO 0.42 0.03 1.02 0.28 -2.12 0.00 0.00 175.29 174.92 3kr5 h VAL 91 N 5.26 1.36 -3.84 1.09 2.07 -1.96 -3.47 116.25 116.76 3kr5 h VAL 91 Ca -0.29 -2.49 -0.34 0.00 0.82 0.00 0.00 66.70 64.41 3kr5 h VAL 91 Cb 1.19 2.90 -0.20 0.00 -1.52 0.00 0.00 31.29 33.66 3kr5 h VAL 91 CO 0.50 0.74 -0.75 0.68 0.02 0.00 0.00 177.57 178.76 3kr5 s VAL 92 N -2.78 0.90 0.62 2.57 -7.23 -1.26 -5.02 120.40 108.20 3kr5 s VAL 92 Ca -0.11 -1.42 0.32 0.00 -1.81 0.00 0.00 61.98 58.96 3kr5 s VAL 92 Cb 0.04 -1.11 0.36 0.00 0.56 0.00 0.00 36.38 36.23 3kr5 s VAL 92 CO 0.90 -0.42 2.08 0.77 -0.31 0.00 0.00 175.10 178.11 3kr5 h SER 93 N 3.97 0.00 1.14 4.85 4.64 -2.04 0.34 113.55 126.46 3kr5 h SER 93 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kr5 h SER 93 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kr5 h SER 93 CO 0.47 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 3kr5 n LEU 94 N -3.45 0.42 -4.75 5.97 4.77 -1.26 -4.82 117.00 113.89 3kr5 n LEU 94 Ca 0.01 0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 3kr5 n LEU 94 Cb 0.33 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3kr5 n LEU 94 CO 0.23 -0.16 1.20 -1.81 -1.33 0.00 0.00 177.39 175.52 3kr5 s ASP 95 N -3.79 6.45 0.45 -1.43 1.01 0.12 -4.94 116.67 114.55 3kr5 s ASP 95 Ca 0.11 2.87 -0.24 0.00 0.71 0.00 0.00 52.55 56.00 3kr5 s ASP 95 Cb 0.14 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 3kr5 s ASP 95 CO 0.52 -0.85 1.22 -2.16 0.21 0.00 0.00 175.17 174.11 3kr5 s PRO 96 N -0.51 3.77 0.00 8.23 0.04 -1.26 -4.95 135.00 140.32 3kr5 s PRO 96 Ca 0.62 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.63 3kr5 s PRO 96 Cb -0.46 -2.50 0.10 0.00 0.04 0.00 0.00 34.50 31.67 3kr5 s PRO 96 CO 0.47 -0.58 0.87 0.25 0.04 0.00 0.00 177.00 178.05 3kr5 n THR 97 N -0.34 0.40 -3.54 1.26 -2.24 -1.26 -4.82 114.28 103.75 3kr5 n THR 97 Ca 0.06 -0.70 -0.17 0.00 -2.27 0.00 0.00 64.05 60.97 3kr5 n THR 97 Cb 0.47 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 3kr5 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 98 N -0.71 -0.60 -0.39 3.42 1.04 -1.26 -4.60 113.70 110.60 3kr5 s SER 98 Ca 0.09 0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.81 3kr5 s SER 98 Cb 0.06 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.71 3kr5 s SER 98 CO 0.08 -0.63 1.41 -0.63 0.98 0.00 0.00 173.24 174.45 3kr5 s ILE 99 N -1.49 3.92 0.34 -1.02 1.01 -1.25 -4.90 121.20 117.82 3kr5 s ILE 99 Ca -0.10 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 3kr5 s ILE 99 Cb -0.01 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 3kr5 s ILE 99 CO 0.07 -0.71 1.36 -2.16 0.00 0.00 0.00 174.94 173.51 3kr5 s PRO 100 N 4.85 4.28 0.02 2.79 0.04 -1.26 -5.00 135.00 140.72 3kr5 s PRO 100 Ca 0.61 2.32 0.05 0.00 0.04 0.00 0.00 61.00 64.01 3kr5 s PRO 100 Cb -0.14 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 3kr5 s PRO 100 CO 0.31 -0.30 -0.14 0.42 0.04 0.00 0.00 177.00 177.34 3kr5 s ILE 101 N -1.05 1.11 -0.24 0.56 1.01 -1.26 -4.96 121.20 116.37 3kr5 s ILE 101 Ca 0.51 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3kr5 s ILE 101 Cb -0.42 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3kr5 s ILE 101 CO 0.55 0.15 0.00 -0.70 0.00 0.00 0.00 174.94 174.94 3kr5 s GLU 102 N -0.77 3.33 -0.26 2.79 2.12 -1.26 -4.94 118.70 119.71 3kr5 s GLU 102 Ca 0.03 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.60 3kr5 s GLU 102 Cb -0.07 -3.14 -0.12 0.00 0.26 0.00 0.00 34.13 31.07 3kr5 s GLU 102 CO 0.00 -0.26 -0.31 0.66 -0.54 0.00 0.00 175.26 174.81 3kr5 n TYR 103 N 4.82 0.00 -2.01 5.30 4.02 -1.26 -4.72 117.16 123.32 3kr5 n TYR 103 Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.30 3kr5 n TYR 103 Cb 0.50 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 3kr5 n TYR 103 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3kr5 n ASN 104 N -3.98 4.32 -4.82 7.72 3.02 -1.26 -4.95 115.26 115.31 3kr5 n ASN 104 Ca -0.50 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 50.80 3kr5 n ASN 104 Cb 0.89 -1.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.39 3kr5 n ASN 104 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kr5 s THR 105 N 2.54 4.29 0.30 3.41 -4.23 -1.26 -4.93 115.64 115.76 3kr5 s THR 105 Ca 0.46 1.27 0.05 0.00 -1.18 0.00 0.00 61.69 62.29 3kr5 s THR 105 Cb 0.11 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3kr5 s THR 105 CO -0.05 -0.46 1.78 -0.65 -0.54 0.00 0.00 174.62 174.70 3kr5 h PRO 106 N 1.34 0.74 -1.23 3.99 0.11 -1.99 0.35 132.00 135.31 3kr5 h PRO 106 Ca -0.48 -0.04 0.35 0.00 0.11 0.00 0.00 66.00 65.94 3kr5 h PRO 106 Cb 1.19 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 3kr5 h PRO 106 CO 0.60 0.49 0.84 0.82 -0.21 0.00 0.00 178.00 180.55 3kr5 h ILE 107 N 0.77 0.36 0.00 4.15 1.08 -1.92 0.20 117.51 122.15 3kr5 h ILE 107 Ca 0.57 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.99 3kr5 h ILE 107 Cb 0.87 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3kr5 h ILE 107 CO -0.38 0.03 0.00 1.41 -0.69 0.00 0.00 178.15 178.52 3kr5 n HIS 108 N -4.40 0.89 1.01 1.37 8.25 0.12 -2.02 115.22 120.45 3kr5 n HIS 108 Ca 0.29 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 58.20 3kr5 n HIS 108 Cb 1.22 -1.03 0.17 0.00 1.12 0.00 0.00 29.99 31.47 3kr5 n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kr5 n ASP 109 N -2.30 0.64 -4.62 0.41 8.00 0.05 -4.89 116.55 113.85 3kr5 n ASP 109 Ca 0.03 -0.44 -0.43 0.00 0.71 0.00 0.00 54.79 54.66 3kr5 n ASP 109 Cb 0.28 0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 3kr5 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr5 s ILE 110 N -2.98 3.96 -0.31 0.53 1.01 -0.86 -4.79 121.20 117.76 3kr5 s ILE 110 Ca 0.11 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 3kr5 s ILE 110 Cb 0.17 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3kr5 s ILE 110 CO 0.73 -0.52 1.33 -0.54 0.00 0.00 0.00 174.94 175.94 3kr5 s LYS 111 N 4.54 3.87 -0.20 2.79 1.02 0.21 -4.78 119.74 127.17 3kr5 s LYS 111 Ca 0.61 1.23 -0.07 0.00 0.02 0.00 0.00 55.97 57.76 3kr5 s LYS 111 Cb -0.17 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 3kr5 s LYS 111 CO 0.27 -1.19 0.06 0.08 -0.92 0.00 0.00 175.35 173.66 3kr5 s VAL 112 N 4.55 4.55 -0.06 3.17 1.01 -1.26 -0.68 120.40 131.68 3kr5 s VAL 112 Ca 0.58 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3kr5 s VAL 112 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3kr5 s VAL 112 CO 0.25 0.42 -0.19 -1.10 0.00 0.00 0.00 175.10 174.47 3kr5 s GLN 113 N 0.83 2.16 -0.15 2.72 -1.52 -0.34 -4.99 119.66 118.37 3kr5 s GLN 113 Ca 0.03 -0.67 -0.02 0.00 -1.95 0.00 0.00 55.36 52.76 3kr5 s GLN 113 Cb -0.14 -1.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.86 3kr5 s GLN 113 CO 0.02 0.20 -0.10 0.08 -0.25 0.00 0.00 175.29 175.25 3kr5 s VAL 114 N 0.21 3.30 0.09 1.09 1.01 -1.26 -0.50 120.40 124.35 3kr5 s VAL 114 Ca -0.10 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.42 3kr5 s VAL 114 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3kr5 s VAL 114 CO 0.04 0.50 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 3kr5 s TYR 115 N 0.51 2.39 -0.16 5.22 1.51 0.29 -4.96 117.35 122.15 3kr5 s TYR 115 Ca -0.07 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 3kr5 s TYR 115 Cb -0.15 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3kr5 s TYR 115 CO 0.04 0.28 1.62 0.34 -1.11 0.00 0.00 175.55 176.71 3kr5 s ASP 116 N -1.78 6.49 0.30 2.29 -1.08 -1.26 -2.01 116.67 119.62 3kr5 s ASP 116 Ca 0.14 1.83 0.13 0.00 -0.52 0.00 0.00 52.55 54.13 3kr5 s ASP 116 Cb -0.10 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.82 3kr5 s ASP 116 CO 0.06 -1.13 1.34 -0.38 0.52 0.00 0.00 175.17 175.58 3kr5 n ILE 117 N 6.06 -0.36 0.31 4.11 5.41 -0.59 -1.27 119.36 133.04 3kr5 n ILE 117 Ca 0.18 1.78 0.16 0.00 1.00 0.00 0.00 62.75 65.87 3kr5 n ILE 117 Cb 0.44 -2.79 0.69 0.00 -0.71 0.00 0.00 39.64 37.27 3kr5 n ILE 117 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3kr5 h LYS 118 N 0.00 0.00 0.00 0.38 1.57 -1.90 0.35 116.57 116.97 3kr5 h LYS 118 Ca 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 3kr5 h LYS 118 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.96 3kr5 h LYS 118 CO -0.70 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 178.96 3kr5 h GLY 119 N 1.75 0.00 0.00 3.86 0.00 -1.59 -3.49 103.07 103.61 3kr5 h GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kr5 h GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3kr5 n GLY 120 N 0.92 1.62 3.51 4.60 0.00 0.12 -4.92 105.19 111.04 3kr5 n GLY 120 Ca 0.04 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N 0.62 6.61 -0.54 0.00 0.01 -1.26 -1.74 114.94 118.63 3kr5 s ASN 122 Ca -0.01 0.50 -0.18 0.00 -0.71 0.00 0.00 52.86 52.46 3kr5 s ASN 122 Cb -0.14 -2.41 0.08 0.00 0.41 0.00 0.00 41.25 39.20 3kr5 s ASN 122 CO 0.02 -0.69 0.63 -0.69 -1.51 0.00 0.00 177.10 174.85 3kr5 s VAL 123 N 3.08 4.92 0.00 1.60 1.01 -1.26 -4.99 120.40 124.75 3kr5 s VAL 123 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3kr5 s VAL 123 Cb -0.13 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3kr5 s VAL 123 CO 0.15 -0.93 0.00 -0.62 0.00 0.00 0.00 175.10 173.71 3kr5 n GLU 124 N 6.07 1.62 -0.42 2.72 1.02 -1.26 -4.97 120.64 125.41 3kr5 n GLU 124 Ca -0.09 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 3kr5 n GLU 124 Cb 0.43 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.13 3kr5 n GLU 124 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3kr5 n GLU 125 N 0.00 -3.01 0.00 3.49 0.00 -1.26 -4.57 120.64 115.29 3kr5 n GLU 125 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 57.16 56.30 3kr5 n GLU 125 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 31.44 29.32 3kr5 n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kr5 n GLY 126 N 1.20 -1.72 3.17 -1.84 0.00 -1.26 -4.81 105.19 99.94 3kr5 n GLY 126 Ca 0.04 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3kr5 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr5 s LEU 127 N 0.00 2.21 -0.46 0.99 2.96 -0.16 -3.86 118.68 120.37 3kr5 s LEU 127 Ca 0.00 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 3kr5 s LEU 127 Cb 0.00 -1.49 0.08 0.00 0.50 0.00 0.00 46.19 45.27 3kr5 s LEU 127 CO 0.00 0.04 0.37 -0.89 -1.32 0.00 0.00 176.35 174.55 3kr5 s THR 128 N 1.04 5.00 -0.23 3.68 2.01 -0.70 -1.67 115.64 124.76 3kr5 s THR 128 Ca -0.01 -1.16 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 3kr5 s THR 128 Cb -0.14 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 3kr5 s THR 128 CO -0.06 -0.57 0.15 -0.63 -0.69 0.00 0.00 174.62 172.81 3kr5 s ILE 129 N 1.59 5.27 -0.16 1.82 -1.09 0.29 -1.11 121.20 127.81 3kr5 s ILE 129 Ca 0.04 0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.41 3kr5 s ILE 129 Cb -0.24 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 3kr5 s ILE 129 CO 0.05 0.36 0.55 -0.36 -1.23 0.00 0.00 174.94 174.31 3kr5 s PHE 130 N 1.01 3.43 -0.56 3.97 0.40 0.26 0.36 117.98 126.84 3kr5 s PHE 130 Ca 0.07 0.89 -0.22 0.00 -0.60 0.00 0.00 56.93 57.07 3kr5 s PHE 130 Cb -0.13 -2.68 0.05 0.00 0.51 0.00 0.00 43.02 40.77 3kr5 s PHE 130 CO 0.04 -0.03 0.86 -0.51 0.70 0.00 0.00 175.22 176.28 3kr5 s LEU 131 N 1.35 4.41 -0.04 -0.37 1.43 0.78 -0.91 118.68 125.33 3kr5 s LEU 131 Ca 0.27 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3kr5 s LEU 131 Cb -0.16 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 3kr5 s LEU 131 CO 0.11 -1.19 -0.21 0.68 0.23 0.00 0.00 176.35 175.97 3kr5 s VAL 132 N 3.61 1.70 0.46 -1.59 -7.23 -0.99 -1.50 120.40 114.87 3kr5 s VAL 132 Ca 0.24 -0.88 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 3kr5 s VAL 132 Cb -0.15 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3kr5 s VAL 132 CO 0.15 0.48 0.12 0.54 -0.31 0.00 0.00 175.10 176.09 3kr5 s ASN 133 N -0.12 4.25 -0.40 4.85 2.20 -1.26 0.13 114.94 124.58 3kr5 s ASN 133 Ca -0.02 -1.34 0.01 0.00 -0.94 0.00 0.00 52.86 50.57 3kr5 s ASN 133 Cb -0.12 -0.03 0.13 0.00 -2.00 0.00 0.00 41.25 39.24 3kr5 s ASN 133 CO 0.02 -0.70 0.21 0.21 -2.94 0.00 0.00 177.10 173.90 3kr5 s ASN 134 N -3.91 3.57 -0.05 3.54 3.84 -0.86 -4.72 114.94 116.35 3kr5 s ASN 134 Ca 0.28 -2.39 -0.29 0.00 0.21 0.00 0.00 52.86 50.67 3kr5 s ASN 134 Cb 0.04 -0.88 -0.07 0.00 -0.55 0.00 0.00 41.25 39.78 3kr5 s ASN 134 CO 0.16 -0.30 1.97 -2.16 -2.79 0.00 0.00 177.10 173.97 3kr5 s PRO 135 N 0.69 3.90 0.00 0.43 0.04 -1.26 -4.42 135.00 134.38 3kr5 s PRO 135 Ca 0.16 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3kr5 s PRO 135 Cb -0.23 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.12 3kr5 s PRO 135 CO -0.03 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.19 3kr5 n GLY 136 N 4.78 2.25 1.39 0.56 0.00 -1.25 -5.00 105.19 107.92 3kr5 n GLY 136 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3kr5 n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kr5 n LYS 137 N 0.00 0.00 -1.66 1.61 -0.00 -1.26 -5.03 118.16 111.82 3kr5 n LYS 137 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.31 57.72 3kr5 n LYS 137 Cb 0.00 -2.46 -0.08 0.00 -0.00 0.00 0.00 35.03 32.49 3kr5 n LYS 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kr5 n GLU 138 N -0.58 0.88 -1.57 -1.58 -0.58 -1.26 -0.79 120.64 115.15 3kr5 n GLU 138 Ca 0.00 0.31 -0.12 0.00 -0.42 0.00 0.00 57.16 56.93 3kr5 n GLU 138 Cb 0.49 -2.00 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 3kr5 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kr5 n ASN 139 N 5.75 -4.27 -3.80 1.62 4.13 -1.26 -5.04 115.26 112.39 3kr5 n ASN 139 Ca 0.31 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 56.48 3kr5 n ASN 139 Cb 0.09 -2.99 0.26 0.00 -1.54 0.00 0.00 39.78 35.60 3kr5 n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kr5 s GLY 140 N -2.77 1.51 0.47 7.41 0.00 0.03 -4.43 107.32 109.53 3kr5 s GLY 140 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.70 3kr5 s GLY 140 CO 0.00 0.12 1.30 2.56 0.00 0.00 0.00 173.10 177.09 3kr5 s PRO 141 N -5.15 3.62 0.31 2.90 0.04 -1.26 -1.47 135.00 133.99 3kr5 s PRO 141 Ca 0.69 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 63.57 3kr5 s PRO 141 Cb -0.13 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 3kr5 s PRO 141 CO 0.58 -0.77 1.34 0.08 0.04 0.00 0.00 177.00 178.27 3kr5 s VAL 142 N -1.33 2.71 -0.05 -0.36 1.01 0.21 -4.62 120.40 117.96 3kr5 s VAL 142 Ca 0.64 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3kr5 s VAL 142 Cb -0.37 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3kr5 s VAL 142 CO 0.46 0.15 -0.03 -0.54 0.00 0.00 0.00 175.10 175.14 3kr5 s LYS 143 N -1.41 0.71 -0.39 2.72 1.02 -1.26 -4.27 119.74 116.86 3kr5 s LYS 143 Ca 0.52 -0.03 -0.16 0.00 0.02 0.00 0.00 55.97 56.31 3kr5 s LYS 143 Cb -0.40 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.08 3kr5 s LYS 143 CO 0.50 -0.15 0.40 0.42 -0.92 0.00 0.00 175.35 175.61 3kr5 s ILE 144 N 1.20 5.12 0.02 2.17 -1.09 -1.26 -4.92 121.20 122.44 3kr5 s ILE 144 Ca -0.07 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3kr5 s ILE 144 Cb -0.14 -3.95 -0.25 0.00 -1.58 0.00 0.00 42.46 36.55 3kr5 s ILE 144 CO -0.02 -0.28 0.90 0.77 -1.23 0.00 0.00 174.94 175.08 3kr5 h SER 145 N 8.61 0.19 -4.16 3.58 4.64 -1.96 -3.48 113.55 120.97 3kr5 h SER 145 Ca -0.28 -0.27 -0.52 0.00 -0.47 0.00 0.00 61.79 60.25 3kr5 h SER 145 Cb 1.12 -0.06 0.12 0.00 -0.31 0.00 0.00 62.40 63.27 3kr5 h SER 145 CO 0.75 1.23 0.41 -0.44 -0.87 0.00 0.00 176.83 177.91 3kr5 s SER 146 N -6.68 4.87 0.06 4.97 0.01 -1.26 -4.95 113.70 110.73 3kr5 s SER 146 Ca -0.06 2.22 -0.31 0.00 1.31 0.00 0.00 55.95 59.12 3kr5 s SER 146 Cb 0.08 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 3kr5 s SER 146 CO 0.83 -1.80 1.38 -0.75 0.41 0.00 0.00 173.24 173.32 3kr5 s LYS 147 N -3.78 4.31 -0.29 12.44 2.20 -1.26 -4.98 119.74 128.37 3kr5 s LYS 147 Ca 0.72 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 3kr5 s LYS 147 Cb -0.26 -3.40 0.06 0.00 -1.51 0.00 0.00 37.83 32.72 3kr5 s LYS 147 CO 0.39 -0.49 -0.03 0.08 -0.36 0.00 0.00 175.35 174.95 3kr5 s VAL 148 N 1.69 2.64 -0.32 4.02 1.01 -1.26 -1.12 120.40 127.05 3kr5 s VAL 148 Ca 0.64 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3kr5 s VAL 148 Cb -0.34 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3kr5 s VAL 148 CO 0.29 -0.15 1.47 0.59 0.00 0.00 0.00 175.10 177.30 3kr5 n ASN 149 N 4.52 2.09 -3.46 3.32 3.02 -0.71 -4.51 115.26 119.53 3kr5 n ASN 149 Ca -0.12 -2.05 0.01 0.00 -0.03 0.00 0.00 54.58 52.39 3kr5 n ASN 149 Cb 0.43 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 3kr5 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kr5 s ASP 150 N 3.85 -0.70 0.16 6.41 2.15 -1.26 -4.79 116.67 122.50 3kr5 s ASP 150 Ca 0.18 0.96 -0.13 0.00 0.43 0.00 0.00 52.55 54.00 3kr5 s ASP 150 Cb 0.06 1.78 0.05 0.00 -0.30 0.00 0.00 42.92 44.51 3kr5 s ASP 150 CO -0.01 -0.13 1.71 0.11 -0.17 0.00 0.00 175.17 176.67 3kr5 h LYS 151 N 7.57 0.82 -0.44 4.34 1.57 -1.98 -1.98 116.57 126.47 3kr5 h LYS 151 Ca -0.16 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3kr5 h LYS 151 Cb 1.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3kr5 h LYS 151 CO 0.09 0.73 0.08 1.96 -0.57 0.00 0.00 179.45 181.74 3kr5 h GLN 152 N 0.74 0.72 0.03 3.15 1.08 -1.90 -0.60 115.11 118.34 3kr5 h GLN 152 Ca 0.18 -0.19 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 3kr5 h GLN 152 Cb 0.23 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3kr5 h GLN 152 CO -0.01 0.74 -1.00 0.28 -0.95 0.00 0.00 178.83 177.89 3kr5 h VAL 153 N 0.58 1.47 -0.28 -0.54 2.07 -1.80 -2.88 116.25 114.87 3kr5 h VAL 153 Ca 0.13 -2.71 0.05 0.00 0.82 0.00 0.00 66.70 65.00 3kr5 h VAL 153 Cb 0.36 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.64 3kr5 h VAL 153 CO 0.01 0.79 -0.45 0.28 0.02 0.00 0.00 177.57 178.22 3kr5 h SER 154 N 0.14 -1.46 -0.35 0.57 0.02 -1.01 -0.34 113.55 111.11 3kr5 h SER 154 Ca -0.08 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3kr5 h SER 154 Cb 1.66 0.61 -0.08 0.00 0.14 0.00 0.00 62.40 64.73 3kr5 h SER 154 CO 0.16 -0.41 -0.27 -0.08 -1.14 0.00 0.00 176.83 175.10 3kr5 h GLU 155 N -0.42 -0.21 -0.43 3.45 4.57 -1.05 -2.38 114.58 118.10 3kr5 h GLU 155 Ca 0.10 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 3kr5 h GLU 155 Cb 0.61 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 3kr5 h GLU 155 CO -0.50 -0.14 0.08 0.35 -1.18 0.00 0.00 179.01 177.61 3kr5 h PHE 156 N -0.22 0.12 -0.29 0.92 3.57 -1.18 -1.25 116.94 118.60 3kr5 h PHE 156 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3kr5 h PHE 156 Cb 0.49 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3kr5 h PHE 156 CO -0.47 -0.01 0.00 1.28 -2.23 0.00 0.00 178.31 176.88 3kr5 n LEU 157 N -5.12 2.60 -4.64 0.59 4.77 -0.20 -4.54 117.00 110.47 3kr5 n LEU 157 Ca 0.04 -1.31 -0.31 0.00 -0.03 0.00 0.00 56.01 54.40 3kr5 n LEU 157 Cb 0.21 -0.44 0.18 0.00 -2.33 0.00 0.00 43.42 41.04 3kr5 n LEU 157 CO 0.22 0.43 0.65 -1.59 -1.33 0.00 0.00 177.39 175.77 3kr5 s LYS 158 N -1.70 0.66 0.13 3.23 -2.85 -0.47 -4.49 119.74 114.24 3kr5 s LYS 158 Ca 0.24 1.43 -0.14 0.00 -1.00 0.00 0.00 55.97 56.50 3kr5 s LYS 158 Cb 0.16 -1.69 -0.02 0.00 -2.06 0.00 0.00 37.83 34.22 3kr5 s LYS 158 CO 0.10 -2.84 1.58 -0.44 0.10 0.00 0.00 175.35 173.85 3kr5 h ASP 159 N -2.02 0.71 -0.96 0.03 5.19 -1.90 -0.22 116.42 117.25 3kr5 h ASP 159 Ca -0.46 -0.30 0.16 0.00 -0.62 0.00 0.00 57.03 55.80 3kr5 h ASP 159 Cb 1.28 -0.19 -0.10 0.00 0.18 0.00 0.00 39.33 40.50 3kr5 h ASP 159 CO 0.43 0.84 0.57 -0.08 -3.12 0.00 0.00 179.24 177.87 3kr5 h GLU 160 N 0.56 0.76 0.03 3.56 4.81 -1.95 0.54 114.58 122.88 3kr5 h GLU 160 Ca 0.12 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.08 3kr5 h GLU 160 Cb 0.47 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kr5 h GLU 160 CO 0.02 0.50 -0.99 -0.91 -0.73 0.00 0.00 179.01 176.90 3kr5 h ASN 161 N 0.78 0.40 1.40 1.04 2.35 -1.71 -3.30 115.58 116.54 3kr5 h ASN 161 Ca 0.53 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3kr5 h ASN 161 Cb 0.73 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3kr5 h ASN 161 CO -0.35 1.18 -0.36 0.24 -1.65 0.00 0.00 177.43 176.49 3kr5 h MET 162 N 0.15 0.00 0.00 0.81 2.86 0.82 -3.37 114.93 116.20 3kr5 h MET 162 Ca -0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3kr5 h MET 162 Cb 1.65 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.30 3kr5 h MET 162 CO 0.16 0.00 -0.09 1.05 1.06 0.00 0.00 176.91 179.09 3kr5 h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -0.10 -0.84 114.58 119.47 3kr5 h GLU 163 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kr5 h GLU 163 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kr5 h GLU 163 CO 0.00 0.09 -0.00 1.57 0.07 0.00 0.00 179.01 180.74 3kr5 h LYS 164 N 0.00 0.00 -5.74 1.06 2.10 -1.80 -3.41 116.57 108.77 3kr5 h LYS 164 Ca -0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 3kr5 h LYS 164 Cb 0.19 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.43 3kr5 h LYS 164 CO 0.01 0.00 -0.52 -0.06 -2.00 0.00 0.00 179.45 176.88 3kr5 s PHE 165 N -4.09 3.47 0.19 0.07 0.08 -0.32 -5.02 117.98 112.37 3kr5 s PHE 165 Ca -0.04 0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.50 3kr5 s PHE 165 Cb 0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3kr5 s PHE 165 CO 0.43 0.66 0.06 0.54 -0.10 0.00 0.00 175.22 176.81 3kr5 s ASN 166 N -1.02 5.05 -0.02 1.36 2.20 -1.26 0.64 114.94 121.90 3kr5 s ASN 166 Ca 0.15 -0.33 0.04 0.00 -0.94 0.00 0.00 52.86 51.78 3kr5 s ASN 166 Cb -0.12 -1.17 0.15 0.00 -2.00 0.00 0.00 41.25 38.12 3kr5 s ASN 166 CO 0.04 0.06 0.96 1.33 -2.94 0.00 0.00 177.10 176.55 3kr5 n VAL 167 N -0.41 0.37 -1.64 3.54 0.24 -0.54 -4.72 118.33 115.16 3kr5 n VAL 167 Ca -0.09 -0.24 -0.50 0.00 -2.04 0.00 0.00 64.34 61.47 3kr5 n VAL 167 Cb 0.56 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kr5 n LYS 168 N 0.03 1.63 -1.61 7.34 4.81 -1.26 -0.48 118.16 128.62 3kr5 n LYS 168 Ca 0.05 0.59 -0.53 0.00 -0.87 0.00 0.00 58.31 57.56 3kr5 n LYS 168 Cb 0.27 -2.30 -0.06 0.00 0.02 0.00 0.00 35.03 32.96 3kr5 n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kr5 n LEU 169 N 3.28 2.60 0.00 3.14 7.94 -1.25 -0.19 117.00 132.51 3kr5 n LEU 169 Ca 0.18 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 3kr5 n LEU 169 Cb 0.23 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 42.93 3kr5 n LEU 169 CO 0.64 -0.43 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 3kr5 n GLY 170 N 5.13 0.51 3.79 -3.96 0.00 -0.81 -4.92 105.19 104.93 3kr5 n GLY 170 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kr5 s THR 171 N -2.15 3.48 -0.00 2.61 -1.32 0.73 -4.77 115.64 114.21 3kr5 s THR 171 Ca 0.00 0.81 -0.25 0.00 -1.21 0.00 0.00 61.69 61.04 3kr5 s THR 171 Cb 0.00 -3.31 0.06 0.00 -1.51 0.00 0.00 72.50 67.74 3kr5 s THR 171 CO 0.00 -0.30 0.56 -0.94 -2.21 0.00 0.00 174.62 171.73 3kr5 s SER 172 N -2.24 -0.51 0.06 8.08 1.04 -1.26 0.43 113.70 119.31 3kr5 s SER 172 Ca 0.68 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 57.48 3kr5 s SER 172 Cb -0.20 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 3kr5 s SER 172 CO 0.31 -0.63 0.07 -0.54 0.98 0.00 0.00 173.24 173.43 3kr5 s LYS 173 N -1.72 0.66 -0.08 4.02 -0.14 -0.87 -5.01 119.74 116.61 3kr5 s LYS 173 Ca -0.09 -1.00 0.01 0.00 -1.36 0.00 0.00 55.97 53.53 3kr5 s LYS 173 Cb -0.01 0.25 -0.03 0.00 -1.68 0.00 0.00 37.83 36.36 3kr5 s LYS 173 CO 0.04 -0.16 -0.08 -1.01 -0.76 0.00 0.00 175.35 173.38 3kr5 s HIS 174 N -3.47 2.90 0.12 3.18 3.76 -1.26 -3.30 115.29 117.21 3kr5 s HIS 174 Ca 0.02 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 3kr5 s HIS 174 Cb 0.04 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 3kr5 s HIS 174 CO -0.09 0.24 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.79 3kr5 s PHE 175 N -0.61 1.75 -0.06 1.40 2.99 0.34 -4.97 117.98 118.83 3kr5 s PHE 175 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 56.93 56.55 3kr5 s PHE 175 Cb -0.12 -0.93 0.04 0.00 0.00 0.00 0.00 43.02 42.01 3kr5 s PHE 175 CO 0.02 0.24 0.13 -0.47 -0.00 0.00 0.00 175.22 175.13 3kr5 s TYR 176 N -1.52 -0.13 0.24 0.36 5.04 -1.26 -0.94 117.35 119.14 3kr5 s TYR 176 Ca 0.09 0.42 -0.21 0.00 -2.44 0.00 0.00 57.07 54.92 3kr5 s TYR 176 Cb -0.08 -0.10 0.05 0.00 0.35 0.00 0.00 41.96 42.18 3kr5 s TYR 176 CO 0.05 -0.15 0.89 0.00 -1.34 0.00 0.00 175.55 175.00 3kr5 s MET 177 N 1.07 1.58 -0.03 4.97 0.23 -0.96 -5.01 119.30 121.15 3kr5 s MET 177 Ca -0.08 -0.94 -0.03 0.00 -1.03 0.00 0.00 55.69 53.60 3kr5 s MET 177 Cb -0.11 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 3kr5 s MET 177 CO -0.05 -0.73 0.16 -0.06 -2.03 0.00 0.00 175.02 172.30 3kr5 s PHE 178 N -2.99 3.52 0.02 3.16 0.08 -1.26 0.15 117.98 120.67 3kr5 s PHE 178 Ca 0.15 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.57 3kr5 s PHE 178 Cb -0.03 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 3kr5 s PHE 178 CO 0.06 0.65 0.02 0.27 -0.10 0.00 0.00 175.22 176.13 3kr5 n ASN 179 N 1.22 0.05 0.24 1.36 0.23 -1.19 -4.59 115.26 112.58 3kr5 n ASN 179 Ca -0.13 -1.04 0.09 0.00 -0.53 0.00 0.00 54.58 52.97 3kr5 n ASN 179 Cb 0.53 -0.01 0.60 0.00 -2.08 0.00 0.00 39.78 38.82 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kr5 h ASP 180 N -0.00 0.00 -0.58 0.53 5.19 -1.94 -1.63 116.42 117.99 3kr5 h ASP 180 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3kr5 h ASP 180 Cb 0.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 3kr5 h ASP 180 CO 0.01 0.17 0.04 0.59 -3.12 0.00 0.00 179.24 176.93 3kr5 n ASN 181 N -3.92 5.46 -3.60 6.45 3.02 -1.26 -4.93 115.26 116.48 3kr5 n ASN 181 Ca -0.02 -2.93 -0.22 0.00 -0.03 0.00 0.00 54.58 51.37 3kr5 n ASN 181 Cb 0.26 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3kr5 n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kr5 n LYS 182 N 0.50 -3.67 -3.81 3.52 4.01 -0.61 -4.98 118.16 113.11 3kr5 n LYS 182 Ca 0.29 0.64 -0.30 0.00 -0.51 0.00 0.00 58.31 58.42 3kr5 n LYS 182 Cb 1.19 -5.09 -0.15 0.00 -0.51 0.00 0.00 35.03 30.47 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kr5 s ASN 183 N -3.99 4.17 -0.64 4.39 0.02 -1.26 -4.85 114.94 112.79 3kr5 s ASN 183 Ca 0.19 -1.72 -0.35 0.00 -1.02 0.00 0.00 52.86 49.97 3kr5 s ASN 183 Cb -0.05 -1.06 -0.16 0.00 0.02 0.00 0.00 41.25 39.99 3kr5 s ASN 183 CO 0.81 -0.39 2.40 -1.54 0.02 0.00 0.00 177.10 178.39 3kr5 n SER 184 N 4.70 1.15 -4.92 -1.22 3.41 -1.26 -3.20 113.62 112.28 3kr5 n SER 184 Ca -0.01 0.26 -0.30 0.00 -0.26 0.00 0.00 58.87 58.56 3kr5 n SER 184 Cb 0.42 -1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 3kr5 n SER 184 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3kr5 s VAL 185 N 8.31 5.36 -0.13 -3.33 -7.23 0.12 -4.93 120.40 118.56 3kr5 s VAL 185 Ca 1.20 -0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 60.92 3kr5 s VAL 185 Cb -1.06 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 32.19 3kr5 s VAL 185 CO 0.50 0.08 0.01 0.00 -0.31 0.00 0.00 175.10 175.38 3kr5 s ALA 186 N -1.57 3.23 0.09 1.32 0.00 -1.25 -2.28 121.76 121.30 3kr5 s ALA 186 Ca 0.35 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 3kr5 s ALA 186 Cb -0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 3kr5 s ALA 186 CO 0.28 0.37 0.09 0.08 0.00 0.00 0.00 175.76 176.58 3kr5 s VAL 187 N -0.17 0.16 -1.44 0.00 1.01 -0.11 -1.72 120.40 118.12 3kr5 s VAL 187 Ca 0.05 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.45 3kr5 s VAL 187 Cb -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3kr5 s VAL 187 CO 0.02 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.01 3kr5 n GLY 188 N -0.02 -1.61 3.07 4.51 0.00 -0.27 0.13 105.19 111.00 3kr5 n GLY 188 Ca -0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3kr5 n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kr5 s TYR 189 N -2.04 -0.03 -0.18 1.61 1.13 -1.21 0.91 117.35 117.54 3kr5 s TYR 189 Ca 0.00 0.06 -0.08 0.00 -1.41 0.00 0.00 57.07 55.64 3kr5 s TYR 189 Cb 0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 3kr5 s TYR 189 CO 0.00 -0.20 0.09 0.08 -2.51 0.00 0.00 175.55 173.01 3kr5 s VAL 190 N -0.79 5.07 0.01 -3.49 1.01 -0.09 -2.04 120.40 120.08 3kr5 s VAL 190 Ca -0.09 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3kr5 s VAL 190 Cb -0.05 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3kr5 s VAL 190 CO 0.01 0.47 1.83 -0.83 0.00 0.00 0.00 175.10 176.57 3kr5 s GLY 191 N 0.24 1.48 -0.35 4.51 0.00 0.17 -2.36 107.32 111.02 3kr5 s GLY 191 Ca 0.06 1.19 0.07 0.00 0.00 0.00 0.00 44.72 46.04 3kr5 s GLY 191 CO -0.00 3.26 1.80 0.00 0.00 0.00 0.00 173.10 178.15 3kr5 n GLY 193 N -0.47 0.14 0.06 0.00 0.00 0.37 -4.55 105.19 100.75 3kr5 n GLY 193 Ca 0.46 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kr5 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 194 N -0.86 0.06 -4.49 1.61 3.41 -1.26 -2.03 113.62 110.06 3kr5 n SER 194 Ca 0.00 -1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.03 3kr5 n SER 194 Cb 0.00 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 3kr5 n SER 194 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3kr5 s VAL 195 N -0.03 4.67 0.33 -3.33 -7.23 -1.26 -3.80 120.40 109.74 3kr5 s VAL 195 Ca 0.00 -0.05 0.12 0.00 -1.81 0.00 0.00 61.98 60.23 3kr5 s VAL 195 Cb 0.00 -4.38 0.35 0.00 0.56 0.00 0.00 36.38 32.91 3kr5 s VAL 195 CO 0.00 -0.89 1.61 0.00 -0.31 0.00 0.00 175.10 175.51 3kr5 h ALA 196 N 9.10 1.73 -2.11 1.32 0.00 -1.95 -3.21 119.26 124.14 3kr5 h ALA 196 Ca -0.26 0.26 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3kr5 h ALA 196 Cb 1.09 0.35 -0.17 0.00 0.00 0.00 0.00 17.79 19.06 3kr5 h ALA 196 CO 1.00 -0.69 0.11 -0.51 0.00 0.00 0.00 179.25 179.17 3kr5 s ASP 197 N -4.83 6.27 0.49 0.00 1.01 -1.26 -4.61 116.67 113.75 3kr5 s ASP 197 Ca -0.11 -0.65 -0.22 0.00 0.71 0.00 0.00 52.55 52.28 3kr5 s ASP 197 Cb 0.30 -2.31 -0.07 0.00 1.01 0.00 0.00 42.92 41.86 3kr5 s ASP 197 CO 0.78 -0.88 1.19 -0.76 0.21 0.00 0.00 175.17 175.71 3kr5 s LEU 198 N 2.81 3.93 0.45 1.23 1.43 -1.21 -5.03 118.68 122.28 3kr5 s LEU 198 Ca 0.19 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.71 3kr5 s LEU 198 Cb -0.17 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 3kr5 s LEU 198 CO 0.15 -1.09 0.26 -0.94 0.23 0.00 0.00 176.35 174.96 3kr5 s SER 199 N -1.38 4.59 0.36 2.29 1.04 -1.26 -4.91 113.70 114.42 3kr5 s SER 199 Ca 0.67 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 56.10 3kr5 s SER 199 Cb -0.30 -0.23 0.80 0.00 0.10 0.00 0.00 66.02 66.40 3kr5 s SER 199 CO 0.35 -0.72 1.88 -0.08 0.98 0.00 0.00 173.24 175.66 3kr5 h GLU 200 N 1.18 0.68 0.10 4.02 4.22 -1.96 0.21 114.58 123.03 3kr5 h GLU 200 Ca -0.41 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 58.85 3kr5 h GLU 200 Cb 1.27 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.38 3kr5 h GLU 200 CO 0.65 0.45 -0.61 0.00 -2.18 0.00 0.00 179.01 177.31 3kr5 h ALA 201 N 1.60 -0.06 -0.36 2.92 0.00 -1.95 -3.08 119.26 118.33 3kr5 h ALA 201 Ca 0.43 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kr5 h ALA 201 Cb 0.65 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kr5 h ALA 201 CO -0.19 0.29 0.23 -0.44 0.00 0.00 0.00 179.25 179.14 3kr5 h ASP 202 N -0.48 0.39 -0.67 0.00 3.32 -1.79 -1.39 116.42 115.79 3kr5 h ASP 202 Ca -0.10 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.04 3kr5 h ASP 202 Cb 1.47 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3kr5 h ASP 202 CO 0.12 0.28 0.45 -0.03 -1.72 0.00 0.00 179.24 178.33 3kr5 h MET 203 N 0.47 0.52 -0.40 3.56 4.05 -0.72 0.13 114.93 122.53 3kr5 h MET 203 Ca 0.14 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 3kr5 h MET 203 Cb -0.03 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3kr5 h MET 203 CO -0.05 0.34 -0.09 -0.22 0.23 0.00 0.00 176.91 177.13 3kr5 h LYS 204 N 0.54 0.70 -0.21 0.39 3.64 -1.18 -0.51 116.57 119.94 3kr5 h LYS 204 Ca 0.31 -0.22 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3kr5 h LYS 204 Cb 0.49 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3kr5 h LYS 204 CO -0.10 0.78 -0.56 0.00 -2.27 0.00 0.00 179.45 177.30 3kr5 h ARG 205 N 0.65 0.76 0.09 1.90 3.08 -0.13 0.20 114.38 120.92 3kr5 h ARG 205 Ca 0.12 -0.53 0.02 0.00 0.07 0.00 0.00 59.98 59.65 3kr5 h ARG 205 Cb 0.54 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 3kr5 h ARG 205 CO 0.03 1.15 -0.47 0.28 -1.07 0.00 0.00 179.97 179.89 3kr5 h VAL 206 N 0.48 0.08 -0.22 2.04 2.07 -0.82 0.18 116.25 120.06 3kr5 h VAL 206 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3kr5 h VAL 206 Cb 1.18 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3kr5 h VAL 206 CO 0.12 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.90 3kr5 h VAL 207 N -0.69 0.18 -0.85 2.57 2.07 -1.04 0.53 116.25 119.02 3kr5 h VAL 207 Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 3kr5 h VAL 207 Cb 0.72 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 3kr5 h VAL 207 CO -0.28 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.37 3kr5 h LEU 208 N -0.41 -0.18 0.25 2.57 3.38 -0.01 0.85 115.31 121.76 3kr5 h LEU 208 Ca 0.10 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kr5 h LEU 208 Cb 0.59 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kr5 h LEU 208 CO -0.44 -0.19 -0.12 0.28 0.09 0.00 0.00 178.44 178.06 3kr5 h SER 209 N 0.15 -0.28 -0.75 -0.43 0.02 0.43 -2.28 113.55 110.41 3kr5 h SER 209 Ca 0.51 -0.12 0.17 0.00 -0.84 0.00 0.00 61.79 61.51 3kr5 h SER 209 Cb 0.99 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.48 3kr5 h SER 209 CO -0.69 -0.04 0.13 0.25 -1.14 0.00 0.00 176.83 175.34 3kr5 h LEU 210 N -0.52 -0.09 -1.16 5.07 5.85 0.88 -0.21 115.31 125.13 3kr5 h LEU 210 Ca -0.03 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3kr5 h LEU 210 Cb 0.38 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3kr5 h LEU 210 CO 0.06 -0.09 0.12 0.58 -0.34 0.00 0.00 178.44 178.77 3kr5 h VAL 211 N 0.21 1.20 -0.15 1.05 2.07 0.91 -2.47 116.25 119.08 3kr5 h VAL 211 Ca 0.43 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3kr5 h VAL 211 Cb 0.75 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3kr5 h VAL 211 CO -0.57 0.27 -0.17 0.71 0.02 0.00 0.00 177.57 177.83 3kr5 h THR 212 N 0.69 1.20 0.00 2.57 1.35 -0.46 0.44 112.91 118.70 3kr5 h THR 212 Ca 0.16 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 65.09 3kr5 h THR 212 Cb 0.25 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3kr5 h THR 212 CO -0.00 0.28 -0.14 0.24 -0.25 0.00 0.00 175.52 175.64 3kr5 h MET 213 N 0.23 0.00 0.00 4.72 2.07 -1.20 -3.24 114.93 117.50 3kr5 h MET 213 Ca 0.04 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 3kr5 h MET 213 Cb 0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 3kr5 h MET 213 CO 0.03 0.14 -0.30 -0.07 1.07 0.00 0.00 176.91 177.78 3kr5 h LEU 214 N 0.00 0.00 -9.70 1.22 3.38 0.09 -3.43 115.31 106.88 3kr5 h LEU 214 Ca -0.00 -0.74 -0.58 0.00 0.09 0.00 0.00 57.88 56.65 3kr5 h LEU 214 Cb 0.55 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.41 3kr5 h LEU 214 CO 0.02 1.04 0.42 1.41 0.09 0.00 0.00 178.44 181.42 3kr5 n HIS 215 N -4.59 2.03 -1.72 1.13 8.25 0.38 -3.15 115.22 117.54 3kr5 n HIS 215 Ca -0.14 0.58 -0.10 0.00 -0.26 0.00 0.00 57.72 57.80 3kr5 n HIS 215 Cb 0.46 -2.37 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 3kr5 n HIS 215 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kr5 n ASP 216 N 0.79 -3.85 -3.36 0.41 8.00 -1.26 -4.89 116.55 112.39 3kr5 n ASP 216 Ca 0.06 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 3kr5 n ASP 216 Cb 0.36 -2.66 -0.08 0.00 -0.02 0.00 0.00 41.12 38.72 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kr5 s ASN 217 N -2.73 1.16 -0.71 -2.24 3.84 -1.19 -5.08 114.94 108.00 3kr5 s ASN 217 Ca 0.00 -0.63 -0.26 0.00 0.21 0.00 0.00 52.86 52.18 3kr5 s ASN 217 Cb 0.00 0.74 -0.10 0.00 -0.55 0.00 0.00 41.25 41.34 3kr5 s ASN 217 CO 0.00 -0.37 2.31 -0.54 -2.79 0.00 0.00 177.10 175.70 3kr5 s LYS 218 N 2.42 1.94 0.02 0.43 1.02 -1.26 -4.91 119.74 119.39 3kr5 s LYS 218 Ca 0.10 0.65 0.07 0.00 0.02 0.00 0.00 55.97 56.80 3kr5 s LYS 218 Cb -0.13 -4.74 -0.03 0.00 -0.52 0.00 0.00 37.83 32.41 3kr5 s LYS 218 CO -0.31 -3.86 -0.19 -0.51 -0.92 0.00 0.00 175.35 169.55 3kr5 s LEU 219 N 13.04 2.51 -0.03 3.17 1.43 -1.26 -5.01 118.68 132.53 3kr5 s LEU 219 Ca 0.89 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 3kr5 s LEU 219 Cb -0.13 -1.47 -0.24 0.00 0.03 0.00 0.00 46.19 44.37 3kr5 s LEU 219 CO 0.13 0.27 0.72 0.77 0.23 0.00 0.00 176.35 178.47 3kr5 h SER 220 N 4.77 0.14 -3.65 2.29 4.64 -1.91 -3.01 113.55 116.83 3kr5 h SER 220 Ca -0.47 -0.25 -0.29 0.00 -0.47 0.00 0.00 61.79 60.31 3kr5 h SER 220 Cb 1.15 -0.04 -0.31 0.00 -0.31 0.00 0.00 62.40 62.88 3kr5 h SER 220 CO 0.47 1.22 -0.73 -0.75 -0.87 0.00 0.00 176.83 176.17 3kr5 s LYS 221 N -2.61 0.12 -0.10 4.77 2.20 -1.26 0.40 119.74 123.26 3kr5 s LYS 221 Ca -0.08 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 3kr5 s LYS 221 Cb 0.08 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3kr5 s LYS 221 CO 0.82 -0.06 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.35 3kr5 s LEU 222 N 0.49 2.15 -0.20 5.43 2.96 -0.64 -0.98 118.68 127.90 3kr5 s LEU 222 Ca -0.04 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 3kr5 s LEU 222 Cb -0.07 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 3kr5 s LEU 222 CO -0.01 0.16 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.23 3kr5 s THR 223 N 0.34 3.42 -0.19 3.68 2.01 -0.67 -0.18 115.64 124.05 3kr5 s THR 223 Ca -0.18 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 3kr5 s THR 223 Cb -0.18 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3kr5 s THR 223 CO 0.09 0.45 0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 3kr5 s VAL 224 N 1.11 4.32 -0.49 3.82 1.01 -0.88 0.10 120.40 129.40 3kr5 s VAL 224 Ca 0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3kr5 s VAL 224 Cb -0.15 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.36 3kr5 s VAL 224 CO -0.01 0.44 0.45 -0.69 0.00 0.00 0.00 175.10 175.29 3kr5 s VAL 225 N 0.72 5.17 -0.41 2.92 1.01 0.16 -1.17 120.40 128.80 3kr5 s VAL 225 Ca 0.01 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3kr5 s VAL 225 Cb -0.14 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3kr5 s VAL 225 CO 0.02 -0.66 1.95 -0.36 0.00 0.00 0.00 175.10 176.05 3kr5 s PHE 226 N 1.79 1.59 -0.43 5.22 0.40 -0.37 -0.15 117.98 126.03 3kr5 s PHE 226 Ca 0.06 0.78 0.05 0.00 -0.60 0.00 0.00 56.93 57.21 3kr5 s PHE 226 Cb -0.24 -4.02 0.44 0.00 0.51 0.00 0.00 43.02 39.70 3kr5 s PHE 226 CO 0.07 -2.88 1.33 0.39 0.70 0.00 0.00 175.22 174.82 3kr5 n GLU 227 N 8.73 3.38 -4.03 0.44 1.02 -0.56 -4.62 120.64 125.00 3kr5 n GLU 227 Ca 0.25 -4.14 -0.09 0.00 -0.02 0.00 0.00 57.16 53.16 3kr5 n GLU 227 Cb 0.49 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 3kr5 n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kr5 s ILE 228 N -5.00 0.09 0.01 -3.67 -4.36 -1.25 -4.33 121.20 102.71 3kr5 s ILE 228 Ca 0.52 -1.59 -0.23 0.00 -0.26 0.00 0.00 60.65 59.09 3kr5 s ILE 228 Cb 0.42 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 3kr5 s ILE 228 CO -0.09 -0.43 0.68 0.20 0.24 0.00 0.00 174.94 175.55 3kr5 s ASN 229 N -2.99 7.08 -0.09 4.36 -0.87 -1.26 -4.97 114.94 116.20 3kr5 s ASN 229 Ca 0.18 1.29 -0.08 0.00 -1.57 0.00 0.00 52.86 52.68 3kr5 s ASN 229 Cb 0.05 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 38.89 3kr5 s ASN 229 CO -0.01 0.04 0.25 0.68 -2.57 0.00 0.00 177.10 175.49 3kr5 s VAL 230 N -0.04 -0.00 1.00 1.60 -7.23 -1.26 -4.67 120.40 109.81 3kr5 s VAL 230 Ca 0.35 0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 3kr5 s VAL 230 Cb -0.19 -0.35 0.19 0.00 0.56 0.00 0.00 36.38 36.59 3kr5 s VAL 230 CO 0.20 0.01 1.12 1.51 -0.31 0.00 0.00 175.10 177.62 3kr5 s ASP 231 N 0.23 2.63 0.43 4.85 -4.77 -1.26 -4.83 116.67 113.95 3kr5 s ASP 231 Ca -0.01 0.97 0.09 0.00 -3.30 0.00 0.00 52.55 50.30 3kr5 s ASP 231 Cb -0.02 -1.52 0.92 0.00 -1.09 0.00 0.00 42.92 41.21 3kr5 s ASP 231 CO -0.00 -3.10 2.07 0.11 0.70 0.00 0.00 175.17 174.94 3kr5 h LYS 232 N -1.88 0.46 -0.13 2.11 1.57 -1.98 -0.71 116.57 116.01 3kr5 h LYS 232 Ca -0.52 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.19 3kr5 h LYS 232 Cb 1.32 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3kr5 h LYS 232 CO 0.55 0.30 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.72 3kr5 h ASN 233 N 0.47 0.32 -0.67 0.86 2.35 -1.92 0.40 115.58 117.38 3kr5 h ASN 233 Ca 0.14 -0.46 -0.05 0.00 -0.55 0.00 0.00 56.30 55.37 3kr5 h ASN 233 Cb -0.03 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3kr5 h ASN 233 CO -0.03 0.71 0.23 0.25 -1.65 0.00 0.00 177.43 176.94 3kr5 h LEU 234 N -0.07 0.98 -0.46 1.61 5.85 -1.83 0.55 115.31 121.94 3kr5 h LEU 234 Ca 0.02 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3kr5 h LEU 234 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kr5 h LEU 234 CO 0.03 0.91 -0.22 0.15 -0.34 0.00 0.00 178.44 178.96 3kr5 h PHE 235 N 1.02 1.10 -0.73 1.25 3.57 -0.97 0.28 116.94 122.45 3kr5 h PHE 235 Ca 0.23 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3kr5 h PHE 235 Cb 0.27 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3kr5 h PHE 235 CO 0.02 1.09 0.48 -0.09 -2.23 0.00 0.00 178.31 177.58 3kr5 h ARG 236 N 0.80 0.95 -0.98 1.11 2.43 -0.52 -1.15 114.38 117.01 3kr5 h ARG 236 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kr5 h ARG 236 Cb 0.80 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 3kr5 h ARG 236 CO 0.07 0.63 0.63 0.35 -1.51 0.00 0.00 179.97 180.14 3kr5 h PHE 237 N 0.97 1.26 0.08 2.20 3.57 0.51 -1.02 116.94 124.50 3kr5 h PHE 237 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 3kr5 h PHE 237 Cb -0.09 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.23 3kr5 h PHE 237 CO -0.03 0.81 -0.04 0.35 -2.23 0.00 0.00 178.31 177.17 3kr5 h PHE 238 N 1.34 -0.09 -0.18 0.41 3.57 0.14 -1.18 116.94 120.95 3kr5 h PHE 238 Ca 0.36 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.90 3kr5 h PHE 238 Cb -0.12 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3kr5 h PHE 238 CO 0.00 0.02 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.93 3kr5 h LEU 239 N -0.18 -0.32 0.72 0.59 3.38 -0.59 0.19 115.31 119.10 3kr5 h LEU 239 Ca -0.01 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 239 Cb 0.15 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kr5 h LEU 239 CO 0.02 -0.13 -0.43 -0.33 0.09 0.00 0.00 178.44 177.66 3kr5 h GLU 240 N -0.09 -1.03 -0.88 1.13 5.08 -1.14 0.88 114.58 118.54 3kr5 h GLU 240 Ca 0.10 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 3kr5 h GLU 240 Cb 0.24 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 3kr5 h GLU 240 CO -0.23 -0.69 0.51 1.15 -1.00 0.00 0.00 179.01 178.75 3kr5 h THR 241 N -1.07 0.87 0.28 1.13 2.02 -1.22 1.16 112.91 116.08 3kr5 h THR 241 Ca -0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3kr5 h THR 241 Cb 0.86 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3kr5 h THR 241 CO 0.11 0.15 -0.19 0.25 0.37 0.00 0.00 175.52 176.20 3kr5 h LEU 242 N 0.80 -0.49 -0.80 2.58 5.85 0.27 0.28 115.31 123.80 3kr5 h LEU 242 Ca 0.44 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.29 3kr5 h LEU 242 Cb 0.47 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 3kr5 h LEU 242 CO -0.28 -0.28 -0.39 0.49 -0.34 0.00 0.00 178.44 177.64 3kr5 n PHE 243 N -3.46 -0.16 -0.36 1.25 3.72 0.22 -0.14 117.46 118.52 3kr5 n PHE 243 Ca -0.05 0.99 -0.01 0.00 -0.05 0.00 0.00 57.45 58.33 3kr5 n PHE 243 Cb 0.19 -0.69 0.13 0.00 -0.94 0.00 0.00 39.48 38.17 3kr5 n PHE 243 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3kr5 h TYR 244 N 0.00 1.21 0.00 1.38 3.20 0.17 -1.31 116.97 121.61 3kr5 h TYR 244 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3kr5 h TYR 244 Cb 0.41 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3kr5 h TYR 244 CO -0.76 0.71 -0.28 0.93 -1.64 0.00 0.00 178.16 177.13 3kr5 h GLU 245 N 1.26 0.00 0.00 1.82 4.39 0.20 -3.19 114.58 119.06 3kr5 h GLU 245 Ca 0.38 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.93 3kr5 h GLU 245 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3kr5 h GLU 245 CO -0.11 0.00 -1.07 -0.92 -1.16 0.00 0.00 179.01 175.75 3kr5 h TYR 246 N 0.00 0.00 -4.18 4.33 3.20 0.08 -3.45 116.97 116.95 3kr5 h TYR 246 Ca 0.00 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.36 3kr5 h TYR 246 Cb 0.96 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.33 3kr5 h TYR 246 CO 0.00 0.60 0.39 1.41 -1.64 0.00 0.00 178.16 178.92 3kr5 s MET 247 N -2.91 2.83 -0.18 1.82 1.75 -0.55 -5.02 119.30 117.04 3kr5 s MET 247 Ca -0.00 1.47 -0.04 0.00 -1.25 0.00 0.00 55.69 55.87 3kr5 s MET 247 Cb 0.08 -1.95 0.09 0.00 2.84 0.00 0.00 34.83 35.89 3kr5 s MET 247 CO 0.79 -1.24 0.25 0.99 -0.65 0.00 0.00 175.02 175.15 3kr5 s THR 248 N -2.19 -0.38 -0.50 10.11 2.01 -1.26 -5.00 115.64 118.43 3kr5 s THR 248 Ca 0.69 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 3kr5 s THR 248 Cb -0.22 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.70 3kr5 s THR 248 CO 0.39 -0.09 1.32 -0.62 -0.69 0.00 0.00 174.62 174.93 3kr5 s ASP 249 N 2.37 6.35 -0.25 3.53 -1.08 -1.26 -4.88 116.67 121.46 3kr5 s ASP 249 Ca 0.06 0.48 0.13 0.00 -0.52 0.00 0.00 52.55 52.70 3kr5 s ASP 249 Cb -0.15 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.41 3kr5 s ASP 249 CO -0.11 -1.49 1.60 -0.62 0.52 0.00 0.00 175.17 175.07 3kr5 n GLU 250 N 8.26 3.35 -0.05 4.34 1.02 -1.26 -4.68 120.64 131.62 3kr5 n GLU 250 Ca 0.13 -3.02 0.09 0.00 -0.02 0.00 0.00 57.16 54.34 3kr5 n GLU 250 Cb 0.49 -2.02 0.47 0.00 -0.02 0.00 0.00 31.44 30.35 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kr5 h ARG 251 N 2.31 0.45 -0.38 3.49 3.08 -1.97 -2.03 114.38 119.33 3kr5 h ARG 251 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3kr5 h ARG 251 Cb 1.83 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.78 3kr5 h ARG 251 CO 0.44 0.30 0.00 1.19 -1.07 0.00 0.00 179.97 180.83 3kr5 n PHE 252 N -4.47 0.87 -3.12 3.04 3.01 -1.26 -4.88 117.46 110.64 3kr5 n PHE 252 Ca 0.07 -0.67 -0.39 0.00 1.01 0.00 0.00 57.45 57.48 3kr5 n PHE 252 Cb 0.25 -0.18 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3kr5 n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kr5 s LYS 253 N -1.87 4.39 0.00 -1.08 -0.14 -0.77 -4.99 119.74 115.29 3kr5 s LYS 253 Ca 0.36 0.80 0.00 0.00 -1.36 0.00 0.00 55.97 55.78 3kr5 s LYS 253 Cb 0.25 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 3kr5 s LYS 253 CO 0.15 0.20 0.00 0.45 -0.76 0.00 0.00 175.35 175.39 3kr5 n SER 254 N 3.30 0.00 0.00 2.83 2.88 -1.26 -4.86 113.62 116.51 3kr5 n SER 254 Ca -0.04 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.57 3kr5 n SER 254 Cb 0.51 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.36 3kr5 n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kr5 n THR 255 N 0.00 0.00 -1.71 2.46 -2.24 -1.26 -3.57 114.28 107.96 3kr5 n THR 255 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3kr5 n THR 255 Cb 0.00 -0.68 0.11 0.00 -2.10 0.00 0.00 70.33 67.66 3kr5 n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr5 n ASP 256 N -0.92 1.44 -4.52 3.42 2.03 -1.26 -5.06 116.55 111.68 3kr5 n ASP 256 Ca 0.10 -2.95 -0.40 0.00 0.52 0.00 0.00 54.79 52.06 3kr5 n ASP 256 Cb 0.04 -0.40 0.03 0.00 -0.72 0.00 0.00 41.12 40.08 3kr5 n ASP 256 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kr5 n LYS 257 N -0.67 0.77 0.00 -0.67 5.02 -1.23 -5.04 118.16 116.33 3kr5 n LYS 257 Ca 0.12 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3kr5 n LYS 257 Cb 0.77 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3kr5 n LYS 257 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kr5 n ASN 258 N 0.45 0.00 0.00 4.39 2.85 -1.26 -5.12 115.26 116.57 3kr5 n ASN 258 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 3kr5 n ASN 258 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 3kr5 n ASN 258 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 3kr5 n MET 261 N 0.00 0.00 -4.22 1.20 2.81 -1.26 -5.25 117.12 110.40 3kr5 n MET 261 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 3kr5 n MET 261 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.36 3kr5 n MET 261 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3kr5 s GLU 262 N -5.41 0.56 0.06 0.03 2.02 -1.26 -5.17 118.70 109.52 3kr5 s GLU 262 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 54.85 3kr5 s GLU 262 Cb 0.00 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.65 3kr5 s GLU 262 CO 0.00 0.11 -0.18 0.71 0.02 0.00 0.00 175.26 175.92 3kr5 s TYR 263 N -0.02 2.55 0.47 1.61 2.02 -1.26 -4.69 117.35 118.03 3kr5 s TYR 263 Ca 0.01 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 3kr5 s TYR 263 Cb -0.04 -1.44 -0.11 0.00 -0.40 0.00 0.00 41.96 39.98 3kr5 s TYR 263 CO -0.00 0.28 0.66 0.44 -1.57 0.00 0.00 175.55 175.36 3kr5 n ILE 264 N 1.41 2.16 0.10 2.71 -5.35 -1.14 -4.80 119.36 114.44 3kr5 n ILE 264 Ca -0.16 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 61.87 3kr5 n ILE 264 Cb 0.52 -0.74 -0.07 0.00 -1.74 0.00 0.00 39.64 37.61 3kr5 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr5 n LYS 265 N 0.23 1.11 -4.66 6.28 5.02 0.16 -4.62 118.16 121.68 3kr5 n LYS 265 Ca 0.11 -0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 3kr5 n LYS 265 Cb 0.42 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 34.11 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kr5 s HIS 266 N -2.49 1.40 -0.18 2.13 3.76 -0.80 0.63 115.29 119.75 3kr5 s HIS 266 Ca -0.02 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3kr5 s HIS 266 Cb 0.06 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.82 3kr5 s HIS 266 CO 0.40 -0.13 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.80 3kr5 s LEU 267 N 0.07 2.20 0.32 0.89 2.96 0.15 -1.62 118.68 123.64 3kr5 s LEU 267 Ca -0.03 -0.70 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 3kr5 s LEU 267 Cb -0.10 -1.47 -0.08 0.00 0.50 0.00 0.00 46.19 45.04 3kr5 s LEU 267 CO 0.01 -0.02 0.70 -0.83 -1.32 0.00 0.00 176.35 174.90 3kr5 s GLY 268 N 1.29 2.26 -0.04 7.98 0.00 0.74 -1.20 107.32 118.35 3kr5 s GLY 268 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 3kr5 s GLY 268 CO -0.12 0.13 0.10 0.14 0.00 0.00 0.00 173.10 173.35 3kr5 s VAL 269 N -2.01 -0.04 -0.21 1.40 1.01 0.35 -2.07 120.40 118.83 3kr5 s VAL 269 Ca 0.52 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 3kr5 s VAL 269 Cb -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.12 3kr5 s VAL 269 CO 0.20 0.06 -0.12 -0.31 0.00 0.00 0.00 175.10 174.93 3kr5 s TYR 270 N 0.88 2.90 0.04 5.22 1.51 -0.32 0.11 117.35 127.70 3kr5 s TYR 270 Ca -0.07 -1.40 -0.01 0.00 -1.01 0.00 0.00 57.07 54.58 3kr5 s TYR 270 Cb -0.09 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 3kr5 s TYR 270 CO -0.04 -0.71 -0.02 -1.50 -1.11 0.00 0.00 175.55 172.18 3kr5 s ILE 271 N 1.36 0.18 -0.11 2.71 2.07 -0.85 -1.23 121.20 125.32 3kr5 s ILE 271 Ca 0.04 -1.48 -0.30 0.00 -1.41 0.00 0.00 60.65 57.51 3kr5 s ILE 271 Cb -0.14 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.32 3kr5 s ILE 271 CO -0.08 -0.82 1.24 0.20 -1.91 0.00 0.00 174.94 173.58 3kr5 s ASN 272 N -2.43 6.99 -0.75 4.50 0.01 -1.26 -1.54 114.94 120.46 3kr5 s ASN 272 Ca -0.01 1.77 -0.00 0.00 -0.71 0.00 0.00 52.86 53.91 3kr5 s ASN 272 Cb 0.02 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.13 3kr5 s ASN 272 CO -0.07 -0.68 0.63 0.59 -1.51 0.00 0.00 177.10 176.06 3kr5 n ASN 273 N 5.91 -2.15 -0.30 -1.22 3.02 -1.26 -4.96 115.26 114.30 3kr5 n ASN 273 Ca 0.13 -0.38 -0.05 0.00 -0.03 0.00 0.00 54.58 54.24 3kr5 n ASN 273 Cb 0.45 -3.37 -0.03 0.00 -0.61 0.00 0.00 39.78 36.22 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr5 n ALA 274 N -2.99 -0.33 -0.30 5.41 0.00 -1.22 -1.36 120.51 119.72 3kr5 n ALA 274 Ca -0.17 0.67 0.29 0.00 0.00 0.00 0.00 53.44 54.23 3kr5 n ALA 274 Cb 0.60 -0.19 0.64 0.00 0.00 0.00 0.00 19.45 20.50 3kr5 n ALA 274 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kr5 h ASP 275 N 0.00 0.20 -0.34 0.00 3.45 -1.93 0.62 116.42 118.42 3kr5 h ASP 275 Ca 0.17 0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.52 3kr5 h ASP 275 Cb 0.36 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3kr5 h ASP 275 CO -0.72 0.04 -0.37 0.71 -1.57 0.00 0.00 179.24 177.33 3kr5 h THR 276 N 0.17 1.27 0.00 0.35 1.35 -1.60 -3.28 112.91 111.18 3kr5 h THR 276 Ca 0.56 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3kr5 h THR 276 Cb 1.85 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3kr5 h THR 276 CO -0.14 0.52 -0.24 1.88 -0.25 0.00 0.00 175.52 177.29 3kr5 h TYR 277 N 0.73 0.00 -0.50 4.73 0.05 0.14 -3.35 116.97 118.78 3kr5 h TYR 277 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3kr5 h TYR 277 Cb 0.96 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 3kr5 h TYR 277 CO 0.06 0.00 0.31 0.87 -1.05 0.00 0.00 178.16 178.35 3kr5 h LYS 278 N 0.00 0.66 0.00 4.88 1.57 -1.19 -1.07 116.57 121.42 3kr5 h LYS 278 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 278 Cb 0.89 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3kr5 h LYS 278 CO 0.00 0.45 -0.12 0.93 -0.57 0.00 0.00 179.45 180.14 3kr5 h GLU 279 N 0.68 0.00 0.00 3.15 4.39 -1.77 -2.77 114.58 118.26 3kr5 h GLU 279 Ca 0.18 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 3kr5 h GLU 279 Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3kr5 h GLU 279 CO -0.04 0.12 -0.31 0.93 -1.16 0.00 0.00 179.01 178.56 3kr5 h GLU 280 N 0.00 0.00 0.56 2.33 4.39 -1.44 -3.32 114.58 117.10 3kr5 h GLU 280 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3kr5 h GLU 280 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3kr5 h GLU 280 CO 0.02 0.31 -0.45 0.28 -1.16 0.00 0.00 179.01 178.01 3kr5 h VAL 281 N 0.00 0.11 0.00 3.13 2.07 -1.58 0.31 116.25 120.28 3kr5 h VAL 281 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3kr5 h VAL 281 Cb 0.78 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kr5 h VAL 281 CO 0.04 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.89 3kr5 h GLU 282 N -0.99 0.00 -0.61 1.57 4.39 -1.77 -0.75 114.58 116.43 3kr5 h GLU 282 Ca -0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3kr5 h GLU 282 Cb 0.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3kr5 h GLU 282 CO 0.00 0.41 0.03 -0.22 -1.16 0.00 0.00 179.01 178.08 3kr5 h LYS 283 N 0.00 1.05 -0.68 2.33 3.64 -1.59 -1.72 116.57 119.60 3kr5 h LYS 283 Ca -0.00 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3kr5 h LYS 283 Cb 0.95 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3kr5 h LYS 283 CO 0.05 1.01 0.34 0.00 -2.27 0.00 0.00 179.45 178.58 3kr5 h ALA 284 N 1.00 0.87 -0.64 5.00 0.00 0.56 0.81 119.26 126.85 3kr5 h ALA 284 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kr5 h ALA 284 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kr5 h ALA 284 CO 0.02 0.42 0.17 -0.09 0.00 0.00 0.00 179.25 179.77 3kr5 h ARG 285 N 0.94 1.02 -0.20 0.00 2.43 -0.97 0.52 114.38 118.13 3kr5 h ARG 285 Ca 0.23 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3kr5 h ARG 285 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3kr5 h ARG 285 CO -0.03 0.92 0.02 0.28 -1.51 0.00 0.00 179.97 179.65 3kr5 h VAL 286 N 0.95 1.23 -0.75 0.20 2.07 -0.90 -1.90 116.25 117.16 3kr5 h VAL 286 Ca 0.20 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3kr5 h VAL 286 Cb 0.35 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3kr5 h VAL 286 CO 0.00 0.24 0.47 1.88 0.02 0.00 0.00 177.57 180.18 3kr5 h TYR 287 N 0.12 0.96 -0.01 1.57 -1.99 -0.47 -0.13 116.97 117.02 3kr5 h TYR 287 Ca 0.06 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.83 3kr5 h TYR 287 Cb 0.34 -0.32 -0.05 0.00 2.00 0.00 0.00 36.73 38.70 3kr5 h TYR 287 CO 0.02 0.63 -0.33 -0.92 -0.00 0.00 0.00 178.16 177.56 3kr5 h TYR 288 N 1.02 -0.92 -0.39 4.88 3.20 0.19 -0.94 116.97 124.00 3kr5 h TYR 288 Ca 0.27 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 3kr5 h TYR 288 Cb -0.08 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3kr5 h TYR 288 CO -0.02 -0.42 -0.19 0.35 -1.64 0.00 0.00 178.16 176.24 3kr5 h PHE 289 N -0.48 0.83 -0.55 -3.82 3.57 -0.83 0.74 116.94 116.40 3kr5 h PHE 289 Ca 0.06 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.41 3kr5 h PHE 289 Cb 0.57 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3kr5 h PHE 289 CO -0.36 0.87 0.33 0.78 -2.23 0.00 0.00 178.31 177.70 3kr5 h GLY 290 N 0.97 0.78 0.91 2.40 0.00 -0.71 0.79 103.07 108.21 3kr5 h GLY 290 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 3kr5 h GLY 290 CO 0.05 0.21 -0.05 -0.84 0.00 0.00 0.00 176.54 175.90 3kr5 h THR 291 N 0.65 1.27 -0.51 4.70 2.02 0.03 -1.21 112.91 119.86 3kr5 h THR 291 Ca 0.22 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 3kr5 h THR 291 Cb 0.02 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3kr5 h THR 291 CO -0.10 0.35 0.00 0.22 0.37 0.00 0.00 175.52 176.37 3kr5 h TYR 292 N 0.40 0.91 -0.56 3.16 3.20 0.98 -0.24 116.97 124.82 3kr5 h TYR 292 Ca 0.09 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3kr5 h TYR 292 Cb 0.54 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3kr5 h TYR 292 CO 0.05 0.83 0.15 -0.92 -1.64 0.00 0.00 178.16 176.62 3kr5 h TYR 293 N 0.79 0.92 -0.50 -3.82 3.20 0.81 0.29 116.97 118.66 3kr5 h TYR 293 Ca 0.15 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3kr5 h TYR 293 Cb 0.47 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3kr5 h TYR 293 CO 0.03 0.79 0.24 0.00 -1.64 0.00 0.00 178.16 177.58 3kr5 h ALA 294 N 1.02 0.65 -0.30 1.82 0.00 -0.83 -1.97 119.26 119.65 3kr5 h ALA 294 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kr5 h ALA 294 Cb 0.33 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3kr5 h ALA 294 CO -0.00 0.22 -0.01 1.03 0.00 0.00 0.00 179.25 180.49 3kr5 h SER 295 N 0.67 -0.14 -0.73 0.00 0.87 -0.67 -0.29 113.55 113.26 3kr5 h SER 295 Ca 0.17 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.90 3kr5 h SER 295 Cb 0.12 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 3kr5 h SER 295 CO -0.02 -0.03 0.37 1.56 -0.53 0.00 0.00 176.83 178.17 3kr5 h GLN 296 N 0.08 0.60 -0.36 2.24 4.20 -0.03 -0.06 115.11 121.78 3kr5 h GLN 296 Ca 0.14 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3kr5 h GLN 296 Cb 0.20 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3kr5 h GLN 296 CO -0.25 0.40 0.06 -0.07 -0.67 0.00 0.00 178.83 178.30 3kr5 h LEU 297 N 0.62 0.56 0.16 1.46 3.38 -0.59 -1.41 115.31 119.49 3kr5 h LEU 297 Ca 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kr5 h LEU 297 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 297 CO -0.27 0.67 -0.08 0.40 0.09 0.00 0.00 178.44 179.25 3kr5 h ILE 298 N 0.43 0.94 -0.32 1.22 2.04 -0.67 -2.74 117.51 118.41 3kr5 h ILE 298 Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3kr5 h ILE 298 Cb 0.35 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3kr5 h ILE 298 CO 0.01 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.48 3kr5 h ALA 299 N 0.35 1.82 -2.37 1.87 0.00 -1.04 -3.40 119.26 116.49 3kr5 h ALA 299 Ca -0.02 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 3kr5 h ALA 299 Cb 0.35 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 18.07 3kr5 h ALA 299 CO 0.04 0.15 0.97 0.00 0.00 0.00 0.00 179.25 180.41 3kr5 n ALA 300 N -2.50 1.81 -1.12 0.00 0.00 -0.53 -4.90 120.51 113.27 3kr5 n ALA 300 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3kr5 n ALA 300 Cb 0.10 -2.48 0.14 0.00 0.00 0.00 0.00 19.45 17.21 3kr5 n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kr5 s PRO 301 N 1.97 1.29 0.49 0.00 0.02 -1.26 -4.52 135.00 132.98 3kr5 s PRO 301 Ca 0.81 0.97 0.27 0.00 0.02 0.00 0.00 61.00 63.08 3kr5 s PRO 301 Cb -0.59 -1.80 1.17 0.00 0.02 0.00 0.00 34.50 33.30 3kr5 s PRO 301 CO 0.39 -2.26 1.93 0.77 -0.33 0.00 0.00 177.00 177.49 3kr5 h SER 302 N -1.57 0.00 0.44 2.53 0.02 -1.80 0.28 113.55 113.45 3kr5 h SER 302 Ca -0.48 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.39 3kr5 h SER 302 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3kr5 h SER 302 CO 0.52 0.15 -0.35 -0.55 -1.14 0.00 0.00 176.83 175.46 3kr5 h ASN 303 N 0.00 0.00 0.00 3.07 -1.07 -1.92 -3.30 115.58 112.36 3kr5 h ASN 303 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 3kr5 h ASN 303 Cb 0.59 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.82 3kr5 h ASN 303 CO 0.02 0.35 -0.88 1.88 0.07 0.00 0.00 177.43 178.87 3kr5 h TYR 304 N 0.00 0.00 -3.10 4.14 0.05 -1.51 -3.39 116.97 113.16 3kr5 h TYR 304 Ca -0.00 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.02 3kr5 h TYR 304 Cb 0.67 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.17 3kr5 h TYR 304 CO 0.00 1.09 -0.16 0.00 -1.05 0.00 0.00 178.16 178.04 3kr5 s ASN 306 N 3.53 3.51 0.31 0.00 2.20 -1.24 -4.27 114.94 118.98 3kr5 s ASN 306 Ca 0.05 -1.56 0.04 0.00 -0.94 0.00 0.00 52.86 50.45 3kr5 s ASN 306 Cb -0.28 0.22 0.64 0.00 -2.00 0.00 0.00 41.25 39.83 3kr5 s ASN 306 CO 0.03 -0.74 1.86 -0.65 -2.94 0.00 0.00 177.10 174.65 3kr5 h PRO 307 N 1.66 0.88 -0.01 3.55 0.11 -1.87 0.46 132.00 136.77 3kr5 h PRO 307 Ca -0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kr5 h PRO 307 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kr5 h PRO 307 CO 0.71 0.58 -0.02 0.28 -0.21 0.00 0.00 178.00 179.34 3kr5 h VAL 308 N 0.90 1.50 -0.34 3.15 2.07 -1.93 -2.31 116.25 119.29 3kr5 h VAL 308 Ca 0.47 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 3kr5 h VAL 308 Cb 0.53 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3kr5 h VAL 308 CO -0.23 0.40 -0.26 0.77 0.02 0.00 0.00 177.57 178.27 3kr5 h SER 309 N -0.60 0.70 0.08 0.57 4.64 -1.78 -0.35 113.55 116.82 3kr5 h SER 309 Ca -0.00 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3kr5 h SER 309 Cb 0.66 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kr5 h SER 309 CO 0.01 0.93 -0.04 0.25 -0.87 0.00 0.00 176.83 177.11 3kr5 h LEU 310 N 0.60 -0.09 -0.97 5.97 6.46 -0.15 -0.01 115.31 127.12 3kr5 h LEU 310 Ca 0.08 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3kr5 h LEU 310 Cb 0.75 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 3kr5 h LEU 310 CO 0.06 -0.01 0.49 0.77 -0.62 0.00 0.00 178.44 179.13 3kr5 h SER 311 N -0.16 1.09 -0.56 1.25 4.64 -1.30 -0.54 113.55 117.97 3kr5 h SER 311 Ca -0.01 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3kr5 h SER 311 Cb 0.13 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.89 3kr5 h SER 311 CO 0.02 0.86 0.27 0.78 -0.87 0.00 0.00 176.83 177.89 3kr5 h ASN 312 N 1.23 0.36 -0.79 4.97 2.35 -0.78 0.09 115.58 123.01 3kr5 h ASN 312 Ca 0.31 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3kr5 h ASN 312 Cb 0.01 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3kr5 h ASN 312 CO -0.05 0.24 0.41 0.00 -1.65 0.00 0.00 177.43 176.37 3kr5 h ALA 313 N 1.32 1.21 -0.30 -0.83 0.00 -0.09 -0.20 119.26 120.36 3kr5 h ALA 313 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kr5 h ALA 313 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kr5 h ALA 313 CO -0.20 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.82 3kr5 h ALA 314 N 1.32 0.39 -0.44 0.00 0.00 -0.37 0.13 119.26 120.30 3kr5 h ALA 314 Ca 0.28 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3kr5 h ALA 314 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kr5 h ALA 314 CO -0.04 -0.05 0.17 0.28 0.00 0.00 0.00 179.25 179.61 3kr5 h VAL 315 N 0.36 0.89 -0.18 0.00 2.07 -0.30 0.18 116.25 119.27 3kr5 h VAL 315 Ca 0.11 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3kr5 h VAL 315 Cb 0.11 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3kr5 h VAL 315 CO -0.01 0.06 0.04 -0.08 0.02 0.00 0.00 177.57 177.61 3kr5 h GLU 316 N 0.36 0.12 -0.58 1.57 4.81 -0.75 0.29 114.58 120.40 3kr5 h GLU 316 Ca 0.20 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3kr5 h GLU 316 Cb 0.17 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3kr5 h GLU 316 CO -0.19 0.08 0.38 1.25 -0.73 0.00 0.00 179.01 179.80 3kr5 h LEU 317 N 0.12 0.65 -0.94 1.64 5.85 -0.17 -1.04 115.31 121.42 3kr5 h LEU 317 Ca 0.08 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3kr5 h LEU 317 Cb 0.06 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3kr5 h LEU 317 CO -0.10 0.46 0.61 0.00 -0.34 0.00 0.00 178.44 179.08 3kr5 h ALA 318 N 1.22 1.23 -0.50 1.25 0.00 -0.32 -1.54 119.26 120.60 3kr5 h ALA 318 Ca 0.22 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3kr5 h ALA 318 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3kr5 h ALA 318 CO -0.06 0.50 -0.17 1.96 0.00 0.00 0.00 179.25 181.49 3kr5 h GLN 319 N 1.20 1.00 0.00 0.00 4.20 -0.37 0.38 115.11 121.52 3kr5 h GLN 319 Ca 0.37 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3kr5 h GLN 319 Cb -0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kr5 h GLN 319 CO -0.11 1.09 -0.22 0.87 -0.67 0.00 0.00 178.83 179.79 3kr5 h LYS 320 N 0.86 0.00 -0.29 1.46 1.57 -0.90 -3.11 116.57 116.16 3kr5 h LYS 320 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kr5 h LYS 320 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kr5 h LYS 320 CO 0.06 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.44 3kr5 n LEU 321 N -3.77 3.04 -3.22 2.94 4.77 -0.61 -4.96 117.00 115.19 3kr5 n LEU 321 Ca -0.02 -1.48 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 3kr5 n LEU 321 Cb 0.32 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3kr5 n LEU 321 CO 0.34 0.66 0.02 0.59 -1.33 0.00 0.00 177.39 177.67 3kr5 n ASN 322 N 1.13 -5.52 -4.87 -1.43 3.02 -0.30 -4.91 115.26 102.38 3kr5 n ASN 322 Ca 0.15 -0.37 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 3kr5 n ASN 322 Cb 0.51 -4.46 -0.05 0.00 -0.61 0.00 0.00 39.78 35.17 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kr5 s LEU 323 N -6.75 4.27 0.36 3.41 1.43 -0.03 -5.01 118.68 116.35 3kr5 s LEU 323 Ca 0.38 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 3kr5 s LEU 323 Cb -0.18 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 3kr5 s LEU 323 CO 0.47 0.06 1.22 -1.61 0.23 0.00 0.00 176.35 176.72 3kr5 s GLU 324 N -2.36 4.24 -0.00 1.70 2.02 -0.66 -4.57 118.70 119.07 3kr5 s GLU 324 Ca 0.40 1.99 -0.08 0.00 0.02 0.00 0.00 54.97 57.30 3kr5 s GLU 324 Cb -0.13 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.21 3kr5 s GLU 324 CO 0.21 -0.21 0.15 1.52 0.02 0.00 0.00 175.26 176.95 3kr5 s TYR 325 N -1.27 0.02 -0.09 1.61 -0.85 -1.26 0.10 117.35 115.61 3kr5 s TYR 325 Ca 0.52 -0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.94 3kr5 s TYR 325 Cb -0.35 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.00 3kr5 s TYR 325 CO 0.45 -0.29 0.22 0.21 -1.52 0.00 0.00 175.55 174.62 3kr5 s LYS 326 N -1.34 0.19 -0.25 -3.49 2.20 0.12 -4.99 119.74 112.18 3kr5 s LYS 326 Ca -0.14 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 3kr5 s LYS 326 Cb -0.07 -0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 3kr5 s LYS 326 CO 0.02 -0.14 -0.01 0.42 -0.36 0.00 0.00 175.35 175.28 3kr5 s ILE 327 N 1.02 3.40 -0.22 5.43 -1.09 -1.26 -0.84 121.20 127.63 3kr5 s ILE 327 Ca -0.07 -0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 57.36 3kr5 s ILE 327 Cb -0.09 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 3kr5 s ILE 327 CO -0.06 0.23 0.80 -0.76 -1.23 0.00 0.00 174.94 173.91 3kr5 s LEU 328 N 1.43 4.11 0.62 2.97 1.02 -0.06 -4.87 118.68 123.90 3kr5 s LEU 328 Ca 0.03 1.03 0.03 0.00 0.02 0.00 0.00 54.13 55.23 3kr5 s LEU 328 Cb -0.16 -3.15 0.09 0.00 0.02 0.00 0.00 46.19 42.98 3kr5 s LEU 328 CO -0.02 -0.46 0.86 -0.83 0.02 0.00 0.00 176.35 175.92 3kr5 s GLY 329 N 1.30 1.79 0.22 -3.19 0.00 -1.26 -0.65 107.32 105.52 3kr5 s GLY 329 Ca 0.34 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.27 3kr5 s GLY 329 CO 0.09 -1.27 1.70 -2.08 0.00 0.00 0.00 173.10 171.53 3kr5 h VAL 330 N -0.13 0.60 -0.29 1.40 2.07 -1.95 -0.60 116.25 117.35 3kr5 h VAL 330 Ca -0.37 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3kr5 h VAL 330 Cb 1.28 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3kr5 h VAL 330 CO 0.44 0.05 0.04 0.50 0.02 0.00 0.00 177.57 178.61 3kr5 h LYS 331 N 0.27 0.13 -0.50 1.57 3.64 -1.95 0.13 116.57 119.86 3kr5 h LYS 331 Ca 0.35 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3kr5 h LYS 331 Cb 0.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3kr5 h LYS 331 CO -0.44 0.09 -0.17 1.49 -2.27 0.00 0.00 179.45 178.15 3kr5 h GLU 332 N 0.13 0.99 -0.63 1.90 4.81 -1.65 -1.44 114.58 118.69 3kr5 h GLU 332 Ca 0.14 -0.39 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 3kr5 h GLU 332 Cb 0.16 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3kr5 h GLU 332 CO -0.20 1.07 0.35 -0.07 -0.73 0.00 0.00 179.01 179.43 3kr5 h LEU 333 N 0.86 0.53 -0.21 1.64 3.38 -0.57 0.43 115.31 121.37 3kr5 h LEU 333 Ca 0.12 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kr5 h LEU 333 Cb 0.73 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3kr5 h LEU 333 CO 0.06 0.36 0.10 -0.33 0.09 0.00 0.00 178.44 178.71 3kr5 h GLU 334 N 0.67 0.21 -0.68 1.13 5.08 -0.53 -1.11 114.58 119.34 3kr5 h GLU 334 Ca 0.27 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3kr5 h GLU 334 Cb 0.14 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3kr5 h GLU 334 CO -0.16 0.14 0.45 1.49 -1.00 0.00 0.00 179.01 179.93 3kr5 h GLU 335 N 0.22 0.74 -0.00 2.33 4.57 -0.93 0.61 114.58 122.11 3kr5 h GLU 335 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3kr5 h GLU 335 Cb 0.02 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3kr5 h GLU 335 CO -0.06 0.49 -0.02 1.28 -1.18 0.00 0.00 179.01 179.51 3kr5 n LEU 336 N -4.47 0.47 -3.06 1.64 4.77 0.11 -4.92 117.00 111.55 3kr5 n LEU 336 Ca 0.09 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 3kr5 n LEU 336 Cb 0.18 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3kr5 n LEU 336 CO 0.34 0.08 0.14 0.29 -1.33 0.00 0.00 177.39 176.91 3kr5 n LYS 337 N -0.71 -6.11 -1.80 3.23 5.02 0.21 -4.68 118.16 113.32 3kr5 n LYS 337 Ca 0.20 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.85 3kr5 n LYS 337 Cb 0.21 -5.51 -0.01 0.00 -0.02 0.00 0.00 35.03 29.71 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -4.21 3.35 0.17 1.97 2.81 -0.74 -1.70 117.12 118.76 3kr5 n MET 338 Ca -0.03 -2.80 0.04 0.00 -1.81 0.00 0.00 57.70 53.10 3kr5 n MET 338 Cb 0.57 -3.05 0.23 0.00 -0.71 0.00 0.00 33.22 30.26 3kr5 n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kr5 h GLY 339 N 8.51 0.00 0.65 3.03 0.00 -1.75 0.04 103.07 113.55 3kr5 h GLY 339 Ca 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 3kr5 h GLY 339 CO 1.78 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 178.11 3kr5 h ALA 340 N 1.54 0.14 0.10 3.60 0.00 -1.83 -1.05 119.26 121.76 3kr5 h ALA 340 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3kr5 h ALA 340 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kr5 h ALA 340 CO 0.06 0.09 -0.05 -0.92 0.00 0.00 0.00 179.25 178.43 3kr5 h TYR 341 N -0.18 -0.13 0.00 0.00 3.20 -1.60 -2.93 116.97 115.32 3kr5 h TYR 341 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3kr5 h TYR 341 Cb 0.80 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 3kr5 h TYR 341 CO 0.12 0.05 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.48 3kr5 h LEU 342 N -0.29 0.00 -0.47 2.82 3.38 -1.03 -2.60 115.31 117.13 3kr5 h LEU 342 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3kr5 h LEU 342 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kr5 h LEU 342 CO 0.02 0.14 -0.08 0.28 0.09 0.00 0.00 178.44 178.89 3kr5 h SER 343 N 0.00 0.87 -0.63 -0.43 0.02 -1.01 -2.43 113.55 109.94 3kr5 h SER 343 Ca -0.00 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.67 3kr5 h SER 343 Cb 0.26 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3kr5 h SER 343 CO 0.02 1.01 0.32 0.58 -1.14 0.00 0.00 176.83 177.62 3kr5 h VAL 344 N 0.72 0.91 -0.00 2.27 2.07 -1.35 -2.47 116.25 118.40 3kr5 h VAL 344 Ca 0.12 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kr5 h VAL 344 Cb 0.61 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3kr5 h VAL 344 CO 0.04 0.11 -0.09 0.61 0.02 0.00 0.00 177.57 178.26 3kr5 n GLY 345 N -1.28 -1.44 0.31 2.17 0.00 -1.11 -4.13 105.19 99.72 3kr5 n GLY 345 Ca 0.08 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3kr5 n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kr5 h LYS 346 N 0.01 0.44 0.00 1.61 1.57 -0.95 0.17 116.57 119.42 3kr5 h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kr5 h LYS 346 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3kr5 h LYS 346 CO 0.00 0.29 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 3kr5 n GLY 347 N -1.33 -0.97 3.89 3.86 0.00 -1.23 -4.54 105.19 104.86 3kr5 n GLY 347 Ca 0.21 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3kr5 n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr5 s SER 348 N -2.27 6.54 0.19 1.61 0.15 0.58 -4.52 113.70 115.99 3kr5 s SER 348 Ca 0.33 0.82 0.26 0.00 0.70 0.00 0.00 55.95 58.05 3kr5 s SER 348 Cb 0.18 -2.18 0.78 0.00 -1.71 0.00 0.00 66.02 63.08 3kr5 s SER 348 CO 0.35 -0.12 1.74 1.15 1.20 0.00 0.00 173.24 177.55 3kr5 n MET 349 N -0.46 0.26 -3.49 5.44 0.00 -1.26 -4.68 117.12 112.93 3kr5 n MET 349 Ca -0.01 0.19 -0.38 0.00 0.00 0.00 0.00 57.70 57.51 3kr5 n MET 349 Cb 0.53 -1.78 -0.09 0.00 0.00 0.00 0.00 33.22 31.87 3kr5 n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kr5 s TYR 350 N -3.10 3.29 0.47 3.17 1.51 -1.26 -4.91 117.35 116.52 3kr5 s TYR 350 Ca 0.10 0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 56.29 3kr5 s TYR 350 Cb 0.13 -2.46 -0.07 0.00 -0.11 0.00 0.00 41.96 39.45 3kr5 s TYR 350 CO 0.61 -0.10 1.33 -2.14 -1.11 0.00 0.00 175.55 174.15 3kr5 s PRO 351 N 1.60 3.61 0.39 -1.71 0.02 -1.26 -4.76 135.00 132.89 3kr5 s PRO 351 Ca 0.13 2.20 -0.26 0.00 0.02 0.00 0.00 61.00 63.09 3kr5 s PRO 351 Cb -0.15 -2.53 -0.11 0.00 0.02 0.00 0.00 34.50 31.73 3kr5 s PRO 351 CO 0.08 -0.80 1.17 0.09 -0.33 0.00 0.00 177.00 177.21 3kr5 n ASN 352 N -0.40 2.07 -3.80 2.53 4.13 -1.26 -4.52 115.26 114.01 3kr5 n ASN 352 Ca 0.07 1.11 -0.22 0.00 1.68 0.00 0.00 54.58 57.22 3kr5 n ASN 352 Cb 0.44 -1.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.08 3kr5 n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kr5 s LYS 353 N -2.02 0.65 -0.29 3.52 -0.14 -0.68 -3.95 119.74 116.84 3kr5 s LYS 353 Ca 0.60 0.06 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 3kr5 s LYS 353 Cb -0.56 -0.92 -0.05 0.00 -1.68 0.00 0.00 37.83 34.63 3kr5 s LYS 353 CO 0.59 -0.25 0.21 0.12 -0.76 0.00 0.00 175.35 175.26 3kr5 s PHE 354 N 1.69 3.22 -0.19 3.18 2.19 0.17 -1.00 117.98 127.25 3kr5 s PHE 354 Ca 0.01 0.11 -0.16 0.00 0.33 0.00 0.00 56.93 57.21 3kr5 s PHE 354 Cb -0.13 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 3kr5 s PHE 354 CO -0.04 -0.18 0.42 0.42 1.83 0.00 0.00 175.22 177.67 3kr5 s ILE 355 N 1.78 5.19 -0.29 3.12 1.01 0.18 -0.88 121.20 131.30 3kr5 s ILE 355 Ca 0.07 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.50 3kr5 s ILE 355 Cb -0.16 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.65 3kr5 s ILE 355 CO 0.11 0.26 0.05 -2.28 0.00 0.00 0.00 174.94 173.08 3kr5 s HIS 356 N 1.22 2.31 -0.04 3.97 2.46 -0.02 -1.09 115.29 124.11 3kr5 s HIS 356 Ca 0.21 -2.00 -0.01 0.00 0.47 0.00 0.00 55.06 53.73 3kr5 s HIS 356 Cb -0.15 -1.94 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 3kr5 s HIS 356 CO 0.08 -0.86 0.04 -0.51 -2.47 0.00 0.00 174.74 171.02 3kr5 s LEU 357 N 1.41 3.73 -0.06 8.88 1.02 0.10 0.14 118.68 133.90 3kr5 s LEU 357 Ca 0.06 0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.34 3kr5 s LEU 357 Cb -0.18 -2.04 0.02 0.00 0.02 0.00 0.00 46.19 44.01 3kr5 s LEU 357 CO -0.16 0.32 -0.05 -0.89 0.02 0.00 0.00 176.35 175.59 3kr5 s THR 358 N -1.06 0.62 -0.20 5.49 2.01 0.11 0.11 115.64 122.73 3kr5 s THR 358 Ca 0.18 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3kr5 s THR 358 Cb -0.12 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 3kr5 s THR 358 CO 0.09 0.26 0.03 -0.47 -0.69 0.00 0.00 174.62 173.83 3kr5 s TYR 359 N 1.15 3.11 -0.09 4.92 5.04 0.74 -1.65 117.35 130.56 3kr5 s TYR 359 Ca -0.07 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.33 3kr5 s TYR 359 Cb -0.14 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 3kr5 s TYR 359 CO -0.01 -0.12 -0.20 0.21 -1.34 0.00 0.00 175.55 174.09 3kr5 s LYS 360 N 0.86 2.97 0.72 4.97 2.20 -1.26 -0.00 119.74 130.20 3kr5 s LYS 360 Ca 0.02 -0.82 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 3kr5 s LYS 360 Cb -0.14 -2.36 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 3kr5 s LYS 360 CO 0.02 0.28 1.13 -1.12 -0.36 0.00 0.00 175.35 175.31 3kr5 s SER 361 N 0.12 4.57 0.07 1.43 0.01 -0.04 -4.98 113.70 114.87 3kr5 s SER 361 Ca -0.10 2.07 -0.20 0.00 1.31 0.00 0.00 55.95 59.02 3kr5 s SER 361 Cb -0.16 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 3kr5 s SER 361 CO 0.06 -2.00 1.52 0.07 0.41 0.00 0.00 173.24 173.30 3kr5 h LYS 362 N -0.45 0.30 0.00 12.44 -0.00 -1.90 -3.47 116.57 123.49 3kr5 h LYS 362 Ca -0.46 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.10 3kr5 h LYS 362 Cb 1.26 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 3kr5 h LYS 362 CO 0.51 0.49 0.00 0.41 -0.00 0.00 0.00 179.45 180.86 3kr5 n GLY 363 N -0.37 -1.63 3.75 0.07 0.00 -1.26 -4.96 105.19 100.79 3kr5 n GLY 363 Ca -0.05 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 3kr5 n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kr5 s ASP 364 N -1.32 6.51 -0.28 1.61 1.47 -1.26 -4.80 116.67 118.60 3kr5 s ASP 364 Ca 0.00 2.82 -0.23 0.00 1.18 0.00 0.00 52.55 56.32 3kr5 s ASP 364 Cb 0.00 -2.63 -0.01 0.00 -0.34 0.00 0.00 42.92 39.94 3kr5 s ASP 364 CO 0.00 -0.81 0.75 -0.69 0.68 0.00 0.00 175.17 175.10 3kr5 s VAL 365 N -0.05 4.86 -0.06 2.11 1.01 -1.26 -3.76 120.40 123.25 3kr5 s VAL 365 Ca 0.61 1.24 0.17 0.00 0.00 0.00 0.00 61.98 64.00 3kr5 s VAL 365 Cb -0.45 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 31.59 3kr5 s VAL 365 CO 0.46 -0.13 0.39 0.29 0.00 0.00 0.00 175.10 176.11 3kr5 n LYS 366 N 6.01 0.56 -3.73 2.72 5.02 0.59 -4.96 118.16 124.37 3kr5 n LYS 366 Ca 0.03 -0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 3kr5 n LYS 366 Cb 0.48 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 3kr5 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr5 s LYS 367 N -3.17 0.09 -0.18 1.97 2.47 -0.92 -5.04 119.74 114.96 3kr5 s LYS 367 Ca -0.06 0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 54.75 3kr5 s LYS 367 Cb 0.11 -0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.27 3kr5 s LYS 367 CO 0.71 -0.19 -0.08 0.15 0.16 0.00 0.00 175.35 176.10 3kr5 s LYS 368 N 1.41 3.42 -0.06 4.03 1.02 -1.26 -0.83 119.74 127.47 3kr5 s LYS 368 Ca -0.07 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.33 3kr5 s LYS 368 Cb -0.12 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3kr5 s LYS 368 CO -0.06 0.02 -0.17 0.42 -0.92 0.00 0.00 175.35 174.64 3kr5 s ILE 369 N 0.89 1.47 -0.29 2.17 1.01 0.71 0.27 121.20 127.43 3kr5 s ILE 369 Ca -0.02 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3kr5 s ILE 369 Cb -0.15 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 3kr5 s ILE 369 CO 0.01 0.43 0.09 0.00 0.00 0.00 0.00 174.94 175.47 3kr5 s ALA 370 N 0.27 3.13 -0.29 9.38 0.00 0.18 -0.02 121.76 134.41 3kr5 s ALA 370 Ca -0.10 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 3kr5 s ALA 370 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3kr5 s ALA 370 CO 0.04 -0.84 0.21 -0.51 0.00 0.00 0.00 175.76 174.66 3kr5 s LEU 371 N 1.54 4.14 -0.17 0.00 1.43 0.93 -0.98 118.68 125.57 3kr5 s LEU 371 Ca 0.04 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3kr5 s LEU 371 Cb -0.17 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 3kr5 s LEU 371 CO 0.03 -0.10 -0.09 -0.69 0.23 0.00 0.00 176.35 175.73 3kr5 s VAL 372 N 1.77 3.21 -0.05 -1.59 1.01 0.15 0.06 120.40 124.95 3kr5 s VAL 372 Ca 0.07 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3kr5 s VAL 372 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kr5 s VAL 372 CO 0.11 0.48 -0.16 -0.83 0.00 0.00 0.00 175.10 174.70 3kr5 s GLY 373 N 0.84 1.49 0.07 4.51 0.00 0.39 0.35 107.32 114.98 3kr5 s GLY 373 Ca -0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 3kr5 s GLY 373 CO 0.01 -0.72 1.59 1.25 0.00 0.00 0.00 173.10 175.23 3kr5 s LYS 374 N -0.57 4.22 -0.46 2.90 2.20 -0.52 -4.05 119.74 123.46 3kr5 s LYS 374 Ca 0.08 2.27 0.08 0.00 -0.36 0.00 0.00 55.97 58.03 3kr5 s LYS 374 Cb -0.11 -3.53 0.39 0.00 -1.51 0.00 0.00 37.83 33.07 3kr5 s LYS 374 CO 0.01 -0.68 1.00 0.41 -0.36 0.00 0.00 175.35 175.72 3kr5 n GLY 375 N 3.89 5.01 3.54 5.54 0.00 -1.25 -0.99 105.19 120.93 3kr5 n GLY 375 Ca 0.15 -2.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 3kr5 n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr5 s ILE 376 N -4.54 4.42 0.07 -0.61 -1.09 -0.81 -1.36 121.20 117.28 3kr5 s ILE 376 Ca 0.45 0.45 0.16 0.00 -2.23 0.00 0.00 60.65 59.47 3kr5 s ILE 376 Cb 0.36 -4.50 0.06 0.00 -1.58 0.00 0.00 42.46 36.81 3kr5 s ILE 376 CO -0.13 -1.00 1.59 0.71 -1.23 0.00 0.00 174.94 174.87 3kr5 h THR 377 N 6.04 1.01 -2.73 2.92 1.35 -1.32 -1.63 112.91 118.55 3kr5 h THR 377 Ca -0.25 -1.98 -0.12 0.00 -0.55 0.00 0.00 66.41 63.50 3kr5 h THR 377 Cb 1.07 2.20 -0.25 0.00 -1.73 0.00 0.00 68.15 69.44 3kr5 h THR 377 CO 1.06 0.49 -0.27 0.12 -0.25 0.00 0.00 175.52 176.67 3kr5 s PHE 378 N -3.31 -0.50 -0.43 4.73 5.36 -1.26 -4.34 117.98 118.24 3kr5 s PHE 378 Ca 0.01 1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 3kr5 s PHE 378 Cb 0.10 0.19 0.12 0.00 -0.34 0.00 0.00 43.02 43.08 3kr5 s PHE 378 CO 0.72 -0.26 0.20 0.34 -1.46 0.00 0.00 175.22 174.76 3kr5 s ASP 379 N 0.67 5.07 0.23 6.13 2.15 -1.18 -0.68 116.67 129.05 3kr5 s ASP 379 Ca -0.04 -2.23 0.26 0.00 0.43 0.00 0.00 52.55 50.97 3kr5 s ASP 379 Cb -0.05 -1.77 0.76 0.00 -0.30 0.00 0.00 42.92 41.57 3kr5 s ASP 379 CO -0.05 -0.46 1.76 0.77 -0.17 0.00 0.00 175.17 177.02 3kr5 h SER 380 N 7.71 0.00 0.00 -0.34 4.64 -1.36 -3.45 113.55 120.74 3kr5 h SER 380 Ca -0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kr5 h SER 380 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kr5 h SER 380 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 3kr5 n GLY 381 N 1.29 1.88 7.00 -0.77 0.00 -1.26 -0.86 105.19 112.48 3kr5 n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -2.00 0.77 0.29 -0.02 0.00 -1.26 -2.31 105.19 100.66 3kr5 n GLY 382 Ca 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.37 3kr5 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr5 h TYR 383 N 0.00 0.01 0.00 1.61 0.05 -1.82 -0.43 116.97 116.40 3kr5 h TYR 383 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3kr5 h TYR 383 Cb 0.00 -0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.76 3kr5 h TYR 383 CO 0.00 0.01 3.72 0.09 -1.05 0.00 0.00 178.16 180.92 3kr5 n ASN 384 N -4.50 8.24 -4.60 3.88 4.13 -1.20 -4.97 115.26 116.23 3kr5 n ASN 384 Ca -0.00 -2.55 -0.43 0.00 1.68 0.00 0.00 54.58 53.28 3kr5 n ASN 384 Cb 0.20 -1.52 -0.00 0.00 -1.54 0.00 0.00 39.78 36.92 3kr5 n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kr5 n LEU 385 N 3.73 2.19 -4.57 3.41 7.94 -0.17 -4.47 117.00 125.06 3kr5 n LEU 385 Ca 0.75 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 56.41 3kr5 n LEU 385 Cb 0.23 -1.32 -0.04 0.00 0.53 0.00 0.00 43.42 42.81 3kr5 n LEU 385 CO 0.85 -1.45 1.59 -0.54 -1.11 0.00 0.00 177.39 176.73 3kr5 s LYS 386 N -1.78 3.09 -0.01 1.96 1.02 -0.04 -4.51 119.74 119.47 3kr5 s LYS 386 Ca 0.60 -1.20 0.05 0.00 0.02 0.00 0.00 55.97 55.45 3kr5 s LYS 386 Cb -0.62 -5.30 -0.08 0.00 -0.52 0.00 0.00 37.83 31.31 3kr5 s LYS 386 CO 0.59 -3.10 0.15 0.00 -0.92 0.00 0.00 175.35 172.06 3kr5 n ALA 387 N 11.79 2.34 -1.77 5.17 0.00 -1.26 -4.65 120.51 132.13 3kr5 n ALA 387 Ca 0.43 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 3kr5 n ALA 387 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -2.12 2.89 0.30 0.00 0.00 -1.26 -4.96 121.76 116.61 3kr5 s ALA 388 Ca -0.01 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 3kr5 s ALA 388 Cb 0.04 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 3kr5 s ALA 388 CO 0.22 -0.80 1.47 -2.30 0.00 0.00 0.00 175.76 174.35 3kr5 n PRO 389 N -0.72 2.39 -0.99 0.00 -0.02 -1.26 -2.14 135.00 132.26 3kr5 n PRO 389 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3kr5 n PRO 389 Cb 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3kr5 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 390 N 1.66 0.63 0.08 -1.23 0.00 -1.26 -4.89 105.19 100.18 3kr5 n GLY 390 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3kr5 n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 391 N -0.05 0.56 -3.83 1.61 3.41 -0.91 -4.94 113.62 109.47 3kr5 n SER 391 Ca 0.00 0.56 -0.24 0.00 -0.26 0.00 0.00 58.87 58.93 3kr5 n SER 391 Cb 0.02 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 3kr5 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr5 n MET 392 N -2.03 -3.87 0.04 4.33 2.81 -1.26 -4.86 117.12 112.28 3kr5 n MET 392 Ca 0.06 0.50 0.19 0.00 -1.81 0.00 0.00 57.70 56.63 3kr5 n MET 392 Cb 0.38 -4.79 0.69 0.00 -0.71 0.00 0.00 33.22 28.79 3kr5 n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kr5 h ILE 393 N -1.85 0.75 0.00 2.02 2.10 -1.92 -1.69 117.51 116.92 3kr5 h ILE 393 Ca -0.62 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3kr5 h ILE 393 Cb 1.37 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3kr5 h ILE 393 CO 0.59 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.76 3kr5 n ASP 394 N -4.37 0.24 -0.04 2.19 5.75 -1.26 -2.10 116.55 116.95 3kr5 n ASP 394 Ca 0.08 0.55 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 3kr5 n ASP 394 Cb 0.54 -0.60 0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3kr5 n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kr5 n LEU 395 N -1.75 0.90 0.00 -2.12 7.94 -0.64 -4.61 117.00 116.72 3kr5 n LEU 395 Ca 0.04 -0.34 0.08 0.00 -1.11 0.00 0.00 56.01 54.68 3kr5 n LEU 395 Cb 0.22 -0.09 0.48 0.00 0.53 0.00 0.00 43.42 44.57 3kr5 n LEU 395 CO 0.18 0.21 0.71 0.23 -1.11 0.00 0.00 177.39 177.61 3kr5 n MET 396 N -1.38 0.47 0.23 1.96 2.81 -0.89 -0.62 117.12 119.69 3kr5 n MET 396 Ca 0.05 0.03 0.16 0.00 -1.81 0.00 0.00 57.70 56.12 3kr5 n MET 396 Cb 0.34 -1.50 0.77 0.00 -0.71 0.00 0.00 33.22 32.12 3kr5 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr5 h LYS 397 N 0.00 0.00 -0.06 0.03 2.10 -1.82 -2.70 116.57 114.12 3kr5 h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kr5 h LYS 397 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3kr5 h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kr5 n PHE 398 N -2.62 0.06 1.67 0.07 -0.00 0.21 -3.91 117.46 112.93 3kr5 n PHE 398 Ca -0.01 -0.03 0.04 0.00 -0.00 0.00 0.00 57.45 57.45 3kr5 n PHE 398 Cb 0.12 0.00 0.24 0.00 -0.00 0.00 0.00 39.48 39.85 3kr5 n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kr5 n ASP 399 N 0.06 0.00 -0.82 5.98 2.03 -1.03 -1.57 116.55 121.20 3kr5 n ASP 399 Ca 0.18 -1.41 0.07 0.00 0.52 0.00 0.00 54.79 54.15 3kr5 n ASP 399 Cb 0.31 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.92 3kr5 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr5 n MET 400 N -0.65 2.97 -0.31 -0.67 0.00 -0.61 -1.92 117.12 115.92 3kr5 n MET 400 Ca 0.06 -2.39 0.13 0.00 0.00 0.00 0.00 57.70 55.50 3kr5 n MET 400 Cb 0.03 -1.51 0.30 0.00 0.00 0.00 0.00 33.22 32.04 3kr5 n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kr5 h SER 401 N 2.20 0.47 0.05 3.17 0.02 -1.45 0.35 113.55 118.35 3kr5 h SER 401 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kr5 h SER 401 Cb 1.03 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3kr5 h SER 401 CO 0.09 0.08 -0.04 1.23 -1.14 0.00 0.00 176.83 177.05 3kr5 h GLY 402 N 0.50 -0.09 0.62 -3.77 0.00 -1.73 0.24 103.07 98.84 3kr5 h GLY 402 Ca 0.56 0.05 0.07 0.00 0.00 0.00 0.00 47.33 48.00 3kr5 h GLY 402 CO -0.47 -0.04 0.38 0.00 0.00 0.00 0.00 176.54 176.40 3kr5 h ALA 404 N 1.38 0.60 -0.29 0.00 0.00 0.05 0.02 119.26 121.02 3kr5 h ALA 404 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kr5 h ALA 404 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kr5 h ALA 404 CO -0.21 0.15 0.15 0.00 0.00 0.00 0.00 179.25 179.35 3kr5 h ALA 405 N 1.08 0.35 -0.49 0.00 0.00 0.23 0.14 119.26 120.57 3kr5 h ALA 405 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 405 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 405 CO -0.02 -0.23 0.28 0.28 0.00 0.00 0.00 179.25 179.56 3kr5 h VAL 406 N 0.32 1.03 -0.66 0.00 2.07 -0.80 0.84 116.25 119.05 3kr5 h VAL 406 Ca 0.12 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3kr5 h VAL 406 Cb 0.02 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3kr5 h VAL 406 CO -0.07 0.10 0.21 -0.07 0.02 0.00 0.00 177.57 177.76 3kr5 h LEU 407 N 0.56 0.97 -0.79 2.57 3.38 -0.45 0.05 115.31 121.61 3kr5 h LEU 407 Ca 0.20 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kr5 h LEU 407 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3kr5 h LEU 407 CO -0.10 0.92 0.17 1.23 0.09 0.00 0.00 178.44 180.74 3kr5 h GLY 408 N 0.96 1.16 1.00 0.83 0.00 -0.14 -0.59 103.07 106.30 3kr5 h GLY 408 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kr5 h GLY 408 CO -0.01 0.67 0.32 0.00 0.00 0.00 0.00 176.54 177.52 3kr5 h ALA 410 N 1.17 1.20 -0.24 0.00 0.00 -0.12 0.23 119.26 121.50 3kr5 h ALA 410 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 410 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kr5 h ALA 410 CO -0.04 -0.10 0.14 -0.92 0.00 0.00 0.00 179.25 178.34 3kr5 h TYR 411 N 0.60 0.27 0.08 0.00 3.20 -0.50 0.22 116.97 120.84 3kr5 h TYR 411 Ca 0.44 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.31 3kr5 h TYR 411 Cb 0.61 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3kr5 h TYR 411 CO -0.10 0.17 -0.04 0.00 -1.64 0.00 0.00 178.16 176.54 3kr5 h VAL 413 N -0.35 1.06 0.00 0.00 2.07 -0.59 0.33 116.25 118.77 3kr5 h VAL 413 Ca -0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3kr5 h VAL 413 Cb 0.30 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kr5 h VAL 413 CO 0.02 0.09 -0.10 1.23 0.02 0.00 0.00 177.57 178.82 3kr5 h GLY 414 N 0.48 0.00 0.01 2.17 0.00 -0.44 0.15 103.07 105.44 3kr5 h GLY 414 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 3kr5 h GLY 414 CO -0.06 0.00 -0.83 -0.84 0.00 0.00 0.00 176.54 174.82 3kr5 h THR 415 N 0.00 1.22 0.00 4.70 2.02 -0.52 -3.36 112.91 116.97 3kr5 h THR 415 Ca -0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3kr5 h THR 415 Cb 0.24 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3kr5 h THR 415 CO 0.01 0.42 0.00 -0.07 0.37 0.00 0.00 175.52 176.26 3kr5 h LEU 416 N -0.99 0.00 -3.44 2.58 3.38 -0.29 -3.48 115.31 113.08 3kr5 h LEU 416 Ca -0.23 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 3kr5 h LEU 416 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 3kr5 h LEU 416 CO -0.13 0.00 -0.85 0.29 0.09 0.00 0.00 178.44 177.84 3kr5 n LYS 417 N -2.46 -1.36 -1.16 1.13 5.02 0.51 -4.93 118.16 114.91 3kr5 n LYS 417 Ca 0.05 0.83 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 3kr5 n LYS 417 Cb 0.42 -3.18 0.11 0.00 -0.02 0.00 0.00 35.03 32.36 3kr5 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr5 s PRO 418 N -4.84 1.91 0.22 1.97 0.04 -1.26 -5.04 135.00 128.01 3kr5 s PRO 418 Ca 0.08 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.55 3kr5 s PRO 418 Cb -0.04 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3kr5 s PRO 418 CO 0.87 -1.93 0.32 -1.21 0.04 0.00 0.00 177.00 175.09 3kr5 s GLU 419 N -4.62 3.36 -1.72 4.56 2.02 -1.26 -4.58 118.70 116.46 3kr5 s GLU 419 Ca 0.65 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.88 3kr5 s GLU 419 Cb -0.21 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3kr5 s GLU 419 CO 0.54 0.45 0.00 0.09 0.02 0.00 0.00 175.26 176.36 3kr5 n ASN 420 N -1.17 -5.08 -4.19 -0.19 3.02 -1.25 -4.95 115.26 101.46 3kr5 n ASN 420 Ca -0.08 0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 54.62 3kr5 n ASN 420 Cb 0.56 -4.00 -0.15 0.00 -0.61 0.00 0.00 39.78 35.58 3kr5 n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kr5 s VAL 421 N -2.56 1.43 -0.18 2.41 -7.23 -1.26 -0.30 120.40 112.71 3kr5 s VAL 421 Ca 0.00 -0.94 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3kr5 s VAL 421 Cb 0.00 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3kr5 s VAL 421 CO 0.00 0.26 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.23 3kr5 s GLU 422 N -0.79 3.23 -0.09 4.82 2.12 -0.01 -0.86 118.70 127.12 3kr5 s GLU 422 Ca 0.06 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3kr5 s GLU 422 Cb -0.08 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.56 3kr5 s GLU 422 CO 0.00 -0.11 -0.22 0.42 -0.54 0.00 0.00 175.26 174.82 3kr5 s ILE 423 N 1.16 1.88 -0.18 -3.70 1.01 1.00 -0.21 121.20 122.16 3kr5 s ILE 423 Ca 0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 3kr5 s ILE 423 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3kr5 s ILE 423 CO -0.04 0.52 0.04 -1.00 0.00 0.00 0.00 174.94 174.46 3kr5 s HIS 424 N 0.38 3.19 -0.28 3.97 3.76 0.97 -0.19 115.29 127.09 3kr5 s HIS 424 Ca -0.17 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 54.63 3kr5 s HIS 424 Cb -0.17 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.45 3kr5 s HIS 424 CO 0.08 0.07 0.05 -0.06 -0.85 0.00 0.00 174.74 174.03 3kr5 s PHE 425 N 0.49 3.11 -0.04 1.40 0.08 0.30 -0.05 117.98 123.28 3kr5 s PHE 425 Ca 0.02 -0.96 0.05 0.00 0.12 0.00 0.00 56.93 56.15 3kr5 s PHE 425 Cb -0.13 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 3kr5 s PHE 425 CO 0.01 -0.56 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.88 3kr5 s LEU 426 N 1.49 1.95 -0.13 -0.37 1.43 0.11 0.01 118.68 123.17 3kr5 s LEU 426 Ca 0.03 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 3kr5 s LEU 426 Cb -0.17 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.13 3kr5 s LEU 426 CO 0.01 0.17 0.31 -0.55 0.23 0.00 0.00 176.35 176.52 3kr5 s SER 427 N -0.07 -0.36 -0.78 2.29 0.15 -0.25 -0.46 113.70 114.22 3kr5 s SER 427 Ca -0.01 0.66 -0.22 0.00 0.70 0.00 0.00 55.95 57.08 3kr5 s SER 427 Cb -0.10 0.55 0.09 0.00 -1.71 0.00 0.00 66.02 64.84 3kr5 s SER 427 CO 0.02 -0.17 1.07 0.00 1.20 0.00 0.00 173.24 175.36 3kr5 s ALA 428 N 1.26 3.15 -0.08 5.45 0.00 -1.26 0.48 121.76 130.75 3kr5 s ALA 428 Ca -0.09 -2.16 -0.17 0.00 0.00 0.00 0.00 51.96 49.54 3kr5 s ALA 428 Cb -0.09 -4.00 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 3kr5 s ALA 428 CO -0.10 -2.94 0.44 0.08 0.00 0.00 0.00 175.76 173.25 3kr5 s VAL 429 N 3.77 5.14 0.26 0.00 1.01 -0.17 -3.89 120.40 126.51 3kr5 s VAL 429 Ca 0.28 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 3kr5 s VAL 429 Cb -0.11 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3kr5 s VAL 429 CO 0.02 0.41 0.80 0.00 0.00 0.00 0.00 175.10 176.33 3kr5 s GLU 431 N -2.06 1.68 -0.55 0.00 2.12 -1.26 -0.98 118.70 117.65 3kr5 s GLU 431 Ca 0.17 -0.52 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 3kr5 s GLU 431 Cb -0.03 -1.44 0.13 0.00 0.26 0.00 0.00 34.13 33.05 3kr5 s GLU 431 CO 0.08 0.17 0.52 1.21 -0.54 0.00 0.00 175.26 176.70 3kr5 s ASN 432 N 0.22 6.21 0.37 -1.70 2.47 0.14 -4.29 114.94 118.35 3kr5 s ASN 432 Ca -0.07 -1.79 0.05 0.00 0.42 0.00 0.00 52.86 51.47 3kr5 s ASN 432 Cb -0.12 -2.22 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 3kr5 s ASN 432 CO 0.03 -0.87 0.04 -0.04 -3.72 0.00 0.00 177.10 172.54 3kr5 s MET 433 N 1.63 1.80 -0.16 0.43 -1.94 -1.26 -0.85 119.30 118.94 3kr5 s MET 433 Ca 0.04 -2.02 -0.03 0.00 -1.71 0.00 0.00 55.69 51.97 3kr5 s MET 433 Cb -0.29 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.37 3kr5 s MET 433 CO 0.03 -0.16 -0.05 0.08 -0.01 0.00 0.00 175.02 174.91 3kr5 s VAL 434 N -3.07 3.68 0.08 -6.03 1.01 -1.26 -4.48 120.40 110.34 3kr5 s VAL 434 Ca 0.34 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3kr5 s VAL 434 Cb 0.09 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.93 3kr5 s VAL 434 CO 0.16 0.48 0.82 -0.55 0.00 0.00 0.00 175.10 176.01 3kr5 s SER 435 N 0.58 -0.37 0.67 3.32 0.15 -1.26 -4.97 113.70 111.81 3kr5 s SER 435 Ca -0.04 -0.12 0.43 0.00 0.70 0.00 0.00 55.95 56.93 3kr5 s SER 435 Cb -0.15 0.48 2.34 0.00 -1.71 0.00 0.00 66.02 66.98 3kr5 s SER 435 CO 0.03 -0.80 2.33 0.07 1.20 0.00 0.00 173.24 176.06 3kr5 h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.55 116.57 121.57 3kr5 h LYS 436 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kr5 h LYS 436 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kr5 h LYS 436 CO 0.31 0.00 -0.09 0.09 -2.00 0.00 0.00 179.45 177.76 3kr5 n ASN 437 N -3.11 2.22 -4.78 7.07 5.03 -1.26 -4.98 115.26 115.46 3kr5 n ASN 437 Ca -0.03 -1.68 -0.34 0.00 0.87 0.00 0.00 54.58 53.41 3kr5 n ASN 437 Cb 0.10 0.08 0.02 0.00 -1.02 0.00 0.00 39.78 38.96 3kr5 n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kr5 s SER 438 N -2.11 5.47 0.60 6.41 0.01 -0.96 -3.55 113.70 119.57 3kr5 s SER 438 Ca 0.29 2.01 -0.18 0.00 1.31 0.00 0.00 55.95 59.39 3kr5 s SER 438 Cb 0.20 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3kr5 s SER 438 CO 0.37 -1.38 1.13 -0.72 0.41 0.00 0.00 173.24 173.05 3kr5 s TYR 439 N -2.18 2.59 0.17 2.43 1.13 -1.26 -4.86 117.35 115.38 3kr5 s TYR 439 Ca 0.68 1.55 0.06 0.00 -1.41 0.00 0.00 57.07 57.95 3kr5 s TYR 439 Cb -0.20 -3.27 -0.04 0.00 -1.10 0.00 0.00 41.96 37.34 3kr5 s TYR 439 CO 0.35 -1.73 0.07 1.03 -2.51 0.00 0.00 175.55 172.76 3kr5 s ARG 440 N -3.62 2.64 0.27 -3.49 0.52 -1.26 -4.55 118.95 109.46 3kr5 s ARG 440 Ca 0.71 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 3kr5 s ARG 440 Cb -0.23 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.62 3kr5 s ARG 440 CO 0.34 0.46 1.46 -0.35 0.02 0.00 0.00 175.30 177.23 3kr5 n PRO 441 N -0.27 2.28 0.00 3.54 -0.04 -1.26 -1.67 135.00 137.58 3kr5 n PRO 441 Ca -0.09 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3kr5 n PRO 441 Cb 0.55 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kr5 n GLY 442 N 2.00 2.93 3.65 0.55 0.00 0.32 -5.02 105.19 109.63 3kr5 n GLY 442 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kr5 n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr5 n ASP 443 N 0.00 1.99 -4.48 1.61 9.92 -0.67 -4.45 116.55 120.47 3kr5 n ASP 443 Ca 0.00 1.13 -0.35 0.00 -0.53 0.00 0.00 54.79 55.04 3kr5 n ASP 443 Cb 0.00 -1.41 -0.12 0.00 -0.64 0.00 0.00 41.12 38.95 3kr5 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr5 s ILE 444 N -1.17 4.02 0.16 0.53 1.01 -1.26 -0.24 121.20 124.25 3kr5 s ILE 444 Ca 0.60 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3kr5 s ILE 444 Cb -0.58 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3kr5 s ILE 444 CO 0.59 0.45 -0.12 0.27 0.00 0.00 0.00 174.94 176.13 3kr5 s ILE 445 N 0.76 1.39 -0.21 2.92 -4.36 0.42 -4.90 121.20 117.23 3kr5 s ILE 445 Ca 0.00 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.35 3kr5 s ILE 445 Cb -0.14 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.75 3kr5 s ILE 445 CO 0.02 -0.62 -0.11 -0.89 0.24 0.00 0.00 174.94 173.58 3kr5 s THR 446 N -2.92 2.73 0.81 8.37 2.01 -1.26 0.87 115.64 126.25 3kr5 s THR 446 Ca 0.17 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 3kr5 s THR 446 Cb -0.00 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.34 3kr5 s THR 446 CO 0.03 0.42 1.09 0.00 -0.69 0.00 0.00 174.62 175.48 3kr5 s ALA 447 N 1.37 2.05 0.01 7.40 0.00 -0.07 -2.29 121.76 130.23 3kr5 s ALA 447 Ca 0.04 0.18 0.25 0.00 0.00 0.00 0.00 51.96 52.43 3kr5 s ALA 447 Cb -0.14 -3.25 1.37 0.00 0.00 0.00 0.00 23.12 21.10 3kr5 s ALA 447 CO -0.08 -1.94 1.76 0.66 0.00 0.00 0.00 175.76 176.17 3kr5 h SER 448 N -1.25 0.00 -0.52 0.00 4.64 -1.60 0.20 113.55 115.02 3kr5 h SER 448 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kr5 h SER 448 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kr5 h SER 448 CO 0.52 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.02 3kr5 n ASN 449 N -2.41 2.91 0.00 4.97 6.94 -1.26 -4.93 115.26 121.48 3kr5 n ASN 449 Ca -0.02 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 3kr5 n ASN 449 Cb 0.08 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 3kr5 n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kr5 n GLY 450 N 1.37 1.92 3.70 4.83 0.00 0.71 -5.02 105.19 112.70 3kr5 n GLY 450 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.42 4.25 0.01 1.61 1.02 -1.25 -4.73 119.74 120.23 3kr5 s LYS 451 Ca 0.00 2.20 -0.24 0.00 0.02 0.00 0.00 55.97 57.96 3kr5 s LYS 451 Cb 0.00 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 3kr5 s LYS 451 CO 0.00 -0.59 0.71 0.95 -0.92 0.00 0.00 175.35 175.51 3kr5 s THR 452 N 1.76 4.84 -0.15 2.17 -4.23 -1.26 -0.89 115.64 117.88 3kr5 s THR 452 Ca 0.68 1.50 0.01 0.00 -1.18 0.00 0.00 61.69 62.71 3kr5 s THR 452 Cb -0.39 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.40 3kr5 s THR 452 CO 0.30 0.35 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.91 3kr5 s ILE 453 N 0.11 2.32 -0.24 2.99 1.01 0.25 -1.14 121.20 126.52 3kr5 s ILE 453 Ca 0.37 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 3kr5 s ILE 453 Cb -0.19 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3kr5 s ILE 453 CO 0.21 0.53 0.98 -0.70 0.00 0.00 0.00 174.94 175.96 3kr5 s GLU 454 N 0.87 4.23 -0.37 2.79 2.12 0.41 -0.43 118.70 128.32 3kr5 s GLU 454 Ca -0.05 1.23 -0.29 0.00 0.36 0.00 0.00 54.97 56.22 3kr5 s GLU 454 Cb -0.15 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.61 3kr5 s GLU 454 CO -0.02 -0.60 1.23 0.08 -0.54 0.00 0.00 175.26 175.40 3kr5 s VAL 455 N 3.11 4.19 -0.17 3.70 1.01 0.67 -1.20 120.40 131.71 3kr5 s VAL 455 Ca 0.41 1.30 0.21 0.00 0.00 0.00 0.00 61.98 63.90 3kr5 s VAL 455 Cb -0.15 -4.34 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 3kr5 s VAL 455 CO 0.07 -0.67 0.88 0.61 0.00 0.00 0.00 175.10 175.98 3kr5 n GLY 456 N 4.50 -1.31 3.46 4.51 0.00 -1.26 0.12 105.19 115.21 3kr5 n GLY 456 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.93 3kr5 n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kr5 s ASN 457 N -5.38 -1.23 0.29 1.61 3.84 -1.26 -4.74 114.94 108.07 3kr5 s ASN 457 Ca -0.02 1.31 0.22 0.00 0.21 0.00 0.00 52.86 54.58 3kr5 s ASN 457 Cb 0.10 2.25 1.08 0.00 -0.55 0.00 0.00 41.25 44.13 3kr5 s ASN 457 CO 0.81 -0.23 1.68 0.35 -2.79 0.00 0.00 177.10 176.92 3kr5 n THR 458 N 5.44 0.95 0.93 -5.21 -2.24 -1.26 -1.22 114.28 111.66 3kr5 n THR 458 Ca -0.08 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 3kr5 n THR 458 Cb 0.50 -1.47 0.46 0.00 -2.10 0.00 0.00 70.33 67.72 3kr5 n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr5 n ASP 459 N -2.25 0.28 -2.96 3.42 2.03 -0.98 -3.32 116.55 112.78 3kr5 n ASP 459 Ca 0.00 0.27 -0.35 0.00 0.52 0.00 0.00 54.79 55.23 3kr5 n ASP 459 Cb 0.12 -0.27 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 3kr5 n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kr5 n ALA 460 N -1.56 6.50 0.13 -1.67 0.00 -0.36 -4.67 120.51 118.89 3kr5 n ALA 460 Ca 0.06 -3.75 0.01 0.00 0.00 0.00 0.00 53.44 49.76 3kr5 n ALA 460 Cb 0.36 -2.24 0.03 0.00 0.00 0.00 0.00 19.45 17.60 3kr5 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr5 h GLU 461 N 3.50 0.00 -0.20 0.00 9.09 -1.77 -3.37 114.58 121.83 3kr5 h GLU 461 Ca 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.93 3kr5 h GLU 461 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3kr5 h GLU 461 CO 1.18 0.57 0.12 0.78 0.05 0.00 0.00 179.01 181.71 3kr5 h GLY 462 N 3.28 0.29 2.00 1.06 0.00 -1.91 -0.94 103.07 106.85 3kr5 h GLY 462 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kr5 h GLY 462 CO 0.07 0.12 -0.13 0.07 0.00 0.00 0.00 176.54 176.68 3kr5 h ARG 463 N 0.23 0.00 -0.21 4.80 0.11 -1.94 0.31 114.38 117.69 3kr5 h ARG 463 Ca 0.07 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.10 3kr5 h ARG 463 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 3kr5 h ARG 463 CO -0.01 0.13 -0.06 -0.07 0.10 0.00 0.00 179.97 180.06 3kr5 h LEU 464 N 0.00 0.41 -0.37 0.08 3.38 -1.37 -0.66 115.31 116.78 3kr5 h LEU 464 Ca -0.00 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 3kr5 h LEU 464 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kr5 h LEU 464 CO 0.02 0.69 -0.32 0.71 0.09 0.00 0.00 178.44 179.63 3kr5 h THR 465 N 0.13 1.28 -0.19 0.22 1.35 -0.29 -2.98 112.91 112.42 3kr5 h THR 465 Ca 0.05 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.37 3kr5 h THR 465 Cb 0.51 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3kr5 h THR 465 CO 0.02 0.49 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.56 3kr5 h LEU 466 N 0.66 0.30 0.48 3.87 3.38 -0.38 -1.52 115.31 122.10 3kr5 h LEU 466 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kr5 h LEU 466 Cb 0.90 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kr5 h LEU 466 CO 0.08 0.48 -0.47 0.00 0.09 0.00 0.00 178.44 178.62 3kr5 h ALA 467 N 1.56 -1.05 -0.39 1.53 0.00 -0.96 0.67 119.26 120.62 3kr5 h ALA 467 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kr5 h ALA 467 Cb 0.45 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3kr5 h ALA 467 CO 0.03 -1.13 0.21 -0.44 0.00 0.00 0.00 179.25 177.92 3kr5 h ASP 468 N -0.95 0.46 -0.45 0.00 3.32 -1.47 -0.97 116.42 116.37 3kr5 h ASP 468 Ca -0.05 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 3kr5 h ASP 468 Cb 0.83 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3kr5 h ASP 468 CO -0.06 0.37 -0.19 0.00 -1.72 0.00 0.00 179.24 177.65 3kr5 h ALA 469 N 1.71 0.77 -0.47 3.45 0.00 -0.41 -1.75 119.26 122.55 3kr5 h ALA 469 Ca 0.14 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3kr5 h ALA 469 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kr5 h ALA 469 CO -0.02 0.66 0.02 -0.07 0.00 0.00 0.00 179.25 179.84 3kr5 h LEU 470 N 0.83 0.79 -0.34 0.00 3.38 0.10 0.19 115.31 120.26 3kr5 h LEU 470 Ca 0.12 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3kr5 h LEU 470 Cb 0.74 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3kr5 h LEU 470 CO 0.06 0.89 0.12 0.58 0.09 0.00 0.00 178.44 180.18 3kr5 h VAL 471 N 0.67 0.91 -0.21 1.22 2.07 -1.12 -0.45 116.25 119.34 3kr5 h VAL 471 Ca 0.14 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3kr5 h VAL 471 Cb 0.47 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3kr5 h VAL 471 CO 0.02 0.05 -0.06 0.22 0.02 0.00 0.00 177.57 177.82 3kr5 h TYR 472 N 0.27 -0.14 -0.58 1.57 3.20 -1.15 -1.51 116.97 118.63 3kr5 h TYR 472 Ca 0.15 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3kr5 h TYR 472 Cb 0.12 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3kr5 h TYR 472 CO -0.14 -0.11 0.28 0.00 -1.64 0.00 0.00 178.16 176.55 3kr5 h ALA 473 N 1.18 0.75 -0.09 1.82 0.00 -0.01 -1.82 119.26 121.09 3kr5 h ALA 473 Ca 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3kr5 h ALA 473 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kr5 h ALA 473 CO -0.22 -0.09 -0.60 1.49 0.00 0.00 0.00 179.25 179.82 3kr5 h GLU 474 N 0.52 0.30 0.00 0.00 4.81 -0.86 -1.00 114.58 118.34 3kr5 h GLU 474 Ca 0.27 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kr5 h GLU 474 Cb 0.22 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kr5 h GLU 474 CO -0.21 0.81 0.00 0.87 -0.73 0.00 0.00 179.01 179.75 3kr5 h LYS 475 N 0.22 0.00 0.00 1.92 1.57 -0.43 -0.06 116.57 119.79 3kr5 h LYS 475 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kr5 h LYS 475 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3kr5 h LYS 475 CO 0.10 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.91 3kr5 h LEU 476 N 0.00 0.00 -2.25 2.94 4.07 -0.82 -3.48 115.31 115.78 3kr5 h LEU 476 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 3kr5 h LEU 476 Cb 0.09 0.00 0.10 0.00 1.08 0.00 0.00 40.66 41.93 3kr5 h LEU 476 CO 0.00 0.00 -0.43 0.61 -1.08 0.00 0.00 178.44 177.54 3kr5 n GLY 477 N 0.40 -0.08 3.99 0.83 0.00 -0.04 -5.05 105.19 105.26 3kr5 n GLY 477 Ca 0.03 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3kr5 n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr5 s VAL 478 N -3.20 2.80 -0.10 1.61 -7.23 -1.26 -4.95 120.40 108.08 3kr5 s VAL 478 Ca 0.12 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.47 3kr5 s VAL 478 Cb -0.02 -2.97 -0.24 0.00 0.56 0.00 0.00 36.38 33.71 3kr5 s VAL 478 CO 0.39 0.00 0.44 0.47 -0.31 0.00 0.00 175.10 176.08 3kr5 n ASP 479 N -2.11 1.56 -4.05 4.85 8.00 0.14 -4.90 116.55 120.04 3kr5 n ASP 479 Ca 0.08 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.63 3kr5 n ASP 479 Cb 0.59 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 41.08 3kr5 n ASP 479 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kr5 s TYR 480 N -2.57 1.12 -0.20 1.24 2.02 -0.98 -3.76 117.35 114.22 3kr5 s TYR 480 Ca -0.16 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3kr5 s TYR 480 Cb 0.07 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3kr5 s TYR 480 CO 0.78 -0.09 -0.07 0.42 -1.57 0.00 0.00 175.55 175.02 3kr5 s ILE 481 N 0.03 3.20 -0.19 2.71 1.01 -0.45 -0.64 121.20 126.86 3kr5 s ILE 481 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3kr5 s ILE 481 Cb -0.08 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.99 3kr5 s ILE 481 CO 0.00 0.45 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 3kr5 s VAL 482 N 1.27 2.08 0.02 2.92 1.01 -0.16 -0.94 120.40 126.60 3kr5 s VAL 482 Ca 0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 3kr5 s VAL 482 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3kr5 s VAL 482 CO -0.03 0.44 0.13 1.51 0.00 0.00 0.00 175.10 177.15 3kr5 s ASP 483 N 1.26 5.95 -0.04 3.32 1.47 -0.01 -0.68 116.67 127.94 3kr5 s ASP 483 Ca 0.03 0.19 0.01 0.00 1.18 0.00 0.00 52.55 53.96 3kr5 s ASP 483 Cb -0.14 -1.76 0.02 0.00 -0.34 0.00 0.00 42.92 40.70 3kr5 s ASP 483 CO -0.12 0.23 -0.06 -0.51 0.68 0.00 0.00 175.17 175.39 3kr5 s ILE 484 N -1.32 0.67 -0.19 2.11 2.07 0.16 -0.20 121.20 124.49 3kr5 s ILE 484 Ca 0.27 -0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 59.06 3kr5 s ILE 484 Cb -0.12 -0.66 0.06 0.00 0.13 0.00 0.00 42.46 41.87 3kr5 s ILE 484 CO 0.19 0.25 0.63 0.00 -1.91 0.00 0.00 174.94 174.11 3kr5 s ALA 485 N 0.75 -1.59 -1.33 1.50 0.00 -0.00 -1.43 121.76 119.66 3kr5 s ALA 485 Ca -0.11 1.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 3kr5 s ALA 485 Cb -0.14 -0.78 0.09 0.00 0.00 0.00 0.00 23.12 22.29 3kr5 s ALA 485 CO 0.01 -0.32 1.84 0.25 0.00 0.00 0.00 175.76 177.54 3kr5 n THR 486 N 2.28 3.91 -0.06 0.00 -2.24 -1.26 0.10 114.28 117.01 3kr5 n THR 486 Ca -0.15 -3.95 -0.22 0.00 -2.27 0.00 0.00 64.05 57.46 3kr5 n THR 486 Cb 0.56 -2.44 -0.13 0.00 -2.10 0.00 0.00 70.33 66.22 3kr5 n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kr5 n LEU 487 N 6.79 2.20 -3.84 3.22 7.94 -1.26 -4.74 117.00 127.31 3kr5 n LEU 487 Ca 0.47 0.33 -0.18 0.00 -1.11 0.00 0.00 56.01 55.52 3kr5 n LEU 487 Cb 0.42 -1.04 -0.16 0.00 0.53 0.00 0.00 43.42 43.18 3kr5 n LEU 487 CO 0.79 0.53 -0.39 0.42 -1.11 0.00 0.00 177.39 177.63 3kr5 s THR 488 N -2.45 0.31 0.51 1.96 -4.23 -1.26 -4.94 115.64 105.54 3kr5 s THR 488 Ca -0.26 0.02 0.21 0.00 -1.18 0.00 0.00 61.69 60.48 3kr5 s THR 488 Cb 0.06 -0.38 0.28 0.00 1.34 0.00 0.00 72.50 73.80 3kr5 s THR 488 CO 0.67 0.18 2.14 1.23 -0.54 0.00 0.00 174.62 178.30 3kr5 h GLY 489 N 7.32 0.00 -0.34 3.99 0.00 -1.93 -1.42 103.07 110.69 3kr5 h GLY 489 Ca -0.39 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.26 3kr5 h GLY 489 CO 0.45 0.00 0.86 0.00 0.00 0.00 0.00 176.54 177.85 3kr5 h ALA 490 N 1.95 3.02 -0.85 3.60 0.00 -1.95 -0.45 119.26 124.58 3kr5 h ALA 490 Ca -0.00 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3kr5 h ALA 490 Cb 0.10 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 490 CO 0.01 -1.43 0.56 0.52 0.00 0.00 0.00 179.25 178.90 3kr5 h MET 491 N 0.00 0.47 0.00 0.00 2.86 -1.64 0.60 114.93 117.22 3kr5 h MET 491 Ca 0.53 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.12 3kr5 h MET 491 Cb 2.24 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.79 3kr5 h MET 491 CO -0.01 0.31 -0.09 -0.07 1.06 0.00 0.00 176.91 178.11 3kr5 h LEU 492 N 0.48 0.00 0.00 1.22 3.38 -1.29 0.12 115.31 119.21 3kr5 h LEU 492 Ca 0.43 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.24 3kr5 h LEU 492 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3kr5 h LEU 492 CO -0.17 0.09 -1.40 1.88 0.09 0.00 0.00 178.44 178.93 3kr5 h TYR 493 N 0.00 0.00 0.00 1.13 -1.99 -0.03 -3.24 116.97 112.84 3kr5 h TYR 493 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kr5 h TYR 493 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 3kr5 h TYR 493 CO 0.00 0.58 -0.26 0.66 -0.00 0.00 0.00 178.16 179.14 3kr5 h SER 494 N 0.00 0.00 0.00 3.88 4.64 -0.55 -3.44 113.55 118.08 3kr5 h SER 494 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3kr5 h SER 494 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3kr5 h SER 494 CO 0.05 0.40 -1.52 0.18 -0.87 0.00 0.00 176.83 175.07 3kr5 n LEU 495 N -3.53 0.15 0.00 5.97 4.77 0.22 -5.09 117.00 119.50 3kr5 n LEU 495 Ca -0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kr5 n LEU 495 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3kr5 n LEU 495 CO 0.05 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3kr5 n GLY 496 N 1.55 -0.33 0.58 -0.72 0.00 -0.13 -4.22 105.19 101.92 3kr5 n GLY 496 Ca -0.02 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.80 3kr5 n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr5 n THR 497 N 0.00 0.00 -0.06 2.61 -2.24 -1.26 -4.17 114.28 109.16 3kr5 n THR 497 Ca 0.00 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 3kr5 n THR 497 Cb 0.00 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 3kr5 n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kr5 n SER 498 N 0.26 2.34 -4.36 3.42 7.64 -1.26 -4.34 113.62 117.33 3kr5 n SER 498 Ca 0.12 -0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 3kr5 n SER 498 Cb 0.48 0.54 -0.15 0.00 -1.01 0.00 0.00 64.21 64.07 3kr5 n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kr5 s TYR 499 N -2.28 2.74 0.58 1.43 4.12 -1.26 -4.44 117.35 118.25 3kr5 s TYR 499 Ca -0.09 -0.65 -0.09 0.00 0.02 0.00 0.00 57.07 56.26 3kr5 s TYR 499 Cb 0.04 -1.79 -0.04 0.00 -1.52 0.00 0.00 41.96 38.65 3kr5 s TYR 499 CO 0.44 -0.20 0.96 0.00 0.02 0.00 0.00 175.55 176.77 3kr5 s ALA 500 N 0.20 3.18 -0.13 3.71 0.00 -0.30 -4.56 121.76 123.87 3kr5 s ALA 500 Ca -0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 3kr5 s ALA 500 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3kr5 s ALA 500 CO 0.06 -0.61 0.18 0.20 0.00 0.00 0.00 175.76 175.59 3kr5 s GLY 501 N -4.17 2.17 -0.10 0.00 0.00 -0.92 -0.14 107.32 104.17 3kr5 s GLY 501 Ca 0.53 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.70 3kr5 s GLY 501 CO 0.51 -0.12 -0.21 0.54 0.00 0.00 0.00 173.10 173.82 3kr5 s VAL 502 N -0.57 2.32 0.29 1.40 0.11 0.43 -0.13 120.40 124.26 3kr5 s VAL 502 Ca 0.15 -0.94 0.09 0.00 -2.93 0.00 0.00 61.98 58.35 3kr5 s VAL 502 Cb -0.12 -1.90 -0.06 0.00 -1.53 0.00 0.00 36.38 32.77 3kr5 s VAL 502 CO 0.04 0.55 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.88 3kr5 s PHE 503 N 0.21 2.15 -0.05 1.54 0.08 0.50 -0.53 117.98 121.89 3kr5 s PHE 503 Ca -0.13 -0.52 -0.31 0.00 0.12 0.00 0.00 56.93 56.08 3kr5 s PHE 503 Cb -0.16 -1.13 0.13 0.00 -0.57 0.00 0.00 43.02 41.29 3kr5 s PHE 503 CO 0.07 0.50 1.35 0.20 -0.10 0.00 0.00 175.22 177.24 3kr5 s GLY 504 N -3.50 -0.42 0.00 4.36 0.00 -1.26 0.28 107.32 106.79 3kr5 s GLY 504 Ca 0.30 0.72 0.22 0.00 0.00 0.00 0.00 44.72 45.95 3kr5 s GLY 504 CO 0.13 0.95 1.36 1.16 0.00 0.00 0.00 173.10 176.70 3kr5 n ASN 505 N -0.57 3.36 -3.69 1.64 0.23 0.07 -4.80 115.26 111.50 3kr5 n ASN 505 Ca -0.07 -1.97 -0.16 0.00 -0.53 0.00 0.00 54.58 51.85 3kr5 n ASN 505 Cb 0.63 -0.22 -0.15 0.00 -2.08 0.00 0.00 39.78 37.95 3kr5 n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 506 N -1.47 0.52 0.09 0.53 3.84 -1.26 -4.87 114.94 112.32 3kr5 s ASN 506 Ca 0.36 0.31 -0.17 0.00 0.21 0.00 0.00 52.86 53.57 3kr5 s ASN 506 Cb 0.22 0.23 -0.08 0.00 -0.55 0.00 0.00 41.25 41.07 3kr5 s ASN 506 CO 0.30 -0.22 1.48 -0.08 -2.79 0.00 0.00 177.10 175.79 3kr5 h GLU 507 N 8.04 0.54 -0.45 0.43 4.81 -1.96 -1.21 114.58 124.78 3kr5 h GLU 507 Ca -0.22 -0.22 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 3kr5 h GLU 507 Cb 1.12 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 3kr5 h GLU 507 CO 0.23 0.76 0.08 0.93 -0.73 0.00 0.00 179.01 180.28 3kr5 h GLU 508 N 0.30 0.21 -0.50 1.92 5.08 -1.99 0.58 114.58 120.18 3kr5 h GLU 508 Ca 0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3kr5 h GLU 508 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3kr5 h GLU 508 CO 0.03 0.14 0.13 1.25 -1.00 0.00 0.00 179.01 179.56 3kr5 h LEU 509 N 0.21 0.75 -0.49 1.33 5.85 -1.94 -0.07 115.31 120.95 3kr5 h LEU 509 Ca 0.22 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kr5 h LEU 509 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3kr5 h LEU 509 CO -0.30 0.78 0.30 0.40 -0.34 0.00 0.00 178.44 179.28 3kr5 h ILE 510 N 0.68 1.05 -0.87 4.05 2.04 -0.73 -0.92 117.51 122.81 3kr5 h ILE 510 Ca 0.16 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kr5 h ILE 510 Cb 0.32 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3kr5 h ILE 510 CO 0.00 0.11 0.57 0.78 0.00 0.00 0.00 178.15 179.61 3kr5 h ASN 511 N 0.59 0.98 -0.55 1.72 2.35 -0.51 0.59 115.58 120.76 3kr5 h ASN 511 Ca 0.20 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3kr5 h ASN 511 Cb 0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 3kr5 h ASN 511 CO -0.09 0.70 0.31 0.11 -1.65 0.00 0.00 177.43 176.81 3kr5 h LYS 512 N 1.16 0.59 -0.74 0.81 1.57 -0.51 0.23 116.57 119.68 3kr5 h LYS 512 Ca 0.33 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3kr5 h LYS 512 Cb -0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 3kr5 h LYS 512 CO -0.08 0.39 0.49 0.82 -0.57 0.00 0.00 179.45 180.50 3kr5 h ILE 513 N 0.61 1.19 -0.56 1.86 1.08 -0.20 0.39 117.51 121.87 3kr5 h ILE 513 Ca 0.23 -0.35 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 3kr5 h ILE 513 Cb 0.08 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 3kr5 h ILE 513 CO -0.12 0.18 0.07 -0.07 -0.69 0.00 0.00 178.15 177.52 3kr5 h LEU 514 N 1.00 0.91 -0.63 1.44 3.38 -0.12 0.35 115.31 121.64 3kr5 h LEU 514 Ca 0.27 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 514 Cb -0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.33 3kr5 h LEU 514 CO -0.06 0.95 0.31 -0.61 0.09 0.00 0.00 178.44 179.12 3kr5 h GLN 515 N 0.84 0.54 -0.18 1.13 5.75 -0.35 -0.88 115.11 121.96 3kr5 h GLN 515 Ca 0.17 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 3kr5 h GLN 515 Cb 0.44 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3kr5 h GLN 515 CO 0.01 0.36 -0.31 0.77 -2.65 0.00 0.00 178.83 177.02 3kr5 h SER 516 N 0.56 0.35 -0.08 -0.69 0.02 -0.11 -1.00 113.55 112.61 3kr5 h SER 516 Ca 0.30 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kr5 h SER 516 Cb 0.27 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kr5 h SER 516 CO -0.23 0.65 0.05 -1.28 -1.14 0.00 0.00 176.83 174.88 3kr5 h SER 517 N 0.31 0.09 -0.32 3.07 0.87 0.21 0.21 113.55 117.99 3kr5 h SER 517 Ca 0.04 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3kr5 h SER 517 Cb 0.70 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 3kr5 h SER 517 CO 0.05 0.06 0.20 0.50 -0.53 0.00 0.00 176.83 177.12 3kr5 h LYS 518 N 0.10 0.40 0.00 2.24 3.64 -0.81 0.81 116.57 122.96 3kr5 h LYS 518 Ca 0.03 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3kr5 h LYS 518 Cb -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3kr5 h LYS 518 CO -0.01 0.27 -0.70 1.79 -2.27 0.00 0.00 179.45 178.53 3kr5 h THR 519 N 0.42 1.24 0.00 1.00 1.35 -1.05 -3.12 112.91 112.74 3kr5 h THR 519 Ca 0.12 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 3kr5 h THR 519 Cb -0.04 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3kr5 h THR 519 CO -0.03 0.69 -0.41 0.77 -0.25 0.00 0.00 175.52 176.28 3kr5 h SER 520 N 0.00 0.00 -2.27 5.36 4.64 -0.49 -3.47 113.55 117.32 3kr5 h SER 520 Ca -0.01 -0.06 -0.37 0.00 -0.47 0.00 0.00 61.79 60.88 3kr5 h SER 520 Cb 1.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 3kr5 h SER 520 CO 0.09 0.03 -0.44 0.59 -0.87 0.00 0.00 176.83 176.23 3kr5 n ASN 521 N -2.53 -5.29 -4.27 4.97 3.02 0.27 -4.84 115.26 106.59 3kr5 n ASN 521 Ca 0.03 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 3kr5 n ASN 521 Cb 0.49 -4.36 -0.08 0.00 -0.61 0.00 0.00 39.78 35.22 3kr5 n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kr5 s GLU 522 N -4.65 2.67 0.18 3.52 2.02 -1.15 -4.99 118.70 116.31 3kr5 s GLU 522 Ca 0.00 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.06 3kr5 s GLU 522 Cb 0.00 -3.98 -0.09 0.00 0.10 0.00 0.00 34.13 30.15 3kr5 s GLU 522 CO 0.00 -1.13 1.47 -2.14 0.02 0.00 0.00 175.26 173.47 3kr5 s PRO 523 N 1.46 4.27 0.03 0.39 0.02 -1.26 -4.54 135.00 135.37 3kr5 s PRO 523 Ca 0.04 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3kr5 s PRO 523 Cb -0.26 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 3kr5 s PRO 523 CO 0.02 -0.48 -0.07 0.08 -0.33 0.00 0.00 177.00 176.22 3kr5 s VAL 524 N 0.70 0.49 0.00 3.83 1.01 -1.26 -1.14 120.40 124.02 3kr5 s VAL 524 Ca 0.64 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3kr5 s VAL 524 Cb -0.41 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3kr5 s VAL 524 CO 0.35 -0.29 -0.17 0.86 0.00 0.00 0.00 175.10 175.85 3kr5 s TRP 525 N -1.14 1.50 -0.23 5.22 -0.11 0.81 -4.87 118.94 120.12 3kr5 s TRP 525 Ca -0.08 -0.31 -0.29 0.00 1.22 0.00 0.00 56.10 56.64 3kr5 s TRP 525 Cb -0.08 -0.94 0.01 0.00 -1.50 0.00 0.00 33.47 30.96 3kr5 s TRP 525 CO 0.00 0.00 1.04 -0.46 -4.62 0.00 0.00 176.95 172.91 3kr5 s TRP 526 N -0.52 3.35 0.16 5.86 -0.00 -1.26 -0.43 118.94 126.10 3kr5 s TRP 526 Ca 0.06 1.47 0.09 0.00 -0.00 0.00 0.00 56.10 57.72 3kr5 s TRP 526 Cb -0.07 -3.26 -0.04 0.00 -0.00 0.00 0.00 33.47 30.10 3kr5 s TRP 526 CO 0.00 -0.47 -0.11 -0.51 -0.00 0.00 0.00 176.95 175.86 3kr5 s LEU 527 N 3.15 2.94 0.23 5.86 1.43 0.31 -4.91 118.68 127.68 3kr5 s LEU 527 Ca 0.44 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 3kr5 s LEU 527 Cb -0.15 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3kr5 s LEU 527 CO 0.07 0.12 0.70 -2.16 0.23 0.00 0.00 176.35 175.31 3kr5 s PRO 528 N -2.65 4.16 -0.59 1.29 0.04 -1.26 -4.31 135.00 131.68 3kr5 s PRO 528 Ca 0.23 0.77 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 3kr5 s PRO 528 Cb -0.09 -2.79 0.10 0.00 0.04 0.00 0.00 34.50 31.75 3kr5 s PRO 528 CO 0.14 0.36 0.72 0.42 0.04 0.00 0.00 177.00 178.67 3kr5 s ILE 529 N -1.61 4.79 -0.50 0.56 1.01 -1.26 -4.81 121.20 119.38 3kr5 s ILE 529 Ca 0.45 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 3kr5 s ILE 529 Cb -0.15 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 37.86 3kr5 s ILE 529 CO 0.20 -1.12 0.99 -0.63 0.00 0.00 0.00 174.94 174.38 3kr5 s ILE 530 N 2.78 4.36 0.53 2.92 1.01 -1.26 -4.89 121.20 126.65 3kr5 s ILE 530 Ca 0.13 0.73 0.22 0.00 0.00 0.00 0.00 60.65 61.73 3kr5 s ILE 530 Cb -0.23 -4.52 0.29 0.00 0.01 0.00 0.00 42.46 38.01 3kr5 s ILE 530 CO 0.07 -0.98 2.16 0.78 0.00 0.00 0.00 174.94 176.97 3kr5 h ASN 531 N 9.21 0.00 -0.80 3.58 2.35 -1.99 -2.43 115.58 125.50 3kr5 h ASN 531 Ca -0.24 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.74 3kr5 h ASN 531 Cb 1.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.41 3kr5 h ASN 531 CO 1.07 0.03 0.61 -0.08 -1.65 0.00 0.00 177.43 177.42 3kr5 h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.04 0.25 114.58 118.41 3kr5 h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kr5 h GLU 532 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kr5 h GLU 532 CO 0.00 0.00 -0.13 0.66 -0.73 0.00 0.00 179.01 178.81 3kr5 n TYR 533 N -4.15 0.54 -0.33 0.92 0.53 -0.91 -4.09 117.16 109.66 3kr5 n TYR 533 Ca 0.16 0.16 0.12 0.00 -1.02 0.00 0.00 57.90 57.32 3kr5 n TYR 533 Cb 0.90 -0.72 0.33 0.00 -1.03 0.00 0.00 39.34 38.82 3kr5 n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kr5 h ARG 534 N 0.00 0.76 0.00 -0.72 9.65 -0.66 -0.61 114.38 122.80 3kr5 h ARG 534 Ca 0.00 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3kr5 h ARG 534 Cb 0.65 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3kr5 h ARG 534 CO 0.00 0.50 -0.05 0.00 2.80 0.00 0.00 179.97 183.22 3kr5 h ALA 535 N 1.60 1.37 0.00 2.80 0.00 -1.76 -0.42 119.26 122.85 3kr5 h ALA 535 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3kr5 h ALA 535 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kr5 h ALA 535 CO -0.30 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.26 3kr5 n THR 536 N -3.68 0.02 0.87 0.00 -2.24 -0.23 -1.52 114.28 107.50 3kr5 n THR 536 Ca -0.02 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 3kr5 n THR 536 Cb 0.15 -0.54 0.17 0.00 -2.10 0.00 0.00 70.33 68.00 3kr5 n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr5 n LEU 537 N -1.07 2.97 -4.57 3.22 4.77 -0.17 -4.15 117.00 118.00 3kr5 n LEU 537 Ca 0.20 -1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 54.70 3kr5 n LEU 537 Cb 0.13 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3kr5 n LEU 537 CO 0.18 0.54 1.47 0.20 -1.33 0.00 0.00 177.39 178.45 3kr5 s ASN 538 N -1.86 5.67 0.35 -1.43 0.01 -0.58 0.54 114.94 117.66 3kr5 s ASN 538 Ca 0.32 0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 52.70 3kr5 s ASN 538 Cb 0.21 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.23 3kr5 s ASN 538 CO 0.31 -2.04 0.91 -0.55 -1.51 0.00 0.00 177.10 174.22 3kr5 s SER 539 N 6.46 7.12 0.33 -1.22 0.15 -1.26 -4.82 113.70 120.45 3kr5 s SER 539 Ca 0.64 1.70 0.14 0.00 0.70 0.00 0.00 55.95 59.12 3kr5 s SER 539 Cb -0.14 -2.53 0.56 0.00 -1.71 0.00 0.00 66.02 62.20 3kr5 s SER 539 CO 0.24 -0.18 1.70 0.50 1.20 0.00 0.00 173.24 176.70 3kr5 h LYS 540 N 2.64 0.00 0.00 5.44 1.63 -1.96 -3.39 116.57 120.93 3kr5 h LYS 540 Ca -0.48 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 3kr5 h LYS 540 Cb 1.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 3kr5 h LYS 540 CO 0.63 0.48 -1.23 0.66 -3.45 0.00 0.00 179.45 176.55 3kr5 n TYR 541 N -3.77 0.00 -2.35 1.91 4.01 -1.26 -5.05 117.16 110.64 3kr5 n TYR 541 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 3kr5 n TYR 541 Cb 0.53 -0.15 0.09 0.00 -0.31 0.00 0.00 39.34 39.50 3kr5 n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kr5 s ALA 542 N -2.08 3.31 0.32 -0.72 0.00 -1.26 -4.97 121.76 116.36 3kr5 s ALA 542 Ca -0.06 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.65 3kr5 s ALA 542 Cb 0.02 -2.35 0.54 0.00 0.00 0.00 0.00 23.12 21.33 3kr5 s ALA 542 CO 0.08 -1.44 1.83 -0.44 0.00 0.00 0.00 175.76 175.79 3kr5 h ASP 543 N -0.63 0.49 -4.73 0.00 3.32 -1.45 -3.38 116.42 110.06 3kr5 h ASP 543 Ca -0.41 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 3kr5 h ASP 543 Cb 1.28 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 3kr5 h ASP 543 CO 0.49 0.61 -0.11 -0.51 -1.72 0.00 0.00 179.24 178.00 3kr5 s ILE 544 N -4.84 0.03 0.36 0.35 2.07 -0.55 -4.46 121.20 114.15 3kr5 s ILE 544 Ca -0.07 -0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 58.70 3kr5 s ILE 544 Cb 0.15 -0.74 -0.10 0.00 0.13 0.00 0.00 42.46 41.90 3kr5 s ILE 544 CO 0.77 -0.12 0.94 0.20 -1.91 0.00 0.00 174.94 174.82 3kr5 s ASN 545 N -0.90 7.18 0.09 4.50 0.01 0.19 -0.44 114.94 125.58 3kr5 s ASN 545 Ca -0.09 1.77 -0.11 0.00 -0.71 0.00 0.00 52.86 53.72 3kr5 s ASN 545 Cb -0.03 -2.56 -0.19 0.00 0.41 0.00 0.00 41.25 38.88 3kr5 s ASN 545 CO 0.05 -0.17 1.23 -0.61 -1.51 0.00 0.00 177.10 176.09 3kr5 h GLN 546 N 2.70 0.63 -5.42 -0.60 4.15 -1.47 -3.46 115.11 111.64 3kr5 h GLN 546 Ca -0.48 -0.66 -0.41 0.00 0.77 0.00 0.00 58.65 57.87 3kr5 h GLN 546 Cb 1.19 0.19 -0.18 0.00 0.21 0.00 0.00 27.48 28.89 3kr5 h GLN 546 CO 0.63 1.26 -0.75 0.96 -1.93 0.00 0.00 178.83 179.00 3kr5 s ILE 547 N -3.33 1.36 0.47 2.39 -4.36 -1.26 -4.89 121.20 111.59 3kr5 s ILE 547 Ca -0.09 -1.78 -0.21 0.00 -0.26 0.00 0.00 60.65 58.30 3kr5 s ILE 547 Cb 0.08 -1.60 -0.08 0.00 1.25 0.00 0.00 42.46 42.11 3kr5 s ILE 547 CO 0.91 -0.45 1.09 -0.55 0.24 0.00 0.00 174.94 176.17 3kr5 s SER 548 N -2.57 6.26 -0.15 4.36 0.15 -1.26 -4.79 113.70 115.69 3kr5 s SER 548 Ca 0.11 2.09 -0.20 0.00 0.70 0.00 0.00 55.95 58.65 3kr5 s SER 548 Cb -0.04 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.45 3kr5 s SER 548 CO 0.03 -0.84 0.45 0.77 1.20 0.00 0.00 173.24 174.85 3kr5 h SER 549 N 1.79 0.17 0.00 5.45 4.64 -2.01 -3.43 113.55 120.16 3kr5 h SER 549 Ca -0.49 -0.75 -0.02 0.00 -0.47 0.00 0.00 61.79 60.06 3kr5 h SER 549 Cb 1.23 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kr5 h SER 549 CO 0.60 1.48 -0.21 0.77 -0.87 0.00 0.00 176.83 178.59 3kr5 h SER 550 N -0.68 0.00 -2.69 4.97 4.64 -1.94 -3.47 113.55 114.38 3kr5 h SER 550 Ca -0.28 -0.21 -0.56 0.00 -0.47 0.00 0.00 61.79 60.28 3kr5 h SER 550 Cb 1.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 3kr5 h SER 550 CO -0.06 0.72 1.09 -0.69 -0.87 0.00 0.00 176.83 177.02 3kr5 s VAL 551 N -1.88 3.68 -1.42 0.95 1.01 -1.26 -4.90 120.40 116.58 3kr5 s VAL 551 Ca -0.09 0.80 0.29 0.00 0.00 0.00 0.00 61.98 62.98 3kr5 s VAL 551 Cb 0.00 -3.60 0.37 0.00 0.00 0.00 0.00 36.38 33.16 3kr5 s VAL 551 CO 0.21 -0.16 1.85 0.29 0.00 0.00 0.00 175.10 177.29 3kr5 n LYS 552 N 7.33 0.44 -1.47 2.72 5.02 -1.26 -4.41 118.16 126.53 3kr5 n LYS 552 Ca 0.18 -0.13 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 3kr5 n LYS 552 Cb 0.44 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -1.17 6.01 0.25 7.82 0.00 -1.26 -4.75 120.51 127.41 3kr5 n ALA 553 Ca 0.12 -3.58 0.13 0.00 0.00 0.00 0.00 53.44 50.11 3kr5 n ALA 553 Cb 0.29 -3.46 0.61 0.00 0.00 0.00 0.00 19.45 16.89 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 5.84 0.00 0.06 0.00 4.64 -1.99 0.11 113.55 122.21 3kr5 h SER 554 Ca 0.66 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.85 3kr5 h SER 554 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3kr5 h SER 554 CO 1.83 0.12 -0.42 0.28 -0.87 0.00 0.00 176.83 177.77 3kr5 h SER 555 N 0.00 0.48 -0.01 4.97 0.02 -1.93 0.25 113.55 117.33 3kr5 h SER 555 Ca -0.00 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 3kr5 h SER 555 Cb 0.57 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.99 3kr5 h SER 555 CO 0.02 0.85 -0.55 0.40 -1.14 0.00 0.00 176.83 176.40 3kr5 h ILE 556 N 0.37 1.43 0.03 3.27 2.04 -1.37 -2.35 117.51 120.95 3kr5 h ILE 556 Ca 0.03 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.86 3kr5 h ILE 556 Cb 0.90 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3kr5 h ILE 556 CO 0.08 0.59 -0.07 0.58 0.00 0.00 0.00 178.15 179.32 3kr5 h VAL 557 N -0.13 0.82 -0.85 1.67 2.07 -1.02 0.15 116.25 118.97 3kr5 h VAL 557 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 3kr5 h VAL 557 Cb 1.26 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.76 3kr5 h VAL 557 CO 0.11 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.14 3kr5 h ALA 558 N 0.81 1.28 -0.34 1.67 0.00 -0.56 0.13 119.26 122.25 3kr5 h ALA 558 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kr5 h ALA 558 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kr5 h ALA 558 CO -0.05 -0.10 0.13 0.77 0.00 0.00 0.00 179.25 180.01 3kr5 h SER 559 N 0.62 0.47 -0.65 0.00 0.02 -0.74 -0.26 113.55 113.00 3kr5 h SER 559 Ca 0.47 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 3kr5 h SER 559 Cb 0.66 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 3kr5 h SER 559 CO -0.37 0.51 0.33 -0.07 -1.14 0.00 0.00 176.83 176.09 3kr5 h LEU 560 N 0.40 0.44 0.17 5.07 3.38 0.26 0.71 115.31 125.74 3kr5 h LEU 560 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kr5 h LEU 560 Cb 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kr5 h LEU 560 CO -0.01 0.27 -0.09 0.15 0.09 0.00 0.00 178.44 178.85 3kr5 h PHE 561 N 0.59 -0.23 -0.88 1.13 3.04 -0.39 -2.74 116.94 117.46 3kr5 h PHE 561 Ca 0.31 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.30 3kr5 h PHE 561 Cb 0.28 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.81 3kr5 h PHE 561 CO -0.11 -0.14 0.56 -0.07 -2.02 0.00 0.00 178.31 176.53 3kr5 h LEU 562 N -0.24 0.90 -1.80 0.59 3.38 -0.50 -1.77 115.31 115.87 3kr5 h LEU 562 Ca -0.02 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 3kr5 h LEU 562 Cb 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kr5 h LEU 562 CO 0.03 0.60 0.55 0.50 0.09 0.00 0.00 178.44 180.20 3kr5 h LYS 563 N 1.05 0.17 0.00 1.13 3.64 -0.56 0.26 116.57 122.25 3kr5 h LYS 563 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3kr5 h LYS 563 Cb 0.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kr5 h LYS 563 CO -0.14 0.11 0.00 0.39 -2.27 0.00 0.00 179.45 177.54 3kr5 n GLU 564 N -4.39 0.11 -0.09 1.90 -0.58 -0.67 -1.80 120.64 115.12 3kr5 n GLU 564 Ca 0.16 0.21 0.04 0.00 -0.42 0.00 0.00 57.16 57.15 3kr5 n GLU 564 Cb 0.74 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 30.19 3kr5 n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kr5 n PHE 565 N -1.38 0.25 -4.02 -0.32 3.01 0.90 -4.80 117.46 111.10 3kr5 n PHE 565 Ca 0.05 -0.42 -0.32 0.00 1.01 0.00 0.00 57.45 57.77 3kr5 n PHE 565 Cb 0.13 -0.03 -0.15 0.00 -0.01 0.00 0.00 39.48 39.42 3kr5 n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kr5 s VAL 566 N -0.94 2.34 0.01 -4.37 1.01 -0.74 -3.75 120.40 113.97 3kr5 s VAL 566 Ca 0.14 -1.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.00 3kr5 s VAL 566 Cb 0.07 -2.54 -0.26 0.00 0.00 0.00 0.00 36.38 33.66 3kr5 s VAL 566 CO 0.10 -0.31 1.08 1.56 0.00 0.00 0.00 175.10 177.53 3kr5 h GLN 567 N 7.74 0.47 0.00 2.72 1.08 -1.87 -3.43 115.11 121.82 3kr5 h GLN 567 Ca -0.13 -0.56 -0.10 0.00 -1.45 0.00 0.00 58.65 56.41 3kr5 h GLN 567 Cb 1.03 0.17 -0.17 0.00 -0.05 0.00 0.00 27.48 28.47 3kr5 h GLN 567 CO 0.50 1.20 -0.49 -1.71 -0.95 0.00 0.00 178.83 177.39 3kr5 n ASN 568 N -4.09 -0.10 -4.19 1.46 5.15 -1.26 -5.11 115.26 107.13 3kr5 n ASN 568 Ca -0.12 -1.82 -0.24 0.00 -0.60 0.00 0.00 54.58 51.80 3kr5 n ASN 568 Cb 0.78 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.88 3kr5 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr5 s THR 569 N 0.00 1.40 0.09 -0.44 2.01 -1.26 -5.09 115.64 112.34 3kr5 s THR 569 Ca 0.10 -0.95 -0.33 0.00 0.31 0.00 0.00 61.69 60.83 3kr5 s THR 569 Cb 0.12 -1.20 -0.12 0.00 0.01 0.00 0.00 72.50 71.31 3kr5 s THR 569 CO -0.05 0.23 1.78 0.00 -0.69 0.00 0.00 174.62 175.90 3kr5 n ALA 570 N 2.21 1.71 -3.33 7.40 0.00 -1.25 -4.89 120.51 122.37 3kr5 n ALA 570 Ca -0.16 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3kr5 n ALA 570 Cb 0.54 -2.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.33 3kr5 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr5 s TRP 571 N 2.57 0.00 0.10 0.00 -0.00 -1.26 -1.34 118.94 119.02 3kr5 s TRP 571 Ca 0.83 0.09 0.08 0.00 -0.00 0.00 0.00 56.10 57.10 3kr5 s TRP 571 Cb -0.58 -0.11 -0.03 0.00 -0.00 0.00 0.00 33.47 32.75 3kr5 s TRP 571 CO 0.40 -0.05 -0.19 0.00 -0.00 0.00 0.00 176.95 177.11 3kr5 s ALA 572 N 0.55 1.71 -0.09 5.86 0.00 -0.12 -0.75 121.76 128.92 3kr5 s ALA 572 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3kr5 s ALA 572 Cb -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3kr5 s ALA 572 CO -0.02 0.30 -0.07 -1.58 0.00 0.00 0.00 175.76 174.40 3kr5 s HIS 573 N -1.32 1.26 -0.32 0.00 2.46 0.14 -0.83 115.29 116.68 3kr5 s HIS 573 Ca 0.06 -0.55 -0.07 0.00 0.47 0.00 0.00 55.06 54.98 3kr5 s HIS 573 Cb -0.09 -1.07 0.03 0.00 -0.13 0.00 0.00 32.58 31.32 3kr5 s HIS 573 CO 0.04 -0.41 0.10 0.42 -2.47 0.00 0.00 174.74 172.42 3kr5 s ILE 574 N 1.50 3.84 -0.48 0.89 1.01 0.72 -0.37 121.20 128.31 3kr5 s ILE 574 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3kr5 s ILE 574 Cb -0.13 -3.11 0.04 0.00 0.01 0.00 0.00 42.46 39.27 3kr5 s ILE 574 CO -0.05 -0.09 0.63 -0.62 0.00 0.00 0.00 174.94 174.81 3kr5 s ASP 575 N 1.43 6.26 -0.25 3.58 -1.08 0.81 -0.82 116.67 126.60 3kr5 s ASP 575 Ca -0.00 -0.64 0.13 0.00 -0.52 0.00 0.00 52.55 51.51 3kr5 s ASP 575 Cb -0.19 -2.30 0.67 0.00 -1.46 0.00 0.00 42.92 39.64 3kr5 s ASP 575 CO 0.03 -0.84 1.63 2.30 0.52 0.00 0.00 175.17 178.81 3kr5 n ILE 576 N 5.72 2.65 -0.02 4.11 -5.35 0.11 -2.18 119.36 124.41 3kr5 n ILE 576 Ca -0.04 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 60.66 3kr5 n ILE 576 Cb 0.47 -0.30 0.31 0.00 -1.74 0.00 0.00 39.64 38.37 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 2.52 1.42 0.00 -1.28 0.00 -1.82 -0.84 119.26 119.25 3kr5 h ALA 577 Ca 0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3kr5 h ALA 577 Cb 1.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3kr5 h ALA 577 CO 0.48 0.42 -0.57 0.78 0.00 0.00 0.00 179.25 180.35 3kr5 h GLY 578 N 0.80 0.00 0.00 0.00 0.00 -1.81 -3.39 103.07 98.67 3kr5 h GLY 578 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3kr5 h GLY 578 CO -0.00 0.00 -1.57 1.55 0.00 0.00 0.00 176.54 176.52 3kr5 n VAL 579 N -3.10 0.15 -0.22 4.60 3.14 -0.97 -4.07 118.33 117.86 3kr5 n VAL 579 Ca 0.01 -0.30 -0.09 0.00 -2.96 0.00 0.00 64.34 61.00 3kr5 n VAL 579 Cb 0.69 0.05 0.03 0.00 -1.06 0.00 0.00 33.84 33.55 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3kr5 h SER 580 N 0.00 1.06 -3.30 6.55 0.87 -1.36 -3.42 113.55 113.95 3kr5 h SER 580 Ca -0.06 -0.29 -0.60 0.00 -1.23 0.00 0.00 61.79 59.61 3kr5 h SER 580 Cb 0.75 -0.28 -0.13 0.00 -0.44 0.00 0.00 62.40 62.30 3kr5 h SER 580 CO 0.00 1.09 -0.50 0.86 -0.53 0.00 0.00 176.83 177.76 3kr5 s TRP 581 N -5.06 3.38 -0.90 2.24 -0.11 -1.26 -0.95 118.94 116.28 3kr5 s TRP 581 Ca -0.12 0.29 -0.22 0.00 1.22 0.00 0.00 56.10 57.28 3kr5 s TRP 581 Cb 0.14 -2.16 0.08 0.00 -1.50 0.00 0.00 33.47 30.03 3kr5 s TRP 581 CO 0.86 0.25 1.24 1.21 -4.62 0.00 0.00 176.95 175.89 3kr5 s ASN 582 N 0.43 6.46 0.20 5.86 3.84 0.36 -4.89 114.94 127.19 3kr5 s ASN 582 Ca 0.07 -1.48 -0.12 0.00 0.21 0.00 0.00 52.86 51.55 3kr5 s ASN 582 Cb -0.11 -2.49 0.13 0.00 -0.55 0.00 0.00 41.25 38.23 3kr5 s ASN 582 CO -0.01 -1.38 1.86 -0.26 -2.79 0.00 0.00 177.10 174.52 3kr5 h PHE 583 N 9.45 0.80 -0.23 0.43 -1.00 -1.96 0.10 116.94 124.54 3kr5 h PHE 583 Ca 0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 3kr5 h PHE 583 Cb 1.03 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 3kr5 h PHE 583 CO 1.18 0.49 0.15 -0.22 -1.61 0.00 0.00 178.31 178.30 3kr5 h LYS 584 N 0.86 0.30 0.00 1.51 3.64 -1.95 -2.79 116.57 118.15 3kr5 h LYS 584 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3kr5 h LYS 584 Cb -0.07 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3kr5 h LYS 584 CO -0.07 0.20 -0.03 0.00 -2.27 0.00 0.00 179.45 177.29 3kr5 n ALA 585 N -2.16 2.40 -3.65 5.00 0.00 -1.06 -4.94 120.51 116.10 3kr5 n ALA 585 Ca -0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 3kr5 n ALA 585 Cb 0.03 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.10 3kr5 n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kr5 n ARG 586 N -1.51 -7.50 -3.76 0.00 1.74 0.34 -5.01 116.66 100.95 3kr5 n ARG 586 Ca 0.07 0.79 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 3kr5 n ARG 586 Cb 0.34 -5.81 -0.06 0.00 -1.02 0.00 0.00 32.46 25.90 3kr5 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr5 s LYS 587 N -6.33 0.91 0.79 5.56 -2.85 -1.06 -5.03 119.74 111.73 3kr5 s LYS 587 Ca 0.58 -0.80 -0.11 0.00 -1.00 0.00 0.00 55.97 54.64 3kr5 s LYS 587 Cb -0.26 0.39 0.07 0.00 -2.06 0.00 0.00 37.83 35.97 3kr5 s LYS 587 CO 0.75 -0.32 1.09 -2.14 0.10 0.00 0.00 175.35 174.84 3kr5 s PRO 588 N -3.62 2.08 0.00 1.78 0.02 -1.26 -0.49 135.00 133.51 3kr5 s PRO 588 Ca 0.03 1.16 0.22 0.00 0.02 0.00 0.00 61.00 62.42 3kr5 s PRO 588 Cb 0.03 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.61 3kr5 s PRO 588 CO -0.10 -1.76 1.02 1.63 -0.33 0.00 0.00 177.00 177.45 3kr5 n LYS 589 N -3.60 0.02 -3.47 5.54 5.02 -0.13 -4.67 118.16 116.88 3kr5 n LYS 589 Ca 0.09 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.11 3kr5 n LYS 589 Cb 0.53 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3kr5 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 590 N 1.50 -0.51 3.76 0.72 0.00 -1.26 -4.90 105.19 104.50 3kr5 n GLY 590 Ca 0.04 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kr5 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr5 s PHE 591 N -3.17 2.98 0.00 1.61 5.36 -1.26 -3.33 117.98 120.16 3kr5 s PHE 591 Ca 0.48 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 3kr5 s PHE 591 Cb -0.23 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 3kr5 s PHE 591 CO 0.60 -2.45 0.00 0.41 -1.46 0.00 0.00 175.22 172.31 3kr5 n GLY 592 N 1.55 2.69 0.12 13.12 0.00 -1.26 -4.66 105.19 116.76 3kr5 n GLY 592 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kr5 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr5 h VAL 593 N 0.00 0.90 -0.40 1.61 2.07 -1.77 1.00 116.25 119.66 3kr5 h VAL 593 Ca 0.00 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 3kr5 h VAL 593 Cb 0.00 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3kr5 h VAL 593 CO 0.00 0.06 -0.14 0.03 0.02 0.00 0.00 177.57 177.54 3kr5 h ARG 594 N -0.33 0.80 -0.14 1.57 3.08 -1.90 -0.59 114.38 116.86 3kr5 h ARG 594 Ca -0.02 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.75 3kr5 h ARG 594 Cb 0.26 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3kr5 h ARG 594 CO 0.04 0.95 -0.21 1.25 -1.07 0.00 0.00 179.97 180.92 3kr5 h LEU 595 N 0.61 -0.67 -0.81 3.04 5.85 -1.80 0.40 115.31 121.93 3kr5 h LEU 595 Ca 0.09 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3kr5 h LEU 595 Cb 0.68 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3kr5 h LEU 595 CO 0.05 -0.26 0.17 -0.07 -0.34 0.00 0.00 178.44 177.99 3kr5 h LEU 596 N -0.27 1.01 -0.19 2.25 3.38 -0.63 -0.79 115.31 120.07 3kr5 h LEU 596 Ca 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3kr5 h LEU 596 Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kr5 h LEU 596 CO -0.30 0.96 -0.07 0.74 0.09 0.00 0.00 178.44 179.86 3kr5 h THR 597 N 1.02 1.30 -0.42 0.22 2.02 -0.57 -0.45 112.91 116.03 3kr5 h THR 597 Ca 0.22 -1.10 0.04 0.00 0.77 0.00 0.00 66.41 66.34 3kr5 h THR 597 Cb 0.34 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3kr5 h THR 597 CO -0.00 0.33 0.18 -0.33 0.37 0.00 0.00 175.52 176.07 3kr5 h GLU 598 N 0.09 0.36 -0.34 6.66 4.39 -0.12 0.34 114.58 125.96 3kr5 h GLU 598 Ca 0.05 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.80 3kr5 h GLU 598 Cb 0.54 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 3kr5 h GLU 598 CO 0.02 0.24 -0.18 0.35 -1.16 0.00 0.00 179.01 178.28 3kr5 h PHE 599 N 0.37 -0.46 -0.22 4.33 3.57 -0.79 0.20 116.94 123.94 3kr5 h PHE 599 Ca 0.19 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3kr5 h PHE 599 Cb 0.13 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3kr5 h PHE 599 CO -0.12 -0.26 0.14 0.28 -2.23 0.00 0.00 178.31 176.11 3kr5 h VAL 600 N -0.14 1.08 -0.29 1.41 2.07 -0.65 -3.03 116.25 116.69 3kr5 h VAL 600 Ca 0.17 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3kr5 h VAL 600 Cb 0.40 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3kr5 h VAL 600 CO -0.42 0.07 -0.33 -0.07 0.02 0.00 0.00 177.57 176.85 3kr5 h LEU 601 N 0.28 0.65 -0.74 2.57 4.07 0.38 -3.01 115.31 119.51 3kr5 h LEU 601 Ca 0.08 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3kr5 h LEU 601 Cb 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3kr5 h LEU 601 CO -0.02 0.93 -0.01 0.59 -1.08 0.00 0.00 178.44 178.85 3kr5 n ASN 602 N -4.07 1.16 -0.80 -0.43 4.13 0.62 -5.03 115.26 110.84 3kr5 n ASN 602 Ca -0.01 -1.36 0.13 0.00 1.68 0.00 0.00 54.58 55.02 3kr5 n ASN 602 Cb 0.48 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 38.96 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87