#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s SER 86 N 0.00 3.26 0.12 0.00 0.01 -1.26 -5.11 113.70 110.71 3kr5 s SER 86 Ca 0.00 -0.95 -0.31 0.00 1.31 0.00 0.00 55.95 56.00 3kr5 s SER 86 Cb 0.00 -0.24 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 3kr5 s SER 86 CO 0.00 0.03 1.58 -1.61 0.41 0.00 0.00 173.24 173.65 3kr5 s GLU 87 N -3.12 4.22 -0.19 12.44 2.02 -1.26 -4.91 118.70 127.89 3kr5 s GLU 87 Ca 0.24 2.31 -0.29 0.00 0.02 0.00 0.00 54.97 57.24 3kr5 s GLU 87 Cb -0.06 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 3kr5 s GLU 87 CO 0.11 -0.64 1.43 0.08 0.02 0.00 0.00 175.26 176.25 3kr5 s VAL 88 N 1.81 3.99 0.62 2.63 1.01 -1.26 -4.96 120.40 124.23 3kr5 s VAL 88 Ca 0.71 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 3kr5 s VAL 88 Cb -0.41 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3kr5 s VAL 88 CO 0.31 -0.24 1.27 -2.84 0.00 0.00 0.00 175.10 173.60 3kr5 s PRO 89 N 4.03 2.75 0.13 2.72 0.02 -1.26 -4.96 135.00 138.42 3kr5 s PRO 89 Ca 0.62 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.70 3kr5 s PRO 89 Cb -0.23 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 3kr5 s PRO 89 CO 0.23 -1.42 -0.15 -0.65 -0.33 0.00 0.00 177.00 174.67 3kr5 s GLN 90 N -3.33 1.07 -0.19 5.54 -0.21 -1.26 -5.03 119.66 116.26 3kr5 s GLN 90 Ca 0.80 -1.26 -0.19 0.00 0.02 0.00 0.00 55.36 54.73 3kr5 s GLN 90 Cb -0.35 -1.01 -0.15 0.00 1.00 0.00 0.00 33.01 32.49 3kr5 s GLN 90 CO 0.38 0.20 0.12 0.28 -2.12 0.00 0.00 175.29 174.15 3kr5 n VAL 91 N 0.53 1.51 -4.44 1.09 0.31 -1.26 -4.99 118.33 111.08 3kr5 n VAL 91 Ca -0.15 0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 63.97 3kr5 n VAL 91 Cb 0.57 -2.12 -0.10 0.00 -0.91 0.00 0.00 33.84 31.28 3kr5 n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kr5 s VAL 92 N -2.34 2.20 0.15 2.52 -7.23 -1.26 -5.04 120.40 109.40 3kr5 s VAL 92 Ca -0.26 -2.31 0.33 0.00 -1.81 0.00 0.00 61.98 57.93 3kr5 s VAL 92 Cb 0.05 -2.29 0.38 0.00 0.56 0.00 0.00 36.38 35.08 3kr5 s VAL 92 CO 0.51 -0.42 2.00 0.77 -0.31 0.00 0.00 175.10 177.65 3kr5 h SER 93 N 2.31 0.00 0.51 4.85 4.64 -2.03 -0.17 113.55 123.66 3kr5 h SER 93 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kr5 h SER 93 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kr5 h SER 93 CO 0.62 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.79 3kr5 n LEU 94 N -3.13 0.00 -4.72 5.97 4.77 -1.26 -4.77 117.00 113.86 3kr5 n LEU 94 Ca 0.00 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 3kr5 n LEU 94 Cb 0.30 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3kr5 n LEU 94 CO 0.27 -0.09 0.94 -1.81 -1.33 0.00 0.00 177.39 175.38 3kr5 s ASP 95 N -2.68 7.00 0.39 -1.43 1.01 -0.08 -4.99 116.67 115.88 3kr5 s ASP 95 Ca 0.18 2.15 -0.24 0.00 0.71 0.00 0.00 52.55 55.36 3kr5 s ASP 95 Cb 0.15 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3kr5 s ASP 95 CO 0.36 -0.51 1.01 -2.16 0.21 0.00 0.00 175.17 174.08 3kr5 s PRO 96 N 0.82 4.25 -0.19 8.23 0.04 -1.26 -4.98 135.00 141.92 3kr5 s PRO 96 Ca 0.59 1.41 0.16 0.00 0.04 0.00 0.00 61.00 63.20 3kr5 s PRO 96 Cb -0.32 -2.53 0.46 0.00 0.04 0.00 0.00 34.50 32.15 3kr5 s PRO 96 CO 0.31 -0.05 1.35 0.25 0.04 0.00 0.00 177.00 178.90 3kr5 n THR 97 N -0.05 2.22 -3.48 1.26 -2.24 -1.26 -4.79 114.28 105.94 3kr5 n THR 97 Ca 0.05 -2.17 -0.10 0.00 -2.27 0.00 0.00 64.05 59.56 3kr5 n THR 97 Cb 0.50 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.33 -0.43 -0.15 3.42 1.04 -1.26 -4.66 113.70 109.33 3kr5 s SER 98 Ca 0.40 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.61 3kr5 s SER 98 Cb 0.34 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.89 3kr5 s SER 98 CO 0.05 -0.74 0.64 -0.63 0.98 0.00 0.00 173.24 173.53 3kr5 s ILE 99 N -3.34 5.05 -0.08 -1.02 1.01 -1.26 -4.80 121.20 116.76 3kr5 s ILE 99 Ca 0.04 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 3kr5 s ILE 99 Cb -0.01 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3kr5 s ILE 99 CO -0.10 0.18 1.45 -2.16 0.00 0.00 0.00 174.94 174.31 3kr5 s PRO 100 N 1.41 4.23 -0.08 2.79 0.04 -1.26 -5.01 135.00 137.11 3kr5 s PRO 100 Ca 0.31 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.33 3kr5 s PRO 100 Cb -0.16 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.58 3kr5 s PRO 100 CO 0.13 -0.73 -0.19 0.42 0.04 0.00 0.00 177.00 176.67 3kr5 s ILE 101 N 3.44 1.66 -0.45 0.56 1.01 -1.26 -5.01 121.20 121.15 3kr5 s ILE 101 Ca 0.64 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 3kr5 s ILE 101 Cb -0.28 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.76 3kr5 s ILE 101 CO 0.23 0.47 0.61 -0.70 0.00 0.00 0.00 174.94 175.55 3kr5 s GLU 102 N 0.36 3.21 -0.18 2.79 2.12 -1.26 -4.90 118.70 120.85 3kr5 s GLU 102 Ca -0.14 -0.54 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 3kr5 s GLU 102 Cb -0.16 -3.99 -0.15 0.00 0.26 0.00 0.00 34.13 30.09 3kr5 s GLU 102 CO 0.06 -1.03 0.18 1.88 -0.54 0.00 0.00 175.26 175.80 3kr5 h TYR 103 N 8.89 0.00 -1.47 5.30 -1.99 -2.02 -3.42 116.97 122.25 3kr5 h TYR 103 Ca -0.26 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.82 3kr5 h TYR 103 Cb 1.10 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.71 3kr5 h TYR 103 CO 0.72 1.01 1.49 -0.80 -0.00 0.00 0.00 178.16 180.58 3kr5 s ASN 104 N -6.45 6.67 0.47 3.88 0.01 -1.26 -4.98 114.94 113.28 3kr5 s ASN 104 Ca -0.23 -1.98 -0.13 0.00 -0.71 0.00 0.00 52.86 49.80 3kr5 s ASN 104 Cb 0.04 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.11 3kr5 s ASN 104 CO 0.49 -1.25 0.89 0.42 -1.51 0.00 0.00 177.10 176.14 3kr5 s THR 105 N 3.91 4.66 0.52 1.60 -4.23 -1.26 -4.94 115.64 115.90 3kr5 s THR 105 Ca 0.44 0.92 0.31 0.00 -1.18 0.00 0.00 61.69 62.19 3kr5 s THR 105 Cb -0.00 -3.73 0.49 0.00 1.34 0.00 0.00 72.50 70.59 3kr5 s THR 105 CO -0.05 -0.63 1.86 -0.65 -0.54 0.00 0.00 174.62 174.61 3kr5 h PRO 106 N 1.02 0.04 0.00 3.99 0.11 -2.00 0.16 132.00 135.32 3kr5 h PRO 106 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kr5 h PRO 106 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kr5 h PRO 106 CO 0.63 0.03 -0.01 0.82 -0.21 0.00 0.00 178.00 179.26 3kr5 h ILE 107 N 0.04 0.49 -0.00 4.15 1.08 -1.93 -1.04 117.51 120.29 3kr5 h ILE 107 Ca 0.47 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.91 3kr5 h ILE 107 Cb 1.81 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 3kr5 h ILE 107 CO -0.03 0.01 -0.02 1.41 -0.69 0.00 0.00 178.15 178.82 3kr5 n HIS 108 N -3.77 0.00 0.84 1.37 8.25 0.55 -2.72 115.22 119.73 3kr5 n HIS 108 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.54 3kr5 n HIS 108 Cb 0.09 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 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 -1.42 0.75 -4.66 0.41 8.00 -0.40 -4.87 116.55 114.35 3kr5 n ASP 109 Ca 0.09 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 3kr5 n ASP 109 Cb 0.31 0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 42.25 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 -3.08 3.89 -0.18 0.53 1.01 -1.10 -4.75 121.20 117.53 3kr5 s ILE 110 Ca 0.07 1.07 -0.25 0.00 0.00 0.00 0.00 60.65 61.54 3kr5 s ILE 110 Cb 0.16 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3kr5 s ILE 110 CO 0.82 -0.13 0.82 -0.54 0.00 0.00 0.00 174.94 175.91 3kr5 s LYS 111 N 3.90 4.28 -0.06 2.79 1.02 -1.13 -4.86 119.74 125.67 3kr5 s LYS 111 Ca 0.65 0.99 0.02 0.00 0.02 0.00 0.00 55.97 57.65 3kr5 s LYS 111 Cb -0.27 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3kr5 s LYS 111 CO 0.23 -0.34 -0.11 0.08 -0.92 0.00 0.00 175.35 174.29 3kr5 s VAL 112 N 2.18 3.32 -0.02 3.17 1.01 -1.26 -0.16 120.40 128.65 3kr5 s VAL 112 Ca 0.37 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kr5 s VAL 112 Cb -0.16 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kr5 s VAL 112 CO 0.12 0.59 0.02 -1.10 0.00 0.00 0.00 175.10 174.73 3kr5 s GLN 113 N -0.65 0.04 -0.10 2.72 -1.52 0.92 -4.96 119.66 116.11 3kr5 s GLN 113 Ca 0.10 0.15 -0.01 0.00 -1.95 0.00 0.00 55.36 53.65 3kr5 s GLN 113 Cb -0.11 -0.29 -0.03 0.00 -0.22 0.00 0.00 33.01 32.36 3kr5 s GLN 113 CO 0.01 -0.15 -0.06 0.08 -0.25 0.00 0.00 175.29 174.92 3kr5 s VAL 114 N 1.00 3.75 0.04 1.09 1.01 -1.25 0.14 120.40 126.19 3kr5 s VAL 114 Ca -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3kr5 s VAL 114 Cb -0.12 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3kr5 s VAL 114 CO -0.03 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 3kr5 s TYR 115 N -0.41 1.07 0.09 5.22 1.51 0.27 -4.94 117.35 120.16 3kr5 s TYR 115 Ca 0.06 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 3kr5 s TYR 115 Cb -0.12 -0.63 -0.06 0.00 -0.11 0.00 0.00 41.96 41.03 3kr5 s TYR 115 CO 0.02 0.01 1.23 0.34 -1.11 0.00 0.00 175.55 176.05 3kr5 s ASP 116 N -1.22 7.04 0.58 2.29 -1.08 -1.26 -1.41 116.67 121.61 3kr5 s ASP 116 Ca -0.01 2.11 0.32 0.00 -0.52 0.00 0.00 52.55 54.45 3kr5 s ASP 116 Cb -0.08 -2.59 1.78 0.00 -1.46 0.00 0.00 42.92 40.57 3kr5 s ASP 116 CO 0.01 -0.48 2.20 0.40 0.52 0.00 0.00 175.17 177.82 3kr5 h ILE 117 N 4.32 0.42 -0.64 4.11 2.04 -1.85 -2.55 117.51 123.36 3kr5 h ILE 117 Ca -0.42 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.34 3kr5 h ILE 117 Cb 1.21 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 3kr5 h ILE 117 CO 0.81 0.04 0.17 0.11 0.00 0.00 0.00 178.15 179.28 3kr5 h LYS 118 N 0.00 0.30 0.00 2.37 6.56 -1.91 -1.17 116.57 122.71 3kr5 h LYS 118 Ca -0.00 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 3kr5 h LYS 118 Cb 0.15 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 3kr5 h LYS 118 CO 0.01 0.20 -0.04 0.78 -2.06 0.00 0.00 179.45 178.33 3kr5 h GLY 119 N 0.30 0.00 0.00 3.86 0.00 -1.86 -3.48 103.07 101.90 3kr5 h GLY 119 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kr5 h GLY 119 CO -0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.74 3kr5 n GLY 120 N -0.87 2.00 3.49 4.60 0.00 -0.44 -4.97 105.19 109.00 3kr5 n GLY 120 Ca -0.02 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 1.70 6.85 -0.46 0.00 0.01 -1.26 -1.82 114.94 119.96 3kr5 s ASN 122 Ca 0.06 0.92 -0.07 0.00 -0.71 0.00 0.00 52.86 53.05 3kr5 s ASN 122 Cb -0.18 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.05 3kr5 s ASN 122 CO 0.10 -0.98 0.31 -0.69 -1.51 0.00 0.00 177.10 174.34 3kr5 s VAL 123 N 3.87 3.96 0.00 1.60 1.01 -1.26 -5.00 120.40 124.57 3kr5 s VAL 123 Ca 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.55 3kr5 s VAL 123 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3kr5 s VAL 123 CO 0.19 -0.76 0.00 -0.62 0.00 0.00 0.00 175.10 173.92 3kr5 n GLU 124 N 4.79 0.00 -1.34 2.72 1.02 -1.26 -4.99 120.64 121.58 3kr5 n GLU 124 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.77 3kr5 n GLU 124 Cb 0.41 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.91 3kr5 n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kr5 s GLU 125 N 3.32 2.40 1.36 3.49 1.03 -1.26 -4.33 118.70 124.70 3kr5 s GLU 125 Ca 0.00 1.15 0.00 0.00 0.03 0.00 0.00 54.97 56.15 3kr5 s GLU 125 Cb 0.00 -1.91 0.00 0.00 -0.80 0.00 0.00 34.13 31.42 3kr5 s GLU 125 CO 0.00 -1.53 0.00 0.41 -1.33 0.00 0.00 175.26 172.81 3kr5 n GLY 126 N -1.27 -1.12 3.29 -3.83 0.00 -1.26 -4.81 105.19 96.19 3kr5 n GLY 126 Ca 0.09 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 2.49 -0.33 0.99 2.96 0.09 -3.11 118.68 121.77 3kr5 s LEU 127 Ca 0.00 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3kr5 s LEU 127 Cb 0.00 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.20 3kr5 s LEU 127 CO 0.00 0.12 0.06 -0.89 -1.32 0.00 0.00 176.35 174.32 3kr5 s THR 128 N 0.63 3.18 -0.14 3.68 2.01 0.14 -0.09 115.64 125.05 3kr5 s THR 128 Ca -0.09 -1.51 -0.08 0.00 0.31 0.00 0.00 61.69 60.33 3kr5 s THR 128 Cb -0.16 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3kr5 s THR 128 CO 0.03 -0.26 0.13 -0.63 -0.69 0.00 0.00 174.62 173.20 3kr5 s ILE 129 N 1.25 5.40 -0.15 1.82 -1.09 0.25 0.03 121.20 128.71 3kr5 s ILE 129 Ca -0.01 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 3kr5 s ILE 129 Cb -0.20 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3kr5 s ILE 129 CO -0.01 0.56 0.07 -0.36 -1.23 0.00 0.00 174.94 173.97 3kr5 s PHE 130 N -0.59 3.32 -0.44 3.97 0.40 0.11 0.45 117.98 125.20 3kr5 s PHE 130 Ca 0.13 0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 3kr5 s PHE 130 Cb -0.12 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.46 3kr5 s PHE 130 CO 0.02 0.37 0.45 -0.51 0.70 0.00 0.00 175.22 176.25 3kr5 s LEU 131 N -0.24 4.96 -0.04 -0.37 1.43 0.02 0.68 118.68 125.13 3kr5 s LEU 131 Ca 0.08 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 3kr5 s LEU 131 Cb -0.12 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 3kr5 s LEU 131 CO 0.01 -0.62 -0.17 0.68 0.23 0.00 0.00 176.35 176.48 3kr5 s VAL 132 N 2.13 1.41 0.52 -1.59 -7.23 -0.33 -1.51 120.40 113.79 3kr5 s VAL 132 Ca 0.11 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 3kr5 s VAL 132 Cb -0.18 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.59 3kr5 s VAL 132 CO 0.13 0.41 0.32 -0.46 -0.31 0.00 0.00 175.10 175.18 3kr5 n ASN 133 N 3.05 2.80 -3.53 4.85 0.23 -1.26 0.73 115.26 122.14 3kr5 n ASN 133 Ca -0.17 -2.87 -0.28 0.00 -0.53 0.00 0.00 54.58 50.72 3kr5 n ASN 133 Cb 0.53 0.03 -0.12 0.00 -2.08 0.00 0.00 39.78 38.14 3kr5 n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 134 N -4.01 2.81 -0.10 0.53 3.84 -0.96 -4.79 114.94 112.26 3kr5 s ASN 134 Ca 0.24 -2.64 -0.41 0.00 0.21 0.00 0.00 52.86 50.26 3kr5 s ASN 134 Cb -0.02 -0.64 -0.20 0.00 -0.55 0.00 0.00 41.25 39.85 3kr5 s ASN 134 CO 0.16 -0.25 1.21 -2.65 -2.79 0.00 0.00 177.10 172.78 3kr5 n PRO 135 N 3.46 0.11 0.00 0.43 -0.02 -1.26 -2.10 135.00 135.62 3kr5 n PRO 135 Ca 0.17 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3kr5 n PRO 135 Cb 0.39 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3kr5 n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 136 N 2.12 1.39 3.56 -1.23 0.00 0.79 -4.89 105.19 106.93 3kr5 n GLY 136 Ca 0.22 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3kr5 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s LYS 137 N 0.00 3.21 0.08 1.61 0.00 -0.89 -4.97 119.74 118.78 3kr5 s LYS 137 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 55.97 55.07 3kr5 s LYS 137 Cb 0.00 -4.89 -0.12 0.00 0.00 0.00 0.00 37.83 32.82 3kr5 s LYS 137 CO 0.00 -2.44 1.78 -1.91 0.00 0.00 0.00 175.35 172.78 3kr5 n GLU 138 N 9.05 2.47 -2.60 1.78 4.07 -1.26 -1.00 120.64 133.15 3kr5 n GLU 138 Ca 0.25 0.90 -0.15 0.00 -0.06 0.00 0.00 57.16 58.10 3kr5 n GLU 138 Cb 0.50 -2.75 -0.00 0.00 -0.06 0.00 0.00 31.44 29.13 3kr5 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kr5 n ASN 139 N 5.30 -4.14 -4.22 4.31 4.13 -1.26 -4.97 115.26 114.41 3kr5 n ASN 139 Ca 0.19 0.07 -0.29 0.00 1.68 0.00 0.00 54.58 56.23 3kr5 n ASN 139 Cb 0.33 -3.49 0.23 0.00 -1.54 0.00 0.00 39.78 35.31 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 -2.17 1.54 0.66 7.41 0.00 -0.17 -4.49 107.32 110.11 3kr5 s GLY 140 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 44.72 44.09 3kr5 s GLY 140 CO 0.09 0.20 1.07 2.56 0.00 0.00 0.00 173.10 177.02 3kr5 s PRO 141 N -5.02 3.00 0.18 2.90 0.04 -1.26 -0.80 135.00 134.04 3kr5 s PRO 141 Ca 0.68 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3kr5 s PRO 141 Cb -0.16 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3kr5 s PRO 141 CO 0.59 -1.06 1.00 0.08 0.04 0.00 0.00 177.00 177.64 3kr5 s VAL 142 N -2.73 4.14 -0.04 -0.36 1.01 0.28 -4.63 120.40 118.07 3kr5 s VAL 142 Ca 0.61 1.93 0.01 0.00 0.00 0.00 0.00 61.98 64.54 3kr5 s VAL 142 Cb -0.16 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3kr5 s VAL 142 CO 0.47 0.37 -0.04 -0.54 0.00 0.00 0.00 175.10 175.35 3kr5 s LYS 143 N -0.57 0.81 -0.33 2.72 1.02 -1.26 -4.06 119.74 118.07 3kr5 s LYS 143 Ca 0.45 -0.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.19 3kr5 s LYS 143 Cb -0.26 -0.83 -0.02 0.00 -0.52 0.00 0.00 37.83 36.21 3kr5 s LYS 143 CO 0.32 -0.08 0.37 0.42 -0.92 0.00 0.00 175.35 175.47 3kr5 s ILE 144 N 0.91 5.16 -0.10 2.17 -1.09 -1.26 -4.95 121.20 122.04 3kr5 s ILE 144 Ca -0.11 0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 3kr5 s ILE 144 Cb -0.14 -3.81 -0.27 0.00 -1.58 0.00 0.00 42.46 36.65 3kr5 s ILE 144 CO 0.00 -0.05 0.50 0.77 -1.23 0.00 0.00 174.94 174.92 3kr5 h SER 145 N 8.41 0.45 -4.05 3.58 4.64 -1.97 -3.48 113.55 121.14 3kr5 h SER 145 Ca -0.30 -0.90 -0.56 0.00 -0.47 0.00 0.00 61.79 59.56 3kr5 h SER 145 Cb 1.15 -0.15 0.15 0.00 -0.31 0.00 0.00 62.40 63.24 3kr5 h SER 145 CO 0.69 1.76 0.55 -1.20 -0.87 0.00 0.00 176.83 177.76 3kr5 n SER 146 N -3.68 2.34 -4.74 4.97 7.64 -1.26 -4.96 113.62 113.92 3kr5 n SER 146 Ca -0.28 0.90 -0.41 0.00 1.01 0.00 0.00 58.87 60.09 3kr5 n SER 146 Cb 1.00 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 3kr5 n SER 146 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3kr5 s LYS 147 N -3.13 4.41 -0.17 1.43 2.20 -1.26 -4.94 119.74 118.28 3kr5 s LYS 147 Ca 0.77 2.03 -0.01 0.00 -0.36 0.00 0.00 55.97 58.41 3kr5 s LYS 147 Cb -0.40 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3kr5 s LYS 147 CO 0.45 -0.19 -0.13 0.08 -0.36 0.00 0.00 175.35 175.19 3kr5 s VAL 148 N -0.15 2.78 -1.41 4.02 1.01 -1.26 0.97 120.40 126.36 3kr5 s VAL 148 Ca 0.54 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3kr5 s VAL 148 Cb -0.36 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 33.89 3kr5 s VAL 148 CO 0.40 0.50 2.29 0.59 0.00 0.00 0.00 175.10 178.88 3kr5 n ASN 149 N 4.28 6.00 -3.32 3.32 3.02 -0.76 -4.62 115.26 123.18 3kr5 n ASN 149 Ca -0.19 -2.93 0.02 0.00 -0.03 0.00 0.00 54.58 51.45 3kr5 n ASN 149 Cb 0.51 -1.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.12 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 1.71 -0.40 0.22 6.41 2.15 -1.26 -4.82 116.67 120.68 3kr5 s ASP 150 Ca 0.50 0.54 -0.09 0.00 0.43 0.00 0.00 52.55 53.93 3kr5 s ASP 150 Cb 0.14 1.45 0.23 0.00 -0.30 0.00 0.00 42.92 44.45 3kr5 s ASP 150 CO -0.05 -0.08 1.85 0.07 -0.17 0.00 0.00 175.17 176.78 3kr5 h LYS 151 N 7.37 0.85 -0.04 4.34 2.10 -1.98 -1.59 116.57 127.64 3kr5 h LYS 151 Ca -0.15 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 3kr5 h LYS 151 Cb 1.12 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.26 3kr5 h LYS 151 CO 0.07 0.57 -0.01 1.96 -2.00 0.00 0.00 179.45 180.03 3kr5 h GLN 152 N 0.88 0.07 0.21 0.07 1.08 -1.89 0.18 115.11 115.71 3kr5 h GLN 152 Ca 0.31 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 3kr5 h GLN 152 Cb 0.07 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3kr5 h GLN 152 CO -0.13 0.44 -0.10 0.28 -0.95 0.00 0.00 178.83 178.36 3kr5 h VAL 153 N -0.30 0.88 -0.44 -0.54 2.07 -1.84 0.60 116.25 116.69 3kr5 h VAL 153 Ca 0.01 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3kr5 h VAL 153 Cb 0.41 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3kr5 h VAL 153 CO 0.00 0.14 -0.26 -1.20 0.02 0.00 0.00 177.57 176.28 3kr5 n SER 154 N -5.07 -0.46 -0.25 0.57 7.64 -0.60 0.51 113.62 115.96 3kr5 n SER 154 Ca -0.09 1.28 0.01 0.00 1.01 0.00 0.00 58.87 61.08 3kr5 n SER 154 Cb 0.24 -0.35 0.08 0.00 -1.01 0.00 0.00 64.21 63.17 3kr5 n SER 154 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3kr5 h GLU 155 N 0.00 -0.00 -0.68 1.43 4.57 -0.55 0.31 114.58 119.67 3kr5 h GLU 155 Ca 0.07 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3kr5 h GLU 155 Cb 0.18 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3kr5 h GLU 155 CO -0.41 -0.00 0.40 0.35 -1.18 0.00 0.00 179.01 178.17 3kr5 h PHE 156 N -0.00 0.75 -0.41 0.92 3.57 0.18 -2.42 116.94 119.52 3kr5 h PHE 156 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3kr5 h PHE 156 Cb 0.53 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3kr5 h PHE 156 CO -0.58 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.17 3kr5 n LEU 157 N -4.73 3.42 -4.74 0.59 4.77 0.18 -4.67 117.00 111.83 3kr5 n LEU 157 Ca 0.08 -1.73 -0.34 0.00 -0.03 0.00 0.00 56.01 53.99 3kr5 n LEU 157 Cb 0.13 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 3kr5 n LEU 157 CO 0.31 0.55 0.78 -1.59 -1.33 0.00 0.00 177.39 176.11 3kr5 s LYS 158 N -1.82 2.32 0.21 3.23 -2.85 0.21 -4.42 119.74 116.62 3kr5 s LYS 158 Ca 0.34 1.64 -0.09 0.00 -1.00 0.00 0.00 55.97 56.86 3kr5 s LYS 158 Cb 0.22 -1.87 0.30 0.00 -2.06 0.00 0.00 37.83 34.42 3kr5 s LYS 158 CO 0.15 -1.67 1.75 -0.44 0.10 0.00 0.00 175.35 175.23 3kr5 h ASP 159 N -0.22 0.26 -0.64 0.03 5.19 -1.90 -1.26 116.42 117.88 3kr5 h ASP 159 Ca -0.47 0.08 0.18 0.00 -0.62 0.00 0.00 57.03 56.20 3kr5 h ASP 159 Cb 1.28 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 3kr5 h ASP 159 CO 0.51 0.15 0.46 -0.08 -3.12 0.00 0.00 179.24 177.16 3kr5 h GLU 160 N 0.44 0.03 0.00 3.56 4.81 -1.95 0.45 114.58 121.92 3kr5 h GLU 160 Ca 0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3kr5 h GLU 160 Cb 0.39 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3kr5 h GLU 160 CO -0.31 0.02 -0.69 -0.91 -0.73 0.00 0.00 179.01 176.40 3kr5 h ASN 161 N 0.04 0.00 -0.01 1.04 2.35 -1.50 -3.37 115.58 114.12 3kr5 h ASN 161 Ca 0.31 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3kr5 h ASN 161 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3kr5 h ASN 161 CO -0.01 0.01 -0.60 0.23 -1.65 0.00 0.00 177.43 175.40 3kr5 n MET 162 N -2.76 0.95 -0.00 0.81 2.81 0.12 -4.35 117.12 114.69 3kr5 n MET 162 Ca 0.01 -0.73 0.14 0.00 -1.81 0.00 0.00 57.70 55.31 3kr5 n MET 162 Cb 0.54 -1.47 0.75 0.00 -0.71 0.00 0.00 33.22 32.32 3kr5 n MET 162 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3kr5 n GLU 163 N -0.41 1.26 0.00 0.03 0.28 -1.05 -2.34 120.64 118.41 3kr5 n GLU 163 Ca 0.08 -0.38 0.14 0.00 -0.16 0.00 0.00 57.16 56.83 3kr5 n GLU 163 Cb 0.43 -1.47 0.66 0.00 1.43 0.00 0.00 31.44 32.48 3kr5 n GLU 163 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3kr5 n LYS 164 N -0.52 0.21 -4.41 3.44 0.00 -1.26 -4.83 118.16 110.79 3kr5 n LYS 164 Ca 0.21 0.02 -0.27 0.00 -0.00 0.00 0.00 58.31 58.27 3kr5 n LYS 164 Cb 0.20 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.61 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kr5 s PHE 165 N -2.78 2.33 0.17 5.58 0.08 -0.99 -5.05 117.98 117.31 3kr5 s PHE 165 Ca 0.20 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 56.99 3kr5 s PHE 165 Cb 0.19 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 3kr5 s PHE 165 CO 0.47 0.50 -0.17 0.54 -0.10 0.00 0.00 175.22 176.46 3kr5 s ASN 166 N -2.66 2.59 -0.05 1.36 2.20 -1.26 -0.56 114.94 116.56 3kr5 s ASN 166 Ca 0.21 -0.89 0.12 0.00 -0.94 0.00 0.00 52.86 51.36 3kr5 s ASN 166 Cb -0.08 -0.14 0.44 0.00 -2.00 0.00 0.00 41.25 39.47 3kr5 s ASN 166 CO 0.10 -0.07 1.31 1.33 -2.94 0.00 0.00 177.10 176.83 3kr5 n VAL 167 N 0.17 0.99 -1.66 3.54 0.24 0.02 -4.77 118.33 116.87 3kr5 n VAL 167 Ca -0.12 -0.70 -0.61 0.00 -2.04 0.00 0.00 64.34 60.86 3kr5 n VAL 167 Cb 0.58 0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.68 0.39 -0.83 7.34 4.81 -1.26 -0.16 118.16 129.13 3kr5 n LYS 168 Ca 0.16 0.14 -0.32 0.00 -0.87 0.00 0.00 58.31 57.42 3kr5 n LYS 168 Cb 0.54 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 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 3.47 0.49 0.00 3.14 7.94 -1.26 -0.79 117.00 129.99 3kr5 n LEU 169 Ca 0.26 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 3kr5 n LEU 169 Cb 0.05 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 43.57 3kr5 n LEU 169 CO 0.77 -0.50 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 3kr5 n GLY 170 N 1.74 0.93 3.85 -3.96 0.00 0.54 -4.86 105.19 103.43 3kr5 n GLY 170 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.55 3.78 0.11 2.61 -1.32 0.03 -4.73 115.64 112.56 3kr5 s THR 171 Ca 0.00 0.58 -0.18 0.00 -1.21 0.00 0.00 61.69 60.87 3kr5 s THR 171 Cb 0.00 -3.48 0.04 0.00 -1.51 0.00 0.00 72.50 67.55 3kr5 s THR 171 CO 0.00 -0.76 0.45 -0.94 -2.21 0.00 0.00 174.62 171.17 3kr5 s SER 172 N -4.13 -0.32 0.06 8.08 1.04 -1.26 -0.20 113.70 116.97 3kr5 s SER 172 Ca 0.58 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 3kr5 s SER 172 Cb -0.12 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3kr5 s SER 172 CO 0.53 -0.82 0.06 -0.54 0.98 0.00 0.00 173.24 173.45 3kr5 s LYS 173 N -3.38 0.68 -0.10 4.02 -0.14 -1.06 -5.00 119.74 114.75 3kr5 s LYS 173 Ca 0.00 -1.06 0.01 0.00 -1.36 0.00 0.00 55.97 53.57 3kr5 s LYS 173 Cb 0.01 0.25 -0.02 0.00 -1.68 0.00 0.00 37.83 36.39 3kr5 s LYS 173 CO -0.09 -0.17 -0.14 -1.01 -0.76 0.00 0.00 175.35 173.19 3kr5 s HIS 174 N -3.67 2.77 0.19 3.18 3.76 -1.26 -2.83 115.29 117.42 3kr5 s HIS 174 Ca 0.04 -0.49 0.10 0.00 -0.15 0.00 0.00 55.06 54.56 3kr5 s HIS 174 Cb 0.05 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 3kr5 s HIS 174 CO -0.09 -0.09 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.49 3kr5 s PHE 175 N -0.00 2.49 -0.07 1.40 2.99 0.39 -4.97 117.98 120.21 3kr5 s PHE 175 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 56.93 56.58 3kr5 s PHE 175 Cb -0.14 -1.22 0.04 0.00 0.00 0.00 0.00 43.02 41.69 3kr5 s PHE 175 CO 0.04 0.51 0.15 -0.47 -0.00 0.00 0.00 175.22 175.45 3kr5 s TYR 176 N -1.70 -0.18 0.23 0.36 5.04 -1.26 -2.49 117.35 117.37 3kr5 s TYR 176 Ca 0.23 0.52 -0.22 0.00 -2.44 0.00 0.00 57.07 55.16 3kr5 s TYR 176 Cb -0.08 -0.09 0.04 0.00 0.35 0.00 0.00 41.96 42.17 3kr5 s TYR 176 CO 0.13 -0.18 0.74 0.00 -1.34 0.00 0.00 175.55 174.89 3kr5 s MET 177 N 1.30 1.59 -0.18 4.97 0.23 -1.18 -5.03 119.30 121.00 3kr5 s MET 177 Ca -0.08 -0.84 -0.04 0.00 -1.03 0.00 0.00 55.69 53.70 3kr5 s MET 177 Cb -0.12 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.73 3kr5 s MET 177 CO -0.06 -0.72 -0.02 -0.06 -2.03 0.00 0.00 175.02 172.13 3kr5 s PHE 178 N -3.78 3.03 0.00 3.16 0.08 -1.26 -1.13 117.98 118.08 3kr5 s PHE 178 Ca 0.09 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3kr5 s PHE 178 Cb -0.04 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3kr5 s PHE 178 CO 0.02 -0.15 0.00 0.27 -0.10 0.00 0.00 175.22 175.26 3kr5 n ASN 179 N 3.93 0.00 0.31 1.36 0.23 0.18 -4.72 115.26 116.55 3kr5 n ASN 179 Ca -0.17 -0.80 0.20 0.00 -0.53 0.00 0.00 54.58 53.28 3kr5 n ASN 179 Cb 0.52 0.00 1.00 0.00 -2.08 0.00 0.00 39.78 39.22 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 -0.42 0.53 5.19 -1.93 -2.80 116.42 117.00 3kr5 h ASP 180 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 3kr5 h ASP 180 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 3kr5 h ASP 180 CO 0.00 0.02 0.04 0.59 -3.12 0.00 0.00 179.24 176.77 3kr5 n ASN 181 N -3.22 3.17 -1.72 6.45 5.03 -1.26 -4.92 115.26 118.79 3kr5 n ASN 181 Ca -0.02 -3.50 -0.20 0.00 0.87 0.00 0.00 54.58 51.73 3kr5 n ASN 181 Cb 0.15 -0.64 -0.06 0.00 -1.02 0.00 0.00 39.78 38.21 3kr5 n ASN 181 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3kr5 n LYS 182 N -0.89 -1.43 -4.06 3.52 2.85 -1.05 -4.97 118.16 112.12 3kr5 n LYS 182 Ca 0.33 1.13 -0.35 0.00 -1.05 0.00 0.00 58.31 58.38 3kr5 n LYS 182 Cb 1.08 -5.55 -0.07 0.00 -0.65 0.00 0.00 35.03 29.85 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kr5 s ASN 183 N -2.61 5.92 0.01 -5.58 0.01 -1.26 -4.82 114.94 106.61 3kr5 s ASN 183 Ca 0.00 0.29 -0.24 0.00 -0.71 0.00 0.00 52.86 52.19 3kr5 s ASN 183 Cb 0.00 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 3kr5 s ASN 183 CO 0.00 0.34 0.74 -0.94 -1.51 0.00 0.00 177.10 175.74 3kr5 s SER 184 N -1.32 7.14 0.13 -1.22 1.04 -1.26 0.51 113.70 118.72 3kr5 s SER 184 Ca 0.19 1.37 0.07 0.00 0.48 0.00 0.00 55.95 58.05 3kr5 s SER 184 Cb -0.12 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3kr5 s SER 184 CO 0.08 -0.02 -0.16 0.68 0.98 0.00 0.00 173.24 174.80 3kr5 s VAL 185 N 0.20 1.54 -0.24 5.02 -7.23 -0.29 -4.82 120.40 114.58 3kr5 s VAL 185 Ca 0.38 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3kr5 s VAL 185 Cb -0.20 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.14 3kr5 s VAL 185 CO 0.21 -0.34 -0.08 0.00 -0.31 0.00 0.00 175.10 174.59 3kr5 s ALA 186 N -1.97 2.65 0.27 1.32 0.00 -1.18 -3.09 121.76 119.76 3kr5 s ALA 186 Ca 0.11 -1.45 0.09 0.00 0.00 0.00 0.00 51.96 50.71 3kr5 s ALA 186 Cb -0.06 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 3kr5 s ALA 186 CO 0.04 -0.77 -0.14 0.08 0.00 0.00 0.00 175.76 174.97 3kr5 s VAL 187 N 1.31 2.07 0.00 0.00 1.01 -1.04 0.25 120.40 124.00 3kr5 s VAL 187 Ca 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 61.98 59.71 3kr5 s VAL 187 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kr5 s VAL 187 CO -0.05 -0.40 0.04 0.61 0.00 0.00 0.00 175.10 175.29 3kr5 n GLY 188 N -0.57 0.92 3.30 4.51 0.00 0.10 0.15 105.19 113.59 3kr5 n GLY 188 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.32 -0.21 -0.11 1.61 1.13 -1.13 0.08 117.35 114.40 3kr5 s TYR 189 Ca 0.01 0.13 0.03 0.00 -1.41 0.00 0.00 57.07 55.83 3kr5 s TYR 189 Cb -0.00 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3kr5 s TYR 189 CO 0.00 -0.55 -0.22 0.08 -2.51 0.00 0.00 175.55 172.35 3kr5 s VAL 190 N -2.50 2.20 0.07 -3.49 1.01 0.21 -2.56 120.40 115.34 3kr5 s VAL 190 Ca -0.05 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.66 3kr5 s VAL 190 Cb -0.01 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 3kr5 s VAL 190 CO -0.03 0.55 1.21 -0.83 0.00 0.00 0.00 175.10 176.01 3kr5 s GLY 191 N 0.46 2.38 -0.33 4.51 0.00 0.72 -1.19 107.32 113.87 3kr5 s GLY 191 Ca -0.15 0.87 0.07 0.00 0.00 0.00 0.00 44.72 45.51 3kr5 s GLY 191 CO 0.06 2.06 1.57 0.00 0.00 0.00 0.00 173.10 176.79 3kr5 n GLY 193 N -1.13 0.61 0.00 0.00 0.00 0.77 -4.46 105.19 100.98 3kr5 n GLY 193 Ca 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.02 0.17 -4.42 1.61 3.41 -1.26 -2.27 113.62 110.89 3kr5 n SER 194 Ca 0.00 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.65 3kr5 n SER 194 Cb 0.00 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr5 s VAL 195 N -0.28 5.19 -2.00 -3.33 1.01 -1.26 -0.15 120.40 119.57 3kr5 s VAL 195 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3kr5 s VAL 195 Cb 0.00 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.47 3kr5 s VAL 195 CO 0.00 -0.43 0.50 0.00 0.00 0.00 0.00 175.10 175.17 3kr5 n ALA 196 N 5.16 1.80 -3.54 5.51 0.00 -1.26 -3.25 120.51 124.94 3kr5 n ALA 196 Ca -0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 3kr5 n ALA 196 Cb 0.45 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3kr5 n ALA 196 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kr5 n ASP 197 N -0.65 0.95 -4.72 0.00 9.92 -1.26 -4.45 116.55 116.34 3kr5 n ASP 197 Ca 0.02 -2.73 -0.43 0.00 -0.53 0.00 0.00 54.79 51.12 3kr5 n ASP 197 Cb 0.01 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 3kr5 n ASP 197 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kr5 n LEU 198 N 2.31 3.93 -4.80 0.64 4.77 -1.20 -4.96 117.00 117.69 3kr5 n LEU 198 Ca 0.26 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 57.00 3kr5 n LEU 198 Cb 0.44 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.96 3kr5 n LEU 198 CO 0.17 0.06 0.71 -0.94 -1.33 0.00 0.00 177.39 176.07 3kr5 s SER 199 N 0.86 6.14 0.08 -1.43 1.04 -1.26 -4.78 113.70 114.35 3kr5 s SER 199 Ca 0.72 1.87 -0.03 0.00 0.48 0.00 0.00 55.95 58.98 3kr5 s SER 199 Cb -0.54 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.15 3kr5 s SER 199 CO 0.39 -0.92 0.45 1.21 0.98 0.00 0.00 173.24 175.36 3kr5 n GLU 200 N -1.40 -0.04 0.08 4.02 0.00 -1.26 -0.49 120.64 121.55 3kr5 n GLU 200 Ca 0.09 0.45 -0.11 0.00 0.00 0.00 0.00 57.16 57.60 3kr5 n GLU 200 Cb 0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 31.44 31.23 3kr5 n GLU 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kr5 h ALA 201 N 0.53 0.37 0.28 4.31 0.00 -1.94 -1.95 119.26 120.84 3kr5 h ALA 201 Ca 0.13 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3kr5 h ALA 201 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 201 CO -0.30 0.97 -0.20 -0.44 0.00 0.00 0.00 179.25 179.29 3kr5 h ASP 202 N 0.09 -0.50 -1.01 0.00 3.32 -1.14 -1.07 116.42 116.12 3kr5 h ASP 202 Ca -0.07 0.04 0.24 0.00 0.02 0.00 0.00 57.03 57.26 3kr5 h ASP 202 Cb 1.68 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 41.29 3kr5 h ASP 202 CO 0.15 -0.31 0.64 -0.03 -1.72 0.00 0.00 179.24 177.98 3kr5 h MET 203 N -0.47 0.47 -0.77 3.56 4.05 -1.28 0.51 114.93 121.00 3kr5 h MET 203 Ca -0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3kr5 h MET 203 Cb 0.41 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 3kr5 h MET 203 CO 0.00 0.31 0.42 -0.22 0.23 0.00 0.00 176.91 177.66 3kr5 h LYS 204 N 0.48 1.06 -0.33 0.39 3.64 -0.59 0.11 116.57 121.34 3kr5 h LYS 204 Ca 0.58 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.72 3kr5 h LYS 204 Cb 1.31 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3kr5 h LYS 204 CO -0.31 0.78 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.28 3kr5 h ARG 205 N 1.07 0.68 -0.27 1.90 2.43 0.11 -1.92 114.38 118.39 3kr5 h ARG 205 Ca 0.27 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3kr5 h ARG 205 Cb 0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kr5 h ARG 205 CO -0.04 0.89 -0.02 0.28 -1.51 0.00 0.00 179.97 179.56 3kr5 h VAL 206 N 0.59 1.27 0.54 0.20 2.07 -0.04 -2.00 116.25 118.88 3kr5 h VAL 206 Ca 0.07 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3kr5 h VAL 206 Cb 0.78 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3kr5 h VAL 206 CO 0.06 0.31 -0.32 0.58 0.02 0.00 0.00 177.57 178.22 3kr5 h VAL 207 N 0.26 0.34 -0.89 2.57 2.07 -0.75 -2.35 116.25 117.49 3kr5 h VAL 207 Ca 0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 3kr5 h VAL 207 Cb 0.46 0.34 -0.15 0.00 -1.52 0.00 0.00 31.29 30.42 3kr5 h VAL 207 CO 0.02 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.76 3kr5 h LEU 208 N -0.82 -0.03 -1.39 2.57 3.38 -1.30 0.48 115.31 118.21 3kr5 h LEU 208 Ca -0.07 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kr5 h LEU 208 Cb 0.66 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3kr5 h LEU 208 CO 0.07 -0.18 0.01 0.28 0.09 0.00 0.00 178.44 178.70 3kr5 h SER 209 N 0.18 0.38 0.81 -0.43 0.02 -0.93 -1.65 113.55 111.93 3kr5 h SER 209 Ca 0.56 -0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 61.22 3kr5 h SER 209 Cb 1.16 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3kr5 h SER 209 CO -0.68 0.44 -1.11 0.25 -1.14 0.00 0.00 176.83 174.59 3kr5 h LEU 210 N 0.40 0.21 -0.79 5.07 5.85 0.24 -3.02 115.31 123.27 3kr5 h LEU 210 Ca 0.09 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3kr5 h LEU 210 Cb 0.26 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3kr5 h LEU 210 CO 0.01 1.16 0.34 0.58 -0.34 0.00 0.00 178.44 180.19 3kr5 h VAL 211 N 0.04 1.26 0.00 1.05 2.07 0.06 -1.71 116.25 119.01 3kr5 h VAL 211 Ca -0.07 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3kr5 h VAL 211 Cb 1.85 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3kr5 h VAL 211 CO 0.16 0.32 -0.29 0.71 0.02 0.00 0.00 177.57 178.50 3kr5 h THR 212 N 1.13 1.01 0.00 2.57 1.35 -1.27 0.43 112.91 118.13 3kr5 h THR 212 Ca 0.26 -1.05 -0.07 0.00 -0.55 0.00 0.00 66.41 65.01 3kr5 h THR 212 Cb 0.18 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 3kr5 h THR 212 CO -0.03 0.28 -0.34 0.24 -0.25 0.00 0.00 175.52 175.43 3kr5 h MET 213 N 0.00 0.00 0.00 4.72 2.07 -1.22 -2.96 114.93 117.54 3kr5 h MET 213 Ca -0.00 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.57 3kr5 h MET 213 Cb 0.57 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 3kr5 h MET 213 CO 0.04 0.34 -0.66 -0.07 1.07 0.00 0.00 176.91 177.63 3kr5 h LEU 214 N 0.00 0.00-10.04 1.22 3.38 0.57 -3.45 115.31 106.98 3kr5 h LEU 214 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3kr5 h LEU 214 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kr5 h LEU 214 CO 0.04 0.22 0.25 -1.00 0.09 0.00 0.00 178.44 178.05 3kr5 s HIS 215 N -3.14 3.34 -0.83 1.13 3.76 0.29 -4.18 115.29 115.65 3kr5 s HIS 215 Ca 0.02 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.38 3kr5 s HIS 215 Cb 0.08 -2.74 -0.00 0.00 1.11 0.00 0.00 32.58 31.03 3kr5 s HIS 215 CO 0.75 -0.04 0.66 -0.25 -0.85 0.00 0.00 174.74 175.01 3kr5 n ASP 216 N -0.53 -5.97 0.00 1.40 8.00 -1.26 -4.93 116.55 113.26 3kr5 n ASP 216 Ca 0.06 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.91 3kr5 n ASP 216 Cb 0.54 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 3kr5 n ASP 216 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kr5 n ASN 217 N -2.31 0.00 -4.56 -2.24 5.15 -1.26 -5.07 115.26 104.97 3kr5 n ASN 217 Ca -0.18 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.43 3kr5 n ASN 217 Cb 0.61 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.83 3kr5 n ASN 217 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kr5 s LYS 218 N 0.00 3.13 0.03 1.20 1.02 -1.26 -4.91 119.74 118.95 3kr5 s LYS 218 Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.46 3kr5 s LYS 218 Cb 0.00 -4.96 -0.04 0.00 -0.52 0.00 0.00 37.83 32.31 3kr5 s LYS 218 CO 0.00 -2.57 0.06 -0.51 -0.92 0.00 0.00 175.35 171.40 3kr5 s LEU 219 N 6.95 3.75 0.08 3.17 1.43 -1.26 -4.96 118.68 127.84 3kr5 s LEU 219 Ca 0.53 0.04 0.22 0.00 -1.03 0.00 0.00 54.13 53.89 3kr5 s LEU 219 Cb -0.05 -2.29 -0.12 0.00 0.03 0.00 0.00 46.19 43.77 3kr5 s LEU 219 CO 0.00 0.23 0.83 -1.54 0.23 0.00 0.00 176.35 176.10 3kr5 n SER 220 N 0.93 0.49 -3.70 2.29 3.41 -1.26 -3.41 113.62 112.38 3kr5 n SER 220 Ca -0.12 0.08 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 3kr5 n SER 220 Cb 0.52 1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 65.47 3kr5 n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kr5 s LYS 221 N -3.39 0.33 -0.19 4.33 2.20 -1.26 -0.53 119.74 121.24 3kr5 s LYS 221 Ca -0.02 0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 56.30 3kr5 s LYS 221 Cb 0.12 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3kr5 s LYS 221 CO 0.84 -0.18 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.46 3kr5 s LEU 222 N 1.58 3.21 -0.23 5.43 2.96 -0.05 -0.73 118.68 130.85 3kr5 s LEU 222 Ca -0.08 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3kr5 s LEU 222 Cb -0.09 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.82 3kr5 s LEU 222 CO -0.12 0.09 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.02 3kr5 s THR 223 N 0.82 2.58 -0.13 3.68 2.01 0.88 0.52 115.64 126.00 3kr5 s THR 223 Ca -0.00 -1.09 -0.04 0.00 0.31 0.00 0.00 61.69 60.87 3kr5 s THR 223 Cb -0.14 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 3kr5 s THR 223 CO 0.02 0.25 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.51 3kr5 s VAL 224 N 1.28 4.25 -0.30 3.82 1.01 0.23 0.86 120.40 131.56 3kr5 s VAL 224 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3kr5 s VAL 224 Cb -0.16 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.44 3kr5 s VAL 224 CO -0.07 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 3kr5 s VAL 225 N -0.19 2.64 -0.49 2.92 1.01 0.17 -0.55 120.40 125.91 3kr5 s VAL 225 Ca 0.05 -1.66 -0.28 0.00 0.00 0.00 0.00 61.98 60.09 3kr5 s VAL 225 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3kr5 s VAL 225 CO 0.02 -0.20 1.52 -0.36 0.00 0.00 0.00 175.10 176.08 3kr5 s PHE 226 N 1.15 2.18 -0.48 5.22 0.40 -0.24 -0.80 117.98 125.41 3kr5 s PHE 226 Ca -0.03 0.59 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3kr5 s PHE 226 Cb -0.20 -4.30 0.45 0.00 0.51 0.00 0.00 43.02 39.48 3kr5 s PHE 226 CO -0.04 -2.15 1.60 0.39 0.70 0.00 0.00 175.22 175.73 3kr5 n GLU 227 N 8.52 3.17 -4.09 0.44 1.02 -0.57 -4.71 120.64 124.41 3kr5 n GLU 227 Ca 0.16 -3.75 -0.07 0.00 -0.02 0.00 0.00 57.16 53.48 3kr5 n GLU 227 Cb 0.49 -2.28 -0.10 0.00 -0.02 0.00 0.00 31.44 29.52 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 -4.73 0.22 -0.36 -3.67 -4.36 -1.25 -4.34 121.20 102.71 3kr5 s ILE 228 Ca 0.58 -1.82 -0.16 0.00 -0.26 0.00 0.00 60.65 58.99 3kr5 s ILE 228 Cb 0.46 -1.54 -0.00 0.00 1.25 0.00 0.00 42.46 42.62 3kr5 s ILE 228 CO 0.01 -0.98 0.39 0.20 0.24 0.00 0.00 174.94 174.80 3kr5 s ASN 229 N -2.93 6.19 0.22 4.36 0.01 -1.26 -5.00 114.94 116.53 3kr5 s ASN 229 Ca 0.08 -0.34 0.08 0.00 -0.71 0.00 0.00 52.86 51.97 3kr5 s ASN 229 Cb 0.08 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 3kr5 s ASN 229 CO -0.09 -0.41 -0.16 0.68 -1.51 0.00 0.00 177.10 175.61 3kr5 s VAL 230 N 2.07 1.87 0.46 1.60 -7.23 -1.26 -4.77 120.40 113.13 3kr5 s VAL 230 Ca 0.12 -2.23 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 3kr5 s VAL 230 Cb -0.17 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3kr5 s VAL 230 CO 0.12 -0.55 0.51 1.51 -0.31 0.00 0.00 175.10 176.38 3kr5 s ASP 231 N -3.32 5.18 0.10 4.85 1.47 -1.26 -4.83 116.67 118.86 3kr5 s ASP 231 Ca 0.23 -0.74 -0.26 0.00 1.18 0.00 0.00 52.55 52.97 3kr5 s ASP 231 Cb -0.02 -0.32 -0.08 0.00 -0.34 0.00 0.00 42.92 42.16 3kr5 s ASP 231 CO 0.08 -0.86 1.43 0.11 0.68 0.00 0.00 175.17 176.61 3kr5 h LYS 232 N 0.73 -0.27 -0.74 2.11 1.57 -1.98 0.33 116.57 118.32 3kr5 h LYS 232 Ca -0.38 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3kr5 h LYS 232 Cb 1.28 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.52 3kr5 h LYS 232 CO 0.51 -0.18 -0.34 -0.91 -0.57 0.00 0.00 179.45 177.95 3kr5 h ASN 233 N -0.28 -1.23 -0.56 0.86 2.35 -1.96 0.20 115.58 114.96 3kr5 h ASN 233 Ca 0.06 0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3kr5 h ASN 233 Cb 0.45 0.63 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 3kr5 h ASN 233 CO -0.50 -0.30 0.25 0.25 -1.65 0.00 0.00 177.43 175.49 3kr5 h LEU 234 N -0.10 0.75 -0.25 1.61 5.85 -1.39 0.20 115.31 121.96 3kr5 h LEU 234 Ca 0.28 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3kr5 h LEU 234 Cb 0.57 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3kr5 h LEU 234 CO -0.79 0.69 0.09 0.15 -0.34 0.00 0.00 178.44 178.23 3kr5 h PHE 235 N 0.76 0.16 0.07 1.25 3.57 0.35 -0.50 116.94 122.60 3kr5 h PHE 235 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3kr5 h PHE 235 Cb 0.15 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3kr5 h PHE 235 CO 0.00 0.08 -0.28 -0.09 -2.23 0.00 0.00 178.31 175.79 3kr5 h ARG 236 N 0.21 -0.44 -0.62 1.11 2.43 -0.32 -2.32 114.38 114.43 3kr5 h ARG 236 Ca 0.11 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3kr5 h ARG 236 Cb 0.08 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.62 3kr5 h ARG 236 CO -0.11 -0.30 0.01 0.35 -1.51 0.00 0.00 179.97 178.41 3kr5 h PHE 237 N -0.46 -0.02 -0.28 2.20 3.57 -0.11 0.78 116.94 122.63 3kr5 h PHE 237 Ca 0.04 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3kr5 h PHE 237 Cb 0.51 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3kr5 h PHE 237 CO -0.27 -0.16 -0.12 0.35 -2.23 0.00 0.00 178.31 175.88 3kr5 h PHE 238 N 0.13 -0.28 -0.42 0.41 3.57 -0.85 0.31 116.94 119.80 3kr5 h PHE 238 Ca 0.33 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.89 3kr5 h PHE 238 Cb 0.53 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 3kr5 h PHE 238 CO -0.36 -0.18 0.20 -0.07 -2.23 0.00 0.00 178.31 175.67 3kr5 h LEU 239 N -0.08 0.28 -0.63 0.59 3.38 1.00 0.35 115.31 120.20 3kr5 h LEU 239 Ca 0.14 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3kr5 h LEU 239 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3kr5 h LEU 239 CO -0.33 0.20 0.17 -0.33 0.09 0.00 0.00 178.44 178.24 3kr5 h GLU 240 N 0.40 1.00 -0.03 1.13 5.08 -0.35 0.24 114.58 122.05 3kr5 h GLU 240 Ca 0.18 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3kr5 h GLU 240 Cb 0.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kr5 h GLU 240 CO -0.14 0.90 -0.10 1.15 -1.00 0.00 0.00 179.01 179.82 3kr5 h THR 241 N 0.92 1.48 -0.24 1.13 2.02 -0.25 -1.97 112.91 116.01 3kr5 h THR 241 Ca 0.20 -1.56 0.06 0.00 0.77 0.00 0.00 66.41 65.88 3kr5 h THR 241 Cb 0.34 2.44 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 3kr5 h THR 241 CO -0.00 0.42 -0.21 0.25 0.37 0.00 0.00 175.52 176.35 3kr5 h LEU 242 N -0.47 -0.67 -0.18 2.58 5.85 -0.13 0.27 115.31 122.57 3kr5 h LEU 242 Ca -0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3kr5 h LEU 242 Cb 0.74 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3kr5 h LEU 242 CO 0.02 -0.25 0.01 -0.26 -0.34 0.00 0.00 178.44 177.62 3kr5 h PHE 243 N -0.21 0.01 0.63 1.25 0.04 -0.56 -1.38 116.94 116.72 3kr5 h PHE 243 Ca 0.14 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3kr5 h PHE 243 Cb 0.42 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3kr5 h PHE 243 CO -0.37 -0.02 -0.45 -0.92 -0.60 0.00 0.00 178.31 175.96 3kr5 h TYR 244 N 0.07 -1.20 0.00 -0.55 3.20 -0.62 -2.14 116.97 115.73 3kr5 h TYR 244 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kr5 h TYR 244 Cb 0.10 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kr5 h TYR 244 CO -0.16 -0.65 -0.03 0.93 -1.64 0.00 0.00 178.16 176.61 3kr5 h GLU 245 N -1.04 0.00 0.20 1.82 4.39 -0.34 -2.67 114.58 116.95 3kr5 h GLU 245 Ca -0.08 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.35 3kr5 h GLU 245 Cb 0.85 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.54 3kr5 h GLU 245 CO 0.04 0.03 -1.20 -0.92 -1.16 0.00 0.00 179.01 175.81 3kr5 h TYR 246 N 0.00 0.82 -3.97 4.33 3.20 -0.85 -3.45 116.97 117.05 3kr5 h TYR 246 Ca -0.00 -0.59 -0.55 0.00 3.14 0.00 0.00 58.73 60.73 3kr5 h TYR 246 Cb 0.15 -0.04 0.17 0.00 1.54 0.00 0.00 36.73 38.55 3kr5 h TYR 246 CO 0.00 1.46 0.30 -0.12 -1.64 0.00 0.00 178.16 178.15 3kr5 n MET 247 N -3.89 0.67 -3.58 1.82 1.56 -0.84 -5.00 117.12 107.86 3kr5 n MET 247 Ca -0.15 0.29 -0.18 0.00 -0.27 0.00 0.00 57.70 57.38 3kr5 n MET 247 Cb 0.98 -2.37 -0.14 0.00 2.15 0.00 0.00 33.22 33.84 3kr5 n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kr5 s THR 248 N -1.72 -0.29 -0.52 1.12 2.01 -1.26 -5.00 115.64 109.98 3kr5 s THR 248 Ca 0.77 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 3kr5 s THR 248 Cb -0.35 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3kr5 s THR 248 CO 0.47 -0.07 1.51 -0.62 -0.69 0.00 0.00 174.62 175.22 3kr5 s ASP 249 N 2.31 6.03 -0.26 3.53 -1.08 -1.26 -4.85 116.67 121.09 3kr5 s ASP 249 Ca 0.05 0.47 0.12 0.00 -0.52 0.00 0.00 52.55 52.67 3kr5 s ASP 249 Cb -0.14 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.38 3kr5 s ASP 249 CO -0.09 -1.75 1.58 -0.62 0.52 0.00 0.00 175.17 174.81 3kr5 n GLU 250 N 8.62 2.93 0.20 4.34 1.02 -1.26 -4.65 120.64 131.83 3kr5 n GLU 250 Ca 0.15 -3.02 0.04 0.00 -0.02 0.00 0.00 57.16 54.31 3kr5 n GLU 250 Cb 0.49 -1.98 0.41 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.90 0.00 -0.59 3.49 3.08 -1.96 -1.65 114.38 118.65 3kr5 h ARG 251 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kr5 h ARG 251 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 3kr5 h ARG 251 CO 0.46 0.32 0.00 1.19 -1.07 0.00 0.00 179.97 180.87 3kr5 n PHE 252 N -4.09 1.05 -2.90 3.04 3.01 -1.26 -4.89 117.46 111.42 3kr5 n PHE 252 Ca -0.02 -0.57 -0.40 0.00 1.01 0.00 0.00 57.45 57.47 3kr5 n PHE 252 Cb 0.37 -0.12 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.43 4.58 0.00 -1.08 -0.14 -0.62 -4.99 119.74 116.06 3kr5 s LYS 253 Ca 0.44 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 3kr5 s LYS 253 Cb 0.26 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 3kr5 s LYS 253 CO 0.25 0.31 0.00 0.45 -0.76 0.00 0.00 175.35 175.59 3kr5 n SER 254 N 2.60 0.00 -0.58 2.83 2.88 -1.26 -4.86 113.62 115.23 3kr5 n SER 254 Ca -0.01 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.66 3kr5 n SER 254 Cb 0.50 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.34 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 -2.29 0.00 -2.08 2.46 -2.24 -1.26 -4.45 114.28 104.42 3kr5 n THR 255 Ca 0.00 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 3kr5 n THR 255 Cb 0.00 0.77 0.09 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.39 2.51 -4.76 3.42 2.03 -1.26 -5.04 116.55 113.83 3kr5 n ASP 256 Ca 0.17 -3.21 -0.37 0.00 0.52 0.00 0.00 54.79 51.90 3kr5 n ASP 256 Cb 0.42 -0.42 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 3kr5 n ASP 256 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kr5 s LYS 257 N -2.83 3.26 -0.14 -0.67 1.02 -1.26 -4.98 119.74 114.14 3kr5 s LYS 257 Ca 0.39 1.88 -0.18 0.00 0.02 0.00 0.00 55.97 58.08 3kr5 s LYS 257 Cb 0.38 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 3kr5 s LYS 257 CO -0.05 -0.99 0.47 1.21 -0.92 0.00 0.00 175.35 175.06 3kr5 s ASN 258 N -1.41 6.64 -0.91 2.83 3.84 -1.26 -5.10 114.94 119.57 3kr5 s ASN 258 Ca 0.72 0.76 0.00 0.00 0.21 0.00 0.00 52.86 54.55 3kr5 s ASN 258 Cb -0.31 -2.28 0.33 0.00 -0.55 0.00 0.00 41.25 38.44 3kr5 s ASN 258 CO 0.36 -0.02 1.63 0.55 -2.79 0.00 0.00 177.10 176.83 3kr5 n VAL 259 N 3.82 5.21 -0.32 -5.21 3.14 -1.26 -4.92 118.33 118.79 3kr5 n VAL 259 Ca -0.07 -5.77 0.00 0.00 -2.96 0.00 0.00 64.34 55.54 3kr5 n VAL 259 Cb 0.51 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 3kr5 n VAL 259 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3kr5 n MET 261 N -0.14 0.00 -4.39 1.45 1.56 -1.26 -5.14 117.12 109.20 3kr5 n MET 261 Ca 0.44 0.11 -0.19 0.00 -0.27 0.00 0.00 57.70 57.78 3kr5 n MET 261 Cb 0.30 -0.21 -0.10 0.00 2.15 0.00 0.00 33.22 35.35 3kr5 n MET 261 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3kr5 s GLU 262 N -0.18 1.51 0.09 2.12 2.02 -1.26 -5.16 118.70 117.83 3kr5 s GLU 262 Ca 0.00 -1.81 0.08 0.00 0.02 0.00 0.00 54.97 53.26 3kr5 s GLU 262 Cb 0.00 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.49 3kr5 s GLU 262 CO 0.00 -0.16 -0.20 0.71 0.02 0.00 0.00 175.26 175.63 3kr5 s TYR 263 N -3.39 1.72 0.48 1.61 2.02 -1.26 -4.77 117.35 113.75 3kr5 s TYR 263 Ca 0.34 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 56.39 3kr5 s TYR 263 Cb 0.07 -0.96 -0.08 0.00 -0.40 0.00 0.00 41.96 40.60 3kr5 s TYR 263 CO 0.13 0.17 1.23 0.44 -1.57 0.00 0.00 175.55 175.95 3kr5 n ILE 264 N 1.25 3.04 -0.62 2.71 -5.35 -1.22 -4.76 119.36 114.41 3kr5 n ILE 264 Ca -0.19 -0.50 0.08 0.00 -0.27 0.00 0.00 62.75 61.86 3kr5 n ILE 264 Cb 0.54 -1.50 0.24 0.00 -1.74 0.00 0.00 39.64 37.17 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 -0.37 3.10 -3.66 6.28 5.02 0.32 -4.61 118.16 124.24 3kr5 n LYS 265 Ca 0.09 -2.56 -0.07 0.00 -2.02 0.00 0.00 58.31 53.74 3kr5 n LYS 265 Cb 0.42 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.97 -0.97 -0.18 2.13 3.76 -1.02 -2.86 115.29 114.18 3kr5 s HIS 266 Ca 0.37 1.91 0.01 0.00 -0.15 0.00 0.00 55.06 57.20 3kr5 s HIS 266 Cb 0.26 0.55 0.02 0.00 1.11 0.00 0.00 32.58 34.51 3kr5 s HIS 266 CO 0.14 -0.50 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.18 3kr5 s LEU 267 N 1.81 2.20 -0.14 0.89 2.96 0.77 -0.87 118.68 126.30 3kr5 s LEU 267 Ca -0.09 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.17 3kr5 s LEU 267 Cb -0.07 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3kr5 s LEU 267 CO -0.18 0.01 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.01 3kr5 s GLY 268 N 1.25 1.76 -0.11 7.98 0.00 0.18 -0.05 107.32 118.33 3kr5 s GLY 268 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3kr5 s GLY 268 CO -0.11 -0.18 -0.13 0.14 0.00 0.00 0.00 173.10 172.82 3kr5 s VAL 269 N 0.07 1.34 -0.29 1.40 1.01 0.38 0.78 120.40 125.09 3kr5 s VAL 269 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3kr5 s VAL 269 Cb -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3kr5 s VAL 269 CO 0.02 0.41 0.06 -0.31 0.00 0.00 0.00 175.10 175.29 3kr5 s TYR 270 N 1.13 3.14 0.03 5.22 1.51 0.28 0.97 117.35 129.63 3kr5 s TYR 270 Ca -0.04 -1.07 -0.07 0.00 -1.01 0.00 0.00 57.07 54.88 3kr5 s TYR 270 Cb -0.14 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3kr5 s TYR 270 CO -0.03 -0.60 0.12 -1.50 -1.11 0.00 0.00 175.55 172.43 3kr5 s ILE 271 N 1.47 0.11 0.33 2.71 2.07 -0.50 -1.08 121.20 126.31 3kr5 s ILE 271 Ca 0.02 -0.92 -0.28 0.00 -1.41 0.00 0.00 60.65 58.06 3kr5 s ILE 271 Cb -0.17 -0.72 -0.10 0.00 0.13 0.00 0.00 42.46 41.60 3kr5 s ILE 271 CO 0.01 -0.51 1.21 0.20 -1.91 0.00 0.00 174.94 173.95 3kr5 s ASN 272 N -1.85 6.88 -1.29 4.50 0.01 -1.26 -2.97 114.94 118.96 3kr5 s ASN 272 Ca -0.09 2.49 -0.00 0.00 -0.71 0.00 0.00 52.86 54.55 3kr5 s ASN 272 Cb -0.04 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3kr5 s ASN 272 CO -0.02 -0.44 0.77 0.59 -1.51 0.00 0.00 177.10 176.49 3kr5 n ASN 273 N 0.77 -1.41 -0.25 -1.22 3.02 -1.26 -4.85 115.26 110.07 3kr5 n ASN 273 Ca 0.00 -0.78 0.06 0.00 -0.03 0.00 0.00 54.58 53.84 3kr5 n ASN 273 Cb 0.44 -4.29 0.18 0.00 -0.61 0.00 0.00 39.78 35.50 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr5 h ALA 274 N 0.88 0.90 -0.91 5.41 0.00 -1.84 -1.72 119.26 121.97 3kr5 h ALA 274 Ca -0.61 0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.69 3kr5 h ALA 274 Cb 1.35 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 3kr5 h ALA 274 CO 0.55 -0.38 0.60 -0.44 0.00 0.00 0.00 179.25 179.58 3kr5 h ASP 275 N 0.20 0.50 0.56 0.00 3.45 -1.90 0.34 116.42 119.57 3kr5 h ASP 275 Ca 0.42 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.87 3kr5 h ASP 275 Cb 0.73 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 3kr5 h ASP 275 CO -0.56 0.20 -0.28 0.71 -1.57 0.00 0.00 179.24 177.74 3kr5 h THR 276 N 0.50 0.88 0.00 0.35 1.35 -1.67 -3.21 112.91 111.11 3kr5 h THR 276 Ca 0.48 -1.11 -0.07 0.00 -0.55 0.00 0.00 66.41 65.16 3kr5 h THR 276 Cb 1.06 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 3kr5 h THR 276 CO -0.21 0.28 -1.30 -1.22 -0.25 0.00 0.00 175.52 172.82 3kr5 n TYR 277 N -3.73 0.84 -0.18 4.73 4.01 0.11 -4.34 117.16 118.60 3kr5 n TYR 277 Ca -0.01 0.26 0.09 0.00 -0.16 0.00 0.00 57.90 58.07 3kr5 n TYR 277 Cb 0.39 -0.95 0.39 0.00 -0.31 0.00 0.00 39.34 38.85 3kr5 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr5 h LYS 278 N 0.00 0.65 0.00 -0.72 1.57 -1.25 -0.81 116.57 116.01 3kr5 h LYS 278 Ca -0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3kr5 h LYS 278 Cb 1.23 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3kr5 h LYS 278 CO 0.02 0.43 -0.07 0.93 -0.57 0.00 0.00 179.45 180.19 3kr5 h GLU 279 N 0.67 0.00 0.00 3.15 3.07 -1.76 -2.61 114.58 117.11 3kr5 h GLU 279 Ca 0.33 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.10 3kr5 h GLU 279 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3kr5 h GLU 279 CO -0.12 0.07 -0.46 0.93 -1.40 0.00 0.00 179.01 178.03 3kr5 h GLU 280 N 0.00 0.00 0.26 2.33 4.39 -1.41 -3.33 114.58 116.83 3kr5 h GLU 280 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kr5 h GLU 280 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3kr5 h GLU 280 CO 0.01 0.46 -0.48 0.28 -1.16 0.00 0.00 179.01 178.11 3kr5 h VAL 281 N 0.00 0.00 0.00 3.13 2.07 -1.55 0.40 116.25 120.30 3kr5 h VAL 281 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kr5 h VAL 281 Cb 0.95 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kr5 h VAL 281 CO 0.06 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.97 3kr5 h GLU 282 N -0.80 0.00 -0.29 1.57 4.39 -1.76 -1.20 114.58 116.49 3kr5 h GLU 282 Ca -0.03 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3kr5 h GLU 282 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3kr5 h GLU 282 CO -0.18 0.35 0.01 -0.22 -1.16 0.00 0.00 179.01 177.82 3kr5 h LYS 283 N 0.00 0.51 -0.93 2.33 3.64 -1.52 -1.32 116.57 119.28 3kr5 h LYS 283 Ca -0.00 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3kr5 h LYS 283 Cb 0.81 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 3kr5 h LYS 283 CO 0.05 0.65 0.60 0.00 -2.27 0.00 0.00 179.45 178.48 3kr5 h ALA 284 N 0.84 1.50 -0.41 5.00 0.00 0.30 0.99 119.26 127.48 3kr5 h ALA 284 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3kr5 h ALA 284 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 284 CO 0.01 0.36 -0.24 -0.09 0.00 0.00 0.00 179.25 179.29 3kr5 h ARG 285 N 1.05 0.89 -0.06 0.00 2.43 -0.87 0.46 114.38 118.28 3kr5 h ARG 285 Ca 0.40 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kr5 h ARG 285 Cb 0.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3kr5 h ARG 285 CO -0.16 1.06 0.01 0.28 -1.51 0.00 0.00 179.97 179.65 3kr5 h VAL 286 N 0.71 1.19 -0.52 0.20 2.07 -0.76 -2.13 116.25 117.00 3kr5 h VAL 286 Ca 0.09 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3kr5 h VAL 286 Cb 0.82 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3kr5 h VAL 286 CO 0.07 0.16 0.28 1.88 0.02 0.00 0.00 177.57 179.98 3kr5 h TYR 287 N -0.13 0.52 -0.14 1.57 -1.99 -0.56 0.49 116.97 116.72 3kr5 h TYR 287 Ca 0.02 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.81 3kr5 h TYR 287 Cb 0.25 -0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.75 3kr5 h TYR 287 CO 0.01 0.27 -0.47 -0.92 -0.00 0.00 0.00 178.16 177.05 3kr5 h TYR 288 N 0.55 -1.36 -0.65 4.88 3.20 0.04 -0.70 116.97 122.92 3kr5 h TYR 288 Ca 0.22 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 3kr5 h TYR 288 Cb 0.10 0.61 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3kr5 h TYR 288 CO -0.09 -0.50 0.16 0.35 -1.64 0.00 0.00 178.16 176.44 3kr5 h PHE 289 N -0.52 1.10 -0.34 -3.82 3.57 -0.64 0.64 116.94 116.93 3kr5 h PHE 289 Ca 0.06 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.50 3kr5 h PHE 289 Cb 0.65 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 3kr5 h PHE 289 CO -0.53 0.91 -0.08 0.78 -2.23 0.00 0.00 178.31 177.16 3kr5 h GLY 290 N 0.97 0.25 0.93 2.40 0.00 -0.64 1.31 103.07 108.30 3kr5 h GLY 290 Ca 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3kr5 h GLY 290 CO 0.00 -0.13 0.13 -0.84 0.00 0.00 0.00 176.54 175.71 3kr5 h THR 291 N 0.00 1.20 -0.47 4.70 2.02 0.04 -0.91 112.91 119.49 3kr5 h THR 291 Ca 0.16 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3kr5 h THR 291 Cb 0.25 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3kr5 h THR 291 CO -0.35 0.22 -0.11 0.22 0.37 0.00 0.00 175.52 175.88 3kr5 h TYR 292 N 0.44 0.94 -0.39 3.16 3.20 0.10 -0.31 116.97 124.11 3kr5 h TYR 292 Ca 0.12 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 3kr5 h TYR 292 Cb 0.21 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3kr5 h TYR 292 CO 0.00 0.91 0.21 -0.92 -1.64 0.00 0.00 178.16 176.72 3kr5 h TYR 293 N 0.77 0.54 -0.14 -3.82 3.20 0.20 0.23 116.97 117.94 3kr5 h TYR 293 Ca 0.13 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3kr5 h TYR 293 Cb 0.61 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3kr5 h TYR 293 CO 0.03 0.42 -0.01 0.00 -1.64 0.00 0.00 178.16 176.97 3kr5 h ALA 294 N 1.06 0.11 -0.74 1.82 0.00 -0.87 -2.02 119.26 118.63 3kr5 h ALA 294 Ca 0.14 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.25 3kr5 h ALA 294 Cb 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3kr5 h ALA 294 CO -0.02 -0.46 0.17 1.03 0.00 0.00 0.00 179.25 179.97 3kr5 h SER 295 N 0.03 -0.00 -0.75 0.00 0.87 -0.79 0.12 113.55 113.04 3kr5 h SER 295 Ca 0.07 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3kr5 h SER 295 Cb 0.09 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3kr5 h SER 295 CO -0.13 -0.04 0.48 1.56 -0.53 0.00 0.00 176.83 178.17 3kr5 h GLN 296 N 0.26 0.99 -0.21 2.24 4.20 -0.05 -0.07 115.11 122.47 3kr5 h GLN 296 Ca 0.41 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 59.00 3kr5 h GLN 296 Cb 0.71 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3kr5 h GLN 296 CO -0.52 0.67 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.15 3kr5 h LEU 297 N 1.01 0.44 0.17 1.46 3.38 -0.41 -1.62 115.31 119.74 3kr5 h LEU 297 Ca 0.27 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kr5 h LEU 297 Cb -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kr5 h LEU 297 CO -0.06 0.75 -0.09 0.40 0.09 0.00 0.00 178.44 179.53 3kr5 h ILE 298 N 0.13 0.82 -0.25 1.22 2.04 -0.69 -2.82 117.51 117.97 3kr5 h ILE 298 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3kr5 h ILE 298 Cb 0.58 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3kr5 h ILE 298 CO 0.03 0.00 0.02 0.00 0.00 0.00 0.00 178.15 178.20 3kr5 h ALA 299 N 0.60 1.58 -2.44 1.87 0.00 -0.96 -3.41 119.26 116.50 3kr5 h ALA 299 Ca -0.02 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 3kr5 h ALA 299 Cb 0.18 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.91 3kr5 h ALA 299 CO 0.03 0.31 0.94 0.00 0.00 0.00 0.00 179.25 180.53 3kr5 n ALA 300 N -2.49 2.05 -1.12 0.00 0.00 -0.61 -4.91 120.51 113.43 3kr5 n ALA 300 Ca 0.01 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 3kr5 n ALA 300 Cb 0.19 -2.46 0.13 0.00 0.00 0.00 0.00 19.45 17.31 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 1.38 1.38 0.30 0.00 0.02 -1.26 -4.52 135.00 132.30 3kr5 s PRO 301 Ca 0.78 1.00 0.25 0.00 0.02 0.00 0.00 61.00 63.06 3kr5 s PRO 301 Cb -0.58 -1.81 1.01 0.00 0.02 0.00 0.00 34.50 33.14 3kr5 s PRO 301 CO 0.36 -2.21 1.75 0.77 -0.33 0.00 0.00 177.00 177.35 3kr5 h SER 302 N -1.53 0.00 0.77 2.53 0.02 -1.80 0.52 113.55 114.06 3kr5 h SER 302 Ca -0.48 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.30 3kr5 h SER 302 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3kr5 h SER 302 CO 0.52 0.00 -0.81 -0.55 -1.14 0.00 0.00 176.83 174.85 3kr5 h ASN 303 N 0.00 0.03 0.00 3.07 -1.07 -1.92 -3.32 115.58 112.36 3kr5 h ASN 303 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 56.30 56.26 3kr5 h ASN 303 Cb 0.43 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.66 3kr5 h ASN 303 CO 0.00 0.82 -0.57 1.88 0.07 0.00 0.00 177.43 179.64 3kr5 h TYR 304 N 0.01 0.00 -2.99 4.14 0.05 -1.53 -3.41 116.97 113.24 3kr5 h TYR 304 Ca -0.01 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.05 3kr5 h TYR 304 Cb 1.42 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.95 3kr5 h TYR 304 CO 0.00 0.86 0.11 0.00 -1.05 0.00 0.00 178.16 178.09 3kr5 s ASN 306 N 3.48 3.40 0.32 0.00 2.20 -1.25 -4.26 114.94 118.84 3kr5 s ASN 306 Ca 0.12 -1.52 0.06 0.00 -0.94 0.00 0.00 52.86 50.59 3kr5 s ASN 306 Cb -0.22 0.13 0.73 0.00 -2.00 0.00 0.00 41.25 39.89 3kr5 s ASN 306 CO 0.03 -0.70 1.83 -0.65 -2.94 0.00 0.00 177.10 174.67 3kr5 h PRO 307 N 1.72 0.77 -0.03 3.55 0.11 -1.87 0.36 132.00 136.61 3kr5 h PRO 307 Ca -0.42 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3kr5 h PRO 307 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kr5 h PRO 307 CO 0.72 0.51 -0.10 0.28 -0.21 0.00 0.00 178.00 179.20 3kr5 h VAL 308 N 0.79 1.46 -0.22 3.15 2.07 -1.93 -2.10 116.25 119.46 3kr5 h VAL 308 Ca 0.50 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 3kr5 h VAL 308 Cb 0.72 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3kr5 h VAL 308 CO -0.27 0.41 -0.43 0.77 0.02 0.00 0.00 177.57 178.07 3kr5 h SER 309 N -0.43 0.57 0.27 0.57 4.64 -1.79 -0.04 113.55 117.33 3kr5 h SER 309 Ca -0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3kr5 h SER 309 Cb 0.71 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3kr5 h SER 309 CO 0.02 0.92 -0.13 0.25 -0.87 0.00 0.00 176.83 177.02 3kr5 h LEU 310 N 0.43 -0.30 -1.06 5.97 6.46 -0.33 -0.52 115.31 125.96 3kr5 h LEU 310 Ca 0.03 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3kr5 h LEU 310 Cb 0.93 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 3kr5 h LEU 310 CO 0.08 -0.14 0.53 0.77 -0.62 0.00 0.00 178.44 179.05 3kr5 h SER 311 N -0.44 1.04 -0.62 1.25 4.64 -1.31 -0.98 113.55 117.13 3kr5 h SER 311 Ca -0.04 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3kr5 h SER 311 Cb 0.33 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3kr5 h SER 311 CO 0.06 0.79 0.35 0.78 -0.87 0.00 0.00 176.83 177.94 3kr5 h ASN 312 N 1.19 0.52 -0.86 4.97 2.35 -0.83 -0.35 115.58 122.58 3kr5 h ASN 312 Ca 0.31 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3kr5 h ASN 312 Cb -0.06 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3kr5 h ASN 312 CO -0.06 0.35 0.43 0.00 -1.65 0.00 0.00 177.43 176.50 3kr5 h ALA 313 N 1.31 1.11 -0.51 -0.83 0.00 -0.35 -0.45 119.26 119.53 3kr5 h ALA 313 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kr5 h ALA 313 Cb 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kr5 h ALA 313 CO -0.16 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.08 3kr5 h ALA 314 N 1.23 0.65 -0.20 0.00 0.00 -0.63 0.86 119.26 121.18 3kr5 h ALA 314 Ca 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 314 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kr5 h ALA 314 CO -0.04 0.12 0.03 0.28 0.00 0.00 0.00 179.25 179.64 3kr5 h VAL 315 N 0.69 0.90 -0.64 0.00 2.07 -0.54 0.46 116.25 119.19 3kr5 h VAL 315 Ca 0.19 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.74 3kr5 h VAL 315 Cb -0.05 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3kr5 h VAL 315 CO -0.04 0.02 0.33 -0.08 0.02 0.00 0.00 177.57 177.82 3kr5 h GLU 316 N 0.10 0.59 -0.49 1.57 4.81 -0.76 0.25 114.58 120.65 3kr5 h GLU 316 Ca 0.09 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3kr5 h GLU 316 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3kr5 h GLU 316 CO -0.13 0.39 0.03 1.25 -0.73 0.00 0.00 179.01 179.82 3kr5 h LEU 317 N 0.60 0.82 -0.80 1.64 5.85 -0.13 -0.88 115.31 122.42 3kr5 h LEU 317 Ca 0.29 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kr5 h LEU 317 Cb 0.23 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kr5 h LEU 317 CO -0.21 0.91 0.52 0.00 -0.34 0.00 0.00 178.44 179.32 3kr5 h ALA 318 N 0.94 1.04 -0.50 1.25 0.00 -0.48 -1.35 119.26 120.16 3kr5 h ALA 318 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3kr5 h ALA 318 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kr5 h ALA 318 CO 0.02 0.36 -0.11 1.96 0.00 0.00 0.00 179.25 181.48 3kr5 h GLN 319 N 1.03 0.95 0.00 0.00 4.20 -0.50 0.13 115.11 120.92 3kr5 h GLN 319 Ca 0.31 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3kr5 h GLN 319 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kr5 h GLN 319 CO -0.10 1.03 -0.22 0.87 -0.67 0.00 0.00 178.83 179.74 3kr5 h LYS 320 N 0.81 0.00 -0.12 1.46 1.57 -0.80 -3.10 116.57 116.40 3kr5 h LYS 320 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kr5 h LYS 320 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kr5 h LYS 320 CO 0.05 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 3kr5 n LEU 321 N -3.81 2.76 -3.03 2.94 4.77 -0.54 -4.97 117.00 115.12 3kr5 n LEU 321 Ca -0.02 -1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 54.58 3kr5 n LEU 321 Cb 0.32 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3kr5 n LEU 321 CO 0.34 0.52 0.04 0.59 -1.33 0.00 0.00 177.39 177.55 3kr5 n ASN 322 N 1.11 -6.07 -4.85 -1.43 3.02 0.25 -4.91 115.26 102.38 3kr5 n ASN 322 Ca 0.13 -0.32 -0.36 0.00 -0.03 0.00 0.00 54.58 54.00 3kr5 n ASN 322 Cb 0.49 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.75 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 -6.60 4.37 0.37 3.41 1.43 0.03 -5.02 118.68 116.66 3kr5 s LEU 323 Ca 0.34 0.99 -0.27 0.00 -1.03 0.00 0.00 54.13 54.16 3kr5 s LEU 323 Cb -0.15 -3.08 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 3kr5 s LEU 323 CO 0.42 0.16 1.27 -1.61 0.23 0.00 0.00 176.35 176.82 3kr5 s GLU 324 N -1.79 4.18 0.03 1.70 2.02 -0.60 -4.57 118.70 119.68 3kr5 s GLU 324 Ca 0.34 2.11 -0.04 0.00 0.02 0.00 0.00 54.97 57.40 3kr5 s GLU 324 Cb -0.15 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 3kr5 s GLU 324 CO 0.18 -0.30 0.05 1.52 0.02 0.00 0.00 175.26 176.73 3kr5 s TYR 325 N -1.23 0.26 -0.14 1.61 -0.85 -1.26 0.17 117.35 115.91 3kr5 s TYR 325 Ca 0.53 -0.59 -0.08 0.00 -0.52 0.00 0.00 57.07 56.42 3kr5 s TYR 325 Cb -0.37 -0.19 0.05 0.00 0.38 0.00 0.00 41.96 41.83 3kr5 s TYR 325 CO 0.48 -0.33 0.33 0.21 -1.52 0.00 0.00 175.55 174.73 3kr5 s LYS 326 N -2.53 0.31 -0.24 -3.49 2.20 0.39 -4.99 119.74 111.39 3kr5 s LYS 326 Ca -0.06 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.18 3kr5 s LYS 326 Cb -0.02 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.26 3kr5 s LYS 326 CO -0.04 -0.15 -0.05 0.42 -0.36 0.00 0.00 175.35 175.16 3kr5 s ILE 327 N 1.25 3.09 -0.17 5.43 -1.09 -1.26 -0.89 121.20 127.55 3kr5 s ILE 327 Ca -0.09 -0.79 -0.24 0.00 -2.23 0.00 0.00 60.65 57.30 3kr5 s ILE 327 Cb -0.09 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 3kr5 s ILE 327 CO -0.10 0.30 0.77 -0.76 -1.23 0.00 0.00 174.94 173.92 3kr5 s LEU 328 N 1.40 4.18 0.62 2.97 1.02 -0.04 -4.88 118.68 123.94 3kr5 s LEU 328 Ca 0.03 1.09 0.06 0.00 0.02 0.00 0.00 54.13 55.33 3kr5 s LEU 328 Cb -0.15 -3.14 0.10 0.00 0.02 0.00 0.00 46.19 43.01 3kr5 s LEU 328 CO -0.04 -0.35 0.86 -0.83 0.02 0.00 0.00 176.35 176.01 3kr5 s GLY 329 N 1.14 1.75 0.22 -3.19 0.00 -1.26 -0.85 107.32 105.14 3kr5 s GLY 329 Ca 0.36 -1.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 3kr5 s GLY 329 CO 0.12 -1.47 1.88 -0.39 0.00 0.00 0.00 173.10 173.24 3kr5 h VAL 330 N -0.07 1.23 -0.53 1.40 -1.51 -1.95 -0.81 116.25 113.99 3kr5 h VAL 330 Ca -0.33 -0.46 0.08 0.00 -1.23 0.00 0.00 66.70 64.77 3kr5 h VAL 330 Cb 1.28 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.40 3kr5 h VAL 330 CO 0.41 0.23 0.15 0.50 -1.23 0.00 0.00 177.57 177.63 3kr5 h LYS 331 N 1.14 0.30 -0.34 5.19 3.64 -1.96 0.12 116.57 124.66 3kr5 h LYS 331 Ca 0.30 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 3kr5 h LYS 331 Cb -0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3kr5 h LYS 331 CO -0.06 0.20 -0.27 1.49 -2.27 0.00 0.00 179.45 178.53 3kr5 h GLU 332 N 0.31 0.71 -0.66 1.90 4.81 -1.78 -1.61 114.58 118.26 3kr5 h GLU 332 Ca 0.27 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3kr5 h GLU 332 Cb 0.34 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3kr5 h GLU 332 CO -0.31 0.90 0.34 -0.07 -0.73 0.00 0.00 179.01 179.15 3kr5 h LEU 333 N 0.61 0.85 -0.18 1.64 3.38 -0.15 0.33 115.31 121.80 3kr5 h LEU 333 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kr5 h LEU 333 Cb 0.78 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kr5 h LEU 333 CO 0.06 0.73 0.11 -0.33 0.09 0.00 0.00 178.44 179.10 3kr5 h GLU 334 N 0.92 0.25 -0.86 1.13 5.08 -0.65 -1.28 114.58 119.16 3kr5 h GLU 334 Ca 0.23 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3kr5 h GLU 334 Cb 0.09 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3kr5 h GLU 334 CO -0.03 0.22 0.56 1.49 -1.00 0.00 0.00 179.01 180.25 3kr5 h GLU 335 N 0.21 0.89 0.00 2.33 4.57 -1.01 0.86 114.58 122.43 3kr5 h GLU 335 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3kr5 h GLU 335 Cb 0.04 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3kr5 h GLU 335 CO -0.01 0.59 0.00 1.28 -1.18 0.00 0.00 179.01 179.69 3kr5 n LEU 336 N -4.50 0.00 -2.47 1.64 4.77 0.08 -4.92 117.00 111.60 3kr5 n LEU 336 Ca 0.14 0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 3kr5 n LEU 336 Cb 0.25 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3kr5 n LEU 336 CO 0.32 -0.00 -0.05 0.29 -1.33 0.00 0.00 177.39 176.62 3kr5 n LYS 337 N -1.23 -3.57 -1.56 3.23 5.02 0.30 -4.67 118.16 115.67 3kr5 n LYS 337 Ca 0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 3kr5 n LYS 337 Cb 0.21 -5.36 -0.01 0.00 -0.02 0.00 0.00 35.03 29.85 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 -3.36 3.32 0.20 1.97 2.81 -0.89 -1.71 117.12 119.46 3kr5 n MET 338 Ca -0.12 -2.47 0.05 0.00 -1.81 0.00 0.00 57.70 53.35 3kr5 n MET 338 Cb 0.62 -3.03 0.40 0.00 -0.71 0.00 0.00 33.22 30.49 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 8.42 0.00 0.63 3.03 0.00 -1.75 -1.35 103.07 112.05 3kr5 h GLY 339 Ca 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 48.01 3kr5 h GLY 339 CO 1.82 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 178.28 3kr5 h ALA 340 N 1.65 0.11 -0.36 3.60 0.00 -1.84 -1.47 119.26 120.96 3kr5 h ALA 340 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kr5 h ALA 340 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3kr5 h ALA 340 CO 0.05 -0.06 0.16 -0.92 0.00 0.00 0.00 179.25 178.48 3kr5 h TYR 341 N -0.24 0.52 0.00 0.00 3.20 -1.62 -2.88 116.97 115.96 3kr5 h TYR 341 Ca 0.01 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3kr5 h TYR 341 Cb 0.60 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3kr5 h TYR 341 CO 0.09 0.46 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.58 3kr5 h LEU 342 N 0.44 0.00 -0.41 2.82 3.38 -1.25 -2.97 115.31 117.31 3kr5 h LEU 342 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3kr5 h LEU 342 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kr5 h LEU 342 CO -0.01 0.43 -0.26 0.28 0.09 0.00 0.00 178.44 178.96 3kr5 h SER 343 N 0.00 0.95 -0.81 -0.43 0.02 -1.05 -2.35 113.55 109.88 3kr5 h SER 343 Ca -0.00 -0.42 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3kr5 h SER 343 Cb 0.85 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 3kr5 h SER 343 CO 0.06 1.17 0.44 0.58 -1.14 0.00 0.00 176.83 177.94 3kr5 h VAL 344 N 0.73 0.87 -0.00 2.27 2.07 -1.41 -2.54 116.25 118.25 3kr5 h VAL 344 Ca 0.08 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kr5 h VAL 344 Cb 0.84 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kr5 h VAL 344 CO 0.07 0.13 -0.20 0.61 0.02 0.00 0.00 177.57 178.21 3kr5 n GLY 345 N -1.32 -1.26 0.33 2.17 0.00 -1.00 -4.18 105.19 99.93 3kr5 n GLY 345 Ca 0.14 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.16 0.64 0.00 1.61 1.57 -0.98 0.29 116.57 119.86 3kr5 h LYS 346 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kr5 h LYS 346 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kr5 h LYS 346 CO 0.00 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 3kr5 n GLY 347 N -1.33 -1.10 3.86 3.86 0.00 -1.23 -4.49 105.19 104.77 3kr5 n GLY 347 Ca 0.20 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.76 6.69 0.22 1.61 0.15 0.10 -4.60 113.70 115.11 3kr5 s SER 348 Ca 0.16 1.07 0.25 0.00 0.70 0.00 0.00 55.95 58.13 3kr5 s SER 348 Cb 0.14 -2.28 0.87 0.00 -1.71 0.00 0.00 66.02 63.04 3kr5 s SER 348 CO 0.36 -0.12 1.76 1.15 1.20 0.00 0.00 173.24 177.58 3kr5 n MET 349 N -0.21 0.24 -3.61 5.44 0.00 -1.26 -4.67 117.12 113.04 3kr5 n MET 349 Ca 0.02 0.27 -0.37 0.00 0.00 0.00 0.00 57.70 57.62 3kr5 n MET 349 Cb 0.53 -1.82 -0.10 0.00 0.00 0.00 0.00 33.22 31.83 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 -3.16 3.28 0.46 3.17 1.51 -1.26 -4.90 117.35 116.44 3kr5 s TYR 350 Ca 0.09 0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 56.11 3kr5 s TYR 350 Cb 0.12 -2.33 -0.08 0.00 -0.11 0.00 0.00 41.96 39.55 3kr5 s TYR 350 CO 0.53 -0.04 1.41 -2.14 -1.11 0.00 0.00 175.55 174.20 3kr5 s PRO 351 N 1.38 3.66 0.39 -1.71 0.02 -1.26 -4.77 135.00 132.71 3kr5 s PRO 351 Ca 0.08 2.37 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 3kr5 s PRO 351 Cb -0.15 -2.63 -0.11 0.00 0.02 0.00 0.00 34.50 31.64 3kr5 s PRO 351 CO 0.07 -0.82 1.12 0.09 -0.33 0.00 0.00 177.00 177.13 3kr5 n ASN 352 N -0.24 1.83 -3.83 2.53 4.13 -1.26 -4.51 115.26 113.90 3kr5 n ASN 352 Ca 0.05 1.11 -0.23 0.00 1.68 0.00 0.00 54.58 57.19 3kr5 n ASN 352 Cb 0.42 -1.40 -0.17 0.00 -1.54 0.00 0.00 39.78 37.09 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 -1.96 0.81 -0.28 3.52 -0.14 -0.68 -4.05 119.74 116.96 3kr5 s LYS 353 Ca 0.61 -0.01 -0.11 0.00 -1.36 0.00 0.00 55.97 55.09 3kr5 s LYS 353 Cb -0.57 -1.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 3kr5 s LYS 353 CO 0.59 -0.23 0.21 0.12 -0.76 0.00 0.00 175.35 175.28 3kr5 s PHE 354 N 1.60 3.23 -0.14 3.18 2.19 -0.03 -0.89 117.98 127.12 3kr5 s PHE 354 Ca -0.00 0.16 -0.18 0.00 0.33 0.00 0.00 56.93 57.24 3kr5 s PHE 354 Cb -0.13 -2.39 -0.04 0.00 -1.31 0.00 0.00 43.02 39.15 3kr5 s PHE 354 CO -0.04 -0.15 0.49 0.42 1.83 0.00 0.00 175.22 177.77 3kr5 s ILE 355 N 1.74 5.16 -0.31 3.12 1.01 0.12 -0.86 121.20 131.18 3kr5 s ILE 355 Ca 0.08 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.69 3kr5 s ILE 355 Cb -0.16 -3.83 0.10 0.00 0.01 0.00 0.00 42.46 38.58 3kr5 s ILE 355 CO 0.10 0.28 0.10 -2.28 0.00 0.00 0.00 174.94 173.15 3kr5 s HIS 356 N 0.90 1.67 0.00 3.97 2.46 -0.07 -1.29 115.29 122.93 3kr5 s HIS 356 Ca 0.26 -1.71 -0.00 0.00 0.47 0.00 0.00 55.06 54.07 3kr5 s HIS 356 Cb -0.15 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.57 3kr5 s HIS 356 CO 0.10 -0.88 0.09 -0.51 -2.47 0.00 0.00 174.74 171.07 3kr5 s LEU 357 N 1.63 3.91 -0.04 8.88 1.02 0.11 -0.46 118.68 133.73 3kr5 s LEU 357 Ca 0.10 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.39 3kr5 s LEU 357 Cb -0.17 -2.32 0.03 0.00 0.02 0.00 0.00 46.19 43.75 3kr5 s LEU 357 CO -0.26 0.26 -0.01 -0.89 0.02 0.00 0.00 176.35 175.48 3kr5 s THR 358 N -1.22 0.30 -0.21 5.49 2.01 0.13 0.56 115.64 122.69 3kr5 s THR 358 Ca 0.24 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 3kr5 s THR 358 Cb -0.12 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3kr5 s THR 358 CO 0.15 0.19 0.01 -0.47 -0.69 0.00 0.00 174.62 173.81 3kr5 s TYR 359 N 1.19 3.06 -0.08 4.92 5.04 0.73 -1.55 117.35 130.65 3kr5 s TYR 359 Ca -0.07 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.16 3kr5 s TYR 359 Cb -0.13 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 3kr5 s TYR 359 CO -0.02 -0.24 -0.19 0.21 -1.34 0.00 0.00 175.55 173.98 3kr5 s LYS 360 N 1.04 2.86 0.70 4.97 2.36 -1.26 0.62 119.74 131.02 3kr5 s LYS 360 Ca 0.02 -0.79 -0.14 0.00 -2.55 0.00 0.00 55.97 52.51 3kr5 s LYS 360 Cb -0.14 -2.37 0.02 0.00 -1.05 0.00 0.00 37.83 34.29 3kr5 s LYS 360 CO 0.02 0.36 1.12 -1.12 1.55 0.00 0.00 175.35 177.27 3kr5 s SER 361 N -0.06 4.82 0.06 1.43 0.01 0.14 -4.99 113.70 115.11 3kr5 s SER 361 Ca -0.05 2.00 -0.21 0.00 1.31 0.00 0.00 55.95 59.00 3kr5 s SER 361 Cb -0.14 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.41 3kr5 s SER 361 CO 0.04 -1.83 1.51 0.07 0.41 0.00 0.00 173.24 173.45 3kr5 h LYS 362 N -0.31 0.24 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.58 3kr5 h LYS 362 Ca -0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 3kr5 h LYS 362 Cb 1.25 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 3kr5 h LYS 362 CO 0.53 0.44 0.00 0.41 -0.00 0.00 0.00 179.45 180.82 3kr5 n GLY 363 N -0.38 -1.54 3.75 0.07 0.00 -1.26 -4.97 105.19 100.86 3kr5 n GLY 363 Ca -0.05 -1.48 -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 -1.31 6.60 -0.23 1.61 3.84 -1.26 -4.81 116.67 121.10 3kr5 s ASP 364 Ca 0.00 2.74 -0.22 0.00 -0.00 0.00 0.00 52.55 55.07 3kr5 s ASP 364 Cb 0.00 -2.63 -0.02 0.00 -1.38 0.00 0.00 42.92 38.89 3kr5 s ASP 364 CO 0.00 -0.73 0.70 -0.69 -0.00 0.00 0.00 175.17 174.45 3kr5 s VAL 365 N -0.18 4.94 -0.05 2.11 1.01 -1.26 -3.84 120.40 123.14 3kr5 s VAL 365 Ca 0.59 1.32 0.13 0.00 0.00 0.00 0.00 61.98 64.01 3kr5 s VAL 365 Cb -0.43 -4.01 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 3kr5 s VAL 365 CO 0.46 0.02 0.29 0.29 0.00 0.00 0.00 175.10 176.17 3kr5 n LYS 366 N 5.56 0.51 -3.78 2.72 5.02 0.10 -4.96 118.16 123.33 3kr5 n LYS 366 Ca 0.01 -0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.05 3kr5 n LYS 366 Cb 0.49 -1.29 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.84 0.01 -0.19 1.97 2.47 -0.86 -5.04 119.74 115.26 3kr5 s LYS 367 Ca -0.04 0.22 -0.03 0.00 -1.56 0.00 0.00 55.97 54.57 3kr5 s LYS 367 Cb 0.08 -0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.26 3kr5 s LYS 367 CO 0.53 -0.14 -0.08 0.15 0.16 0.00 0.00 175.35 175.97 3kr5 s LYS 368 N 0.94 3.37 -0.07 4.03 1.02 -1.26 -0.72 119.74 127.05 3kr5 s LYS 368 Ca -0.08 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.31 3kr5 s LYS 368 Cb -0.11 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3kr5 s LYS 368 CO -0.03 -0.06 -0.19 0.42 -0.92 0.00 0.00 175.35 174.57 3kr5 s ILE 369 N 1.08 1.66 -0.26 2.17 1.01 0.30 0.46 121.20 127.62 3kr5 s ILE 369 Ca 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 3kr5 s ILE 369 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3kr5 s ILE 369 CO -0.01 0.47 0.09 0.00 0.00 0.00 0.00 174.94 175.49 3kr5 s ALA 370 N 0.25 3.22 -0.26 9.38 0.00 0.19 -0.16 121.76 134.38 3kr5 s ALA 370 Ca -0.11 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 3kr5 s ALA 370 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3kr5 s ALA 370 CO 0.05 -0.51 0.11 -0.51 0.00 0.00 0.00 175.76 174.89 3kr5 s LEU 371 N 1.64 3.63 -0.18 0.00 1.43 0.17 -1.08 118.68 124.30 3kr5 s LEU 371 Ca 0.06 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3kr5 s LEU 371 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3kr5 s LEU 371 CO 0.05 -0.03 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 3kr5 s VAL 372 N 1.61 2.69 -0.06 -1.59 1.01 0.57 0.21 120.40 124.85 3kr5 s VAL 372 Ca 0.06 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kr5 s VAL 372 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3kr5 s VAL 372 CO 0.06 0.50 -0.17 -0.83 0.00 0.00 0.00 175.10 174.66 3kr5 s GLY 373 N 1.09 1.48 0.04 4.51 0.00 0.45 0.45 107.32 115.34 3kr5 s GLY 373 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.42 3kr5 s GLY 373 CO -0.04 -0.70 1.39 1.25 0.00 0.00 0.00 173.10 174.99 3kr5 s LYS 374 N -0.53 4.31 -0.50 2.90 2.20 -0.31 -4.18 119.74 123.63 3kr5 s LYS 374 Ca 0.07 1.99 0.07 0.00 -0.36 0.00 0.00 55.97 57.74 3kr5 s LYS 374 Cb -0.11 -3.45 0.37 0.00 -1.51 0.00 0.00 37.83 33.12 3kr5 s LYS 374 CO 0.01 -0.51 0.97 0.41 -0.36 0.00 0.00 175.35 175.87 3kr5 n GLY 375 N 3.57 5.27 3.47 5.54 0.00 -1.25 -1.77 105.19 120.02 3kr5 n GLY 375 Ca 0.12 -2.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 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 -4.46 4.86 0.03 -0.61 -1.09 -0.82 -1.30 121.20 117.81 3kr5 s ILE 376 Ca 0.46 -0.28 0.18 0.00 -2.23 0.00 0.00 60.65 58.78 3kr5 s ILE 376 Cb 0.33 -4.26 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 3kr5 s ILE 376 CO -0.14 -0.72 1.62 0.71 -1.23 0.00 0.00 174.94 175.18 3kr5 h THR 377 N 5.86 0.86 -2.74 2.92 1.35 -1.34 -1.87 112.91 117.94 3kr5 h THR 377 Ca -0.27 -1.80 -0.13 0.00 -0.55 0.00 0.00 66.41 63.66 3kr5 h THR 377 Cb 1.10 2.13 -0.26 0.00 -1.73 0.00 0.00 68.15 69.39 3kr5 h THR 377 CO 0.93 0.42 -0.31 0.12 -0.25 0.00 0.00 175.52 176.43 3kr5 s PHE 378 N -3.33 -0.51 -0.48 4.73 5.36 -1.26 -4.33 117.98 118.16 3kr5 s PHE 378 Ca 0.02 1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 57.10 3kr5 s PHE 378 Cb 0.09 0.20 0.13 0.00 -0.34 0.00 0.00 43.02 43.10 3kr5 s PHE 378 CO 0.71 -0.28 0.28 0.34 -1.46 0.00 0.00 175.22 174.81 3kr5 s ASP 379 N 0.97 5.24 0.24 6.13 2.15 -1.11 -0.64 116.67 129.65 3kr5 s ASP 379 Ca -0.06 -2.31 0.26 0.00 0.43 0.00 0.00 52.55 50.86 3kr5 s ASP 379 Cb -0.07 -1.84 0.80 0.00 -0.30 0.00 0.00 42.92 41.51 3kr5 s ASP 379 CO -0.08 -0.49 1.76 0.77 -0.17 0.00 0.00 175.17 176.97 3kr5 h SER 380 N 7.70 0.00 0.00 -0.34 4.64 -1.40 -3.45 113.55 120.69 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 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3kr5 h SER 380 CO 0.71 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 3kr5 n GLY 381 N 1.16 1.08 7.00 -0.77 0.00 -1.25 -0.79 105.19 111.61 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 0.59 0.39 -0.02 0.00 -1.26 -2.01 105.19 100.88 3kr5 n GLY 382 Ca 0.00 -0.78 0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -0.11 1.61 0.05 -1.81 0.50 116.97 117.21 3kr5 h TYR 383 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 3kr5 h TYR 383 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 3kr5 h TYR 383 CO 0.00 0.00 3.73 0.09 -1.05 0.00 0.00 178.16 180.93 3kr5 n ASN 384 N -4.32 8.68 -4.63 3.88 4.13 -1.19 -4.97 115.26 116.84 3kr5 n ASN 384 Ca 0.10 -2.63 -0.41 0.00 1.68 0.00 0.00 54.58 53.32 3kr5 n ASN 384 Cb 0.63 -1.54 0.01 0.00 -1.54 0.00 0.00 39.78 37.34 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 3.43 2.92 -4.57 3.41 7.94 0.17 -4.43 117.00 125.86 3kr5 n LEU 385 Ca 0.77 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 56.35 3kr5 n LEU 385 Cb 0.23 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 42.77 3kr5 n LEU 385 CO 0.84 -1.26 1.74 -0.54 -1.11 0.00 0.00 177.39 177.07 3kr5 s LYS 386 N -2.03 3.50 -0.00 1.96 1.02 0.03 -4.49 119.74 119.72 3kr5 s LYS 386 Ca 0.62 -1.54 0.06 0.00 0.02 0.00 0.00 55.97 55.13 3kr5 s LYS 386 Cb -0.56 -5.41 -0.07 0.00 -0.52 0.00 0.00 37.83 31.27 3kr5 s LYS 386 CO 0.57 -2.69 0.19 0.00 -0.92 0.00 0.00 175.35 172.50 3kr5 n ALA 387 N 10.14 2.51 -1.77 5.17 0.00 -1.26 -4.66 120.51 130.64 3kr5 n ALA 387 Ca 0.44 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 3kr5 n ALA 387 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.90 2.95 0.28 0.00 0.00 -1.26 -4.96 121.76 116.86 3kr5 s ALA 388 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3kr5 s ALA 388 Cb 0.04 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 3kr5 s ALA 388 CO 0.23 -0.60 1.40 -2.30 0.00 0.00 0.00 175.76 174.49 3kr5 n PRO 389 N -0.56 2.18 -0.98 0.00 -0.02 -1.26 -1.91 135.00 132.45 3kr5 n PRO 389 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3kr5 n PRO 389 Cb 0.49 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.71 0.65 0.13 -1.23 0.00 -1.26 -4.88 105.19 100.30 3kr5 n GLY 390 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3kr5 n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kr5 h SER 391 N 0.00 0.00 -6.06 1.61 4.64 -1.74 -3.48 113.55 108.53 3kr5 h SER 391 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3kr5 h SER 391 Cb 0.06 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.22 3kr5 h SER 391 CO 0.00 0.00 -0.85 0.23 -0.87 0.00 0.00 176.83 175.34 3kr5 n MET 392 N -2.35 -4.01 0.28 4.77 2.81 -1.26 -4.85 117.12 112.50 3kr5 n MET 392 Ca 0.04 0.61 0.11 0.00 -1.81 0.00 0.00 57.70 56.65 3kr5 n MET 392 Cb 0.35 -5.05 0.76 0.00 -0.71 0.00 0.00 33.22 28.57 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 -1.79 0.77 0.00 2.02 2.10 -1.93 -1.78 117.51 116.89 3kr5 h ILE 393 Ca -0.62 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.25 3kr5 h ILE 393 Cb 1.35 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 3kr5 h ILE 393 CO 0.54 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 176.73 3kr5 n ASP 394 N -4.15 0.66 0.00 2.19 5.75 -1.26 -2.28 116.55 117.45 3kr5 n ASP 394 Ca -0.03 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.50 3kr5 n ASP 394 Cb 0.10 -0.79 0.11 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.20 0.68 0.00 -2.12 7.94 -0.67 -4.57 117.00 116.06 3kr5 n LEU 395 Ca 0.03 -0.17 0.06 0.00 -1.11 0.00 0.00 56.01 54.82 3kr5 n LEU 395 Cb 0.27 -0.16 0.38 0.00 0.53 0.00 0.00 43.42 44.44 3kr5 n LEU 395 CO 0.22 0.16 0.64 0.23 -1.11 0.00 0.00 177.39 177.53 3kr5 n MET 396 N -1.52 0.70 0.22 1.96 2.81 -0.97 -0.88 117.12 119.45 3kr5 n MET 396 Ca 0.05 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.09 3kr5 n MET 396 Cb 0.34 -1.29 0.72 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.00 0.03 2.10 -1.81 -2.90 116.57 113.99 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kr5 h LYS 397 CO 0.00 0.00 -0.23 1.97 -2.00 0.00 0.00 179.45 179.19 3kr5 n PHE 398 N -2.65 0.00 0.93 0.07 -0.00 -0.05 -3.92 117.46 111.83 3kr5 n PHE 398 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 3kr5 n PHE 398 Cb 0.17 -0.22 0.17 0.00 -0.00 0.00 0.00 39.48 39.59 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 -1.08 0.00 -0.79 5.98 2.03 -1.15 -0.83 116.55 120.70 3kr5 n ASP 399 Ca 0.11 -0.76 0.07 0.00 0.52 0.00 0.00 54.79 54.73 3kr5 n ASP 399 Cb 0.32 0.00 0.20 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 -0.69 2.95 -0.34 -0.67 0.00 -0.70 -1.95 117.12 115.72 3kr5 n MET 400 Ca 0.04 -2.34 0.16 0.00 0.00 0.00 0.00 57.70 55.57 3kr5 n MET 400 Cb 0.02 -1.47 0.38 0.00 0.00 0.00 0.00 33.22 32.15 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 2.18 0.68 -0.48 3.17 0.02 -1.14 0.30 113.55 118.29 3kr5 h SER 401 Ca 0.00 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3kr5 h SER 401 Cb 0.98 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3kr5 h SER 401 CO 0.08 0.17 0.17 1.23 -1.14 0.00 0.00 176.83 177.34 3kr5 h GLY 402 N 0.62 0.78 1.00 -3.77 0.00 -1.73 0.42 103.07 100.38 3kr5 h GLY 402 Ca 0.61 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 3kr5 h GLY 402 CO -0.40 0.42 0.15 0.00 0.00 0.00 0.00 176.54 176.71 3kr5 h ALA 404 N 1.03 0.44 -0.27 0.00 0.00 0.12 -0.02 119.26 120.56 3kr5 h ALA 404 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kr5 h ALA 404 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kr5 h ALA 404 CO -0.00 -0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.23 3kr5 h ALA 405 N 1.17 0.34 -0.40 0.00 0.00 0.25 0.23 119.26 120.86 3kr5 h ALA 405 Ca 0.15 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3kr5 h ALA 405 Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3kr5 h ALA 405 CO -0.09 -0.14 0.08 0.28 0.00 0.00 0.00 179.25 179.38 3kr5 h VAL 406 N 0.33 0.79 -0.61 0.00 2.07 -0.90 0.15 116.25 118.08 3kr5 h VAL 406 Ca 0.09 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3kr5 h VAL 406 Cb 0.05 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3kr5 h VAL 406 CO -0.02 0.04 0.23 -0.07 0.02 0.00 0.00 177.57 177.77 3kr5 h LEU 407 N 0.20 0.86 -0.94 2.57 3.38 -0.27 0.70 115.31 121.81 3kr5 h LEU 407 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 407 Cb 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kr5 h LEU 407 CO -0.25 0.81 0.27 1.23 0.09 0.00 0.00 178.44 180.58 3kr5 h GLY 408 N 0.86 1.12 0.98 0.83 0.00 -0.12 -0.53 103.07 106.20 3kr5 h GLY 408 Ca 0.20 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kr5 h GLY 408 CO -0.01 0.57 0.25 0.00 0.00 0.00 0.00 176.54 177.35 3kr5 h ALA 410 N 1.11 1.13 -0.43 0.00 0.00 -0.13 0.18 119.26 121.13 3kr5 h ALA 410 Ca 0.15 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3kr5 h ALA 410 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kr5 h ALA 410 CO -0.03 -0.09 0.25 -0.92 0.00 0.00 0.00 179.25 178.46 3kr5 h TYR 411 N 0.59 0.47 -0.12 0.00 3.20 -0.48 0.29 116.97 120.92 3kr5 h TYR 411 Ca 0.41 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.28 3kr5 h TYR 411 Cb 0.54 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 3kr5 h TYR 411 CO -0.11 0.28 -0.01 0.00 -1.64 0.00 0.00 178.16 176.68 3kr5 h VAL 413 N -0.06 1.13 -0.03 0.00 2.07 -0.67 0.47 116.25 119.16 3kr5 h VAL 413 Ca 0.03 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3kr5 h VAL 413 Cb 0.38 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3kr5 h VAL 413 CO 0.01 0.14 -0.07 1.23 0.02 0.00 0.00 177.57 178.89 3kr5 h GLY 414 N 0.48 0.04 0.04 2.17 0.00 -0.31 0.14 103.07 105.64 3kr5 h GLY 414 Ca 0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 3kr5 h GLY 414 CO -0.02 0.02 -0.97 -0.84 0.00 0.00 0.00 176.54 174.73 3kr5 h THR 415 N 0.04 1.14 0.00 4.70 2.02 -0.68 -3.35 112.91 116.78 3kr5 h THR 415 Ca 0.01 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.95 3kr5 h THR 415 Cb 0.16 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3kr5 h THR 415 CO 0.01 0.42 0.00 0.18 0.37 0.00 0.00 175.52 176.50 3kr5 n LEU 416 N -4.43 0.55 -3.81 2.58 4.77 0.16 -4.97 117.00 111.85 3kr5 n LEU 416 Ca -0.26 0.57 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 3kr5 n LEU 416 Cb 0.65 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3kr5 n LEU 416 CO 0.24 -0.20 -0.17 0.29 -1.33 0.00 0.00 177.39 176.22 3kr5 n LYS 417 N -2.03 -1.14 -1.20 3.23 5.02 0.48 -4.94 118.16 117.59 3kr5 n LYS 417 Ca 0.05 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 3kr5 n LYS 417 Cb 0.36 -2.74 0.11 0.00 -0.02 0.00 0.00 35.03 32.74 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 -5.57 1.87 0.25 1.97 0.04 -1.26 -5.03 135.00 127.26 3kr5 s PRO 418 Ca 0.17 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.80 3kr5 s PRO 418 Cb -0.09 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3kr5 s PRO 418 CO 0.90 -2.00 0.39 -1.21 0.04 0.00 0.00 177.00 175.12 3kr5 s GLU 419 N -4.35 3.45 -1.48 4.56 2.02 -1.26 -4.57 118.70 117.07 3kr5 s GLU 419 Ca 0.69 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.00 3kr5 s GLU 419 Cb -0.24 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.13 3kr5 s GLU 419 CO 0.51 0.39 0.00 0.09 0.02 0.00 0.00 175.26 176.27 3kr5 n ASN 420 N -1.42 -5.01 -4.19 -0.19 3.02 -1.25 -4.96 115.26 101.26 3kr5 n ASN 420 Ca -0.08 0.34 -0.23 0.00 -0.03 0.00 0.00 54.58 54.58 3kr5 n ASN 420 Cb 0.57 -3.74 -0.14 0.00 -0.61 0.00 0.00 39.78 35.86 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 -2.40 1.37 -0.19 2.41 -7.23 -1.26 0.00 120.40 113.09 3kr5 s VAL 421 Ca 0.00 -1.01 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3kr5 s VAL 421 Cb 0.00 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.75 3kr5 s VAL 421 CO 0.00 0.16 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.10 3kr5 s GLU 422 N -0.99 3.13 -0.11 4.82 2.12 0.10 -0.69 118.70 127.08 3kr5 s GLU 422 Ca 0.05 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.64 3kr5 s GLU 422 Cb -0.08 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.60 3kr5 s GLU 422 CO 0.01 -0.18 -0.21 0.42 -0.54 0.00 0.00 175.26 174.76 3kr5 s ILE 423 N 1.30 2.33 -0.19 -3.70 1.01 0.20 -0.54 121.20 121.62 3kr5 s ILE 423 Ca 0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 3kr5 s ILE 423 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3kr5 s ILE 423 CO -0.09 0.55 0.05 -1.00 0.00 0.00 0.00 174.94 174.45 3kr5 s HIS 424 N 0.39 3.21 -0.27 3.97 3.76 0.77 -0.19 115.29 126.92 3kr5 s HIS 424 Ca -0.16 -0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3kr5 s HIS 424 Cb -0.17 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.45 3kr5 s HIS 424 CO 0.07 0.08 0.02 -0.06 -0.85 0.00 0.00 174.74 174.01 3kr5 s PHE 425 N 0.49 3.11 -0.03 1.40 0.08 0.19 0.45 117.98 123.67 3kr5 s PHE 425 Ca 0.02 -1.21 0.05 0.00 0.12 0.00 0.00 56.93 55.91 3kr5 s PHE 425 Cb -0.13 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 3kr5 s PHE 425 CO 0.01 -0.63 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.82 3kr5 s LEU 426 N 1.43 1.96 -0.17 -0.37 1.43 0.13 0.04 118.68 123.13 3kr5 s LEU 426 Ca 0.02 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 3kr5 s LEU 426 Cb -0.17 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.23 3kr5 s LEU 426 CO -0.00 0.17 0.38 -0.55 0.23 0.00 0.00 176.35 176.57 3kr5 s SER 427 N -0.14 -0.26 -0.83 2.29 0.15 -0.41 -0.41 113.70 114.08 3kr5 s SER 427 Ca 0.01 0.85 -0.25 0.00 0.70 0.00 0.00 55.95 57.26 3kr5 s SER 427 Cb -0.09 0.94 0.05 0.00 -1.71 0.00 0.00 66.02 65.21 3kr5 s SER 427 CO 0.01 -0.21 1.28 0.00 1.20 0.00 0.00 173.24 175.52 3kr5 s ALA 428 N 1.99 2.83 -0.08 5.45 0.00 -1.26 0.16 121.76 130.85 3kr5 s ALA 428 Ca -0.05 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 49.95 3kr5 s ALA 428 Cb -0.10 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.69 3kr5 s ALA 428 CO -0.12 -3.30 0.46 0.08 0.00 0.00 0.00 175.76 172.88 3kr5 s VAL 429 N 5.09 5.12 0.27 0.00 1.01 -0.07 -3.90 120.40 127.92 3kr5 s VAL 429 Ca 0.36 0.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.07 3kr5 s VAL 429 Cb -0.07 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3kr5 s VAL 429 CO 0.05 0.41 0.95 0.00 0.00 0.00 0.00 175.10 176.51 3kr5 s GLU 431 N -2.14 1.75 -0.62 0.00 2.12 -1.26 -1.00 118.70 117.55 3kr5 s GLU 431 Ca 0.20 -0.51 -0.17 0.00 0.36 0.00 0.00 54.97 54.85 3kr5 s GLU 431 Cb -0.04 -1.47 0.13 0.00 0.26 0.00 0.00 34.13 33.01 3kr5 s GLU 431 CO 0.08 0.12 0.66 1.21 -0.54 0.00 0.00 175.26 176.79 3kr5 s ASN 432 N 0.37 6.29 0.39 -1.70 2.47 0.19 -4.28 114.94 118.67 3kr5 s ASN 432 Ca -0.10 -1.79 0.06 0.00 0.42 0.00 0.00 52.86 51.45 3kr5 s ASN 432 Cb -0.14 -2.26 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 3kr5 s ASN 432 CO 0.03 -0.94 0.02 -0.04 -3.72 0.00 0.00 177.10 172.46 3kr5 s MET 433 N 1.90 1.89 -0.18 0.43 -1.94 -1.26 -0.94 119.30 119.19 3kr5 s MET 433 Ca 0.10 -2.07 -0.06 0.00 -1.71 0.00 0.00 55.69 51.96 3kr5 s MET 433 Cb -0.23 -1.43 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 3kr5 s MET 433 CO 0.02 -0.10 0.01 0.08 -0.01 0.00 0.00 175.02 175.03 3kr5 s VAL 434 N -2.87 4.26 0.05 -6.03 1.01 -1.26 -4.48 120.40 111.08 3kr5 s VAL 434 Ca 0.34 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 3kr5 s VAL 434 Cb 0.09 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.66 3kr5 s VAL 434 CO 0.17 0.46 0.90 -0.55 0.00 0.00 0.00 175.10 176.08 3kr5 s SER 435 N 0.58 -0.32 0.65 3.32 0.15 -1.26 -4.98 113.70 111.83 3kr5 s SER 435 Ca 0.00 -0.12 0.38 0.00 0.70 0.00 0.00 55.95 56.92 3kr5 s SER 435 Cb -0.14 0.42 2.13 0.00 -1.71 0.00 0.00 66.02 66.72 3kr5 s SER 435 CO 0.02 -0.71 2.26 0.07 1.20 0.00 0.00 173.24 176.08 3kr5 h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.54 116.57 121.58 3kr5 h LYS 436 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3kr5 h LYS 436 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kr5 h LYS 436 CO 0.30 0.00 -0.12 0.09 -2.00 0.00 0.00 179.45 177.71 3kr5 n ASN 437 N -3.28 2.42 -4.77 7.07 5.03 -1.26 -4.99 115.26 115.48 3kr5 n ASN 437 Ca -0.02 -1.74 -0.33 0.00 0.87 0.00 0.00 54.58 53.36 3kr5 n ASN 437 Cb 0.14 0.11 0.05 0.00 -1.02 0.00 0.00 39.78 39.07 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 -2.14 5.05 0.56 6.41 0.01 -0.96 -3.48 113.70 119.15 3kr5 s SER 438 Ca 0.27 1.94 -0.18 0.00 1.31 0.00 0.00 55.95 59.29 3kr5 s SER 438 Cb 0.20 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 3kr5 s SER 438 CO 0.38 -1.67 1.08 -0.72 0.41 0.00 0.00 173.24 172.72 3kr5 s TYR 439 N -2.49 2.84 0.21 2.43 1.13 -1.26 -4.84 117.35 115.38 3kr5 s TYR 439 Ca 0.65 1.55 0.07 0.00 -1.41 0.00 0.00 57.07 57.92 3kr5 s TYR 439 Cb -0.19 -3.13 -0.04 0.00 -1.10 0.00 0.00 41.96 37.50 3kr5 s TYR 439 CO 0.45 -1.26 0.12 1.03 -2.51 0.00 0.00 175.55 173.37 3kr5 s ARG 440 N -3.61 2.76 0.30 -3.49 0.52 -1.26 -4.56 118.95 109.62 3kr5 s ARG 440 Ca 0.68 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 3kr5 s ARG 440 Cb -0.19 -2.51 -0.11 0.00 0.52 0.00 0.00 34.95 32.66 3kr5 s ARG 440 CO 0.30 0.43 1.58 -2.14 0.02 0.00 0.00 175.30 175.49 3kr5 s PRO 441 N -3.45 4.12 0.00 3.54 0.01 -1.26 -1.70 135.00 136.26 3kr5 s PRO 441 Ca 0.31 2.58 0.00 0.00 0.01 0.00 0.00 61.00 63.90 3kr5 s PRO 441 Cb -0.09 -3.02 0.00 0.00 0.01 0.00 0.00 34.50 31.41 3kr5 s PRO 441 CO 0.23 -0.63 0.00 0.41 0.01 0.00 0.00 177.00 177.02 3kr5 n GLY 442 N 1.96 3.03 3.67 0.52 0.00 0.38 -5.01 105.19 109.73 3kr5 n GLY 442 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 2.23 -4.47 1.61 9.92 -0.69 -4.47 116.55 120.68 3kr5 n ASP 443 Ca 0.00 1.15 -0.35 0.00 -0.53 0.00 0.00 54.79 55.06 3kr5 n ASP 443 Cb 0.00 -1.44 -0.12 0.00 -0.64 0.00 0.00 41.12 38.92 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 -1.15 4.04 0.13 0.53 1.01 -1.26 0.12 121.20 124.62 3kr5 s ILE 444 Ca 0.59 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 61.00 3kr5 s ILE 444 Cb -0.57 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3kr5 s ILE 444 CO 0.60 0.44 -0.12 0.27 0.00 0.00 0.00 174.94 176.13 3kr5 s ILE 445 N 0.88 1.21 -0.19 2.92 -4.36 0.91 -4.90 121.20 117.67 3kr5 s ILE 445 Ca 0.01 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.55 3kr5 s ILE 445 Cb -0.14 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.95 3kr5 s ILE 445 CO 0.02 -0.57 -0.13 -0.89 0.24 0.00 0.00 174.94 173.62 3kr5 s THR 446 N -2.64 2.74 0.85 8.37 2.01 -1.26 0.62 115.64 126.34 3kr5 s THR 446 Ca 0.11 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 3kr5 s THR 446 Cb -0.02 -2.20 0.10 0.00 0.01 0.00 0.00 72.50 70.40 3kr5 s THR 446 CO 0.02 0.49 1.09 0.00 -0.69 0.00 0.00 174.62 175.53 3kr5 s ALA 447 N 1.21 1.82 0.13 7.40 0.00 0.17 -2.34 121.76 130.15 3kr5 s ALA 447 Ca 0.02 -0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.21 3kr5 s ALA 447 Cb -0.14 -3.18 1.53 0.00 0.00 0.00 0.00 23.12 21.33 3kr5 s ALA 447 CO -0.05 -2.11 1.85 0.66 0.00 0.00 0.00 175.76 176.11 3kr5 h SER 448 N -1.37 0.00 -0.49 0.00 4.64 -1.60 0.97 113.55 115.70 3kr5 h SER 448 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kr5 h SER 448 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kr5 h SER 448 CO 0.55 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 3kr5 n ASN 449 N -2.52 3.11 0.00 4.97 6.94 -1.26 -4.92 115.26 121.58 3kr5 n ASN 449 Ca -0.02 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3kr5 n ASN 449 Cb 0.09 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 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 1.44 1.78 3.70 4.83 0.00 0.34 -5.02 105.19 112.25 3kr5 n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.44 4.19 0.03 1.61 1.02 -1.26 -4.71 119.74 120.19 3kr5 s LYS 451 Ca 0.00 2.37 -0.25 0.00 0.02 0.00 0.00 55.97 58.11 3kr5 s LYS 451 Cb 0.00 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3kr5 s LYS 451 CO 0.00 -0.71 0.78 0.95 -0.92 0.00 0.00 175.35 175.46 3kr5 s THR 452 N 2.18 4.76 -0.11 2.17 -4.23 -1.26 -0.65 115.64 118.49 3kr5 s THR 452 Ca 0.73 1.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.94 3kr5 s THR 452 Cb -0.42 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.29 3kr5 s THR 452 CO 0.32 0.34 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.88 3kr5 s ILE 453 N 0.11 2.04 -0.25 2.99 1.01 0.20 -1.23 121.20 126.07 3kr5 s ILE 453 Ca 0.40 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 3kr5 s ILE 453 Cb -0.20 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3kr5 s ILE 453 CO 0.23 0.55 0.74 -0.70 0.00 0.00 0.00 174.94 175.77 3kr5 s GLU 454 N 0.51 4.14 -0.41 2.79 2.12 0.30 -0.06 118.70 128.09 3kr5 s GLU 454 Ca -0.15 0.76 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 3kr5 s GLU 454 Cb -0.17 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.59 3kr5 s GLU 454 CO 0.05 -0.48 1.10 0.08 -0.54 0.00 0.00 175.26 175.47 3kr5 s VAL 455 N 2.71 4.35 -0.34 3.70 1.01 0.12 -1.35 120.40 130.59 3kr5 s VAL 455 Ca 0.31 1.42 0.23 0.00 0.00 0.00 0.00 61.98 63.93 3kr5 s VAL 455 Cb -0.15 -4.52 -0.14 0.00 0.00 0.00 0.00 36.38 31.57 3kr5 s VAL 455 CO 0.08 -0.78 0.89 0.61 0.00 0.00 0.00 175.10 175.90 3kr5 n GLY 456 N 4.44 -1.24 3.41 4.51 0.00 -1.26 0.14 105.19 115.19 3kr5 n GLY 456 Ca 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.54 -1.24 0.48 1.61 3.84 -1.26 -4.75 114.94 109.08 3kr5 s ASN 457 Ca -0.01 1.24 0.33 0.00 0.21 0.00 0.00 52.86 54.62 3kr5 s ASN 457 Cb 0.13 2.22 1.66 0.00 -0.55 0.00 0.00 41.25 44.71 3kr5 s ASN 457 CO 0.83 -0.24 1.99 0.71 -2.79 0.00 0.00 177.10 177.60 3kr5 h THR 458 N 6.00 0.00 0.00 -5.21 1.35 -1.90 -0.43 112.91 112.72 3kr5 h THR 458 Ca -0.20 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3kr5 h THR 458 Cb 1.13 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3kr5 h THR 458 CO 0.18 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.78 3kr5 n ASP 459 N -2.69 0.41 -2.97 5.36 2.03 -0.85 -3.44 116.55 114.40 3kr5 n ASP 459 Ca -0.01 0.55 -0.34 0.00 0.52 0.00 0.00 54.79 55.50 3kr5 n ASP 459 Cb 0.11 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.84 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 -1.65 6.54 0.11 -1.67 0.00 -0.17 -4.65 120.51 119.03 3kr5 n ALA 460 Ca 0.06 -3.67 0.01 0.00 0.00 0.00 0.00 53.44 49.84 3kr5 n ALA 460 Cb 0.36 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 3.62 0.00 -0.18 0.00 9.09 -1.78 -3.36 114.58 121.97 3kr5 h GLU 461 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 3kr5 h GLU 461 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3kr5 h GLU 461 CO 1.17 0.50 0.11 0.78 0.05 0.00 0.00 179.01 181.62 3kr5 h GLY 462 N 3.50 0.26 2.00 1.06 0.00 -1.91 -1.78 103.07 106.20 3kr5 h GLY 462 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3kr5 h GLY 462 CO 0.07 0.10 -0.08 0.07 0.00 0.00 0.00 176.54 176.69 3kr5 h ARG 463 N 0.23 0.00 -0.19 4.80 0.11 -1.94 0.28 114.38 117.67 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 -0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3kr5 h ARG 463 CO -0.01 0.08 -0.07 -0.07 0.10 0.00 0.00 179.97 180.00 3kr5 h LEU 464 N 0.00 0.40 -0.26 0.08 3.38 -1.51 0.95 115.31 118.35 3kr5 h LEU 464 Ca -0.00 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 3kr5 h LEU 464 Cb 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kr5 h LEU 464 CO 0.01 0.70 -0.36 0.71 0.09 0.00 0.00 178.44 179.59 3kr5 h THR 465 N 0.09 1.30 -0.80 0.22 1.35 -0.62 -2.97 112.91 111.49 3kr5 h THR 465 Ca 0.05 -1.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.34 3kr5 h THR 465 Cb 0.54 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 3kr5 h THR 465 CO 0.02 0.49 0.43 -0.07 -0.25 0.00 0.00 175.52 176.15 3kr5 h LEU 466 N 0.44 1.00 -0.14 3.87 3.38 -0.50 -1.15 115.31 122.20 3kr5 h LEU 466 Ca 0.03 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 466 Cb 0.95 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3kr5 h LEU 466 CO 0.08 0.81 -0.40 0.00 0.09 0.00 0.00 178.44 179.02 3kr5 h ALA 467 N 1.36 -0.75 -0.16 1.53 0.00 -0.65 0.65 119.26 121.24 3kr5 h ALA 467 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 467 Cb 0.03 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kr5 h ALA 467 CO -0.04 -0.90 0.11 -0.44 0.00 0.00 0.00 179.25 177.98 3kr5 h ASP 468 N -0.40 0.11 0.12 0.00 3.32 -1.39 -1.29 116.42 116.90 3kr5 h ASP 468 Ca 0.03 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 3kr5 h ASP 468 Cb 0.48 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3kr5 h ASP 468 CO -0.35 0.08 -0.60 0.00 -1.72 0.00 0.00 179.24 176.65 3kr5 h ALA 469 N 1.91 0.69 -0.28 3.45 0.00 -0.07 -2.26 119.26 122.70 3kr5 h ALA 469 Ca 0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 3kr5 h ALA 469 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kr5 h ALA 469 CO -0.01 0.71 -0.29 -0.07 0.00 0.00 0.00 179.25 179.58 3kr5 h LEU 470 N 0.36 0.74 -0.65 0.00 3.38 0.14 0.16 115.31 119.44 3kr5 h LEU 470 Ca -0.00 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3kr5 h LEU 470 Cb 1.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3kr5 h LEU 470 CO 0.11 1.07 0.39 0.58 0.09 0.00 0.00 178.44 180.68 3kr5 h VAL 471 N 0.43 1.07 -0.04 1.22 2.07 -1.33 0.36 116.25 120.02 3kr5 h VAL 471 Ca 0.04 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kr5 h VAL 471 Cb 0.87 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3kr5 h VAL 471 CO 0.07 0.14 0.01 0.22 0.02 0.00 0.00 177.57 178.03 3kr5 h TYR 472 N 0.77 0.01 -0.49 1.57 3.20 -1.28 -1.87 116.97 118.88 3kr5 h TYR 472 Ca 0.26 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3kr5 h TYR 472 Cb 0.04 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 3kr5 h TYR 472 CO -0.05 0.01 0.14 0.00 -1.64 0.00 0.00 178.16 176.62 3kr5 h ALA 473 N 1.03 0.58 0.00 1.82 0.00 0.04 -2.03 119.26 120.70 3kr5 h ALA 473 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3kr5 h ALA 473 Cb 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kr5 h ALA 473 CO -0.03 -0.26 -0.61 1.49 0.00 0.00 0.00 179.25 179.84 3kr5 h GLU 474 N 0.30 0.00 0.00 0.00 4.81 -0.87 -1.54 114.58 117.28 3kr5 h GLU 474 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3kr5 h GLU 474 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kr5 h GLU 474 CO -0.27 0.61 -0.04 0.87 -0.73 0.00 0.00 179.01 179.46 3kr5 h LYS 475 N 0.00 0.00 0.00 1.92 1.57 -0.60 -1.84 116.57 117.61 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 0.08 0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.93 3kr5 h LEU 476 N 0.00 0.00 -2.17 2.94 4.07 -0.97 -3.47 115.31 115.70 3kr5 h LEU 476 Ca -0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 3kr5 h LEU 476 Cb 0.20 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.01 3kr5 h LEU 476 CO 0.00 0.00 -0.30 0.61 -1.08 0.00 0.00 178.44 177.67 3kr5 n GLY 477 N 0.03 0.13 4.00 0.83 0.00 -0.69 -5.04 105.19 104.45 3kr5 n GLY 477 Ca 0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.14 3.33 -0.06 1.61 -7.23 -1.26 -4.94 120.40 108.71 3kr5 s VAL 478 Ca 0.06 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3kr5 s VAL 478 Cb -0.01 -3.15 -0.26 0.00 0.56 0.00 0.00 36.38 33.52 3kr5 s VAL 478 CO 0.28 -0.07 0.62 0.44 -0.31 0.00 0.00 175.10 176.06 3kr5 h ASP 479 N 0.61 0.31 -4.17 4.85 3.32 -0.38 -3.47 116.42 117.49 3kr5 h ASP 479 Ca -0.42 -0.57 -0.46 0.00 0.02 0.00 0.00 57.03 55.59 3kr5 h ASP 479 Cb 1.27 -0.10 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 3kr5 h ASP 479 CO 0.49 1.50 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.40 3kr5 s TYR 480 N -2.59 1.15 -0.20 4.55 2.02 -0.96 -3.78 117.35 117.54 3kr5 s TYR 480 Ca -0.13 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3kr5 s TYR 480 Cb 0.07 -0.74 0.01 0.00 -0.40 0.00 0.00 41.96 40.90 3kr5 s TYR 480 CO 0.81 -0.02 -0.14 0.42 -1.57 0.00 0.00 175.55 175.06 3kr5 s ILE 481 N -0.33 2.57 -0.18 2.71 1.01 -0.56 -0.64 121.20 125.77 3kr5 s ILE 481 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3kr5 s ILE 481 Cb -0.05 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3kr5 s ILE 481 CO -0.00 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 3kr5 s VAL 482 N 1.36 2.09 0.05 2.92 1.01 -0.24 -1.02 120.40 126.58 3kr5 s VAL 482 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kr5 s VAL 482 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3kr5 s VAL 482 CO -0.09 0.51 0.13 1.51 0.00 0.00 0.00 175.10 177.16 3kr5 s ASP 483 N 1.29 5.91 -0.03 3.32 1.47 -0.40 -0.32 116.67 127.91 3kr5 s ASP 483 Ca 0.04 0.14 0.01 0.00 1.18 0.00 0.00 52.55 53.92 3kr5 s ASP 483 Cb -0.13 -1.71 0.02 0.00 -0.34 0.00 0.00 42.92 40.75 3kr5 s ASP 483 CO -0.12 0.19 -0.03 -0.51 0.68 0.00 0.00 175.17 175.38 3kr5 s ILE 484 N -1.40 0.39 -0.26 2.11 2.07 0.17 -0.11 121.20 124.17 3kr5 s ILE 484 Ca 0.30 -0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.23 3kr5 s ILE 484 Cb -0.12 -0.42 0.07 0.00 0.13 0.00 0.00 42.46 42.11 3kr5 s ILE 484 CO 0.23 0.18 0.71 0.00 -1.91 0.00 0.00 174.94 174.14 3kr5 s ALA 485 N 0.77 -1.75 -1.33 1.50 0.00 -0.02 -1.16 121.76 119.77 3kr5 s ALA 485 Ca -0.09 1.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 3kr5 s ALA 485 Cb -0.12 -1.15 0.08 0.00 0.00 0.00 0.00 23.12 21.93 3kr5 s ALA 485 CO -0.00 -0.34 1.84 0.25 0.00 0.00 0.00 175.76 177.51 3kr5 n THR 486 N 2.67 3.88 -0.05 0.00 -2.24 -1.26 -0.36 114.28 116.91 3kr5 n THR 486 Ca -0.14 -3.91 -0.22 0.00 -2.27 0.00 0.00 64.05 57.51 3kr5 n THR 486 Cb 0.55 -2.43 -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 7.23 2.36 -3.79 3.22 7.94 -1.26 -4.73 117.00 127.98 3kr5 n LEU 487 Ca 0.48 0.26 -0.18 0.00 -1.11 0.00 0.00 56.01 55.46 3kr5 n LEU 487 Cb 0.43 -1.03 -0.17 0.00 0.53 0.00 0.00 43.42 43.18 3kr5 n LEU 487 CO 0.79 0.65 -0.37 0.42 -1.11 0.00 0.00 177.39 177.77 3kr5 s THR 488 N -2.49 0.15 0.57 1.96 -4.23 -1.26 -4.94 115.64 105.41 3kr5 s THR 488 Ca -0.27 0.15 0.27 0.00 -1.18 0.00 0.00 61.69 60.67 3kr5 s THR 488 Cb 0.07 -0.28 0.36 0.00 1.34 0.00 0.00 72.50 73.99 3kr5 s THR 488 CO 0.68 0.16 2.07 1.23 -0.54 0.00 0.00 174.62 178.22 3kr5 h GLY 489 N 7.60 0.00 1.06 3.99 0.00 -1.93 -1.74 103.07 112.05 3kr5 h GLY 489 Ca -0.34 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.06 3kr5 h GLY 489 CO 0.39 0.00 0.40 0.00 0.00 0.00 0.00 176.54 177.33 3kr5 h ALA 490 N 1.75 1.82 -0.60 3.60 0.00 -1.96 -1.43 119.26 122.44 3kr5 h ALA 490 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kr5 h ALA 490 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3kr5 h ALA 490 CO -0.00 -0.53 0.40 0.52 0.00 0.00 0.00 179.25 179.64 3kr5 h MET 491 N 0.00 0.68 -0.09 0.00 2.86 -1.70 0.56 114.93 117.24 3kr5 h MET 491 Ca 0.12 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kr5 h MET 491 Cb 0.92 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3kr5 h MET 491 CO -0.00 0.45 0.06 -0.07 1.06 0.00 0.00 176.91 178.41 3kr5 h LEU 492 N 0.70 0.07 0.00 1.22 3.38 -1.47 0.12 115.31 119.32 3kr5 h LEU 492 Ca 0.24 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 3kr5 h LEU 492 Cb 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kr5 h LEU 492 CO -0.07 0.05 -1.09 1.88 0.09 0.00 0.00 178.44 179.31 3kr5 h TYR 493 N 0.08 0.00 0.00 1.13 -1.99 -0.14 -3.25 116.97 112.81 3kr5 h TYR 493 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kr5 h TYR 493 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 3kr5 h TYR 493 CO -0.00 0.43 -0.08 -1.13 -0.00 0.00 0.00 178.16 177.38 3kr5 n SER 494 N -2.93 0.27 -0.00 3.88 3.41 0.20 -4.75 113.62 113.69 3kr5 n SER 494 Ca -0.05 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 3kr5 n SER 494 Cb 0.75 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 3kr5 n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kr5 n LEU 495 N -2.62 0.46 0.00 1.04 4.77 0.21 -5.08 117.00 115.77 3kr5 n LEU 495 Ca -0.01 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3kr5 n LEU 495 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3kr5 n LEU 495 CO 0.02 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kr5 n GLY 496 N 1.43 -0.61 0.38 -0.72 0.00 -0.06 -4.19 105.19 101.43 3kr5 n GLY 496 Ca 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.12 2.61 -2.24 -1.26 -4.24 114.28 109.03 3kr5 n THR 497 Ca 0.00 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3kr5 n THR 497 Cb 0.00 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.32 2.06 -4.36 3.42 7.64 -1.26 -4.32 113.62 116.48 3kr5 n SER 498 Ca 0.10 -0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 3kr5 n SER 498 Cb 0.42 -0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.49 2.80 0.61 1.43 4.12 -1.26 -4.49 117.35 118.07 3kr5 s TYR 499 Ca -0.34 -0.67 -0.12 0.00 0.02 0.00 0.00 57.07 55.96 3kr5 s TYR 499 Cb 0.09 -1.84 -0.04 0.00 -1.52 0.00 0.00 41.96 38.65 3kr5 s TYR 499 CO 0.56 -0.23 1.02 0.00 0.02 0.00 0.00 175.55 176.92 3kr5 s ALA 500 N 0.38 3.05 -0.08 3.71 0.00 -0.28 -4.62 121.76 123.91 3kr5 s ALA 500 Ca -0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 3kr5 s ALA 500 Cb -0.16 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3kr5 s ALA 500 CO 0.06 -0.65 0.29 0.20 0.00 0.00 0.00 175.76 175.65 3kr5 s GLY 501 N -3.92 2.30 -0.11 0.00 0.00 -0.96 0.10 107.32 104.72 3kr5 s GLY 501 Ca 0.56 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.88 3kr5 s GLY 501 CO 0.50 0.04 -0.20 0.54 0.00 0.00 0.00 173.10 173.98 3kr5 s VAL 502 N -0.65 2.45 0.25 1.40 0.11 0.51 -0.10 120.40 124.37 3kr5 s VAL 502 Ca 0.19 -0.88 0.11 0.00 -2.93 0.00 0.00 61.98 58.46 3kr5 s VAL 502 Cb -0.14 -1.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 3kr5 s VAL 502 CO 0.08 0.55 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.84 3kr5 s PHE 503 N 0.30 2.13 0.07 1.54 0.08 0.04 0.02 117.98 122.15 3kr5 s PHE 503 Ca -0.15 -0.40 -0.27 0.00 0.12 0.00 0.00 56.93 56.24 3kr5 s PHE 503 Cb -0.17 -0.95 0.09 0.00 -0.57 0.00 0.00 43.02 41.42 3kr5 s PHE 503 CO 0.07 0.59 1.16 0.20 -0.10 0.00 0.00 175.22 177.14 3kr5 s GLY 504 N -3.33 -0.21 0.00 4.36 0.00 -1.26 0.34 107.32 107.21 3kr5 s GLY 504 Ca 0.26 0.23 0.18 0.00 0.00 0.00 0.00 44.72 45.39 3kr5 s GLY 504 CO 0.12 1.50 1.30 1.16 0.00 0.00 0.00 173.10 177.18 3kr5 n ASN 505 N -0.74 3.17 -3.68 1.64 0.23 0.07 -4.78 115.26 111.17 3kr5 n ASN 505 Ca -0.05 -1.92 -0.14 0.00 -0.53 0.00 0.00 54.58 51.94 3kr5 n ASN 505 Cb 0.61 -0.25 -0.14 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.18 0.30 0.10 0.53 3.84 -1.26 -4.85 114.94 112.42 3kr5 s ASN 506 Ca 0.32 0.50 -0.16 0.00 0.21 0.00 0.00 52.86 53.72 3kr5 s ASN 506 Cb 0.18 0.51 -0.06 0.00 -0.55 0.00 0.00 41.25 41.33 3kr5 s ASN 506 CO 0.25 -0.22 1.51 -0.33 -2.79 0.00 0.00 177.10 175.52 3kr5 h GLU 507 N 8.03 0.58 -0.53 0.43 5.08 -1.96 -1.30 114.58 124.91 3kr5 h GLU 507 Ca -0.21 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 3kr5 h GLU 507 Cb 1.12 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 3kr5 h GLU 507 CO 0.20 0.75 0.28 0.93 -1.00 0.00 0.00 179.01 180.17 3kr5 h GLU 508 N 0.36 0.53 -0.41 2.33 5.08 -1.99 0.12 114.58 120.60 3kr5 h GLU 508 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kr5 h GLU 508 Cb 0.52 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kr5 h GLU 508 CO 0.03 0.35 0.20 1.25 -1.00 0.00 0.00 179.01 179.84 3kr5 h LEU 509 N 0.55 0.52 -0.45 1.33 5.85 -1.95 -1.22 115.31 119.95 3kr5 h LEU 509 Ca 0.23 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kr5 h LEU 509 Cb 0.12 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3kr5 h LEU 509 CO -0.15 0.49 0.29 0.40 -0.34 0.00 0.00 178.44 179.13 3kr5 h ILE 510 N 0.52 1.10 -0.82 4.05 2.04 -0.78 -1.04 117.51 122.58 3kr5 h ILE 510 Ca 0.14 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3kr5 h ILE 510 Cb 0.10 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3kr5 h ILE 510 CO -0.02 0.11 0.54 0.78 0.00 0.00 0.00 178.15 179.56 3kr5 h ASN 511 N 0.59 0.89 -0.43 1.72 2.35 -0.51 0.14 115.58 120.32 3kr5 h ASN 511 Ca 0.17 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3kr5 h ASN 511 Cb -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3kr5 h ASN 511 CO -0.05 0.62 0.23 0.11 -1.65 0.00 0.00 177.43 176.70 3kr5 h LYS 512 N 1.04 0.61 -0.55 0.81 1.57 -0.61 0.41 116.57 119.85 3kr5 h LYS 512 Ca 0.32 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3kr5 h LYS 512 Cb -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3kr5 h LYS 512 CO -0.09 0.50 0.36 0.82 -0.57 0.00 0.00 179.45 180.48 3kr5 h ILE 513 N 0.56 1.14 -0.68 1.86 1.08 -0.54 0.14 117.51 121.08 3kr5 h ILE 513 Ca 0.15 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 3kr5 h ILE 513 Cb 0.07 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 3kr5 h ILE 513 CO -0.02 0.14 0.22 -0.07 -0.69 0.00 0.00 178.15 177.72 3kr5 h LEU 514 N 0.74 0.98 -0.60 1.44 3.38 -0.19 0.54 115.31 121.60 3kr5 h LEU 514 Ca 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kr5 h LEU 514 Cb -0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3kr5 h LEU 514 CO -0.05 0.92 0.39 -0.61 0.09 0.00 0.00 178.44 179.18 3kr5 h GLN 515 N 0.99 0.79 -0.59 1.13 5.75 0.10 -1.78 115.11 121.50 3kr5 h GLN 515 Ca 0.22 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3kr5 h GLN 515 Cb 0.29 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3kr5 h GLN 515 CO -0.01 0.53 0.29 0.77 -2.65 0.00 0.00 178.83 177.76 3kr5 h SER 516 N 0.81 0.74 -0.22 -0.69 0.02 0.41 -1.18 113.55 113.44 3kr5 h SER 516 Ca 0.22 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3kr5 h SER 516 Cb -0.08 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3kr5 h SER 516 CO -0.05 0.63 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.98 3kr5 h SER 517 N 0.83 -0.11 -0.49 3.07 0.87 0.48 0.61 113.55 118.80 3kr5 h SER 517 Ca 0.21 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3kr5 h SER 517 Cb 0.08 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3kr5 h SER 517 CO -0.03 -0.03 0.31 0.50 -0.53 0.00 0.00 176.83 177.06 3kr5 h LYS 518 N 0.05 0.66 0.00 2.24 3.64 -0.44 0.13 116.57 122.85 3kr5 h LYS 518 Ca 0.10 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3kr5 h LYS 518 Cb 0.14 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kr5 h LYS 518 CO -0.19 0.45 -0.91 1.79 -2.27 0.00 0.00 179.45 178.33 3kr5 h THR 519 N 0.66 1.27 0.00 1.00 1.35 -1.08 -3.17 112.91 112.95 3kr5 h THR 519 Ca 0.18 -2.86 -0.01 0.00 -0.55 0.00 0.00 66.41 63.18 3kr5 h THR 519 Cb -0.05 2.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3kr5 h THR 519 CO -0.04 0.72 -0.35 0.77 -0.25 0.00 0.00 175.52 176.38 3kr5 h SER 520 N 0.00 0.00 -2.61 5.36 4.64 -0.84 -3.46 113.55 116.64 3kr5 h SER 520 Ca -0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.93 3kr5 h SER 520 Cb 1.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 3kr5 h SER 520 CO 0.10 0.03 -0.46 0.59 -0.87 0.00 0.00 176.83 176.22 3kr5 n ASN 521 N -2.97 -5.18 -4.27 4.97 3.02 0.44 -4.85 115.26 106.41 3kr5 n ASN 521 Ca 0.02 -0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 3kr5 n ASN 521 Cb 0.55 -4.25 -0.09 0.00 -0.61 0.00 0.00 39.78 35.38 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 -4.93 2.63 0.17 3.52 2.02 -1.11 -5.00 118.70 116.00 3kr5 s GLU 522 Ca 0.02 -1.55 -0.31 0.00 0.02 0.00 0.00 54.97 53.14 3kr5 s GLU 522 Cb -0.01 -3.89 -0.10 0.00 0.10 0.00 0.00 34.13 30.23 3kr5 s GLU 522 CO 0.02 -1.05 1.53 -2.14 0.02 0.00 0.00 175.26 173.63 3kr5 s PRO 523 N 1.44 4.24 0.03 0.39 0.02 -1.26 -4.51 135.00 135.34 3kr5 s PRO 523 Ca 0.04 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.40 3kr5 s PRO 523 Cb -0.24 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 3kr5 s PRO 523 CO 0.02 -0.56 -0.07 0.08 -0.33 0.00 0.00 177.00 176.14 3kr5 s VAL 524 N 0.96 0.52 -0.03 3.83 1.01 -1.26 -1.13 120.40 124.31 3kr5 s VAL 524 Ca 0.68 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3kr5 s VAL 524 Cb -0.43 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 3kr5 s VAL 524 CO 0.33 -0.23 -0.12 0.86 0.00 0.00 0.00 175.10 175.94 3kr5 s TRP 525 N -1.01 1.16 -0.15 5.22 -0.11 0.11 -4.87 118.94 119.30 3kr5 s TRP 525 Ca -0.06 -0.28 -0.29 0.00 1.22 0.00 0.00 56.10 56.68 3kr5 s TRP 525 Cb -0.08 -0.79 -0.01 0.00 -1.50 0.00 0.00 33.47 31.09 3kr5 s TRP 525 CO 0.00 -0.09 1.10 -0.46 -4.62 0.00 0.00 176.95 172.88 3kr5 s TRP 526 N 0.03 3.27 0.12 5.86 -0.00 -1.26 -0.36 118.94 126.60 3kr5 s TRP 526 Ca -0.01 1.37 0.10 0.00 -0.00 0.00 0.00 56.10 57.56 3kr5 s TRP 526 Cb -0.08 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.03 3kr5 s TRP 526 CO 0.01 -0.80 -0.24 -0.51 -0.00 0.00 0.00 176.95 175.41 3kr5 s LEU 527 N 2.73 2.45 0.34 5.86 1.43 0.10 -4.90 118.68 126.70 3kr5 s LEU 527 Ca 0.50 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 3kr5 s LEU 527 Cb -0.19 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 3kr5 s LEU 527 CO 0.14 0.19 0.85 -2.16 0.23 0.00 0.00 176.35 175.60 3kr5 s PRO 528 N -2.01 4.24 -0.51 1.29 0.04 -1.26 -4.24 135.00 132.55 3kr5 s PRO 528 Ca 0.15 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 3kr5 s PRO 528 Cb -0.10 -2.49 0.08 0.00 0.04 0.00 0.00 34.50 32.03 3kr5 s PRO 528 CO 0.07 0.15 0.55 0.42 0.04 0.00 0.00 177.00 178.24 3kr5 s ILE 529 N -1.90 5.01 -0.43 0.56 1.01 -1.26 -4.80 121.20 119.38 3kr5 s ILE 529 Ca 0.54 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3kr5 s ILE 529 Cb -0.13 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.09 3kr5 s ILE 529 CO 0.18 -0.79 0.84 -0.63 0.00 0.00 0.00 174.94 174.53 3kr5 s ILE 530 N 2.23 4.61 0.30 2.92 1.01 -1.26 -4.91 121.20 126.10 3kr5 s ILE 530 Ca 0.10 0.68 0.20 0.00 0.00 0.00 0.00 60.65 61.63 3kr5 s ILE 530 Cb -0.23 -4.33 0.17 0.00 0.01 0.00 0.00 42.46 38.09 3kr5 s ILE 530 CO 0.08 -0.67 1.87 0.78 0.00 0.00 0.00 174.94 177.00 3kr5 h ASN 531 N 8.86 0.00 -1.08 3.58 2.35 -1.99 -2.34 115.58 124.96 3kr5 h ASN 531 Ca -0.24 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 55.81 3kr5 h ASN 531 Cb 1.08 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 3kr5 h ASN 531 CO 0.97 0.29 0.75 -0.08 -1.65 0.00 0.00 177.43 177.71 3kr5 h GLU 532 N 0.00 0.15 0.00 0.81 4.81 -2.04 0.60 114.58 118.91 3kr5 h GLU 532 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kr5 h GLU 532 Cb 0.65 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3kr5 h GLU 532 CO 0.04 0.10 0.00 1.88 -0.73 0.00 0.00 179.01 180.30 3kr5 h TYR 533 N 0.15 0.00 -0.83 0.92 0.99 -1.84 -3.35 116.97 113.01 3kr5 h TYR 533 Ca 0.55 0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.47 3kr5 h TYR 533 Cb 1.88 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 39.50 3kr5 h TYR 533 CO -0.00 0.00 0.32 -0.09 -0.00 0.00 0.00 178.16 178.39 3kr5 h ARG 534 N 0.00 0.38 -0.43 4.88 9.65 -1.02 -0.98 114.38 126.86 3kr5 h ARG 534 Ca 0.00 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.98 3kr5 h ARG 534 Cb 0.75 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 3kr5 h ARG 534 CO 0.00 0.25 0.32 0.00 2.80 0.00 0.00 179.97 183.34 3kr5 h ALA 535 N 1.64 2.37 0.00 2.80 0.00 -1.77 -0.46 119.26 123.84 3kr5 h ALA 535 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kr5 h ALA 535 Cb 0.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kr5 h ALA 535 CO -0.49 -0.54 0.00 0.25 0.00 0.00 0.00 179.25 178.47 3kr5 n THR 536 N -4.33 0.04 0.38 0.00 -2.24 -0.37 -1.35 114.28 106.42 3kr5 n THR 536 Ca 0.07 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 3kr5 n THR 536 Cb 0.52 -0.65 0.19 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.04 3.32 -4.55 3.22 4.77 -0.18 -4.16 117.00 118.38 3kr5 n LEU 537 Ca 0.16 -1.44 -0.39 0.00 -0.03 0.00 0.00 56.01 54.31 3kr5 n LEU 537 Cb 0.09 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3kr5 n LEU 537 CO 0.13 0.70 1.41 0.20 -1.33 0.00 0.00 177.39 178.50 3kr5 s ASN 538 N -1.50 5.67 0.45 -1.43 0.01 -0.45 0.71 114.94 118.39 3kr5 s ASN 538 Ca 0.35 -0.04 -0.23 0.00 -0.71 0.00 0.00 52.86 52.23 3kr5 s ASN 538 Cb 0.21 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.25 3kr5 s ASN 538 CO 0.30 -2.14 1.10 -0.55 -1.51 0.00 0.00 177.10 174.30 3kr5 s SER 539 N 6.16 6.38 0.25 -1.22 0.15 -1.26 -4.83 113.70 119.32 3kr5 s SER 539 Ca 0.53 2.13 0.10 0.00 0.70 0.00 0.00 55.95 59.41 3kr5 s SER 539 Cb -0.10 -2.59 0.25 0.00 -1.71 0.00 0.00 66.02 61.87 3kr5 s SER 539 CO 0.17 -0.76 1.55 0.50 1.20 0.00 0.00 173.24 175.91 3kr5 h LYS 540 N 2.06 0.00 0.00 5.44 1.63 -1.96 -3.39 116.57 120.35 3kr5 h LYS 540 Ca -0.49 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.12 3kr5 h LYS 540 Cb 1.23 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3kr5 h LYS 540 CO 0.60 0.69 -1.66 0.66 -3.45 0.00 0.00 179.45 176.29 3kr5 n TYR 541 N -3.72 0.00 -2.43 1.91 4.01 -1.26 -5.05 117.16 110.62 3kr5 n TYR 541 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 3kr5 n TYR 541 Cb 0.67 -0.43 0.10 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.22 3.42 0.31 -0.72 0.00 -1.26 -4.98 121.76 116.31 3kr5 s ALA 542 Ca -0.16 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.42 3kr5 s ALA 542 Cb 0.05 -2.24 0.52 0.00 0.00 0.00 0.00 23.12 21.46 3kr5 s ALA 542 CO 0.23 -1.46 1.75 -0.44 0.00 0.00 0.00 175.76 175.84 3kr5 h ASP 543 N -0.61 0.30 -4.59 0.00 3.32 -1.49 -3.38 116.42 109.96 3kr5 h ASP 543 Ca -0.40 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3kr5 h ASP 543 Cb 1.28 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 3kr5 h ASP 543 CO 0.45 0.60 -0.02 -0.51 -1.72 0.00 0.00 179.24 178.05 3kr5 s ILE 544 N -4.36 0.01 0.19 0.35 2.07 -0.72 -4.43 121.20 114.32 3kr5 s ILE 544 Ca -0.05 -0.12 -0.25 0.00 -1.41 0.00 0.00 60.65 58.82 3kr5 s ILE 544 Cb 0.14 -0.82 -0.08 0.00 0.13 0.00 0.00 42.46 41.82 3kr5 s ILE 544 CO 0.77 -0.07 0.79 0.20 -1.91 0.00 0.00 174.94 174.73 3kr5 s ASN 545 N -0.66 7.35 0.12 4.50 0.01 0.22 -0.54 114.94 125.94 3kr5 s ASN 545 Ca -0.07 1.65 -0.13 0.00 -0.71 0.00 0.00 52.86 53.59 3kr5 s ASN 545 Cb -0.03 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3kr5 s ASN 545 CO 0.05 0.15 1.48 -0.61 -1.51 0.00 0.00 177.10 176.67 3kr5 h GLN 546 N 4.06 0.79 -6.03 -0.60 4.15 -1.53 -3.46 115.11 112.50 3kr5 h GLN 546 Ca -0.47 -0.36 -0.54 0.00 0.77 0.00 0.00 58.65 58.05 3kr5 h GLN 546 Cb 1.20 -0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.70 3kr5 h GLN 546 CO 0.66 0.99 -0.79 0.96 -1.93 0.00 0.00 178.83 178.72 3kr5 s ILE 547 N -4.56 1.86 0.50 2.39 -4.36 -1.26 -4.88 121.20 110.89 3kr5 s ILE 547 Ca -0.12 -1.89 -0.21 0.00 -0.26 0.00 0.00 60.65 58.17 3kr5 s ILE 547 Cb 0.10 -1.84 -0.07 0.00 1.25 0.00 0.00 42.46 41.90 3kr5 s ILE 547 CO 0.84 -0.27 1.12 -0.55 0.24 0.00 0.00 174.94 176.32 3kr5 s SER 548 N -2.59 5.99 -0.16 4.36 0.15 -1.26 -4.78 113.70 115.40 3kr5 s SER 548 Ca 0.15 2.17 -0.17 0.00 0.70 0.00 0.00 55.95 58.80 3kr5 s SER 548 Cb -0.06 -2.58 -0.23 0.00 -1.71 0.00 0.00 66.02 61.44 3kr5 s SER 548 CO 0.07 -1.04 0.34 0.77 1.20 0.00 0.00 173.24 174.58 3kr5 h SER 549 N 1.55 0.17 0.00 5.45 4.64 -2.01 -3.43 113.55 119.92 3kr5 h SER 549 Ca -0.50 -0.70 -0.02 0.00 -0.47 0.00 0.00 61.79 60.10 3kr5 h SER 549 Cb 1.25 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kr5 h SER 549 CO 0.58 1.58 -0.29 0.77 -0.87 0.00 0.00 176.83 178.61 3kr5 h SER 550 N -0.62 0.00 -2.62 4.97 4.64 -1.94 -3.47 113.55 114.51 3kr5 h SER 550 Ca -0.34 -0.20 -0.55 0.00 -0.47 0.00 0.00 61.79 60.23 3kr5 h SER 550 Cb 1.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 3kr5 h SER 550 CO -0.08 0.75 1.08 -0.69 -0.87 0.00 0.00 176.83 177.03 3kr5 s VAL 551 N -1.94 3.61 -1.33 0.95 1.01 -1.26 -4.90 120.40 116.54 3kr5 s VAL 551 Ca -0.10 0.73 0.27 0.00 0.00 0.00 0.00 61.98 62.88 3kr5 s VAL 551 Cb 0.01 -3.48 0.21 0.00 0.00 0.00 0.00 36.38 33.12 3kr5 s VAL 551 CO 0.23 -0.07 1.64 0.29 0.00 0.00 0.00 175.10 177.19 3kr5 n LYS 552 N 7.12 0.36 -1.15 2.72 5.02 -1.26 -4.46 118.16 126.50 3kr5 n LYS 552 Ca 0.17 -0.17 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3kr5 n LYS 552 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 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 5.16 0.22 7.82 0.00 -1.26 -4.75 120.51 126.53 3kr5 n ALA 553 Ca 0.09 -3.00 0.09 0.00 0.00 0.00 0.00 53.44 50.62 3kr5 n ALA 553 Cb 0.32 -3.34 0.49 0.00 0.00 0.00 0.00 19.45 16.92 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 6.35 0.00 -0.30 0.00 4.64 -1.98 -0.30 113.55 121.96 3kr5 h SER 554 Ca 0.58 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.80 3kr5 h SER 554 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3kr5 h SER 554 CO 1.73 0.26 -0.15 0.28 -0.87 0.00 0.00 176.83 178.08 3kr5 h SER 555 N 0.00 0.73 -0.00 4.97 0.02 -1.94 0.38 113.55 117.72 3kr5 h SER 555 Ca -0.00 -0.23 -0.25 0.00 -0.84 0.00 0.00 61.79 60.47 3kr5 h SER 555 Cb 0.66 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.02 3kr5 h SER 555 CO 0.03 0.89 -0.94 0.40 -1.14 0.00 0.00 176.83 176.07 3kr5 h ILE 556 N 0.66 1.29 -0.18 3.27 2.04 -1.43 -2.32 117.51 120.85 3kr5 h ILE 556 Ca 0.11 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 3kr5 h ILE 556 Cb 0.62 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3kr5 h ILE 556 CO 0.04 0.68 0.03 0.58 0.00 0.00 0.00 178.15 179.48 3kr5 h VAL 557 N 0.42 1.22 -0.84 1.67 2.07 -0.95 0.30 116.25 120.14 3kr5 h VAL 557 Ca -0.10 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.83 3kr5 h VAL 557 Cb 1.59 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 3kr5 h VAL 557 CO 0.19 0.22 0.46 0.00 0.02 0.00 0.00 177.57 178.45 3kr5 h ALA 558 N 0.83 1.23 -0.55 1.67 0.00 -0.29 0.21 119.26 122.37 3kr5 h ALA 558 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kr5 h ALA 558 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kr5 h ALA 558 CO 0.00 0.01 0.26 0.77 0.00 0.00 0.00 179.25 180.29 3kr5 h SER 559 N 0.71 0.72 -0.46 0.00 0.02 -1.00 0.69 113.55 114.24 3kr5 h SER 559 Ca 0.43 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3kr5 h SER 559 Cb 0.51 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3kr5 h SER 559 CO -0.30 0.66 0.31 -0.07 -1.14 0.00 0.00 176.83 176.28 3kr5 h LEU 560 N 0.74 0.53 0.09 5.07 3.38 -0.18 0.18 115.31 125.12 3kr5 h LEU 560 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kr5 h LEU 560 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kr5 h LEU 560 CO -0.02 0.39 -0.09 0.15 0.09 0.00 0.00 178.44 178.96 3kr5 h PHE 561 N 0.63 -0.22 -0.91 1.13 3.04 -0.66 -2.60 116.94 117.35 3kr5 h PHE 561 Ca 0.17 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.19 3kr5 h PHE 561 Cb -0.07 0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.46 3kr5 h PHE 561 CO -0.04 -0.14 0.56 -0.07 -2.02 0.00 0.00 178.31 176.60 3kr5 h LEU 562 N -0.20 0.88 -2.01 0.59 3.38 -0.54 -1.90 115.31 115.51 3kr5 h LEU 562 Ca 0.00 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3kr5 h LEU 562 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kr5 h LEU 562 CO -0.02 0.54 0.34 0.50 0.09 0.00 0.00 178.44 179.89 3kr5 h LYS 563 N 1.00 0.00 0.00 1.13 3.64 -0.57 0.32 116.57 122.09 3kr5 h LYS 563 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3kr5 h LYS 563 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kr5 h LYS 563 CO -0.19 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.38 3kr5 n GLU 564 N -4.35 0.03 -0.12 1.90 -0.58 -0.71 -2.19 120.64 114.62 3kr5 n GLU 564 Ca 0.08 0.26 0.05 0.00 -0.42 0.00 0.00 57.16 57.14 3kr5 n GLU 564 Cb 0.54 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.46 0.30 -4.05 -0.32 3.01 0.11 -4.80 117.46 110.26 3kr5 n PHE 565 Ca 0.04 -0.35 -0.32 0.00 1.01 0.00 0.00 57.45 57.83 3kr5 n PHE 565 Cb 0.14 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.96 2.21 0.02 -4.37 1.01 -0.93 -3.71 120.40 113.67 3kr5 s VAL 566 Ca 0.19 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3kr5 s VAL 566 Cb 0.11 -2.45 -0.25 0.00 0.00 0.00 0.00 36.38 33.78 3kr5 s VAL 566 CO 0.14 -0.28 1.10 1.56 0.00 0.00 0.00 175.10 177.63 3kr5 h GLN 567 N 7.70 0.51 0.00 2.72 7.50 -1.87 -3.43 115.11 128.24 3kr5 h GLN 567 Ca -0.13 -0.59 -0.08 0.00 0.50 0.00 0.00 58.65 58.36 3kr5 h GLN 567 Cb 1.03 0.18 -0.11 0.00 0.05 0.00 0.00 27.48 28.63 3kr5 h GLN 567 CO 0.49 1.22 -0.34 -1.71 -1.50 0.00 0.00 178.83 176.99 3kr5 n ASN 568 N -4.06 -0.23 -4.24 1.46 5.15 -1.26 -5.10 115.26 106.98 3kr5 n ASN 568 Ca -0.11 -1.67 -0.26 0.00 -0.60 0.00 0.00 54.58 51.94 3kr5 n ASN 568 Cb 0.79 0.04 -0.15 0.00 -0.53 0.00 0.00 39.78 39.94 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 1.63 0.14 -0.44 2.01 -1.26 -5.09 115.64 112.63 3kr5 s THR 569 Ca 0.05 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 60.65 3kr5 s THR 569 Cb 0.06 -1.40 -0.11 0.00 0.01 0.00 0.00 72.50 71.06 3kr5 s THR 569 CO -0.03 0.28 1.79 0.00 -0.69 0.00 0.00 174.62 175.97 3kr5 s ALA 570 N -0.70 3.80 -0.01 7.40 0.00 -1.25 -4.88 121.76 126.12 3kr5 s ALA 570 Ca 0.07 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3kr5 s ALA 570 Cb -0.08 -3.74 0.02 0.00 0.00 0.00 0.00 23.12 19.31 3kr5 s ALA 570 CO 0.01 -1.13 0.01 -0.46 0.00 0.00 0.00 175.76 174.19 3kr5 s TRP 571 N 2.30 0.11 0.14 0.00 -0.00 -1.26 -1.50 118.94 118.74 3kr5 s TRP 571 Ca 0.79 0.05 0.08 0.00 -0.00 0.00 0.00 56.10 57.02 3kr5 s TRP 571 Cb -0.47 -0.21 -0.04 0.00 -0.00 0.00 0.00 33.47 32.76 3kr5 s TRP 571 CO 0.35 -0.06 -0.19 0.00 -0.00 0.00 0.00 176.95 177.05 3kr5 s ALA 572 N 0.65 1.91 -0.08 5.86 0.00 -0.18 -0.75 121.76 129.17 3kr5 s ALA 572 Ca -0.06 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.49 3kr5 s ALA 572 Cb -0.08 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3kr5 s ALA 572 CO -0.02 0.26 -0.03 -1.58 0.00 0.00 0.00 175.76 174.40 3kr5 s HIS 573 N -1.79 0.91 -0.30 0.00 5.04 0.15 -1.27 115.29 118.03 3kr5 s HIS 573 Ca 0.12 -0.33 -0.07 0.00 -1.54 0.00 0.00 55.06 53.25 3kr5 s HIS 573 Cb -0.07 -0.89 0.01 0.00 0.04 0.00 0.00 32.58 31.67 3kr5 s HIS 573 CO 0.06 -0.34 0.09 0.42 -2.34 0.00 0.00 174.74 172.62 3kr5 s ILE 574 N 1.64 4.02 -0.51 0.89 1.01 0.84 -0.78 121.20 128.30 3kr5 s ILE 574 Ca 0.01 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 3kr5 s ILE 574 Cb -0.13 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.33 3kr5 s ILE 574 CO -0.05 0.08 0.63 -0.62 0.00 0.00 0.00 174.94 174.98 3kr5 s ASP 575 N 1.51 6.22 -0.14 3.58 -1.08 0.86 -0.84 116.67 126.78 3kr5 s ASP 575 Ca 0.03 -0.95 0.16 0.00 -0.52 0.00 0.00 52.55 51.27 3kr5 s ASP 575 Cb -0.17 -2.29 0.64 0.00 -1.46 0.00 0.00 42.92 39.64 3kr5 s ASP 575 CO 0.03 -0.91 1.55 2.30 0.52 0.00 0.00 175.17 178.66 3kr5 n ILE 576 N 5.61 2.05 -0.36 4.11 -5.35 0.52 -2.27 119.36 123.67 3kr5 n ILE 576 Ca -0.07 -1.40 0.06 0.00 -0.27 0.00 0.00 62.75 61.07 3kr5 n ILE 576 Cb 0.45 -0.01 0.23 0.00 -1.74 0.00 0.00 39.64 38.56 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 3.18 1.49 0.00 -1.28 0.00 -1.83 0.67 119.26 121.49 3kr5 h ALA 577 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kr5 h ALA 577 Cb 1.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kr5 h ALA 577 CO 0.25 0.27 -0.40 0.78 0.00 0.00 0.00 179.25 180.16 3kr5 h GLY 578 N 1.03 0.00 0.00 0.00 0.00 -1.80 -3.38 103.07 98.92 3kr5 h GLY 578 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3kr5 h GLY 578 CO -0.25 0.00 -1.32 1.55 0.00 0.00 0.00 176.54 176.52 3kr5 n VAL 579 N -3.21 0.00 -0.13 4.60 3.14 -0.81 -4.07 118.33 117.84 3kr5 n VAL 579 Ca 0.02 -0.22 -0.11 0.00 -2.96 0.00 0.00 64.34 61.07 3kr5 n VAL 579 Cb 0.68 0.36 -0.02 0.00 -1.06 0.00 0.00 33.84 33.80 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 0.76 -3.31 6.55 0.87 -1.06 -3.42 113.55 113.94 3kr5 h SER 580 Ca 0.00 -0.38 -0.59 0.00 -1.23 0.00 0.00 61.79 59.59 3kr5 h SER 580 Cb 0.41 -0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.06 3kr5 h SER 580 CO 0.00 0.97 -0.31 0.86 -0.53 0.00 0.00 176.83 177.81 3kr5 s TRP 581 N -4.73 3.46 -0.89 2.24 -0.11 -1.26 -0.92 118.94 116.72 3kr5 s TRP 581 Ca -0.12 0.60 -0.21 0.00 1.22 0.00 0.00 56.10 57.58 3kr5 s TRP 581 Cb 0.10 -2.36 0.09 0.00 -1.50 0.00 0.00 33.47 29.80 3kr5 s TRP 581 CO 0.82 0.22 1.21 1.21 -4.62 0.00 0.00 176.95 175.78 3kr5 s ASN 582 N 0.52 6.46 0.20 5.86 3.84 -0.09 -4.89 114.94 126.83 3kr5 s ASN 582 Ca 0.17 -1.53 -0.11 0.00 0.21 0.00 0.00 52.86 51.61 3kr5 s ASN 582 Cb -0.13 -2.47 0.13 0.00 -0.55 0.00 0.00 41.25 38.23 3kr5 s ASN 582 CO 0.04 -1.34 1.82 -0.26 -2.79 0.00 0.00 177.10 174.57 3kr5 h PHE 583 N 9.37 0.97 -0.31 0.43 -1.00 -1.96 0.83 116.94 125.27 3kr5 h PHE 583 Ca 0.05 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 3kr5 h PHE 583 Cb 1.03 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 3kr5 h PHE 583 CO 1.16 0.68 0.17 -0.22 -1.61 0.00 0.00 178.31 178.49 3kr5 h LYS 584 N 0.97 0.43 -0.00 1.51 3.64 -1.95 -2.85 116.57 118.31 3kr5 h LYS 584 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kr5 h LYS 584 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3kr5 h LYS 584 CO -0.04 0.36 -0.10 0.00 -2.27 0.00 0.00 179.45 177.40 3kr5 n ALA 585 N -2.22 2.69 -3.64 5.00 0.00 -1.02 -4.94 120.51 116.38 3kr5 n ALA 585 Ca -0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 3kr5 n ALA 585 Cb 0.08 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.18 -7.06 -3.65 0.00 1.74 0.26 -5.00 116.66 101.76 3kr5 n ARG 586 Ca 0.12 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.87 3kr5 n ARG 586 Cb 0.28 -5.76 -0.05 0.00 -1.02 0.00 0.00 32.46 25.91 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 -6.17 1.03 0.85 5.56 -2.85 -1.03 -5.03 119.74 112.10 3kr5 s LYS 587 Ca 0.45 -0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 54.66 3kr5 s LYS 587 Cb -0.21 0.45 0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3kr5 s LYS 587 CO 0.75 -0.39 1.10 -2.14 0.10 0.00 0.00 175.35 174.78 3kr5 s PRO 588 N -3.56 1.62 0.01 1.78 0.02 -1.26 -0.91 135.00 132.69 3kr5 s PRO 588 Ca 0.01 1.19 0.22 0.00 0.02 0.00 0.00 61.00 62.44 3kr5 s PRO 588 Cb 0.01 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.56 3kr5 s PRO 588 CO -0.10 -2.10 0.83 1.63 -0.33 0.00 0.00 177.00 176.93 3kr5 n LYS 589 N -3.83 0.30 -2.72 5.54 5.02 -0.10 -4.67 118.16 117.70 3kr5 n LYS 589 Ca 0.09 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 3kr5 n LYS 589 Cb 0.53 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.38 -0.33 3.74 0.72 0.00 -1.26 -4.89 105.19 104.55 3kr5 n GLY 590 Ca 0.01 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.01 2.97 0.00 1.61 5.36 -1.26 -3.25 117.98 120.40 3kr5 s PHE 591 Ca 0.18 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 3kr5 s PHE 591 Cb -0.08 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3kr5 s PHE 591 CO 0.22 -2.88 0.00 0.41 -1.46 0.00 0.00 175.22 171.51 3kr5 n GLY 592 N 2.29 2.92 0.05 13.12 0.00 -1.26 -4.67 105.19 117.65 3kr5 n GLY 592 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 1.01 -0.31 1.61 2.07 -1.76 0.13 116.25 119.00 3kr5 h VAL 593 Ca 0.00 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kr5 h VAL 593 Cb 0.00 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3kr5 h VAL 593 CO 0.00 0.01 -0.07 0.03 0.02 0.00 0.00 177.57 177.56 3kr5 h ARG 594 N 0.04 0.59 -0.27 1.57 3.08 -1.90 -0.87 114.38 116.62 3kr5 h ARG 594 Ca 0.01 -0.22 0.07 0.00 0.07 0.00 0.00 59.98 59.90 3kr5 h ARG 594 Cb -0.00 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 3kr5 h ARG 594 CO -0.00 0.78 -0.26 1.25 -1.07 0.00 0.00 179.97 180.66 3kr5 h LEU 595 N 0.36 -0.83 -0.71 3.04 5.85 -1.79 0.56 115.31 121.79 3kr5 h LEU 595 Ca 0.08 0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 3kr5 h LEU 595 Cb 0.56 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3kr5 h LEU 595 CO 0.03 -0.29 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.55 3kr5 h LEU 596 N -0.25 0.77 -0.28 2.25 3.38 -0.63 -0.53 115.31 120.02 3kr5 h LEU 596 Ca 0.15 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3kr5 h LEU 596 Cb 0.48 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kr5 h LEU 596 CO -0.42 0.97 -0.14 0.74 0.09 0.00 0.00 178.44 179.68 3kr5 h THR 597 N 0.66 1.30 -0.64 0.22 2.02 -0.60 -0.45 112.91 115.42 3kr5 h THR 597 Ca 0.09 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.07 3kr5 h THR 597 Cb 0.72 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 3kr5 h THR 597 CO 0.06 0.39 0.40 -0.33 0.37 0.00 0.00 175.52 176.41 3kr5 h GLU 598 N 0.34 0.77 -0.05 6.66 4.39 0.23 0.30 114.58 127.22 3kr5 h GLU 598 Ca 0.06 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.76 3kr5 h GLU 598 Cb 0.65 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 3kr5 h GLU 598 CO 0.04 0.51 -0.32 0.35 -1.16 0.00 0.00 179.01 178.43 3kr5 h PHE 599 N 0.79 -0.88 -0.24 4.33 3.57 -0.87 0.22 116.94 123.86 3kr5 h PHE 599 Ca 0.25 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3kr5 h PHE 599 Cb 0.00 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3kr5 h PHE 599 CO -0.05 -0.41 0.03 0.28 -2.23 0.00 0.00 178.31 175.94 3kr5 h VAL 600 N -0.44 0.86 -0.33 1.41 2.07 -0.77 -3.22 116.25 115.83 3kr5 h VAL 600 Ca 0.07 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 3kr5 h VAL 600 Cb 0.55 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3kr5 h VAL 600 CO -0.30 0.02 -0.35 -0.07 0.02 0.00 0.00 177.57 176.89 3kr5 h LEU 601 N 0.11 0.79 -0.37 2.57 4.07 0.04 -2.99 115.31 119.53 3kr5 h LEU 601 Ca 0.11 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3kr5 h LEU 601 Cb 0.12 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3kr5 h LEU 601 CO -0.16 1.07 0.00 0.59 -1.08 0.00 0.00 178.44 178.85 3kr5 n ASN 602 N -4.06 0.55 -0.75 -0.43 4.13 0.75 -5.04 115.26 110.41 3kr5 n ASN 602 Ca -0.01 -1.80 0.09 0.00 1.68 0.00 0.00 54.58 54.54 3kr5 n ASN 602 Cb 0.51 -0.06 0.08 0.00 -1.54 0.00 0.00 39.78 38.77 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87