#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 6.95 -0.21 0.00 0.01 -1.26 -5.01 113.70 114.18 3kr5 s SER 86 Ca 0.00 1.56 -0.29 0.00 1.31 0.00 0.00 55.95 58.54 3kr5 s SER 86 Cb 0.00 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3kr5 s SER 86 CO 0.00 -0.24 1.79 -1.83 0.41 0.00 0.00 173.24 173.37 3kr5 s GLU 87 N -2.86 3.64 0.20 12.44 1.03 -1.26 -4.96 118.70 126.93 3kr5 s GLU 87 Ca 0.56 1.79 -0.30 0.00 0.03 0.00 0.00 54.97 57.05 3kr5 s GLU 87 Cb -0.11 -4.13 -0.08 0.00 -0.80 0.00 0.00 34.13 29.00 3kr5 s GLU 87 CO 0.16 -1.49 1.23 0.14 -1.33 0.00 0.00 175.26 173.97 3kr5 s VAL 88 N 5.93 3.42 0.50 1.83 -7.23 -1.26 -5.03 120.40 118.56 3kr5 s VAL 88 Ca 0.80 1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 62.04 3kr5 s VAL 88 Cb -0.28 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 32.82 3kr5 s VAL 88 CO 0.32 0.20 0.94 -2.16 -0.31 0.00 0.00 175.10 174.10 3kr5 s PRO 89 N -0.37 3.86 0.06 4.82 0.04 -1.26 -4.97 135.00 137.18 3kr5 s PRO 89 Ca 0.53 0.81 0.02 0.00 0.04 0.00 0.00 61.00 62.41 3kr5 s PRO 89 Cb -0.34 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3kr5 s PRO 89 CO 0.38 -0.26 -0.08 -0.65 0.04 0.00 0.00 177.00 176.44 3kr5 s GLN 90 N -4.18 0.64 -0.14 4.56 -0.21 -1.26 -5.01 119.66 114.06 3kr5 s GLN 90 Ca 0.57 -0.95 -0.15 0.00 0.02 0.00 0.00 55.36 54.84 3kr5 s GLN 90 Cb -0.10 -0.28 -0.25 0.00 1.00 0.00 0.00 33.01 33.39 3kr5 s GLN 90 CO 0.34 0.03 0.41 0.28 -2.12 0.00 0.00 175.29 174.23 3kr5 h VAL 91 N 3.99 0.89 -2.08 1.09 2.07 -1.98 -3.48 116.25 116.75 3kr5 h VAL 91 Ca -0.36 -2.32 -0.60 0.00 0.82 0.00 0.00 66.70 64.25 3kr5 h VAL 91 Cb 1.19 2.52 -0.12 0.00 -1.52 0.00 0.00 31.29 33.36 3kr5 h VAL 91 CO 0.49 0.65 -0.69 0.68 0.02 0.00 0.00 177.57 178.71 3kr5 s VAL 92 N -2.46 2.59 0.07 2.57 -7.23 -1.26 -5.02 120.40 109.67 3kr5 s VAL 92 Ca -0.23 -2.19 0.29 0.00 -1.81 0.00 0.00 61.98 58.04 3kr5 s VAL 92 Cb 0.05 -2.58 0.33 0.00 0.56 0.00 0.00 36.38 34.74 3kr5 s VAL 92 CO 0.72 -0.30 1.90 0.77 -0.31 0.00 0.00 175.10 177.87 3kr5 h SER 93 N 2.05 0.00 0.72 4.85 4.64 -2.03 -1.52 113.55 122.25 3kr5 h SER 93 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 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 0.64 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.87 3kr5 n LEU 94 N -3.21 0.15 -4.73 5.97 4.77 -1.26 -4.84 117.00 113.85 3kr5 n LEU 94 Ca 0.01 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 3kr5 n LEU 94 Cb 0.37 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3kr5 n LEU 94 CO 0.30 -0.23 1.18 -1.81 -1.33 0.00 0.00 177.39 175.51 3kr5 s ASP 95 N -3.28 6.58 0.74 -1.43 1.01 -0.58 -4.99 116.67 114.73 3kr5 s ASP 95 Ca 0.09 2.69 -0.13 0.00 0.71 0.00 0.00 52.55 55.90 3kr5 s ASP 95 Cb 0.12 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.49 3kr5 s ASP 95 CO 0.37 -0.79 1.14 -2.16 0.21 0.00 0.00 175.17 173.94 3kr5 s PRO 96 N 0.30 2.22 0.00 8.23 0.04 -1.26 -4.94 135.00 139.58 3kr5 s PRO 96 Ca 0.65 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3kr5 s PRO 96 Cb -0.44 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3kr5 s PRO 96 CO 0.38 -1.72 0.51 0.25 0.04 0.00 0.00 177.00 176.47 3kr5 n THR 97 N -3.03 0.22 -3.57 1.26 -2.24 -1.26 -4.88 114.28 100.77 3kr5 n THR 97 Ca 0.11 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3kr5 n THR 97 Cb 0.52 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 3kr5 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 98 N -0.22 -0.46 -0.06 3.42 1.04 -1.26 -4.68 113.70 111.48 3kr5 s SER 98 Ca 0.00 -0.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.94 3kr5 s SER 98 Cb 0.00 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3kr5 s SER 98 CO 0.00 -1.09 0.92 -0.63 0.98 0.00 0.00 173.24 173.42 3kr5 s ILE 99 N -3.80 4.88 0.10 -1.02 1.01 -1.26 -4.88 121.20 116.23 3kr5 s ILE 99 Ca 0.04 1.89 -0.31 0.00 0.00 0.00 0.00 60.65 62.28 3kr5 s ILE 99 Cb -0.03 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 3kr5 s ILE 99 CO -0.06 0.12 1.35 -2.16 0.00 0.00 0.00 174.94 174.18 3kr5 s PRO 100 N 1.37 4.34 -0.06 2.79 0.04 -1.26 -5.03 135.00 137.20 3kr5 s PRO 100 Ca 0.47 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.55 3kr5 s PRO 100 Cb -0.19 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 3kr5 s PRO 100 CO 0.22 -0.40 -0.18 0.42 0.04 0.00 0.00 177.00 177.09 3kr5 s ILE 101 N 1.17 1.52 -0.17 0.56 -1.09 -1.26 -4.96 121.20 116.97 3kr5 s ILE 101 Ca 0.63 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 58.20 3kr5 s ILE 101 Cb -0.35 -1.31 -0.05 0.00 -1.58 0.00 0.00 42.46 39.17 3kr5 s ILE 101 CO 0.30 0.44 0.19 -1.61 -1.23 0.00 0.00 174.94 173.03 3kr5 s GLU 102 N 0.19 4.10 -0.08 2.79 2.02 -1.26 -4.98 118.70 121.48 3kr5 s GLU 102 Ca -0.08 -0.08 -0.08 0.00 0.02 0.00 0.00 54.97 54.74 3kr5 s GLU 102 Cb -0.13 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 3kr5 s GLU 102 CO 0.04 0.36 -0.18 0.66 0.02 0.00 0.00 175.26 176.16 3kr5 n TYR 103 N 3.27 0.00 -2.46 1.61 4.02 -1.26 -4.82 117.16 117.51 3kr5 n TYR 103 Ca -0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 3kr5 n TYR 103 Cb 0.52 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 3kr5 n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kr5 s ASN 104 N -6.07 6.26 0.32 7.72 0.01 -1.26 -4.98 114.94 116.93 3kr5 s ASN 104 Ca -0.17 0.22 0.06 0.00 -0.71 0.00 0.00 52.86 52.27 3kr5 s ASN 104 Cb 0.04 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 3kr5 s ASN 104 CO 0.23 -1.62 0.44 0.42 -1.51 0.00 0.00 177.10 175.06 3kr5 s THR 105 N 5.62 4.25 0.28 1.60 -4.23 -1.26 -4.97 115.64 116.91 3kr5 s THR 105 Ca 0.49 -1.02 0.35 0.00 -1.18 0.00 0.00 61.69 60.32 3kr5 s THR 105 Cb -0.10 -3.47 0.35 0.00 1.34 0.00 0.00 72.50 70.62 3kr5 s THR 105 CO 0.25 -0.19 2.07 1.55 -0.54 0.00 0.00 174.62 177.76 3kr5 h PRO 106 N 0.97 0.00 0.00 3.99 0.13 -1.99 -2.15 132.00 132.95 3kr5 h PRO 106 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3kr5 h PRO 106 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3kr5 h PRO 106 CO 0.54 0.00 -0.17 0.82 -0.23 0.00 0.00 178.00 178.97 3kr5 h ILE 107 N 0.00 0.51 0.00 -3.56 1.08 -1.93 -2.33 117.51 111.28 3kr5 h ILE 107 Ca 0.00 -0.84 -0.05 0.00 -0.39 0.00 0.00 64.86 63.58 3kr5 h ILE 107 Cb 0.03 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3kr5 h ILE 107 CO 0.00 0.17 -0.23 0.45 -0.69 0.00 0.00 178.15 177.85 3kr5 h HIS 108 N 0.00 0.00 -0.29 1.37 3.86 -1.76 -3.05 115.15 115.27 3kr5 h HIS 108 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kr5 h HIS 108 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3kr5 h HIS 108 CO 0.00 0.23 0.00 -0.25 0.86 0.00 0.00 177.93 178.77 3kr5 n ASP 109 N -3.26 1.82 -4.57 2.45 8.00 -0.88 -4.79 116.55 115.31 3kr5 n ASP 109 Ca 0.01 -2.06 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 3kr5 n ASP 109 Cb 0.51 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.62 4.89 -0.39 0.53 1.01 -1.16 -4.73 121.20 119.73 3kr5 s ILE 110 Ca 0.20 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 3kr5 s ILE 110 Cb 0.11 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3kr5 s ILE 110 CO 0.12 -0.31 0.70 -0.54 0.00 0.00 0.00 174.94 174.92 3kr5 s LYS 111 N 2.71 3.56 -0.13 2.79 1.02 0.31 -4.83 119.74 125.17 3kr5 s LYS 111 Ca 0.25 -0.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.12 3kr5 s LYS 111 Cb -0.14 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.25 3kr5 s LYS 111 CO 0.15 -0.90 0.22 0.08 -0.92 0.00 0.00 175.35 173.98 3kr5 s VAL 112 N 2.94 5.36 -0.04 3.17 1.01 -1.26 -1.69 120.40 129.90 3kr5 s VAL 112 Ca 0.27 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.68 3kr5 s VAL 112 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3kr5 s VAL 112 CO 0.18 0.51 -0.17 -1.10 0.00 0.00 0.00 175.10 174.51 3kr5 s GLN 113 N -0.29 1.68 -0.15 2.72 -1.52 0.13 -4.95 119.66 117.29 3kr5 s GLN 113 Ca 0.15 -0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 52.94 3kr5 s GLN 113 Cb -0.13 -1.50 -0.01 0.00 -0.22 0.00 0.00 33.01 31.15 3kr5 s GLN 113 CO 0.04 0.28 -0.11 0.08 -0.25 0.00 0.00 175.29 175.33 3kr5 s VAL 114 N -0.08 3.16 0.28 1.09 1.01 -1.26 -0.58 120.40 124.02 3kr5 s VAL 114 Ca -0.01 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.47 3kr5 s VAL 114 Cb -0.10 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3kr5 s VAL 114 CO 0.01 0.50 -0.17 -0.31 0.00 0.00 0.00 175.10 175.14 3kr5 s TYR 115 N 0.63 2.23 0.02 5.22 4.12 0.14 -4.90 117.35 124.81 3kr5 s TYR 115 Ca -0.06 -0.41 -0.21 0.00 0.02 0.00 0.00 57.07 56.41 3kr5 s TYR 115 Cb -0.15 -1.05 -0.06 0.00 -1.52 0.00 0.00 41.96 39.18 3kr5 s TYR 115 CO 0.03 0.63 0.61 0.34 0.02 0.00 0.00 175.55 177.18 3kr5 s ASP 116 N -3.50 7.02 0.32 2.29 -1.08 -1.26 -2.03 116.67 118.43 3kr5 s ASP 116 Ca 0.30 1.22 0.14 0.00 -0.52 0.00 0.00 52.55 53.69 3kr5 s ASP 116 Cb -0.03 -2.38 0.49 0.00 -1.46 0.00 0.00 42.92 39.55 3kr5 s ASP 116 CO 0.14 0.12 1.66 -0.29 0.52 0.00 0.00 175.17 177.33 3kr5 h ILE 117 N 4.02 1.18 -0.95 4.11 2.10 -1.75 -3.10 117.51 123.11 3kr5 h ILE 117 Ca -0.46 -1.86 0.08 0.00 1.08 0.00 0.00 64.86 63.70 3kr5 h ILE 117 Cb 1.20 2.06 -0.07 0.00 -1.09 0.00 0.00 36.82 38.92 3kr5 h ILE 117 CO 0.69 0.50 0.61 0.11 -1.08 0.00 0.00 178.15 178.98 3kr5 h LYS 118 N 0.00 1.02 0.00 2.19 1.57 -1.92 -1.83 116.57 117.59 3kr5 h LYS 118 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 118 Cb 1.02 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kr5 h LYS 118 CO 0.07 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 3kr5 n GLY 119 N -1.38 -1.01 0.00 3.86 0.00 -1.17 -4.98 105.19 100.50 3kr5 n GLY 119 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kr5 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 120 N -0.80 -1.21 3.58 -0.02 0.00 -0.69 -5.03 105.19 101.02 3kr5 n GLY 120 Ca -0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N -0.98 6.97 -0.49 0.00 -0.87 -1.26 0.56 114.94 118.87 3kr5 s ASN 122 Ca 0.14 1.18 0.03 0.00 -1.57 0.00 0.00 52.86 52.64 3kr5 s ASN 122 Cb -0.11 -2.44 0.16 0.00 -0.02 0.00 0.00 41.25 38.83 3kr5 s ASN 122 CO 0.03 -0.32 0.33 0.68 -2.57 0.00 0.00 177.10 175.26 3kr5 s VAL 123 N 1.75 1.30 0.00 1.60 -7.23 -1.26 -4.86 120.40 111.70 3kr5 s VAL 123 Ca 0.38 -2.94 0.00 0.00 -1.81 0.00 0.00 61.98 57.61 3kr5 s VAL 123 Cb -0.17 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3kr5 s VAL 123 CO 0.14 -1.05 0.14 -1.84 -0.31 0.00 0.00 175.10 172.19 3kr5 n GLU 124 N 2.96 -0.06 -3.81 4.82 0.28 -1.26 -4.85 120.64 118.73 3kr5 n GLU 124 Ca 0.19 -0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 56.91 3kr5 n GLU 124 Cb 0.39 -0.57 -0.11 0.00 1.43 0.00 0.00 31.44 32.58 3kr5 n GLU 124 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kr5 s GLU 125 N -0.02 0.31 2.33 3.44 2.12 -1.26 -4.92 118.70 120.70 3kr5 s GLU 125 Ca 0.00 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3kr5 s GLU 125 Cb 0.00 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.54 3kr5 s GLU 125 CO 0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 3kr5 n GLY 126 N 2.62 2.06 3.74 -1.50 0.00 -1.26 -4.63 105.19 106.21 3kr5 n GLY 126 Ca -0.15 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 4.14 -0.10 0.99 2.96 -0.37 -0.19 118.68 126.11 3kr5 s LEU 127 Ca 0.00 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3kr5 s LEU 127 Cb 0.00 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3kr5 s LEU 127 CO 0.00 0.24 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.19 3kr5 s THR 128 N -0.01 2.54 -0.02 3.68 2.01 0.13 0.98 115.64 124.96 3kr5 s THR 128 Ca 0.09 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3kr5 s THR 128 Cb -0.12 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 3kr5 s THR 128 CO -0.00 0.55 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.70 3kr5 s ILE 129 N 0.13 1.22 -0.30 1.82 -1.09 0.10 0.62 121.20 123.70 3kr5 s ILE 129 Ca -0.10 -0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 3kr5 s ILE 129 Cb -0.16 -1.04 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 3kr5 s ILE 129 CO 0.06 0.35 0.06 -0.36 -1.23 0.00 0.00 174.94 173.82 3kr5 s PHE 130 N -0.17 3.19 -0.29 3.97 0.40 0.15 -0.12 117.98 125.11 3kr5 s PHE 130 Ca 0.02 -1.32 -0.29 0.00 -0.60 0.00 0.00 56.93 54.74 3kr5 s PHE 130 Cb -0.08 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 3kr5 s PHE 130 CO 0.00 -0.68 1.47 -0.51 0.70 0.00 0.00 175.22 176.21 3kr5 s LEU 131 N 1.41 3.82 0.13 -0.37 1.43 0.77 -2.43 118.68 123.44 3kr5 s LEU 131 Ca -0.00 1.32 0.09 0.00 -1.03 0.00 0.00 54.13 54.51 3kr5 s LEU 131 Cb -0.18 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3kr5 s LEU 131 CO 0.01 -1.25 -0.22 0.68 0.23 0.00 0.00 176.35 175.81 3kr5 s VAL 132 N 5.03 1.89 0.17 -1.59 -7.23 -1.02 -0.64 120.40 117.01 3kr5 s VAL 132 Ca 0.65 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3kr5 s VAL 132 Cb -0.20 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 3kr5 s VAL 132 CO 0.28 -0.09 0.10 -0.46 -0.31 0.00 0.00 175.10 174.61 3kr5 n ASN 133 N 0.82 0.42 -3.31 4.85 0.23 -1.26 0.96 115.26 117.96 3kr5 n ASN 133 Ca -0.17 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 51.76 3kr5 n ASN 133 Cb 0.54 0.61 -0.06 0.00 -2.08 0.00 0.00 39.78 38.80 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 -2.11 0.36 0.42 0.53 3.84 -0.91 -4.84 114.94 112.23 3kr5 s ASN 134 Ca 0.14 -1.31 -0.25 0.00 0.21 0.00 0.00 52.86 51.64 3kr5 s ASN 134 Cb 0.01 0.98 -0.10 0.00 -0.55 0.00 0.00 41.25 41.59 3kr5 s ASN 134 CO 0.10 -0.24 1.18 -2.65 -2.79 0.00 0.00 177.10 172.70 3kr5 n PRO 135 N 4.33 1.72 0.00 0.43 -0.02 -1.26 -3.76 135.00 136.44 3kr5 n PRO 135 Ca 0.11 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3kr5 n PRO 135 Cb 0.49 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.94 2.14 3.55 -1.23 0.00 -1.20 -4.93 105.19 104.47 3kr5 n GLY 136 Ca 0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 3.43 0.60 1.61 -2.85 -1.25 -5.03 119.74 116.26 3kr5 s LYS 137 Ca 0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 55.97 54.77 3kr5 s LYS 137 Cb 0.00 -4.01 -0.03 0.00 -2.06 0.00 0.00 37.83 31.73 3kr5 s LYS 137 CO 0.00 -1.48 1.26 -1.21 0.10 0.00 0.00 175.35 174.02 3kr5 s GLU 138 N 4.20 2.89 -1.66 1.78 0.41 -1.26 -2.09 118.70 122.97 3kr5 s GLU 138 Ca 0.36 1.97 -0.15 0.00 -0.41 0.00 0.00 54.97 56.74 3kr5 s GLU 138 Cb -0.10 -1.97 0.13 0.00 -1.78 0.00 0.00 34.13 30.40 3kr5 s GLU 138 CO 0.23 -1.31 0.67 0.09 -0.49 0.00 0.00 175.26 174.45 3kr5 n ASN 139 N -1.56 -2.49 -4.79 -0.19 3.02 -1.26 -4.93 115.26 103.06 3kr5 n ASN 139 Ca 0.14 -1.04 -0.32 0.00 -0.03 0.00 0.00 54.58 53.32 3kr5 n ASN 139 Cb 0.48 -2.68 0.03 0.00 -0.61 0.00 0.00 39.78 37.00 3kr5 n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kr5 s GLY 140 N -3.53 2.04 0.74 7.41 0.00 -0.89 -4.48 107.32 108.60 3kr5 s GLY 140 Ca 0.58 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 45.55 3kr5 s GLY 140 CO 0.93 0.71 1.14 2.56 0.00 0.00 0.00 173.10 178.44 3kr5 s PRO 141 N -4.27 2.24 0.27 2.90 0.04 -1.26 0.22 135.00 135.14 3kr5 s PRO 141 Ca 0.63 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 3kr5 s PRO 141 Cb -0.17 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3kr5 s PRO 141 CO 0.42 -1.70 1.01 0.08 0.04 0.00 0.00 177.00 176.84 3kr5 s VAL 142 N -2.36 3.82 -0.22 -0.36 1.01 -0.82 -4.65 120.40 116.82 3kr5 s VAL 142 Ca 0.68 1.80 -0.05 0.00 0.00 0.00 0.00 61.98 64.41 3kr5 s VAL 142 Cb -0.23 -4.13 0.11 0.00 0.00 0.00 0.00 36.38 32.13 3kr5 s VAL 142 CO 0.47 0.40 0.40 -0.75 0.00 0.00 0.00 175.10 175.62 3kr5 s LYS 143 N -1.40 0.33 -0.11 2.72 2.20 -1.26 -3.09 119.74 119.13 3kr5 s LYS 143 Ca 0.44 0.79 -0.20 0.00 -0.36 0.00 0.00 55.97 56.64 3kr5 s LYS 143 Cb -0.28 -0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 3kr5 s LYS 143 CO 0.35 -0.44 0.54 0.42 -0.36 0.00 0.00 175.35 175.86 3kr5 s ILE 144 N 2.58 5.14 -0.24 5.43 -1.09 -1.26 -4.94 121.20 126.83 3kr5 s ILE 144 Ca 0.06 1.09 -0.18 0.00 -2.23 0.00 0.00 60.65 59.39 3kr5 s ILE 144 Cb -0.14 -3.88 -0.16 0.00 -1.58 0.00 0.00 42.46 36.70 3kr5 s ILE 144 CO -0.14 0.29 -0.03 -1.20 -1.23 0.00 0.00 174.94 172.63 3kr5 n SER 145 N 3.79 1.90 -4.49 3.58 7.64 -1.26 -4.96 113.62 119.82 3kr5 n SER 145 Ca -0.05 0.39 -0.55 0.00 1.01 0.00 0.00 58.87 59.67 3kr5 n SER 145 Cb 0.51 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 3kr5 n SER 145 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kr5 n SER 146 N -4.36 -0.08 -4.74 6.43 7.64 -1.26 -4.95 113.62 112.30 3kr5 n SER 146 Ca -0.41 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.21 3kr5 n SER 146 Cb 0.76 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.26 4.71 -0.04 1.43 2.20 -1.26 -4.96 119.74 121.55 3kr5 s LYS 147 Ca 0.82 1.55 0.04 0.00 -0.36 0.00 0.00 55.97 58.02 3kr5 s LYS 147 Cb -1.12 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 31.85 3kr5 s LYS 147 CO 0.56 0.25 -0.15 0.14 -0.36 0.00 0.00 175.35 175.79 3kr5 s VAL 148 N -0.41 3.04 -0.02 4.02 -7.23 -1.26 -0.93 120.40 117.60 3kr5 s VAL 148 Ca 0.46 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 3kr5 s VAL 148 Cb -0.26 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3kr5 s VAL 148 CO 0.32 0.56 0.76 -0.46 -0.31 0.00 0.00 175.10 175.98 3kr5 n ASN 149 N 2.21 2.29 -3.99 4.85 2.04 0.19 -4.69 115.26 118.16 3kr5 n ASN 149 Ca -0.17 -1.54 -0.22 0.00 -0.44 0.00 0.00 54.58 52.21 3kr5 n ASN 149 Cb 0.52 -0.39 -0.16 0.00 -2.53 0.00 0.00 39.78 37.23 3kr5 n ASN 149 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3kr5 s ASP 150 N 0.98 1.35 -0.03 0.53 2.15 -1.26 -4.86 116.67 115.52 3kr5 s ASP 150 Ca 0.00 -0.21 -0.22 0.00 0.43 0.00 0.00 52.55 52.54 3kr5 s ASP 150 Cb 0.00 -0.51 -0.16 0.00 -0.30 0.00 0.00 42.92 41.95 3kr5 s ASP 150 CO 0.00 0.03 0.99 0.07 -0.17 0.00 0.00 175.17 176.09 3kr5 h LYS 151 N 6.72 -0.26 -0.53 4.34 2.10 -1.98 -1.55 116.57 125.41 3kr5 h LYS 151 Ca -0.34 0.02 0.11 0.00 -2.00 0.00 0.00 60.65 58.44 3kr5 h LYS 151 Cb 1.17 0.06 -0.10 0.00 -0.90 0.00 0.00 32.23 32.46 3kr5 h LYS 151 CO 0.48 0.14 -0.17 1.96 -2.00 0.00 0.00 179.45 179.86 3kr5 h GLN 152 N -0.82 -0.04 -0.01 0.07 1.08 -1.95 -0.43 115.11 113.01 3kr5 h GLN 152 Ca -0.03 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 3kr5 h GLN 152 Cb 0.52 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3kr5 h GLN 152 CO 0.04 -0.03 -0.63 0.28 -0.95 0.00 0.00 178.83 177.55 3kr5 h VAL 153 N -0.04 1.45 -0.45 -0.54 2.07 -1.88 -1.13 116.25 115.73 3kr5 h VAL 153 Ca 0.25 -2.15 -0.11 0.00 0.82 0.00 0.00 66.70 65.51 3kr5 h VAL 153 Cb 0.43 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3kr5 h VAL 153 CO -0.57 0.62 -0.17 0.28 0.02 0.00 0.00 177.57 177.75 3kr5 h SER 154 N 0.02 0.87 -0.01 0.57 0.02 -0.65 -0.97 113.55 113.39 3kr5 h SER 154 Ca -0.01 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3kr5 h SER 154 Cb 1.12 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 3kr5 h SER 154 CO 0.08 1.03 0.01 -0.08 -1.14 0.00 0.00 176.83 176.73 3kr5 h GLU 155 N 0.76 0.02 -0.67 3.45 4.57 -0.56 -2.34 114.58 119.81 3kr5 h GLU 155 Ca 0.11 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3kr5 h GLU 155 Cb 0.70 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3kr5 h GLU 155 CO 0.05 0.14 0.44 0.35 -1.18 0.00 0.00 179.01 178.82 3kr5 h PHE 156 N -0.11 0.80 -0.11 0.92 3.57 -1.09 -2.00 116.94 118.91 3kr5 h PHE 156 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kr5 h PHE 156 Cb 0.13 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3kr5 h PHE 156 CO -0.03 0.47 0.00 1.28 -2.23 0.00 0.00 178.31 177.80 3kr5 n LEU 157 N -4.45 1.09 -4.44 0.59 4.77 -0.38 -4.51 117.00 109.66 3kr5 n LEU 157 Ca 0.08 -0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 55.31 3kr5 n LEU 157 Cb 0.10 -0.07 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 3kr5 n LEU 157 CO 0.35 0.23 0.18 2.29 -1.33 0.00 0.00 177.39 179.11 3kr5 n LYS 158 N -0.06 -1.76 0.07 3.23 2.85 -0.75 -4.50 118.16 117.24 3kr5 n LYS 158 Ca 0.15 -0.48 -0.05 0.00 -1.05 0.00 0.00 58.31 56.88 3kr5 n LYS 158 Cb 0.24 -2.04 0.13 0.00 -0.65 0.00 0.00 35.03 32.71 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3kr5 h ASP 159 N -2.31 0.33 -0.04 -5.58 5.19 -1.91 -2.23 116.42 109.88 3kr5 h ASP 159 Ca -0.55 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 55.68 3kr5 h ASP 159 Cb 1.33 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 3kr5 h ASP 159 CO 0.44 0.81 0.02 -0.33 -3.12 0.00 0.00 179.24 177.06 3kr5 h GLU 160 N 0.23 0.06 -0.16 3.56 3.07 -1.95 0.15 114.58 119.55 3kr5 h GLU 160 Ca 0.00 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 3kr5 h GLU 160 Cb 1.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 3kr5 h GLU 160 CO 0.09 0.16 -0.40 -0.97 -1.40 0.00 0.00 179.01 176.49 3kr5 h ASN 161 N -0.05 0.37 1.12 1.42 -1.24 -1.84 -3.30 115.58 112.06 3kr5 h ASN 161 Ca 0.01 -0.15 -0.10 0.00 0.71 0.00 0.00 56.30 56.77 3kr5 h ASN 161 Cb 0.12 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 3kr5 h ASN 161 CO -0.00 0.73 -0.48 0.24 -1.29 0.00 0.00 177.43 176.64 3kr5 h MET 162 N 0.30 0.00 0.00 6.67 2.86 -1.05 -2.96 114.93 120.74 3kr5 h MET 162 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3kr5 h MET 162 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3kr5 h MET 162 CO 0.07 0.48 0.00 -0.85 1.06 0.00 0.00 176.91 177.66 3kr5 n GLU 163 N -3.39 0.08 0.12 1.72 0.28 0.49 -2.10 120.64 117.83 3kr5 n GLU 163 Ca 0.01 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 3kr5 n GLU 163 Cb 0.64 -1.67 0.47 0.00 1.43 0.00 0.00 31.44 32.30 3kr5 n GLU 163 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kr5 n LYS 164 N -1.82 0.20 -4.10 3.44 5.02 -1.12 -4.67 118.16 115.12 3kr5 n LYS 164 Ca 0.02 0.36 -0.22 0.00 -2.02 0.00 0.00 58.31 56.45 3kr5 n LYS 164 Cb 0.15 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kr5 s PHE 165 N -3.25 2.88 0.31 2.13 2.99 -0.89 -5.04 117.98 117.11 3kr5 s PHE 165 Ca 0.06 -0.23 0.08 0.00 0.00 0.00 0.00 56.93 56.84 3kr5 s PHE 165 Cb 0.10 -1.47 -0.06 0.00 0.00 0.00 0.00 43.02 41.59 3kr5 s PHE 165 CO 0.44 0.45 -0.08 0.54 -0.00 0.00 0.00 175.22 176.57 3kr5 s ASN 166 N -3.83 3.27 -0.01 1.36 2.20 -1.26 -1.95 114.94 114.72 3kr5 s ASN 166 Ca 0.35 -1.19 0.12 0.00 -0.94 0.00 0.00 52.86 51.19 3kr5 s ASN 166 Cb -0.06 -0.26 0.37 0.00 -2.00 0.00 0.00 41.25 39.29 3kr5 s ASN 166 CO 0.23 -0.27 1.28 1.33 -2.94 0.00 0.00 177.10 176.74 3kr5 n VAL 167 N -0.69 0.65 -1.64 3.54 0.24 0.13 -4.61 118.33 115.95 3kr5 n VAL 167 Ca -0.05 -0.56 -0.58 0.00 -2.04 0.00 0.00 64.34 61.11 3kr5 n VAL 167 Cb 0.63 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.64 0.71 -1.56 7.34 4.81 -1.26 -0.60 118.16 128.24 3kr5 n LYS 168 Ca 0.14 0.26 -0.59 0.00 -0.87 0.00 0.00 58.31 57.24 3kr5 n LYS 168 Cb 0.39 -1.86 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 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 3.43 0.52 0.00 3.14 7.94 -1.26 0.15 117.00 130.92 3kr5 n LEU 169 Ca 0.23 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.29 3kr5 n LEU 169 Cb 0.11 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.09 3kr5 n LEU 169 CO 0.72 -1.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.06 3kr5 n GLY 170 N 2.16 2.90 3.70 -3.96 0.00 0.36 -4.93 105.19 105.42 3kr5 n GLY 170 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s THR 171 N -2.03 3.21 0.11 2.61 2.01 0.12 -4.64 115.64 117.04 3kr5 s THR 171 Ca 0.00 0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.79 3kr5 s THR 171 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3kr5 s THR 171 CO 0.00 0.02 -0.15 -0.94 -0.69 0.00 0.00 174.62 172.85 3kr5 s SER 172 N 1.84 2.06 0.13 3.53 1.04 -1.26 1.00 113.70 122.03 3kr5 s SER 172 Ca 0.69 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 56.40 3kr5 s SER 172 Cb -0.37 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 3kr5 s SER 172 CO 0.30 -0.09 -0.10 -0.54 0.98 0.00 0.00 173.24 173.79 3kr5 s LYS 173 N -2.38 0.99 -0.29 4.02 -0.14 -1.12 -5.02 119.74 115.81 3kr5 s LYS 173 Ca 0.07 -1.39 -0.21 0.00 -1.36 0.00 0.00 55.97 53.07 3kr5 s LYS 173 Cb -0.07 -0.54 0.13 0.00 -1.68 0.00 0.00 37.83 35.67 3kr5 s LYS 173 CO 0.03 0.06 1.02 -3.38 -0.76 0.00 0.00 175.35 172.32 3kr5 s HIS 174 N -3.25 -0.51 0.09 3.18 -3.43 -1.26 -2.10 115.29 108.01 3kr5 s HIS 174 Ca 0.14 1.14 0.10 0.00 -0.80 0.00 0.00 55.06 55.64 3kr5 s HIS 174 Cb 0.02 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 3kr5 s HIS 174 CO -0.00 -0.25 -0.25 -0.06 -2.00 0.00 0.00 174.74 172.17 3kr5 s PHE 175 N 0.70 2.35 0.10 0.38 0.40 0.05 -4.90 117.98 117.06 3kr5 s PHE 175 Ca -0.02 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.73 3kr5 s PHE 175 Cb -0.04 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.09 3kr5 s PHE 175 CO -0.10 0.26 0.63 0.71 0.70 0.00 0.00 175.22 177.41 3kr5 s TYR 176 N -0.96 3.84 0.17 0.36 1.51 -1.26 -0.50 117.35 120.50 3kr5 s TYR 176 Ca 0.14 1.37 -0.22 0.00 -1.01 0.00 0.00 57.07 57.35 3kr5 s TYR 176 Cb -0.10 -2.57 0.06 0.00 -0.11 0.00 0.00 41.96 39.23 3kr5 s TYR 176 CO 0.05 0.57 0.59 0.00 -1.11 0.00 0.00 175.55 175.64 3kr5 s MET 177 N -1.11 1.32 -0.14 -0.62 0.23 0.23 -5.00 119.30 114.22 3kr5 s MET 177 Ca 0.31 -0.58 -0.15 0.00 -1.03 0.00 0.00 55.69 54.23 3kr5 s MET 177 Cb -0.20 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 3kr5 s MET 177 CO 0.21 -0.57 0.36 -0.06 -2.03 0.00 0.00 175.02 172.92 3kr5 s PHE 178 N -3.78 3.49 0.65 3.16 0.08 -1.26 -0.38 117.98 119.95 3kr5 s PHE 178 Ca 0.03 0.71 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 3kr5 s PHE 178 Cb -0.01 -2.40 0.09 0.00 -0.57 0.00 0.00 43.02 40.12 3kr5 s PHE 178 CO -0.10 0.24 0.91 0.54 -0.10 0.00 0.00 175.22 176.71 3kr5 s ASN 179 N 0.41 4.74 0.13 1.36 2.20 0.33 -4.83 114.94 119.28 3kr5 s ASN 179 Ca 0.20 -0.18 0.03 0.00 -0.94 0.00 0.00 52.86 51.97 3kr5 s ASN 179 Cb -0.14 -0.41 0.16 0.00 -2.00 0.00 0.00 41.25 38.86 3kr5 s ASN 179 CO 0.06 -1.57 0.82 0.47 -2.94 0.00 0.00 177.10 173.95 3kr5 n ASP 180 N -2.65 0.08 -1.22 3.54 8.00 -1.26 0.18 116.55 123.21 3kr5 n ASP 180 Ca 0.12 0.27 0.10 0.00 0.71 0.00 0.00 54.79 55.98 3kr5 n ASP 180 Cb 0.60 -0.21 0.29 0.00 -0.02 0.00 0.00 41.12 41.78 3kr5 n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kr5 n ASN 181 N -1.47 3.86 -2.33 -2.24 3.02 -1.26 -4.91 115.26 109.93 3kr5 n ASN 181 Ca -0.00 -2.10 -0.10 0.00 -0.03 0.00 0.00 54.58 52.35 3kr5 n ASN 181 Cb 0.41 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 3kr5 n ASN 181 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kr5 n LYS 182 N 1.25 -2.27 -3.27 3.52 3.00 0.47 -4.93 118.16 115.93 3kr5 n LYS 182 Ca 0.22 0.48 -0.36 0.00 -0.00 0.00 0.00 58.31 58.64 3kr5 n LYS 182 Cb 0.63 -5.01 -0.06 0.00 0.00 0.00 0.00 35.03 30.59 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3kr5 s ASN 183 N -2.00 6.95 -0.41 3.14 0.01 -1.22 -4.78 114.94 116.63 3kr5 s ASN 183 Ca 0.00 1.21 -0.21 0.00 -0.71 0.00 0.00 52.86 53.16 3kr5 s ASN 183 Cb 0.00 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.34 3kr5 s ASN 183 CO 0.00 0.14 0.65 -0.55 -1.51 0.00 0.00 177.10 175.82 3kr5 s SER 184 N -1.53 6.36 0.14 -1.22 0.15 -1.26 -0.52 113.70 115.82 3kr5 s SER 184 Ca 0.36 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.89 3kr5 s SER 184 Cb -0.17 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 3kr5 s SER 184 CO 0.20 -0.73 -0.14 0.68 1.20 0.00 0.00 173.24 174.45 3kr5 s VAL 185 N 2.81 1.42 -0.03 4.45 -7.23 0.49 -4.53 120.40 117.78 3kr5 s VAL 185 Ca 0.23 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 3kr5 s VAL 185 Cb -0.14 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3kr5 s VAL 185 CO 0.18 -0.48 -0.12 0.00 -0.31 0.00 0.00 175.10 174.38 3kr5 s ALA 186 N -2.42 2.80 -0.02 1.32 0.00 0.73 -0.60 121.76 123.57 3kr5 s ALA 186 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3kr5 s ALA 186 Cb -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3kr5 s ALA 186 CO 0.04 0.57 0.02 0.08 0.00 0.00 0.00 175.76 176.47 3kr5 s VAL 187 N -0.82 -0.03 0.00 0.00 1.01 0.34 0.20 120.40 121.09 3kr5 s VAL 187 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3kr5 s VAL 187 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.19 3kr5 s VAL 187 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3kr5 n GLY 188 N 3.97 2.63 3.25 4.51 0.00 0.20 -0.77 105.19 118.98 3kr5 n GLY 188 Ca -0.25 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.38 0.51 -0.11 1.61 1.13 -0.89 0.33 117.35 116.56 3kr5 s TYR 189 Ca 0.00 -0.90 0.01 0.00 -1.41 0.00 0.00 57.07 54.78 3kr5 s TYR 189 Cb 0.00 -0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.67 3kr5 s TYR 189 CO 0.00 -0.61 -0.13 0.08 -2.51 0.00 0.00 175.55 172.37 3kr5 s VAL 190 N -3.97 1.36 0.14 -3.49 1.01 -1.02 -2.77 120.40 111.65 3kr5 s VAL 190 Ca 0.17 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3kr5 s VAL 190 Cb 0.05 -1.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 3kr5 s VAL 190 CO -0.02 0.42 1.21 -0.83 0.00 0.00 0.00 175.10 175.88 3kr5 s GLY 191 N 1.11 2.53 -0.27 4.51 0.00 0.28 -2.44 107.32 113.03 3kr5 s GLY 191 Ca -0.05 0.92 0.11 0.00 0.00 0.00 0.00 44.72 45.71 3kr5 s GLY 191 CO -0.03 1.95 1.52 0.00 0.00 0.00 0.00 173.10 176.54 3kr5 n GLY 193 N -0.83 -1.42 0.44 0.00 0.00 0.23 -4.42 105.19 99.20 3kr5 n GLY 193 Ca 0.32 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 45.11 3kr5 n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kr5 n SER 194 N 0.02 1.63 -4.12 1.61 7.64 -1.26 -2.14 113.62 116.99 3kr5 n SER 194 Ca 0.00 -3.02 -0.32 0.00 1.01 0.00 0.00 58.87 56.54 3kr5 n SER 194 Cb 0.00 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kr5 s VAL 195 N -2.19 2.00 -1.93 0.44 1.01 -1.26 -3.20 120.40 115.26 3kr5 s VAL 195 Ca 0.28 -0.91 0.15 0.00 0.00 0.00 0.00 61.98 61.50 3kr5 s VAL 195 Cb 0.27 -1.80 0.41 0.00 0.00 0.00 0.00 36.38 35.25 3kr5 s VAL 195 CO -0.02 0.53 1.33 0.00 0.00 0.00 0.00 175.10 176.94 3kr5 n ALA 196 N 4.48 2.03 -3.99 5.51 0.00 -1.26 -4.26 120.51 123.03 3kr5 n ALA 196 Ca -0.20 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 3kr5 n ALA 196 Cb 0.50 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 3kr5 n ALA 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kr5 s ASP 197 N -2.07 4.25 0.17 0.00 1.11 -1.26 -4.49 116.67 114.38 3kr5 s ASP 197 Ca 0.22 -1.49 -0.25 0.00 0.18 0.00 0.00 52.55 51.21 3kr5 s ASP 197 Cb 0.10 -1.37 -0.08 0.00 1.07 0.00 0.00 42.92 42.64 3kr5 s ASP 197 CO 0.18 -0.26 0.76 -0.76 1.18 0.00 0.00 175.17 176.27 3kr5 s LEU 198 N 1.21 4.57 0.75 1.23 1.02 -1.26 -5.07 118.68 121.14 3kr5 s LEU 198 Ca -0.02 1.61 -0.08 0.00 0.02 0.00 0.00 54.13 55.66 3kr5 s LEU 198 Cb -0.19 -3.30 0.09 0.00 0.02 0.00 0.00 46.19 42.81 3kr5 s LEU 198 CO -0.07 0.20 1.07 -0.94 0.02 0.00 0.00 176.35 176.62 3kr5 s SER 199 N -1.18 4.49 0.15 2.29 1.04 -1.26 -4.88 113.70 114.34 3kr5 s SER 199 Ca 0.36 0.34 -0.16 0.00 0.48 0.00 0.00 55.95 56.96 3kr5 s SER 199 Cb -0.22 -0.86 0.05 0.00 0.10 0.00 0.00 66.02 65.09 3kr5 s SER 199 CO 0.25 -1.82 1.76 1.05 0.98 0.00 0.00 173.24 175.47 3kr5 h GLU 200 N -0.77 0.31 -0.37 4.02 -0.00 -1.97 0.11 114.58 115.90 3kr5 h GLU 200 Ca -0.43 -0.02 0.03 0.00 -0.00 0.00 0.00 59.36 58.93 3kr5 h GLU 200 Cb 1.30 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.95 3kr5 h GLU 200 CO 0.55 0.21 0.18 0.00 -0.00 0.00 0.00 179.01 179.95 3kr5 h ALA 201 N 1.21 0.46 -0.95 1.06 0.00 -1.94 0.20 119.26 119.30 3kr5 h ALA 201 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kr5 h ALA 201 Cb 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 201 CO -0.13 -0.18 0.61 -0.44 0.00 0.00 0.00 179.25 179.10 3kr5 h ASP 202 N 0.38 1.11 -0.21 0.00 3.32 -1.80 -0.31 116.42 118.90 3kr5 h ASP 202 Ca 0.16 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3kr5 h ASP 202 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3kr5 h ASP 202 CO -0.11 0.82 0.01 -0.03 -1.72 0.00 0.00 179.24 178.21 3kr5 h MET 203 N 1.30 0.37 -0.82 3.56 4.05 0.24 -1.29 114.93 122.33 3kr5 h MET 203 Ca 0.35 -0.11 0.18 0.00 -0.28 0.00 0.00 59.70 59.83 3kr5 h MET 203 Cb -0.12 -0.04 -0.11 0.00 -0.80 0.00 0.00 31.60 30.54 3kr5 h MET 203 CO -0.07 0.54 0.31 -0.22 0.23 0.00 0.00 176.91 177.70 3kr5 h LYS 204 N 0.14 0.38 -0.71 0.39 3.64 -0.26 0.63 116.57 120.79 3kr5 h LYS 204 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3kr5 h LYS 204 Cb 0.37 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kr5 h LYS 204 CO 0.01 0.25 0.30 0.00 -2.27 0.00 0.00 179.45 177.74 3kr5 h ARG 205 N 0.39 1.04 0.10 1.90 3.08 -0.43 0.54 114.38 121.00 3kr5 h ARG 205 Ca 0.48 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3kr5 h ARG 205 Cb 0.82 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3kr5 h ARG 205 CO -0.48 0.83 -0.05 0.28 -1.07 0.00 0.00 179.97 179.49 3kr5 h VAL 206 N 1.02 1.11 -0.95 2.04 2.07 0.37 -2.92 116.25 118.99 3kr5 h VAL 206 Ca 0.24 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 67.00 3kr5 h VAL 206 Cb 0.17 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3kr5 h VAL 206 CO -0.02 0.21 0.61 0.58 0.02 0.00 0.00 177.57 178.96 3kr5 h VAL 207 N -0.54 0.96 0.00 2.57 2.07 0.29 -0.71 116.25 120.90 3kr5 h VAL 207 Ca -0.01 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3kr5 h VAL 207 Cb 0.44 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3kr5 h VAL 207 CO 0.02 0.17 -0.23 0.25 0.02 0.00 0.00 177.57 177.81 3kr5 h LEU 208 N 0.96 0.00 0.20 2.57 5.85 -0.82 0.40 115.31 124.47 3kr5 h LEU 208 Ca 0.45 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.89 3kr5 h LEU 208 Cb 0.42 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.48 3kr5 h LEU 208 CO -0.21 0.23 -1.23 -1.28 -0.34 0.00 0.00 178.44 175.61 3kr5 h SER 209 N 0.00 0.67 0.55 1.25 0.87 -0.97 -2.64 113.55 113.28 3kr5 h SER 209 Ca -0.00 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 59.61 3kr5 h SER 209 Cb 0.52 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3kr5 h SER 209 CO 0.03 1.59 -0.45 0.25 -0.53 0.00 0.00 176.83 177.72 3kr5 h LEU 210 N -0.08 -1.19 -1.91 2.23 5.85 -0.31 -2.06 115.31 117.83 3kr5 h LEU 210 Ca -0.22 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3kr5 h LEU 210 Cb 1.95 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 43.34 3kr5 h LEU 210 CO 0.22 -0.64 0.45 0.58 -0.34 0.00 0.00 178.44 178.71 3kr5 h VAL 211 N -0.98 0.26 0.11 1.05 2.07 -0.30 0.90 116.25 119.36 3kr5 h VAL 211 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kr5 h VAL 211 Cb 0.83 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kr5 h VAL 211 CO -0.01 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.27 3kr5 h THR 212 N 0.00 1.10 -0.80 2.57 2.02 -0.99 -2.08 112.91 114.73 3kr5 h THR 212 Ca 0.15 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.45 3kr5 h THR 212 Cb 1.06 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 3kr5 h THR 212 CO -0.00 0.23 0.45 0.24 0.37 0.00 0.00 175.52 176.81 3kr5 h MET 213 N -0.62 0.73 -0.90 6.66 2.07 0.11 -0.52 114.93 122.46 3kr5 h MET 213 Ca -0.01 -0.04 0.07 0.00 -2.07 0.00 0.00 59.70 57.64 3kr5 h MET 213 Cb 0.49 -0.16 -0.07 0.00 -1.87 0.00 0.00 31.60 29.99 3kr5 h MET 213 CO 0.02 0.48 0.56 -0.07 1.07 0.00 0.00 176.91 178.98 3kr5 h LEU 214 N 0.75 0.88 0.00 1.22 3.38 -1.02 -2.35 115.31 118.17 3kr5 h LEU 214 Ca 0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3kr5 h LEU 214 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kr5 h LEU 214 CO -0.25 0.54 0.00 1.41 0.09 0.00 0.00 178.44 180.23 3kr5 n HIS 215 N -4.61 0.00 -1.56 1.13 8.25 -0.21 -2.20 115.22 116.01 3kr5 n HIS 215 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 3kr5 n HIS 215 Cb 0.21 -0.32 0.20 0.00 1.12 0.00 0.00 29.99 31.21 3kr5 n HIS 215 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kr5 n ASP 216 N -1.32 1.97 -4.13 0.41 2.03 -0.90 -2.94 116.55 111.67 3kr5 n ASP 216 Ca 0.12 -3.88 -0.28 0.00 0.52 0.00 0.00 54.79 51.28 3kr5 n ASP 216 Cb 0.23 -0.56 -0.17 0.00 -0.72 0.00 0.00 41.12 39.90 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3kr5 s ASN 217 N -3.03 2.38 -0.50 1.67 0.02 -0.94 -4.77 114.94 109.78 3kr5 s ASN 217 Ca 0.40 -0.41 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 3kr5 s ASN 217 Cb 0.38 -0.96 0.51 0.00 0.02 0.00 0.00 41.25 41.20 3kr5 s ASN 217 CO -0.05 0.12 1.79 0.29 0.02 0.00 0.00 177.10 179.27 3kr5 n LYS 218 N 3.50 2.58 -2.06 -0.60 5.02 -1.26 -3.02 118.16 122.32 3kr5 n LYS 218 Ca -0.20 -3.34 -0.28 0.00 -2.02 0.00 0.00 58.31 52.46 3kr5 n LYS 218 Cb 0.52 -2.18 0.14 0.00 -0.02 0.00 0.00 35.03 33.49 3kr5 n LYS 218 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3kr5 s LEU 219 N -3.57 2.73 -0.16 -0.35 -0.00 -1.26 -4.96 118.68 111.11 3kr5 s LEU 219 Ca 0.58 0.28 0.15 0.00 -0.00 0.00 0.00 54.13 55.13 3kr5 s LEU 219 Cb 0.47 -2.51 -0.21 0.00 -0.00 0.00 0.00 46.19 43.94 3kr5 s LEU 219 CO 0.03 -2.32 0.08 -1.54 -0.00 0.00 0.00 176.35 172.59 3kr5 n SER 220 N -3.44 0.89 -3.85 1.48 3.41 -1.26 -4.59 113.62 106.25 3kr5 n SER 220 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 3kr5 n SER 220 Cb 0.60 0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.46 0.53 -0.11 4.33 2.20 -1.26 -2.25 119.74 120.72 3kr5 s LYS 221 Ca -0.08 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 3kr5 s LYS 221 Cb 0.05 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3kr5 s LYS 221 CO 0.69 -0.13 0.01 -1.17 -0.36 0.00 0.00 175.35 174.38 3kr5 s LEU 222 N -1.40 3.59 -0.16 5.43 2.96 -0.33 -1.23 118.68 127.54 3kr5 s LEU 222 Ca -0.14 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3kr5 s LEU 222 Cb -0.07 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.80 3kr5 s LEU 222 CO 0.02 0.32 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.29 3kr5 s THR 223 N -0.52 1.89 -0.17 3.68 2.01 0.28 0.13 115.64 122.93 3kr5 s THR 223 Ca 0.09 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 3kr5 s THR 223 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3kr5 s THR 223 CO 0.02 0.51 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 3kr5 s VAL 224 N 1.19 4.03 -0.25 3.82 1.01 0.12 0.02 120.40 130.34 3kr5 s VAL 224 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3kr5 s VAL 224 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3kr5 s VAL 224 CO -0.09 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 3kr5 s VAL 225 N 0.59 3.11 -0.71 2.92 1.01 0.83 -0.87 120.40 127.28 3kr5 s VAL 225 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 3kr5 s VAL 225 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.74 3kr5 s VAL 225 CO 0.02 0.24 1.17 -0.36 0.00 0.00 0.00 175.10 176.16 3kr5 s PHE 226 N 1.38 2.43 -0.44 5.22 0.40 0.37 -0.16 117.98 127.17 3kr5 s PHE 226 Ca 0.02 -0.22 0.12 0.00 -0.60 0.00 0.00 56.93 56.24 3kr5 s PHE 226 Cb -0.16 -4.51 0.67 0.00 0.51 0.00 0.00 43.02 39.54 3kr5 s PHE 226 CO -0.03 -1.92 1.53 0.39 0.70 0.00 0.00 175.22 175.89 3kr5 n GLU 227 N 8.77 4.16 -4.45 0.44 1.02 0.19 -4.77 120.64 126.00 3kr5 n GLU 227 Ca 0.01 -2.59 -0.22 0.00 -0.02 0.00 0.00 57.16 54.34 3kr5 n GLU 227 Cb 0.48 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 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 -2.41 1.55 -0.32 -3.67 -4.36 -1.23 -4.46 121.20 106.30 3kr5 s ILE 228 Ca 0.45 -2.07 -0.12 0.00 -0.26 0.00 0.00 60.65 58.65 3kr5 s ILE 228 Cb 0.34 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 3kr5 s ILE 228 CO 0.14 -0.18 0.21 0.21 0.24 0.00 0.00 174.94 175.55 3kr5 s ASN 229 N -3.48 5.93 -0.03 4.36 2.47 -1.26 -4.98 114.94 117.94 3kr5 s ASN 229 Ca 0.32 -0.35 0.01 0.00 0.42 0.00 0.00 52.86 53.26 3kr5 s ASN 229 Cb 0.06 -2.10 0.02 0.00 -1.45 0.00 0.00 41.25 37.78 3kr5 s ASN 229 CO 0.14 -0.18 -0.02 0.68 -3.72 0.00 0.00 177.10 173.99 3kr5 s VAL 230 N 1.71 0.34 0.58 -5.21 -7.23 -1.26 -4.66 120.40 104.66 3kr5 s VAL 230 Ca 0.06 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.11 3kr5 s VAL 230 Cb -0.17 -0.38 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 3kr5 s VAL 230 CO 0.10 0.16 0.93 1.51 -0.31 0.00 0.00 175.10 177.49 3kr5 s ASP 231 N 0.76 6.01 0.13 4.85 1.47 -1.26 -4.83 116.67 123.80 3kr5 s ASP 231 Ca -0.09 1.06 -0.01 0.00 1.18 0.00 0.00 52.55 54.70 3kr5 s ASP 231 Cb -0.12 -2.17 0.29 0.00 -0.34 0.00 0.00 42.92 40.59 3kr5 s ASP 231 CO -0.01 -0.87 0.70 0.29 0.68 0.00 0.00 175.17 175.96 3kr5 n LYS 232 N -2.58 -0.04 0.08 2.11 5.02 -1.26 -1.37 118.16 120.13 3kr5 n LYS 232 Ca 0.04 0.68 -0.22 0.00 -2.02 0.00 0.00 58.31 56.79 3kr5 n LYS 232 Cb 0.56 -1.06 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 3kr5 n LYS 232 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3kr5 h ASN 233 N 0.00 0.84 -0.56 4.39 2.35 -1.92 -2.40 115.58 118.27 3kr5 h ASN 233 Ca 0.25 -0.83 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 3kr5 h ASN 233 Cb 0.47 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3kr5 h ASN 233 CO -0.43 1.58 0.16 0.25 -1.65 0.00 0.00 177.43 177.33 3kr5 h LEU 234 N 0.21 0.87 -0.75 1.61 5.85 -1.58 -0.73 115.31 120.78 3kr5 h LEU 234 Ca -0.18 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3kr5 h LEU 234 Cb 1.87 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3kr5 h LEU 234 CO 0.23 0.84 0.34 0.15 -0.34 0.00 0.00 178.44 179.65 3kr5 h PHE 235 N 0.89 1.11 -0.39 1.25 3.57 -1.22 0.36 116.94 122.51 3kr5 h PHE 235 Ca 0.19 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3kr5 h PHE 235 Cb 0.31 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3kr5 h PHE 235 CO 0.02 0.83 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.64 3kr5 h ARG 236 N 1.07 0.76 -0.44 1.11 2.43 -1.07 -1.68 114.38 116.56 3kr5 h ARG 236 Ca 0.26 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kr5 h ARG 236 Cb 0.16 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kr5 h ARG 236 CO -0.03 0.91 0.24 0.35 -1.51 0.00 0.00 179.97 179.93 3kr5 h PHE 237 N 0.67 0.60 -0.49 2.20 3.57 -0.28 0.51 116.94 123.73 3kr5 h PHE 237 Ca 0.10 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.67 3kr5 h PHE 237 Cb 0.70 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 3kr5 h PHE 237 CO 0.04 0.46 0.08 0.35 -2.23 0.00 0.00 178.31 177.00 3kr5 h PHE 238 N 0.58 0.12 -0.25 0.41 3.57 0.04 0.34 116.94 121.75 3kr5 h PHE 238 Ca 0.16 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3kr5 h PHE 238 Cb 0.05 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3kr5 h PHE 238 CO -0.02 -0.03 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.89 3kr5 h LEU 239 N 0.21 0.49 -1.40 0.59 3.38 -0.72 0.93 115.31 118.79 3kr5 h LEU 239 Ca 0.25 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3kr5 h LEU 239 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kr5 h LEU 239 CO -0.34 0.75 -0.13 -0.33 0.09 0.00 0.00 178.44 178.48 3kr5 h GLU 240 N 0.22 0.24 0.09 1.13 5.08 -0.38 0.32 114.58 121.28 3kr5 h GLU 240 Ca 0.06 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3kr5 h GLU 240 Cb 0.54 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3kr5 h GLU 240 CO 0.03 0.37 -0.64 1.15 -1.00 0.00 0.00 179.01 178.92 3kr5 h THR 241 N 0.23 1.54 -0.11 1.13 2.02 -0.17 -1.67 112.91 115.87 3kr5 h THR 241 Ca 0.05 -2.46 0.04 0.00 0.77 0.00 0.00 66.41 64.81 3kr5 h THR 241 Cb 0.37 3.19 -0.06 0.00 -1.74 0.00 0.00 68.15 69.91 3kr5 h THR 241 CO 0.02 0.67 -0.36 0.25 0.37 0.00 0.00 175.52 176.47 3kr5 h LEU 242 N -0.57 -1.11 -1.13 2.58 5.85 -0.42 0.71 115.31 121.21 3kr5 h LEU 242 Ca -0.12 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3kr5 h LEU 242 Cb 1.46 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 42.89 3kr5 h LEU 242 CO 0.09 -0.39 0.59 -0.26 -0.34 0.00 0.00 178.44 178.13 3kr5 h PHE 243 N -0.45 1.07 0.22 1.25 0.04 -0.46 -0.20 116.94 118.42 3kr5 h PHE 243 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3kr5 h PHE 243 Cb 0.58 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3kr5 h PHE 243 CO -0.43 0.58 -0.11 -0.92 -0.60 0.00 0.00 178.31 176.84 3kr5 h TYR 244 N 1.07 -0.28 -0.07 -0.55 3.20 -0.26 -2.86 116.97 117.23 3kr5 h TYR 244 Ca 0.38 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 3kr5 h TYR 244 Cb 0.13 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3kr5 h TYR 244 CO -0.00 0.10 -0.18 0.93 -1.64 0.00 0.00 178.16 177.37 3kr5 h GLU 245 N -0.89 0.11 -0.13 1.82 4.39 0.56 -3.08 114.58 117.36 3kr5 h GLU 245 Ca -0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3kr5 h GLU 245 Cb 0.50 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3kr5 h GLU 245 CO 0.05 0.30 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.28 3kr5 h TYR 246 N 0.11 0.25 -2.91 4.33 3.20 -1.10 -3.42 116.97 117.43 3kr5 h TYR 246 Ca 0.02 -0.04 -0.53 0.00 3.14 0.00 0.00 58.73 61.32 3kr5 h TYR 246 Cb 0.39 -0.06 0.04 0.00 1.54 0.00 0.00 36.73 38.64 3kr5 h TYR 246 CO 0.00 0.47 0.85 1.41 -1.64 0.00 0.00 178.16 179.25 3kr5 s MET 247 N -4.95 4.23 0.00 1.82 1.75 -1.08 -5.00 119.30 116.07 3kr5 s MET 247 Ca -0.14 2.33 0.07 0.00 -1.25 0.00 0.00 55.69 56.69 3kr5 s MET 247 Cb 0.05 -3.16 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 3kr5 s MET 247 CO 0.71 -0.57 -0.21 -0.08 -0.65 0.00 0.00 175.02 174.22 3kr5 s THR 248 N 1.00 2.52 -0.71 10.11 -1.32 -1.26 -4.95 115.64 121.03 3kr5 s THR 248 Ca 0.68 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.89 3kr5 s THR 248 Cb -0.43 -1.98 0.11 0.00 -1.51 0.00 0.00 72.50 68.70 3kr5 s THR 248 CO 0.33 0.48 0.87 -0.62 -2.21 0.00 0.00 174.62 173.46 3kr5 s ASP 249 N -0.98 6.34 0.00 8.08 -1.08 -1.26 -4.90 116.67 122.87 3kr5 s ASP 249 Ca 0.12 -1.60 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 3kr5 s ASP 249 Cb -0.10 -2.34 0.63 0.00 -1.46 0.00 0.00 42.92 39.64 3kr5 s ASP 249 CO 0.02 -1.13 1.53 -0.62 0.52 0.00 0.00 175.17 175.49 3kr5 n GLU 250 N 6.47 2.71 0.29 4.34 -0.58 -1.26 -4.62 120.64 127.99 3kr5 n GLU 250 Ca 0.02 -2.64 0.14 0.00 -0.42 0.00 0.00 57.16 54.26 3kr5 n GLU 250 Cb 0.45 -1.57 0.88 0.00 -0.57 0.00 0.00 31.44 30.63 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kr5 h ARG 251 N 4.34 0.00 -0.23 3.49 3.08 -1.97 -1.69 114.38 121.39 3kr5 h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kr5 h ARG 251 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3kr5 h ARG 251 CO 0.00 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.11 3kr5 n PHE 252 N -3.87 0.30 -3.26 3.04 3.01 -1.26 -4.94 117.46 110.48 3kr5 n PHE 252 Ca -0.03 -0.25 -0.34 0.00 1.01 0.00 0.00 57.45 57.84 3kr5 n PHE 252 Cb 0.10 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.10 4.03 0.00 -1.08 -0.14 -0.64 -5.27 119.74 115.54 3kr5 s LYS 253 Ca 0.23 0.59 0.29 0.00 -1.36 0.00 0.00 55.97 55.72 3kr5 s LYS 253 Cb 0.14 -2.78 1.33 0.00 -1.68 0.00 0.00 37.83 34.83 3kr5 s LYS 253 CO 0.19 0.37 1.90 -1.13 -0.76 0.00 0.00 175.35 175.93 3kr5 n SER 254 N 0.42 0.75 0.00 2.83 3.41 -1.26 -5.06 113.62 114.71 3kr5 n SER 254 Ca -0.02 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3kr5 n SER 254 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3kr5 n SER 254 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3kr5 n MET 261 N -0.54 0.00 0.00 4.33 0.00 -1.15 -5.19 117.12 114.57 3kr5 n MET 261 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.89 3kr5 n MET 261 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.48 3kr5 n MET 261 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3kr5 n GLU 262 N 0.00 0.00 -3.41 3.17 4.07 -1.17 -4.73 120.64 118.57 3kr5 n GLU 262 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 3kr5 n GLU 262 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 3kr5 n GLU 262 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3kr5 s TYR 263 N -2.00 3.70 0.52 4.31 2.02 -1.26 -4.85 117.35 119.79 3kr5 s TYR 263 Ca 0.00 1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 57.52 3kr5 s TYR 263 Cb 0.00 -2.39 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 3kr5 s TYR 263 CO 0.00 0.53 1.28 0.96 -1.57 0.00 0.00 175.55 176.75 3kr5 s ILE 264 N -0.74 2.48 -0.41 2.71 -4.36 -1.26 -4.94 121.20 114.68 3kr5 s ILE 264 Ca 0.25 0.36 0.22 0.00 -0.26 0.00 0.00 60.65 61.22 3kr5 s ILE 264 Cb -0.17 -3.18 -0.25 0.00 1.25 0.00 0.00 42.46 40.11 3kr5 s ILE 264 CO 0.14 -0.01 0.73 0.29 0.24 0.00 0.00 174.94 176.33 3kr5 n LYS 265 N -0.88 0.41 -4.55 0.37 4.76 -0.95 -4.62 118.16 112.69 3kr5 n LYS 265 Ca 0.10 -0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 3kr5 n LYS 265 Cb 0.46 -1.54 -0.15 0.00 -1.84 0.00 0.00 35.03 31.96 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kr5 s HIS 266 N -3.31 1.16 -0.20 2.13 3.76 -1.18 -0.53 115.29 117.12 3kr5 s HIS 266 Ca -0.01 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3kr5 s HIS 266 Cb 0.14 -0.77 0.03 0.00 1.11 0.00 0.00 32.58 33.10 3kr5 s HIS 266 CO 0.87 -0.06 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.38 3kr5 s LEU 267 N -0.11 2.45 -0.16 0.89 2.96 -0.68 -1.19 118.68 122.84 3kr5 s LEU 267 Ca 0.01 -0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 3kr5 s LEU 267 Cb -0.07 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 3kr5 s LEU 267 CO 0.00 -0.08 0.17 -0.83 -1.32 0.00 0.00 176.35 174.29 3kr5 s GLY 268 N 1.28 2.13 -0.06 7.98 0.00 0.36 0.21 107.32 119.22 3kr5 s GLY 268 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.16 3kr5 s GLY 268 CO -0.10 0.01 -0.23 0.14 0.00 0.00 0.00 173.10 172.91 3kr5 s VAL 269 N -0.18 1.94 -0.14 1.40 1.01 0.25 0.13 120.40 124.82 3kr5 s VAL 269 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3kr5 s VAL 269 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kr5 s VAL 269 CO 0.02 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.19 3kr5 s TYR 270 N -0.04 2.77 -0.15 5.22 1.51 -0.05 0.26 117.35 126.87 3kr5 s TYR 270 Ca -0.06 -0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 54.78 3kr5 s TYR 270 Cb -0.14 -1.86 0.10 0.00 -0.11 0.00 0.00 41.96 39.95 3kr5 s TYR 270 CO 0.04 -0.39 0.87 -1.50 -1.11 0.00 0.00 175.55 173.46 3kr5 s ILE 271 N 0.63 0.00 0.18 2.71 2.07 -0.86 -0.48 121.20 125.45 3kr5 s ILE 271 Ca -0.08 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 3kr5 s ILE 271 Cb -0.16 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.36 3kr5 s ILE 271 CO 0.03 0.00 1.06 0.21 -1.91 0.00 0.00 174.94 174.33 3kr5 s ASN 272 N -0.83 7.33 -0.40 4.50 2.47 -1.26 -2.29 114.94 124.46 3kr5 s ASN 272 Ca -0.04 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.28 3kr5 s ASN 272 Cb -0.01 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3kr5 s ASN 272 CO 0.03 -0.16 0.00 0.59 -3.72 0.00 0.00 177.10 173.84 3kr5 n ASN 273 N 2.31 -2.48 -0.11 -4.21 3.02 -1.26 -4.94 115.26 107.59 3kr5 n ASN 273 Ca 0.02 0.03 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 3kr5 n ASN 273 Cb 0.47 -1.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.23 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr5 n ALA 274 N -0.51 -0.05 0.30 5.41 0.00 -1.07 -0.27 120.51 124.31 3kr5 n ALA 274 Ca -0.05 0.28 0.19 0.00 0.00 0.00 0.00 53.44 53.85 3kr5 n ALA 274 Cb 0.42 -0.12 0.91 0.00 0.00 0.00 0.00 19.45 20.66 3kr5 n ALA 274 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kr5 h ASP 275 N 0.00 0.00 -0.08 0.00 3.32 -1.90 -0.15 116.42 117.61 3kr5 h ASP 275 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kr5 h ASP 275 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kr5 h ASP 275 CO -0.28 0.03 0.00 0.35 -1.72 0.00 0.00 179.24 177.62 3kr5 n THR 276 N -3.20 0.10 0.00 0.35 -2.24 0.62 -3.81 114.28 106.10 3kr5 n THR 276 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kr5 n THR 276 Cb 0.20 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3kr5 n THR 276 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kr5 n TYR 277 N -0.28 0.00 -0.17 4.78 4.01 -0.08 -4.73 117.16 120.69 3kr5 n TYR 277 Ca 0.14 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 3kr5 n TYR 277 Cb 0.17 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.59 0.00 -0.72 1.57 -1.62 -0.30 116.57 116.08 3kr5 h LYS 278 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kr5 h LYS 278 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3kr5 h LYS 278 CO 0.00 0.39 -0.01 1.05 -0.57 0.00 0.00 179.45 180.31 3kr5 h GLU 279 N 0.61 0.00 0.00 3.15 4.11 -1.84 -2.36 114.58 118.24 3kr5 h GLU 279 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.74 3kr5 h GLU 279 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kr5 h GLU 279 CO -0.12 0.01 -0.15 0.93 0.07 0.00 0.00 179.01 179.75 3kr5 h GLU 280 N 0.00 0.00 0.46 1.06 4.39 -1.37 -3.33 114.58 115.79 3kr5 h GLU 280 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3kr5 h GLU 280 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3kr5 h GLU 280 CO 0.00 0.15 -0.25 0.28 -1.16 0.00 0.00 179.01 178.03 3kr5 h VAL 281 N 0.00 0.48 0.00 3.13 2.07 -1.48 0.17 116.25 120.63 3kr5 h VAL 281 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3kr5 h VAL 281 Cb 0.93 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kr5 h VAL 281 CO 0.02 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 177.00 3kr5 h GLU 282 N -0.66 0.00 -0.30 1.57 4.39 -1.76 -1.54 114.58 116.29 3kr5 h GLU 282 Ca -0.06 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3kr5 h GLU 282 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3kr5 h GLU 282 CO 0.08 0.28 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.91 3kr5 h LYS 283 N 0.00 0.58 -0.93 2.33 3.64 -1.62 -1.74 116.57 118.83 3kr5 h LYS 283 Ca -0.00 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3kr5 h LYS 283 Cb 0.95 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 3kr5 h LYS 283 CO 0.04 0.77 0.60 0.00 -2.27 0.00 0.00 179.45 178.59 3kr5 h ALA 284 N 0.78 1.22 -0.51 5.00 0.00 -0.26 0.13 119.26 125.63 3kr5 h ALA 284 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kr5 h ALA 284 Cb 0.57 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kr5 h ALA 284 CO 0.03 0.48 -0.15 -0.09 0.00 0.00 0.00 179.25 179.52 3kr5 h ARG 285 N 1.18 0.98 -0.27 0.00 2.43 -1.11 0.62 114.38 118.22 3kr5 h ARG 285 Ca 0.37 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3kr5 h ARG 285 Cb -0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kr5 h ARG 285 CO -0.12 1.05 0.02 0.28 -1.51 0.00 0.00 179.97 179.70 3kr5 h VAL 286 N 0.86 1.24 -0.60 0.20 2.07 -0.89 -1.65 116.25 117.49 3kr5 h VAL 286 Ca 0.13 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3kr5 h VAL 286 Cb 0.71 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3kr5 h VAL 286 CO 0.05 0.27 0.34 1.88 0.02 0.00 0.00 177.57 180.13 3kr5 h TYR 287 N 0.25 0.81 -0.30 1.57 -1.99 -0.43 0.22 116.97 117.10 3kr5 h TYR 287 Ca 0.08 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.87 3kr5 h TYR 287 Cb 0.37 -0.26 -0.08 0.00 2.00 0.00 0.00 36.73 38.77 3kr5 h TYR 287 CO 0.03 0.57 -0.22 -0.92 -0.00 0.00 0.00 178.16 177.62 3kr5 h TYR 288 N 0.81 -0.56 -0.15 4.88 3.20 0.40 -1.20 116.97 124.35 3kr5 h TYR 288 Ca 0.21 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.95 3kr5 h TYR 288 Cb 0.02 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3kr5 h TYR 288 CO -0.01 -0.29 -0.63 0.35 -1.64 0.00 0.00 178.16 175.93 3kr5 h PHE 289 N -0.19 0.71 -0.21 -3.82 3.57 -0.52 0.38 116.94 116.85 3kr5 h PHE 289 Ca 0.16 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.44 3kr5 h PHE 289 Cb 0.43 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 3kr5 h PHE 289 CO -0.40 1.03 -0.23 0.78 -2.23 0.00 0.00 178.31 177.26 3kr5 h GLY 290 N 1.06 -0.17 0.94 2.40 0.00 -0.79 0.59 103.07 107.10 3kr5 h GLY 290 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3kr5 h GLY 290 CO 0.12 -0.19 0.12 -0.84 0.00 0.00 0.00 176.54 175.74 3kr5 h THR 291 N -0.25 1.12 -0.32 4.70 2.02 -0.80 -1.13 112.91 118.25 3kr5 h THR 291 Ca 0.13 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3kr5 h THR 291 Cb 0.45 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3kr5 h THR 291 CO -0.36 0.11 -0.14 0.22 0.37 0.00 0.00 175.52 175.73 3kr5 h TYR 292 N 0.24 0.62 -0.61 3.16 3.20 0.01 0.29 116.97 123.88 3kr5 h TYR 292 Ca 0.08 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3kr5 h TYR 292 Cb 0.08 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3kr5 h TYR 292 CO -0.03 0.68 0.26 -0.92 -1.64 0.00 0.00 178.16 176.51 3kr5 h TYR 293 N 0.52 0.91 -0.11 -3.82 3.20 0.42 0.69 116.97 118.79 3kr5 h TYR 293 Ca 0.09 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3kr5 h TYR 293 Cb 0.55 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3kr5 h TYR 293 CO 0.02 0.71 0.05 0.00 -1.64 0.00 0.00 178.16 177.31 3kr5 h ALA 294 N 1.10 0.14 -0.76 1.82 0.00 -0.69 -2.26 119.26 118.61 3kr5 h ALA 294 Ca 0.20 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3kr5 h ALA 294 Cb 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 3kr5 h ALA 294 CO -0.02 -0.30 0.17 1.03 0.00 0.00 0.00 179.25 180.13 3kr5 h SER 295 N 0.05 -0.02 -0.66 0.00 0.87 -0.72 0.47 113.55 113.53 3kr5 h SER 295 Ca 0.04 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3kr5 h SER 295 Cb 0.12 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3kr5 h SER 295 CO -0.00 -0.07 0.32 1.56 -0.53 0.00 0.00 176.83 178.11 3kr5 h GLN 296 N 0.25 0.94 -0.37 2.24 4.20 -0.42 0.72 115.11 122.67 3kr5 h GLN 296 Ca 0.43 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 3kr5 h GLN 296 Cb 0.76 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3kr5 h GLN 296 CO -0.54 0.75 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.28 3kr5 h LEU 297 N 0.91 0.66 0.25 1.46 3.38 -0.64 -1.62 115.31 119.70 3kr5 h LEU 297 Ca 0.23 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kr5 h LEU 297 Cb 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kr5 h LEU 297 CO -0.03 0.82 -0.12 0.40 0.09 0.00 0.00 178.44 179.60 3kr5 h ILE 298 N 0.48 0.80 -0.36 1.22 2.04 -0.56 -2.94 117.51 118.20 3kr5 h ILE 298 Ca 0.10 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3kr5 h ILE 298 Cb 0.49 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3kr5 h ILE 298 CO 0.02 0.07 0.24 0.00 0.00 0.00 0.00 178.15 178.48 3kr5 h ALA 299 N 0.20 1.87 -2.12 1.87 0.00 -0.85 -3.41 119.26 116.82 3kr5 h ALA 299 Ca -0.03 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 3kr5 h ALA 299 Cb 0.37 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.10 3kr5 h ALA 299 CO 0.06 0.09 0.96 0.00 0.00 0.00 0.00 179.25 180.35 3kr5 n ALA 300 N -2.51 1.03 -0.98 0.00 0.00 -0.61 -4.93 120.51 112.52 3kr5 n ALA 300 Ca 0.03 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 3kr5 n ALA 300 Cb 0.15 -2.43 0.17 0.00 0.00 0.00 0.00 19.45 17.34 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 2.68 0.73 0.47 0.00 0.02 -1.26 -4.51 135.00 133.13 3kr5 s PRO 301 Ca 0.87 0.94 0.29 0.00 0.02 0.00 0.00 61.00 63.13 3kr5 s PRO 301 Cb -0.70 -1.74 1.03 0.00 0.02 0.00 0.00 34.50 33.12 3kr5 s PRO 301 CO 0.46 -2.64 1.85 0.77 -0.33 0.00 0.00 177.00 177.11 3kr5 h SER 302 N -1.84 0.00 0.43 2.53 0.02 -1.80 0.57 113.55 113.45 3kr5 h SER 302 Ca -0.51 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 3kr5 h SER 302 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3kr5 h SER 302 CO 0.51 0.00 -0.47 -0.55 -1.14 0.00 0.00 176.83 175.19 3kr5 h ASN 303 N 0.00 0.05 0.00 3.07 -1.07 -1.93 -3.29 115.58 112.41 3kr5 h ASN 303 Ca 0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 56.30 56.22 3kr5 h ASN 303 Cb 0.63 -0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.85 3kr5 h ASN 303 CO 0.00 0.51 -0.71 1.88 0.07 0.00 0.00 177.43 179.18 3kr5 h TYR 304 N 0.04 0.00 -3.33 4.14 0.05 -1.60 -3.41 116.97 112.86 3kr5 h TYR 304 Ca -0.00 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.02 3kr5 h TYR 304 Cb 0.84 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.35 3kr5 h TYR 304 CO 0.00 1.19 0.15 0.00 -1.05 0.00 0.00 178.16 178.46 3kr5 s ASN 306 N 2.88 4.07 0.30 0.00 2.20 -1.24 -4.30 114.94 118.85 3kr5 s ASN 306 Ca 0.16 -1.53 0.02 0.00 -0.94 0.00 0.00 52.86 50.58 3kr5 s ASN 306 Cb -0.15 0.18 0.59 0.00 -2.00 0.00 0.00 41.25 39.86 3kr5 s ASN 306 CO -0.04 -0.72 1.88 -0.65 -2.94 0.00 0.00 177.10 174.63 3kr5 h PRO 307 N 1.47 0.93 -0.00 3.55 0.11 -1.87 0.46 132.00 136.65 3kr5 h PRO 307 Ca -0.44 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kr5 h PRO 307 Cb 1.29 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kr5 h PRO 307 CO 0.76 0.62 -0.00 0.28 -0.21 0.00 0.00 178.00 179.44 3kr5 h VAL 308 N 0.96 1.40 -0.53 3.15 2.07 -1.94 -1.83 116.25 119.54 3kr5 h VAL 308 Ca 0.44 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3kr5 h VAL 308 Cb 0.39 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3kr5 h VAL 308 CO -0.20 0.31 -0.09 0.77 0.02 0.00 0.00 177.57 178.38 3kr5 h SER 309 N -0.49 0.96 0.47 0.57 4.64 -1.77 0.08 113.55 118.00 3kr5 h SER 309 Ca 0.00 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3kr5 h SER 309 Cb 0.50 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3kr5 h SER 309 CO 0.00 1.07 -0.27 0.25 -0.87 0.00 0.00 176.83 177.01 3kr5 h LEU 310 N 0.87 -0.65 -1.36 5.97 6.46 -0.13 0.01 115.31 126.48 3kr5 h LEU 310 Ca 0.14 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3kr5 h LEU 310 Cb 0.63 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 3kr5 h LEU 310 CO 0.04 -0.43 0.28 0.77 -0.62 0.00 0.00 178.44 178.49 3kr5 h SER 311 N -0.69 0.64 -0.41 1.25 4.64 -1.26 -0.68 113.55 117.04 3kr5 h SER 311 Ca -0.06 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3kr5 h SER 311 Cb 0.55 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3kr5 h SER 311 CO 0.07 0.52 0.12 0.78 -0.87 0.00 0.00 176.83 177.45 3kr5 h ASN 312 N 0.73 0.10 -0.72 4.97 2.35 -0.64 -0.95 115.58 121.42 3kr5 h ASN 312 Ca 0.19 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3kr5 h ASN 312 Cb 0.02 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3kr5 h ASN 312 CO -0.03 0.09 0.47 0.00 -1.65 0.00 0.00 177.43 176.31 3kr5 h ALA 313 N 1.28 0.92 -0.54 -0.83 0.00 0.08 0.40 119.26 120.57 3kr5 h ALA 313 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kr5 h ALA 313 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 313 CO -0.22 0.31 0.33 0.00 0.00 0.00 0.00 179.25 179.68 3kr5 h ALA 314 N 1.28 0.69 -0.37 0.00 0.00 -0.83 0.22 119.26 120.25 3kr5 h ALA 314 Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kr5 h ALA 314 Cb -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3kr5 h ALA 314 CO -0.07 0.16 0.13 0.28 0.00 0.00 0.00 179.25 179.75 3kr5 h VAL 315 N 0.73 0.90 -0.47 0.00 2.07 -0.67 0.21 116.25 119.01 3kr5 h VAL 315 Ca 0.20 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3kr5 h VAL 315 Cb -0.03 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3kr5 h VAL 315 CO -0.04 0.05 0.28 -0.08 0.02 0.00 0.00 177.57 177.81 3kr5 h GLU 316 N 0.28 0.55 -0.47 1.57 4.81 -0.44 -0.28 114.58 120.60 3kr5 h GLU 316 Ca 0.17 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kr5 h GLU 316 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kr5 h GLU 316 CO -0.17 0.36 0.28 1.25 -0.73 0.00 0.00 179.01 180.00 3kr5 h LEU 317 N 0.56 0.57 -0.84 1.64 5.85 -0.06 -1.17 115.31 121.86 3kr5 h LEU 317 Ca 0.19 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3kr5 h LEU 317 Cb 0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3kr5 h LEU 317 CO -0.09 0.46 0.52 0.00 -0.34 0.00 0.00 178.44 179.00 3kr5 h ALA 318 N 1.13 1.13 -0.47 1.25 0.00 -0.34 -1.20 119.26 120.76 3kr5 h ALA 318 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3kr5 h ALA 318 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kr5 h ALA 318 CO -0.03 0.30 0.04 1.96 0.00 0.00 0.00 179.25 181.51 3kr5 h GLN 319 N 0.98 0.80 0.00 0.00 4.20 -0.71 0.13 115.11 120.51 3kr5 h GLN 319 Ca 0.35 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3kr5 h GLN 319 Cb 0.11 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kr5 h GLN 319 CO -0.15 0.83 -0.15 0.87 -0.67 0.00 0.00 178.83 179.57 3kr5 h LYS 320 N 0.66 0.00 -0.29 1.46 1.57 -0.90 -2.99 116.57 116.09 3kr5 h LYS 320 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kr5 h LYS 320 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kr5 h LYS 320 CO 0.02 0.15 0.00 1.28 -0.57 0.00 0.00 179.45 180.32 3kr5 n LEU 321 N -3.73 2.91 -3.10 2.94 4.77 -0.48 -4.97 117.00 115.33 3kr5 n LEU 321 Ca -0.02 -1.55 -0.23 0.00 -0.03 0.00 0.00 56.01 54.19 3kr5 n LEU 321 Cb 0.26 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3kr5 n LEU 321 CO 0.31 0.65 -0.00 0.59 -1.33 0.00 0.00 177.39 177.61 3kr5 n ASN 322 N 0.96 -5.70 -4.86 -1.43 5.03 -0.01 -4.92 115.26 104.33 3kr5 n ASN 322 Ca 0.14 -0.31 -0.34 0.00 0.87 0.00 0.00 54.58 54.93 3kr5 n ASN 322 Cb 0.46 -4.61 -0.05 0.00 -1.02 0.00 0.00 39.78 34.55 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kr5 s LEU 323 N -6.67 4.29 0.38 3.41 1.43 0.25 -5.01 118.68 116.76 3kr5 s LEU 323 Ca 0.33 0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 54.09 3kr5 s LEU 323 Cb -0.15 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 3kr5 s LEU 323 CO 0.41 0.07 1.23 -1.61 0.23 0.00 0.00 176.35 176.69 3kr5 s GLU 324 N -2.22 4.11 0.04 1.70 8.01 -0.68 -4.57 118.70 125.10 3kr5 s GLU 324 Ca 0.39 2.01 -0.06 0.00 0.01 0.00 0.00 54.97 57.32 3kr5 s GLU 324 Cb -0.13 -2.81 -0.01 0.00 -4.31 0.00 0.00 34.13 26.87 3kr5 s GLU 324 CO 0.20 -0.32 0.12 1.52 0.01 0.00 0.00 175.26 176.78 3kr5 s TYR 325 N -1.29 0.18 -0.15 1.61 -0.85 -1.26 -0.10 117.35 115.49 3kr5 s TYR 325 Ca 0.55 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 56.51 3kr5 s TYR 325 Cb -0.35 -0.13 0.05 0.00 0.38 0.00 0.00 41.96 41.91 3kr5 s TYR 325 CO 0.45 -0.39 0.36 0.21 -1.52 0.00 0.00 175.55 174.66 3kr5 s LYS 326 N -2.76 0.37 -0.23 -3.49 2.20 0.25 -5.00 119.74 111.09 3kr5 s LYS 326 Ca -0.04 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.19 3kr5 s LYS 326 Cb -0.00 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3kr5 s LYS 326 CO -0.05 -0.12 -0.07 0.42 -0.36 0.00 0.00 175.35 175.17 3kr5 s ILE 327 N 0.97 3.05 -0.19 5.43 -1.09 -1.26 -1.20 121.20 126.91 3kr5 s ILE 327 Ca -0.06 -0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 57.40 3kr5 s ILE 327 Cb -0.07 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 3kr5 s ILE 327 CO -0.08 0.35 0.67 -0.76 -1.23 0.00 0.00 174.94 173.90 3kr5 s LEU 328 N 1.40 4.15 0.63 2.97 1.02 0.57 -4.86 118.68 124.56 3kr5 s LEU 328 Ca 0.04 0.90 0.04 0.00 0.02 0.00 0.00 54.13 55.13 3kr5 s LEU 328 Cb -0.15 -2.96 0.09 0.00 0.02 0.00 0.00 46.19 43.19 3kr5 s LEU 328 CO -0.05 -0.30 0.86 -0.83 0.02 0.00 0.00 176.35 176.06 3kr5 s GLY 329 N 1.19 1.77 0.17 -3.19 0.00 -1.26 -0.58 107.32 105.42 3kr5 s GLY 329 Ca 0.31 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 3kr5 s GLY 329 CO 0.11 -1.35 1.64 -2.08 0.00 0.00 0.00 173.10 171.42 3kr5 h VAL 330 N -0.12 0.45 -0.56 1.40 2.07 -1.95 0.60 116.25 118.14 3kr5 h VAL 330 Ca -0.35 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3kr5 h VAL 330 Cb 1.28 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 3kr5 h VAL 330 CO 0.42 0.00 0.07 0.11 0.02 0.00 0.00 177.57 178.19 3kr5 h LYS 331 N -0.10 0.19 -0.50 1.57 6.56 -1.95 0.25 116.57 122.60 3kr5 h LYS 331 Ca 0.20 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.67 3kr5 h LYS 331 Cb 0.40 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 3kr5 h LYS 331 CO -0.47 0.13 -0.12 0.93 -2.06 0.00 0.00 179.45 177.86 3kr5 h GLU 332 N 0.20 0.96 -0.96 3.15 5.08 -1.70 -1.76 114.58 119.54 3kr5 h GLU 332 Ca 0.29 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3kr5 h GLU 332 Cb 0.43 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3kr5 h GLU 332 CO -0.41 1.03 0.62 -0.07 -1.00 0.00 0.00 179.01 179.19 3kr5 h LEU 333 N 0.82 1.11 -0.44 1.33 3.38 0.34 -0.07 115.31 121.78 3kr5 h LEU 333 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 333 Cb 0.68 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kr5 h LEU 333 CO 0.05 0.81 0.04 -0.33 0.09 0.00 0.00 178.44 179.10 3kr5 h GLU 334 N 1.30 0.75 -0.17 1.13 5.08 -0.35 -1.05 114.58 121.27 3kr5 h GLU 334 Ca 0.35 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kr5 h GLU 334 Cb -0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3kr5 h GLU 334 CO -0.07 0.79 -0.03 0.93 -1.00 0.00 0.00 179.01 179.63 3kr5 h GLU 335 N 0.60 0.25 -0.00 2.33 5.08 -0.77 0.15 114.58 122.21 3kr5 h GLU 335 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kr5 h GLU 335 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3kr5 h GLU 335 CO 0.01 0.31 -0.06 1.28 -1.00 0.00 0.00 179.01 179.55 3kr5 n LEU 336 N -4.36 0.26 -3.06 1.33 4.77 -0.09 -4.94 117.00 110.91 3kr5 n LEU 336 Ca -0.00 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 3kr5 n LEU 336 Cb 0.20 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 3kr5 n LEU 336 CO 0.37 0.05 0.20 0.29 -1.33 0.00 0.00 177.39 176.96 3kr5 n LYS 337 N -1.08 -6.57 -2.05 3.23 5.02 0.04 -4.68 118.16 112.06 3kr5 n LYS 337 Ca 0.15 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 3kr5 n LYS 337 Cb 0.25 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -4.24 3.46 0.11 1.97 2.81 -0.78 -1.93 117.12 118.53 3kr5 n MET 338 Ca 0.00 -3.15 -0.03 0.00 -1.81 0.00 0.00 57.70 52.71 3kr5 n MET 338 Cb 0.55 -3.01 0.11 0.00 -0.71 0.00 0.00 33.22 30.17 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 8.30 0.07 0.65 3.03 0.00 -1.77 0.31 103.07 113.66 3kr5 h GLY 339 Ca 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3kr5 h GLY 339 CO 1.71 0.09 -0.00 0.00 0.00 0.00 0.00 176.54 178.33 3kr5 h ALA 340 N 1.27 0.02 -0.10 3.60 0.00 -1.84 -0.90 119.26 121.31 3kr5 h ALA 340 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kr5 h ALA 340 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kr5 h ALA 340 CO 0.09 -0.29 0.05 -0.92 0.00 0.00 0.00 179.25 178.18 3kr5 h TYR 341 N -0.33 0.14 -0.10 0.00 3.20 -1.62 -2.63 116.97 115.64 3kr5 h TYR 341 Ca 0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kr5 h TYR 341 Cb 0.37 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3kr5 h TYR 341 CO 0.05 0.20 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.53 3kr5 h LEU 342 N 0.04 0.15 -0.95 2.82 3.38 -0.96 -2.59 115.31 117.19 3kr5 h LEU 342 Ca 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 342 Cb 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kr5 h LEU 342 CO -0.00 0.34 0.31 0.28 0.09 0.00 0.00 178.44 179.46 3kr5 h SER 343 N 0.15 0.97 -0.65 -0.43 0.02 -0.78 -2.35 113.55 110.49 3kr5 h SER 343 Ca 0.03 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 3kr5 h SER 343 Cb 0.40 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3kr5 h SER 343 CO 0.03 0.85 0.10 0.58 -1.14 0.00 0.00 176.83 177.24 3kr5 h VAL 344 N 1.05 1.26 0.00 2.27 2.07 -1.34 -2.77 116.25 118.80 3kr5 h VAL 344 Ca 0.25 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kr5 h VAL 344 Cb 0.17 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3kr5 h VAL 344 CO -0.02 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.56 3kr5 n GLY 345 N -0.55 -1.44 0.36 2.17 0.00 -1.02 -4.16 105.19 100.55 3kr5 n GLY 345 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.71 -0.00 1.61 1.57 -1.13 0.10 116.57 119.44 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 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kr5 h LYS 346 CO 0.00 0.47 -0.00 0.41 -0.57 0.00 0.00 179.45 179.76 3kr5 n GLY 347 N -1.36 -1.18 3.89 3.86 0.00 -1.24 -4.49 105.19 104.66 3kr5 n GLY 347 Ca 0.22 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.38 6.56 0.08 1.61 0.15 0.35 -4.55 113.70 115.51 3kr5 s SER 348 Ca 0.35 0.80 0.28 0.00 0.70 0.00 0.00 55.95 58.08 3kr5 s SER 348 Cb 0.21 -2.18 1.08 0.00 -1.71 0.00 0.00 66.02 63.42 3kr5 s SER 348 CO 0.43 -0.07 1.87 1.15 1.20 0.00 0.00 173.24 177.82 3kr5 n MET 349 N -0.24 0.09 -3.66 5.44 0.00 -1.26 -4.71 117.12 112.78 3kr5 n MET 349 Ca -0.01 0.08 -0.37 0.00 0.00 0.00 0.00 57.70 57.41 3kr5 n MET 349 Cb 0.53 -1.61 -0.10 0.00 0.00 0.00 0.00 33.22 32.04 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 -3.04 3.31 0.42 3.17 1.51 -1.26 -4.89 117.35 116.58 3kr5 s TYR 350 Ca 0.13 0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 56.15 3kr5 s TYR 350 Cb 0.16 -2.27 -0.09 0.00 -0.11 0.00 0.00 41.96 39.66 3kr5 s TYR 350 CO 0.55 0.06 1.37 -2.14 -1.11 0.00 0.00 175.55 174.28 3kr5 s PRO 351 N 1.07 3.85 0.33 -1.71 0.02 -1.26 -4.79 135.00 132.51 3kr5 s PRO 351 Ca 0.07 2.30 -0.28 0.00 0.02 0.00 0.00 61.00 63.12 3kr5 s PRO 351 Cb -0.14 -2.73 -0.13 0.00 0.02 0.00 0.00 34.50 31.53 3kr5 s PRO 351 CO 0.05 -0.64 1.22 0.09 -0.33 0.00 0.00 177.00 177.38 3kr5 n ASN 352 N 0.01 2.38 -3.90 2.53 4.13 -1.26 -4.52 115.26 114.63 3kr5 n ASN 352 Ca 0.04 1.20 -0.23 0.00 1.68 0.00 0.00 54.58 57.27 3kr5 n ASN 352 Cb 0.42 -1.44 -0.17 0.00 -1.54 0.00 0.00 39.78 37.06 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 -1.81 1.13 -0.24 3.52 -0.14 -0.60 -3.91 119.74 117.69 3kr5 s LYS 353 Ca 0.56 -0.16 -0.07 0.00 -1.36 0.00 0.00 55.97 54.94 3kr5 s LYS 353 Cb -0.60 -1.14 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 3kr5 s LYS 353 CO 0.62 -0.14 0.05 0.12 -0.76 0.00 0.00 175.35 175.23 3kr5 s PHE 354 N 1.22 3.07 -0.19 3.18 2.19 0.25 -0.50 117.98 127.20 3kr5 s PHE 354 Ca -0.06 -0.47 -0.16 0.00 0.33 0.00 0.00 56.93 56.57 3kr5 s PHE 354 Cb -0.14 -2.19 -0.04 0.00 -1.31 0.00 0.00 43.02 39.34 3kr5 s PHE 354 CO -0.02 -0.34 0.41 0.42 1.83 0.00 0.00 175.22 177.53 3kr5 s ILE 355 N 1.45 5.19 -0.31 3.12 1.01 0.17 -0.31 121.20 131.51 3kr5 s ILE 355 Ca 0.05 0.75 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 3kr5 s ILE 355 Cb -0.15 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.68 3kr5 s ILE 355 CO 0.02 0.26 0.09 -2.28 0.00 0.00 0.00 174.94 173.03 3kr5 s HIS 356 N 1.23 1.94 0.06 3.97 2.46 -0.34 -1.06 115.29 123.55 3kr5 s HIS 356 Ca 0.20 -1.87 0.02 0.00 0.47 0.00 0.00 55.06 53.88 3kr5 s HIS 356 Cb -0.15 -1.85 -0.04 0.00 -0.13 0.00 0.00 32.58 30.42 3kr5 s HIS 356 CO 0.08 -0.88 0.11 -0.51 -2.47 0.00 0.00 174.74 171.06 3kr5 s LEU 357 N 1.54 3.93 -0.05 8.88 1.43 0.47 -0.58 118.68 134.29 3kr5 s LEU 357 Ca 0.10 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3kr5 s LEU 357 Cb -0.17 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3kr5 s LEU 357 CO -0.23 0.19 -0.06 -0.89 0.23 0.00 0.00 176.35 175.59 3kr5 s THR 358 N -1.39 0.63 -0.17 5.49 2.01 0.85 0.81 115.64 123.88 3kr5 s THR 358 Ca 0.30 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 3kr5 s THR 358 Cb -0.12 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3kr5 s THR 358 CO 0.22 0.25 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.87 3kr5 s TYR 359 N 0.92 2.94 -0.05 4.92 5.04 0.95 -1.69 117.35 130.39 3kr5 s TYR 359 Ca -0.11 -0.57 0.07 0.00 -2.44 0.00 0.00 57.07 54.01 3kr5 s TYR 359 Cb -0.14 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 3kr5 s TYR 359 CO 0.00 -0.23 -0.25 0.21 -1.34 0.00 0.00 175.55 173.94 3kr5 s LYS 360 N 0.69 2.42 0.69 4.97 2.20 -1.26 0.01 119.74 129.45 3kr5 s LYS 360 Ca -0.03 -0.91 -0.11 0.00 -0.36 0.00 0.00 55.97 54.56 3kr5 s LYS 360 Cb -0.15 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 3kr5 s LYS 360 CO 0.02 0.43 1.06 -1.12 -0.36 0.00 0.00 175.35 175.38 3kr5 s SER 361 N -0.29 5.40 0.09 1.43 0.01 -0.17 -4.98 113.70 115.19 3kr5 s SER 361 Ca 0.00 1.65 -0.18 0.00 1.31 0.00 0.00 55.95 58.73 3kr5 s SER 361 Cb -0.13 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.53 3kr5 s SER 361 CO 0.02 -1.43 1.51 0.07 0.41 0.00 0.00 173.24 173.82 3kr5 h LYS 362 N -0.59 0.49 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.55 3kr5 h LYS 362 Ca -0.44 -0.17 0.00 0.00 -0.00 0.00 0.00 60.65 60.04 3kr5 h LYS 362 Cb 1.21 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3kr5 h LYS 362 CO 0.57 0.67 0.00 0.41 -0.00 0.00 0.00 179.45 181.10 3kr5 n GLY 363 N -0.26 -1.49 3.77 0.07 0.00 -1.26 -4.96 105.19 101.06 3kr5 n GLY 363 Ca -0.03 -1.51 -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 0.99 0.00 0.00 0.00 173.32 174.31 3kr5 s ASP 364 N -1.27 6.76 -0.24 1.61 -0.00 -1.26 -4.81 116.67 117.47 3kr5 s ASP 364 Ca 0.00 2.69 -0.21 0.00 -0.00 0.00 0.00 52.55 55.03 3kr5 s ASP 364 Cb 0.00 -2.65 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 3kr5 s ASP 364 CO 0.00 -0.55 0.65 -0.69 -0.00 0.00 0.00 175.17 174.58 3kr5 s VAL 365 N -1.06 4.98 -0.04 -1.27 1.01 -1.26 -3.77 120.40 118.99 3kr5 s VAL 365 Ca 0.50 1.18 0.13 0.00 0.00 0.00 0.00 61.98 63.79 3kr5 s VAL 365 Cb -0.40 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 31.83 3kr5 s VAL 365 CO 0.52 0.04 0.30 0.29 0.00 0.00 0.00 175.10 176.25 3kr5 n LYS 366 N 5.57 0.49 -3.76 2.72 5.02 0.11 -4.97 118.16 123.34 3kr5 n LYS 366 Ca -0.00 -0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 3kr5 n LYS 366 Cb 0.49 -1.31 -0.15 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.89 0.04 -0.15 1.97 2.47 -0.87 -5.04 119.74 115.27 3kr5 s LYS 367 Ca -0.04 0.30 -0.01 0.00 -1.56 0.00 0.00 55.97 54.65 3kr5 s LYS 367 Cb 0.09 -0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 36.23 3kr5 s LYS 367 CO 0.55 -0.17 -0.11 0.15 0.16 0.00 0.00 175.35 175.93 3kr5 s LYS 368 N 1.13 3.38 -0.05 4.03 1.02 -1.26 -0.78 119.74 127.21 3kr5 s LYS 368 Ca -0.09 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.26 3kr5 s LYS 368 Cb -0.12 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 3kr5 s LYS 368 CO -0.05 0.12 -0.15 0.42 -0.92 0.00 0.00 175.35 174.78 3kr5 s ILE 369 N 0.60 1.27 -0.24 2.17 1.01 0.53 0.11 121.20 126.66 3kr5 s ILE 369 Ca -0.07 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 3kr5 s ILE 369 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 3kr5 s ILE 369 CO 0.03 0.38 0.07 0.00 0.00 0.00 0.00 174.94 175.41 3kr5 s ALA 370 N 0.33 3.19 -0.29 9.38 0.00 0.50 -0.44 121.76 134.44 3kr5 s ALA 370 Ca -0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 3kr5 s ALA 370 Cb -0.13 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 3kr5 s ALA 370 CO 0.03 -0.36 0.14 -0.51 0.00 0.00 0.00 175.76 175.06 3kr5 s LEU 371 N 1.38 3.91 -0.21 0.00 1.43 0.27 -0.87 118.68 124.59 3kr5 s LEU 371 Ca 0.05 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3kr5 s LEU 371 Cb -0.15 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3kr5 s LEU 371 CO 0.03 -0.12 -0.06 -0.69 0.23 0.00 0.00 176.35 175.74 3kr5 s VAL 372 N 1.64 3.25 -0.09 -1.59 1.01 0.37 0.71 120.40 125.69 3kr5 s VAL 372 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3kr5 s VAL 372 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3kr5 s VAL 372 CO 0.06 0.44 -0.05 -0.83 0.00 0.00 0.00 175.10 174.73 3kr5 s GLY 373 N 1.38 1.73 0.12 4.51 0.00 0.31 0.16 107.32 115.53 3kr5 s GLY 373 Ca 0.05 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.60 3kr5 s GLY 373 CO -0.04 -0.50 1.47 1.25 0.00 0.00 0.00 173.10 175.29 3kr5 s LYS 374 N -0.54 4.27 -0.48 2.90 2.20 -0.39 -4.18 119.74 123.52 3kr5 s LYS 374 Ca 0.08 2.19 0.08 0.00 -0.36 0.00 0.00 55.97 57.97 3kr5 s LYS 374 Cb -0.12 -3.26 0.32 0.00 -1.51 0.00 0.00 37.83 33.26 3kr5 s LYS 374 CO 0.02 -0.53 0.79 0.41 -0.36 0.00 0.00 175.35 175.68 3kr5 n GLY 375 N 3.64 4.40 3.50 5.54 0.00 -1.25 -1.14 105.19 119.87 3kr5 n GLY 375 Ca 0.13 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.04 4.95 0.21 -0.61 -1.09 -0.77 -1.30 121.20 119.53 3kr5 s ILE 376 Ca 0.43 -0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.78 3kr5 s ILE 376 Cb 0.28 -4.14 -0.10 0.00 -1.58 0.00 0.00 42.46 36.92 3kr5 s ILE 376 CO -0.10 -0.54 1.47 0.71 -1.23 0.00 0.00 174.94 175.26 3kr5 h THR 377 N 5.81 1.53 -3.38 2.92 1.35 -1.32 -0.50 112.91 119.32 3kr5 h THR 377 Ca -0.26 -2.58 -0.19 0.00 -0.55 0.00 0.00 66.41 62.83 3kr5 h THR 377 Cb 1.10 2.40 -0.26 0.00 -1.73 0.00 0.00 68.15 69.66 3kr5 h THR 377 CO 0.85 0.74 -0.54 0.12 -0.25 0.00 0.00 175.52 176.44 3kr5 s PHE 378 N -3.29 -0.15 -0.41 4.73 5.36 -1.26 -4.30 117.98 118.66 3kr5 s PHE 378 Ca -0.01 0.38 0.04 0.00 -0.96 0.00 0.00 56.93 56.37 3kr5 s PHE 378 Cb 0.11 0.05 0.11 0.00 -0.34 0.00 0.00 43.02 42.96 3kr5 s PHE 378 CO 0.79 -0.09 0.13 0.34 -1.46 0.00 0.00 175.22 174.93 3kr5 s ASP 379 N 0.00 4.64 0.34 6.13 2.15 -1.15 -0.94 116.67 127.84 3kr5 s ASP 379 Ca -0.01 -2.45 0.24 0.00 0.43 0.00 0.00 52.55 50.77 3kr5 s ASP 379 Cb -0.01 -1.64 0.51 0.00 -0.30 0.00 0.00 42.92 41.47 3kr5 s ASP 379 CO 0.00 -0.34 1.65 0.77 -0.17 0.00 0.00 175.17 177.09 3kr5 h SER 380 N 7.25 0.00 0.00 -0.34 4.64 -1.46 -3.45 113.55 120.19 3kr5 h SER 380 Ca -0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3kr5 h SER 380 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3kr5 h SER 380 CO 0.58 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3kr5 n GLY 381 N 1.19 2.96 7.00 -0.77 0.00 -1.26 -1.27 105.19 113.04 3kr5 n GLY 381 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.07 -0.38 0.36 -0.02 0.00 -1.26 -1.50 105.19 101.31 3kr5 n GLY 382 Ca 0.00 -1.09 0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 0.29 0.00 1.61 0.05 -1.81 -0.36 116.97 116.76 3kr5 h TYR 383 Ca 0.00 0.01 -0.49 0.00 0.05 0.00 0.00 58.73 58.30 3kr5 h TYR 383 Cb 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3kr5 h TYR 383 CO 0.00 0.13 2.52 0.09 -1.05 0.00 0.00 178.16 179.85 3kr5 n ASN 384 N -4.45 7.08 -4.59 3.88 4.13 -1.22 -4.95 115.26 115.14 3kr5 n ASN 384 Ca 0.10 -2.48 -0.44 0.00 1.68 0.00 0.00 54.58 53.43 3kr5 n ASN 384 Cb 0.45 -1.41 -0.01 0.00 -1.54 0.00 0.00 39.78 37.26 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 3.39 1.82 -4.57 3.41 7.94 -0.14 -4.47 117.00 124.37 3kr5 n LEU 385 Ca 0.63 1.18 -0.32 0.00 -1.11 0.00 0.00 56.01 56.38 3kr5 n LEU 385 Cb 0.38 -1.29 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 3kr5 n LEU 385 CO 0.63 -1.40 1.50 -0.54 -1.11 0.00 0.00 177.39 176.47 3kr5 s LYS 386 N -1.57 2.97 0.00 1.96 1.02 -0.39 -4.48 119.74 119.24 3kr5 s LYS 386 Ca 0.59 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.65 3kr5 s LYS 386 Cb -0.70 -5.24 0.00 0.00 -0.52 0.00 0.00 37.83 31.38 3kr5 s LYS 386 CO 0.60 -3.11 0.00 0.00 -0.92 0.00 0.00 175.35 171.92 3kr5 n ALA 387 N 12.18 1.94 -1.76 5.17 0.00 -1.26 -4.66 120.51 132.12 3kr5 n ALA 387 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 3kr5 n ALA 387 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.57 2.72 0.32 0.00 0.00 -1.26 -4.95 121.76 117.01 3kr5 s ALA 388 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3kr5 s ALA 388 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3kr5 s ALA 388 CO 0.00 -1.04 1.41 -2.30 0.00 0.00 0.00 175.76 173.83 3kr5 n PRO 389 N -1.18 2.32 -0.95 0.00 -0.02 -1.26 -2.25 135.00 131.66 3kr5 n PRO 389 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3kr5 n PRO 389 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.31 0.67 0.15 -1.23 0.00 -1.26 -4.88 105.19 99.95 3kr5 n GLY 390 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.08 1.61 4.64 -1.82 -3.47 113.55 108.42 3kr5 h SER 391 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 3kr5 h SER 391 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3kr5 h SER 391 CO 0.00 0.00 -0.82 0.23 -0.87 0.00 0.00 176.83 175.37 3kr5 n MET 392 N -2.44 -5.08 -0.04 4.77 2.81 -1.26 -4.85 117.12 111.03 3kr5 n MET 392 Ca 0.03 0.63 0.18 0.00 -1.81 0.00 0.00 57.70 56.72 3kr5 n MET 392 Cb 0.31 -5.24 0.62 0.00 -0.71 0.00 0.00 33.22 28.19 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 -1.90 0.78 0.00 2.02 2.10 -1.92 -1.45 117.51 117.14 3kr5 h ILE 393 Ca -0.61 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3kr5 h ILE 393 Cb 1.36 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3kr5 h ILE 393 CO 0.57 0.03 0.00 -0.90 -1.08 0.00 0.00 178.15 176.77 3kr5 n ASP 394 N -4.42 0.53 0.01 2.19 5.75 -1.26 -1.70 116.55 117.65 3kr5 n ASP 394 Ca 0.10 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.61 3kr5 n ASP 394 Cb 0.54 -0.73 0.18 0.00 -1.03 0.00 0.00 41.12 40.08 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 -2.07 0.58 0.00 -2.12 7.94 -0.55 -4.58 117.00 116.20 3kr5 n LEU 395 Ca 0.03 -0.03 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 3kr5 n LEU 395 Cb 0.25 -0.20 0.57 0.00 0.53 0.00 0.00 43.42 44.58 3kr5 n LEU 395 CO 0.21 0.11 0.77 0.23 -1.11 0.00 0.00 177.39 177.60 3kr5 n MET 396 N -1.61 0.59 0.21 1.96 2.81 -0.69 -0.80 117.12 119.60 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 0.35 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.12 3kr5 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr5 h LYS 397 N 0.00 0.00 -0.05 0.03 2.10 -1.81 -2.80 116.57 114.03 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 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3kr5 h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kr5 n PHE 398 N -2.53 0.06 1.63 0.07 -0.00 0.02 -3.89 117.46 112.81 3kr5 n PHE 398 Ca -0.01 -0.03 0.07 0.00 -0.00 0.00 0.00 57.45 57.48 3kr5 n PHE 398 Cb 0.09 0.00 0.40 0.00 -0.00 0.00 0.00 39.48 39.97 3kr5 n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kr5 n ASP 399 N -0.01 0.00 -1.03 5.98 2.03 -1.07 -1.81 116.55 120.64 3kr5 n ASP 399 Ca 0.19 -1.21 0.08 0.00 0.52 0.00 0.00 54.79 54.37 3kr5 n ASP 399 Cb 0.29 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.76 3.22 -0.34 -0.67 0.00 -0.20 -1.85 117.12 116.52 3kr5 n MET 400 Ca 0.10 -2.64 0.12 0.00 0.00 0.00 0.00 57.70 55.27 3kr5 n MET 400 Cb 0.05 -1.71 0.32 0.00 0.00 0.00 0.00 33.22 31.87 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 2.49 0.79 -0.19 3.17 0.02 -1.51 0.16 113.55 118.48 3kr5 h SER 401 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kr5 h SER 401 Cb 1.27 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3kr5 h SER 401 CO 0.18 0.34 0.13 1.23 -1.14 0.00 0.00 176.83 177.57 3kr5 h GLY 402 N 0.80 0.27 0.86 -3.77 0.00 -1.73 0.45 103.07 99.96 3kr5 h GLY 402 Ca 0.53 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.78 3kr5 h GLY 402 CO -0.31 0.10 0.29 0.00 0.00 0.00 0.00 176.54 176.62 3kr5 h ALA 404 N 1.23 0.46 -0.54 0.00 0.00 -0.10 0.79 119.26 121.10 3kr5 h ALA 404 Ca 0.20 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3kr5 h ALA 404 Cb 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3kr5 h ALA 404 CO -0.10 -0.26 0.27 0.00 0.00 0.00 0.00 179.25 179.16 3kr5 h ALA 405 N 1.26 0.69 -0.28 0.00 0.00 0.40 0.31 119.26 121.63 3kr5 h ALA 405 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3kr5 h ALA 405 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kr5 h ALA 405 CO -0.19 -0.07 0.08 0.28 0.00 0.00 0.00 179.25 179.34 3kr5 h VAL 406 N 0.52 1.21 -0.69 0.00 2.07 -0.75 0.77 116.25 119.39 3kr5 h VAL 406 Ca 0.24 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3kr5 h VAL 406 Cb 0.15 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kr5 h VAL 406 CO -0.17 0.23 0.30 -0.07 0.02 0.00 0.00 177.57 177.88 3kr5 h LEU 407 N 0.29 0.93 -0.78 2.57 3.38 -0.11 0.33 115.31 121.92 3kr5 h LEU 407 Ca 0.09 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 407 Cb 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3kr5 h LEU 407 CO -0.00 0.83 0.50 1.23 0.09 0.00 0.00 178.44 181.08 3kr5 h GLY 408 N 0.97 1.13 0.99 0.83 0.00 -0.27 -0.40 103.07 106.32 3kr5 h GLY 408 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3kr5 h GLY 408 CO -0.02 0.32 0.33 0.00 0.00 0.00 0.00 176.54 177.16 3kr5 h ALA 410 N 1.15 1.44 0.28 0.00 0.00 -0.27 0.35 119.26 122.21 3kr5 h ALA 410 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kr5 h ALA 410 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kr5 h ALA 410 CO -0.03 0.08 -0.16 -0.92 0.00 0.00 0.00 179.25 178.22 3kr5 h TYR 411 N 0.84 -0.42 0.16 0.00 3.20 0.01 0.16 116.97 120.92 3kr5 h TYR 411 Ca 0.49 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.36 3kr5 h TYR 411 Cb 0.58 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3kr5 h TYR 411 CO -0.03 -0.26 -0.18 0.00 -1.64 0.00 0.00 178.16 176.05 3kr5 h VAL 413 N -0.39 1.11 0.00 0.00 2.07 -0.35 0.39 116.25 119.09 3kr5 h VAL 413 Ca 0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3kr5 h VAL 413 Cb 0.38 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kr5 h VAL 413 CO -0.06 0.14 -0.17 1.23 0.02 0.00 0.00 177.57 178.73 3kr5 h GLY 414 N 0.79 0.00 0.10 2.17 0.00 -0.43 0.26 103.07 105.97 3kr5 h GLY 414 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.40 3kr5 h GLY 414 CO -0.08 0.00 -0.93 -0.84 0.00 0.00 0.00 176.54 174.69 3kr5 h THR 415 N 0.00 1.18 0.00 4.70 2.02 -0.53 -3.37 112.91 116.92 3kr5 h THR 415 Ca -0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 3kr5 h THR 415 Cb 0.40 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3kr5 h THR 415 CO 0.02 0.47 0.00 -0.07 0.37 0.00 0.00 175.52 176.31 3kr5 h LEU 416 N -0.87 0.00 -3.32 2.58 3.38 -0.16 -3.48 115.31 113.45 3kr5 h LEU 416 Ca -0.24 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.30 3kr5 h LEU 416 Cb 1.30 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.11 3kr5 h LEU 416 CO -0.10 0.00 -0.90 0.29 0.09 0.00 0.00 178.44 177.82 3kr5 n LYS 417 N -2.86 -1.12 -1.08 1.13 5.02 0.92 -4.94 118.16 115.24 3kr5 n LYS 417 Ca 0.03 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.51 3kr5 n LYS 417 Cb 0.43 -3.81 0.13 0.00 -0.02 0.00 0.00 35.03 31.76 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 -5.84 1.63 0.28 1.97 0.04 -1.26 -5.02 135.00 126.80 3kr5 s PRO 418 Ca 0.39 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.12 3kr5 s PRO 418 Cb -0.15 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 3kr5 s PRO 418 CO 0.87 -2.19 0.31 -1.21 0.04 0.00 0.00 177.00 174.83 3kr5 s GLU 419 N -4.32 3.08 -1.64 4.56 2.02 -1.26 -4.58 118.70 116.56 3kr5 s GLU 419 Ca 0.70 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3kr5 s GLU 419 Cb -0.26 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3kr5 s GLU 419 CO 0.52 0.29 0.00 0.09 0.02 0.00 0.00 175.26 176.18 3kr5 n ASN 420 N -1.37 -5.61 -4.28 -0.19 3.02 -1.25 -4.97 115.26 100.62 3kr5 n ASN 420 Ca -0.06 0.38 -0.27 0.00 -0.03 0.00 0.00 54.58 54.60 3kr5 n ASN 420 Cb 0.58 -4.47 -0.14 0.00 -0.61 0.00 0.00 39.78 35.13 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 -2.32 1.83 -0.19 2.41 -7.23 -1.26 0.09 120.40 113.72 3kr5 s VAL 421 Ca 0.00 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3kr5 s VAL 421 Cb 0.00 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3kr5 s VAL 421 CO 0.00 0.29 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.26 3kr5 s GLU 422 N -1.11 3.21 -0.07 4.82 2.12 0.04 -1.00 118.70 126.72 3kr5 s GLU 422 Ca 0.09 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.75 3kr5 s GLU 422 Cb -0.09 -2.75 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 3kr5 s GLU 422 CO 0.02 -0.13 -0.24 0.42 -0.54 0.00 0.00 175.26 174.79 3kr5 s ILE 423 N 1.20 1.99 -0.19 -3.70 1.01 0.10 -0.35 121.20 121.26 3kr5 s ILE 423 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 3kr5 s ILE 423 Cb -0.14 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3kr5 s ILE 423 CO -0.05 0.55 -0.04 -1.00 0.00 0.00 0.00 174.94 174.40 3kr5 s HIS 424 N -0.00 2.97 -0.32 3.97 3.76 0.41 -0.04 115.29 126.04 3kr5 s HIS 424 Ca -0.08 -0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 54.06 3kr5 s HIS 424 Cb -0.15 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 3kr5 s HIS 424 CO 0.05 -0.35 0.17 -0.06 -0.85 0.00 0.00 174.74 173.70 3kr5 s PHE 425 N 1.04 3.19 -0.04 1.40 0.08 0.24 0.94 117.98 124.83 3kr5 s PHE 425 Ca 0.01 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 56.57 3kr5 s PHE 425 Cb -0.15 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 3kr5 s PHE 425 CO 0.00 -0.46 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.93 3kr5 s LEU 426 N 1.62 2.03 -0.13 -0.37 1.43 0.22 -0.40 118.68 123.09 3kr5 s LEU 426 Ca 0.05 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3kr5 s LEU 426 Cb -0.17 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 44.88 3kr5 s LEU 426 CO 0.07 0.24 0.29 -0.55 0.23 0.00 0.00 176.35 176.63 3kr5 s SER 427 N -0.24 -0.10 -0.76 2.29 0.15 -0.23 -0.53 113.70 114.27 3kr5 s SER 427 Ca 0.00 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 57.03 3kr5 s SER 427 Cb -0.12 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 3kr5 s SER 427 CO 0.02 -0.20 1.24 0.00 1.20 0.00 0.00 173.24 175.50 3kr5 s ALA 428 N 1.75 2.83 -0.12 5.45 0.00 -1.26 0.42 121.76 130.83 3kr5 s ALA 428 Ca -0.05 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 3kr5 s ALA 428 Cb -0.11 -4.21 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 3kr5 s ALA 428 CO -0.09 -3.22 0.20 0.08 0.00 0.00 0.00 175.76 172.73 3kr5 s VAL 429 N 5.28 5.39 0.11 0.00 1.01 0.34 -3.94 120.40 128.59 3kr5 s VAL 429 Ca 0.34 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 3kr5 s VAL 429 Cb -0.09 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.88 3kr5 s VAL 429 CO 0.11 0.55 1.13 0.00 0.00 0.00 0.00 175.10 176.89 3kr5 s GLU 431 N -2.08 1.14 -0.54 0.00 2.12 -1.26 -0.98 118.70 117.09 3kr5 s GLU 431 Ca 0.25 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 55.17 3kr5 s GLU 431 Cb -0.02 -1.03 0.09 0.00 0.26 0.00 0.00 34.13 33.43 3kr5 s GLU 431 CO 0.03 -0.02 0.60 1.21 -0.54 0.00 0.00 175.26 176.54 3kr5 s ASN 432 N 0.74 6.19 0.36 -1.70 2.47 -0.12 -4.29 114.94 118.58 3kr5 s ASN 432 Ca -0.12 -1.38 0.05 0.00 0.42 0.00 0.00 52.86 51.83 3kr5 s ASN 432 Cb -0.14 -2.26 -0.07 0.00 -1.45 0.00 0.00 41.25 37.32 3kr5 s ASN 432 CO 0.02 -0.94 0.03 -0.04 -3.72 0.00 0.00 177.10 172.44 3kr5 s MET 433 N 2.30 1.78 -0.17 0.43 -1.94 -1.26 -1.07 119.30 119.36 3kr5 s MET 433 Ca 0.09 -1.99 -0.02 0.00 -1.71 0.00 0.00 55.69 52.06 3kr5 s MET 433 Cb -0.24 -1.21 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 3kr5 s MET 433 CO 0.07 -0.12 -0.08 0.08 -0.01 0.00 0.00 175.02 174.96 3kr5 s VAL 434 N -3.04 3.28 0.23 -6.03 1.01 -1.26 -4.47 120.40 110.12 3kr5 s VAL 434 Ca 0.36 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3kr5 s VAL 434 Cb 0.09 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kr5 s VAL 434 CO 0.16 0.48 0.69 -0.55 0.00 0.00 0.00 175.10 175.88 3kr5 s SER 435 N 0.85 -0.37 0.58 3.32 0.15 -1.26 -4.98 113.70 111.99 3kr5 s SER 435 Ca -0.02 -0.38 0.39 0.00 0.70 0.00 0.00 55.95 56.63 3kr5 s SER 435 Cb -0.15 0.67 2.02 0.00 -1.71 0.00 0.00 66.02 66.85 3kr5 s SER 435 CO 0.01 -1.19 2.17 0.07 1.20 0.00 0.00 173.24 175.50 3kr5 h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.97 -2.99 116.57 121.14 3kr5 h LYS 436 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3kr5 h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kr5 h LYS 436 CO 0.28 0.00 -0.50 0.09 -2.00 0.00 0.00 179.45 177.32 3kr5 n ASN 437 N -2.90 1.54 -4.73 7.07 5.03 -1.26 -4.99 115.26 115.02 3kr5 n ASN 437 Ca -0.02 -1.21 -0.33 0.00 0.87 0.00 0.00 54.58 53.88 3kr5 n ASN 437 Cb 0.10 0.46 0.10 0.00 -1.02 0.00 0.00 39.78 39.42 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 -2.59 4.19 0.55 6.41 0.01 -1.13 -3.73 113.70 117.41 3kr5 s SER 438 Ca 0.18 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 59.54 3kr5 s SER 438 Cb 0.18 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 3kr5 s SER 438 CO 0.61 -2.26 1.00 -0.72 0.41 0.00 0.00 173.24 172.29 3kr5 s TYR 439 N -2.17 3.43 0.17 2.43 1.13 -1.26 -4.86 117.35 116.22 3kr5 s TYR 439 Ca 0.71 1.44 0.07 0.00 -1.41 0.00 0.00 57.07 57.88 3kr5 s TYR 439 Cb -0.26 -2.80 -0.04 0.00 -1.10 0.00 0.00 41.96 37.75 3kr5 s TYR 439 CO 0.47 -0.53 -0.00 1.03 -2.51 0.00 0.00 175.55 174.00 3kr5 s ARG 440 N -4.32 2.40 0.27 -3.49 0.52 -1.26 -4.58 118.95 108.50 3kr5 s ARG 440 Ca 0.59 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3kr5 s ARG 440 Cb -0.11 -2.36 -0.13 0.00 0.52 0.00 0.00 34.95 32.87 3kr5 s ARG 440 CO 0.37 0.46 1.37 -2.30 0.02 0.00 0.00 175.30 175.22 3kr5 n PRO 441 N -0.08 2.07 0.00 3.54 -0.02 -1.26 -1.60 135.00 137.65 3kr5 n PRO 441 Ca -0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3kr5 n PRO 441 Cb 0.55 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 442 N 1.72 2.55 3.55 -1.23 0.00 0.25 -5.01 105.19 107.01 3kr5 n GLY 442 Ca 0.09 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 0.07 0.59 -4.39 1.61 9.92 -0.62 -4.42 116.55 119.31 3kr5 n ASP 443 Ca 0.00 1.10 -0.35 0.00 -0.53 0.00 0.00 54.79 55.01 3kr5 n ASP 443 Cb 0.00 -1.23 -0.13 0.00 -0.64 0.00 0.00 41.12 39.12 3kr5 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr5 s ILE 444 N -1.17 3.79 0.24 0.53 1.01 -1.26 -0.74 121.20 123.61 3kr5 s ILE 444 Ca 0.61 -0.36 0.12 0.00 0.00 0.00 0.00 60.65 61.02 3kr5 s ILE 444 Cb -0.68 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3kr5 s ILE 444 CO 0.59 0.40 -0.20 0.27 0.00 0.00 0.00 174.94 176.00 3kr5 s ILE 445 N 1.35 2.51 -0.22 2.92 -4.36 0.17 -4.90 121.20 118.68 3kr5 s ILE 445 Ca 0.04 -2.20 -0.02 0.00 -0.26 0.00 0.00 60.65 58.21 3kr5 s ILE 445 Cb -0.15 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.30 3kr5 s ILE 445 CO 0.00 -0.27 -0.08 -0.89 0.24 0.00 0.00 174.94 173.94 3kr5 s THR 446 N -2.13 2.98 0.89 8.37 2.01 -1.26 0.58 115.64 127.08 3kr5 s THR 446 Ca 0.26 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 3kr5 s THR 446 Cb -0.06 -2.37 0.12 0.00 0.01 0.00 0.00 72.50 70.20 3kr5 s THR 446 CO 0.13 0.41 1.09 0.00 -0.69 0.00 0.00 174.62 175.56 3kr5 s ALA 447 N 1.41 1.57 -1.07 7.40 0.00 -0.06 -2.43 121.76 128.57 3kr5 s ALA 447 Ca 0.05 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.18 3kr5 s ALA 447 Cb -0.14 -3.24 0.41 0.00 0.00 0.00 0.00 23.12 20.14 3kr5 s ALA 447 CO -0.06 -2.36 1.28 -1.13 0.00 0.00 0.00 175.76 173.48 3kr5 n SER 448 N -3.91 0.00 -1.02 0.00 3.41 -0.81 -0.77 113.62 110.52 3kr5 n SER 448 Ca 0.08 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3kr5 n SER 448 Cb 0.54 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.29 3kr5 n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kr5 n ASN 449 N -1.47 3.00 0.00 4.04 6.94 -1.26 -4.93 115.26 121.59 3kr5 n ASN 449 Ca 0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 3kr5 n ASN 449 Cb 0.10 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 1.41 1.79 3.71 4.83 0.00 0.05 -5.04 105.19 111.94 3kr5 n GLY 450 Ca 0.19 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 -0.59 4.34 0.05 1.61 1.02 -1.25 -4.73 119.74 120.18 3kr5 s LYS 451 Ca 0.00 1.95 -0.22 0.00 0.02 0.00 0.00 55.97 57.73 3kr5 s LYS 451 Cb 0.00 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 3kr5 s LYS 451 CO 0.00 -0.44 0.65 0.95 -0.92 0.00 0.00 175.35 175.59 3kr5 s THR 452 N 1.54 4.76 -0.11 2.17 -4.23 -1.26 -0.88 115.64 117.64 3kr5 s THR 452 Ca 0.63 1.38 0.04 0.00 -1.18 0.00 0.00 61.69 62.55 3kr5 s THR 452 Cb -0.33 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.52 3kr5 s THR 452 CO 0.28 0.45 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.96 3kr5 s ILE 453 N -0.50 2.01 -0.31 2.99 1.01 0.20 -1.36 121.20 125.24 3kr5 s ILE 453 Ca 0.33 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.79 3kr5 s ILE 453 Cb -0.20 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 3kr5 s ILE 453 CO 0.20 0.55 0.65 -0.70 0.00 0.00 0.00 174.94 175.63 3kr5 s GLU 454 N 0.45 3.90 -0.37 2.79 2.12 0.23 -0.65 118.70 127.18 3kr5 s GLU 454 Ca -0.16 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 3kr5 s GLU 454 Cb -0.17 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.50 3kr5 s GLU 454 CO 0.07 -0.59 1.16 0.08 -0.54 0.00 0.00 175.26 175.44 3kr5 s VAL 455 N 2.65 4.30 -0.16 3.70 1.01 0.08 -1.68 120.40 130.31 3kr5 s VAL 455 Ca 0.26 1.44 0.21 0.00 0.00 0.00 0.00 61.98 63.89 3kr5 s VAL 455 Cb -0.15 -4.41 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 3kr5 s VAL 455 CO 0.12 -0.65 0.82 0.61 0.00 0.00 0.00 175.10 175.99 3kr5 n GLY 456 N 4.32 -1.27 3.53 4.51 0.00 -1.26 0.84 105.19 115.86 3kr5 n GLY 456 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 3kr5 n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kr5 s ASN 457 N -5.32 -1.00 0.45 1.61 3.84 -1.26 -4.74 114.94 108.51 3kr5 s ASN 457 Ca -0.03 1.39 0.31 0.00 0.21 0.00 0.00 52.86 54.74 3kr5 s ASN 457 Cb 0.10 2.12 1.37 0.00 -0.55 0.00 0.00 41.25 44.29 3kr5 s ASN 457 CO 0.82 -0.23 1.92 0.71 -2.79 0.00 0.00 177.10 177.53 3kr5 h THR 458 N 6.03 0.00 0.00 -5.21 1.35 -1.90 -1.57 112.91 111.61 3kr5 h THR 458 Ca -0.18 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kr5 h THR 458 Cb 1.11 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kr5 h THR 458 CO 0.12 0.00 -0.01 -0.67 -0.25 0.00 0.00 175.52 174.71 3kr5 n ASP 459 N -2.72 0.08 -3.23 5.36 2.03 -0.57 -3.49 116.55 114.01 3kr5 n ASP 459 Ca 0.00 0.49 -0.37 0.00 0.52 0.00 0.00 54.79 55.44 3kr5 n ASP 459 Cb 0.22 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.52 6.59 0.06 -1.67 0.00 -0.59 -4.65 120.51 118.73 3kr5 n ALA 460 Ca 0.07 -3.92 0.02 0.00 0.00 0.00 0.00 53.44 49.61 3kr5 n ALA 460 Cb 0.35 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 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 4.05 0.00 0.04 0.00 9.09 -1.78 -3.38 114.58 122.60 3kr5 h GLU 461 Ca 0.59 0.00 0.01 0.00 0.05 0.00 0.00 59.36 60.01 3kr5 h GLU 461 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 3kr5 h GLU 461 CO 1.28 0.28 -0.09 0.78 0.05 0.00 0.00 179.01 181.30 3kr5 h GLY 462 N 3.72 -0.14 1.91 1.06 0.00 -1.91 -1.72 103.07 105.98 3kr5 h GLY 462 Ca -0.11 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3kr5 h GLY 462 CO 0.04 -0.10 -0.07 0.07 0.00 0.00 0.00 176.54 176.49 3kr5 h ARG 463 N -0.18 0.12 -0.01 4.80 0.11 -1.94 0.34 114.38 117.61 3kr5 h ARG 463 Ca 0.02 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kr5 h ARG 463 Cb 0.20 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 3kr5 h ARG 463 CO -0.07 0.20 0.01 -0.07 0.10 0.00 0.00 179.97 180.14 3kr5 h LEU 464 N 0.12 0.02 -0.53 0.08 3.38 -1.55 0.10 115.31 116.92 3kr5 h LEU 464 Ca 0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3kr5 h LEU 464 Cb 0.20 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kr5 h LEU 464 CO 0.01 0.12 -0.07 0.71 0.09 0.00 0.00 178.44 179.31 3kr5 h THR 465 N -0.10 1.27 -0.34 0.22 1.35 -0.34 -2.93 112.91 112.04 3kr5 h THR 465 Ca 0.00 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 64.61 3kr5 h THR 465 Cb 0.11 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 3kr5 h THR 465 CO -0.00 0.42 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.61 3kr5 h LEU 466 N 0.85 0.49 -0.22 3.87 3.38 -0.31 -1.52 115.31 121.86 3kr5 h LEU 466 Ca 0.14 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kr5 h LEU 466 Cb 0.62 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3kr5 h LEU 466 CO 0.04 0.57 -0.09 0.00 0.09 0.00 0.00 178.44 179.05 3kr5 h ALA 467 N 1.49 0.09 -0.10 1.53 0.00 -0.78 1.01 119.26 122.50 3kr5 h ALA 467 Ca 0.11 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3kr5 h ALA 467 Cb 0.34 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kr5 h ALA 467 CO 0.01 -0.51 -0.59 -0.44 0.00 0.00 0.00 179.25 177.72 3kr5 h ASP 468 N -0.06 0.37 -0.57 0.00 3.32 -1.47 -1.16 116.42 116.85 3kr5 h ASP 468 Ca 0.12 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3kr5 h ASP 468 Cb 0.23 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3kr5 h ASP 468 CO -0.26 0.88 0.23 0.00 -1.72 0.00 0.00 179.24 178.37 3kr5 h ALA 469 N 1.13 0.74 -0.38 3.45 0.00 -0.22 -1.65 119.26 122.32 3kr5 h ALA 469 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kr5 h ALA 469 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kr5 h ALA 469 CO 0.10 0.34 0.07 -0.07 0.00 0.00 0.00 179.25 179.69 3kr5 h LEU 470 N 0.78 0.60 -1.06 0.00 3.38 0.14 0.10 115.31 119.25 3kr5 h LEU 470 Ca 0.19 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3kr5 h LEU 470 Cb 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3kr5 h LEU 470 CO -0.02 0.70 0.63 0.58 0.09 0.00 0.00 178.44 180.42 3kr5 h VAL 471 N 0.48 1.13 -0.10 1.22 2.07 -1.14 -0.31 116.25 119.60 3kr5 h VAL 471 Ca 0.12 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kr5 h VAL 471 Cb 0.34 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3kr5 h VAL 471 CO 0.01 0.22 0.01 0.22 0.02 0.00 0.00 177.57 178.04 3kr5 h TYR 472 N 1.19 0.18 -0.49 1.57 3.20 -0.72 -2.02 116.97 119.88 3kr5 h TYR 472 Ca 0.40 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.29 3kr5 h TYR 472 Cb 0.07 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 3kr5 h TYR 472 CO -0.00 0.40 0.21 0.00 -1.64 0.00 0.00 178.16 177.13 3kr5 h ALA 473 N 0.76 0.61 -0.16 1.82 0.00 -0.30 -2.13 119.26 119.86 3kr5 h ALA 473 Ca 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kr5 h ALA 473 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kr5 h ALA 473 CO 0.00 -0.16 -0.37 1.49 0.00 0.00 0.00 179.25 180.21 3kr5 h GLU 474 N 0.41 0.34 0.00 0.00 4.81 -1.01 -0.31 114.58 118.82 3kr5 h GLU 474 Ca 0.22 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kr5 h GLU 474 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kr5 h GLU 474 CO -0.19 0.66 0.00 0.87 -0.73 0.00 0.00 179.01 179.62 3kr5 h LYS 475 N 0.28 0.00 0.00 1.92 1.57 -0.70 -0.95 116.57 118.69 3kr5 h LYS 475 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kr5 h LYS 475 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kr5 h LYS 475 CO 0.06 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.87 3kr5 h LEU 476 N 0.00 0.00 -2.10 2.94 3.38 -0.71 -3.48 115.31 115.34 3kr5 h LEU 476 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3kr5 h LEU 476 Cb 0.07 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.92 3kr5 h LEU 476 CO 0.00 0.00 -0.44 0.61 0.09 0.00 0.00 178.44 178.70 3kr5 n GLY 477 N 0.47 -0.07 3.97 0.83 0.00 -0.36 -5.05 105.19 104.98 3kr5 n GLY 477 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3kr5 n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr5 s VAL 478 N -3.20 3.15 -0.03 1.61 -7.23 -1.26 -4.93 120.40 108.50 3kr5 s VAL 478 Ca 0.08 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 3kr5 s VAL 478 Cb -0.01 -3.15 -0.27 0.00 0.56 0.00 0.00 36.38 33.51 3kr5 s VAL 478 CO 0.40 -0.10 0.71 0.44 -0.31 0.00 0.00 175.10 176.24 3kr5 h ASP 479 N 0.28 0.35 -4.00 4.85 3.32 -0.71 -3.47 116.42 117.05 3kr5 h ASP 479 Ca -0.43 -0.57 -0.44 0.00 0.02 0.00 0.00 57.03 55.61 3kr5 h ASP 479 Cb 1.28 -0.11 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 3kr5 h ASP 479 CO 0.53 1.49 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.43 3kr5 s TYR 480 N -2.60 1.03 -0.18 4.55 2.02 -0.99 -3.83 117.35 117.36 3kr5 s TYR 480 Ca -0.12 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3kr5 s TYR 480 Cb 0.07 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 3kr5 s TYR 480 CO 0.83 -0.05 -0.16 0.42 -1.57 0.00 0.00 175.55 175.02 3kr5 s ILE 481 N -0.09 2.48 -0.20 2.71 1.01 -0.39 -0.37 121.20 126.36 3kr5 s ILE 481 Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3kr5 s ILE 481 Cb -0.06 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.38 3kr5 s ILE 481 CO 0.00 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 3kr5 s VAL 482 N 1.14 2.15 0.04 2.92 1.01 -0.04 -1.04 120.40 126.57 3kr5 s VAL 482 Ca 0.01 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.89 3kr5 s VAL 482 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3kr5 s VAL 482 CO -0.06 0.39 0.19 1.51 0.00 0.00 0.00 175.10 177.13 3kr5 s ASP 483 N 1.25 6.30 -0.03 3.32 1.47 -0.25 -0.48 116.67 128.25 3kr5 s ASP 483 Ca 0.02 0.27 0.01 0.00 1.18 0.00 0.00 52.55 54.02 3kr5 s ASP 483 Cb -0.15 -1.93 0.03 0.00 -0.34 0.00 0.00 42.92 40.52 3kr5 s ASP 483 CO -0.11 0.19 -0.01 -0.51 0.68 0.00 0.00 175.17 175.42 3kr5 s ILE 484 N -1.45 0.26 -0.25 2.11 2.07 0.12 -0.08 121.20 123.98 3kr5 s ILE 484 Ca 0.33 0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 59.37 3kr5 s ILE 484 Cb -0.13 -0.34 0.07 0.00 0.13 0.00 0.00 42.46 42.19 3kr5 s ILE 484 CO 0.25 0.16 0.67 0.00 -1.91 0.00 0.00 174.94 174.11 3kr5 s ALA 485 N 0.95 -1.66 -1.34 1.50 0.00 -0.40 -1.26 121.76 119.55 3kr5 s ALA 485 Ca -0.10 1.90 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 3kr5 s ALA 485 Cb -0.14 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 21.94 3kr5 s ALA 485 CO -0.01 -0.32 1.86 0.25 0.00 0.00 0.00 175.76 177.54 3kr5 n THR 486 N 2.77 3.83 -0.04 0.00 -2.24 -1.26 -1.00 114.28 116.34 3kr5 n THR 486 Ca -0.14 -3.84 -0.22 0.00 -2.27 0.00 0.00 64.05 57.58 3kr5 n THR 486 Cb 0.55 -2.42 -0.13 0.00 -2.10 0.00 0.00 70.33 66.24 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 7.78 2.40 -3.79 3.22 7.94 -1.26 -4.73 117.00 128.56 3kr5 n LEU 487 Ca 0.50 0.26 -0.19 0.00 -1.11 0.00 0.00 56.01 55.47 3kr5 n LEU 487 Cb 0.44 -1.06 -0.17 0.00 0.53 0.00 0.00 43.42 43.17 3kr5 n LEU 487 CO 0.80 0.68 -0.37 0.42 -1.11 0.00 0.00 177.39 177.81 3kr5 s THR 488 N -2.50 0.20 0.57 1.96 -4.23 -1.26 -4.95 115.64 105.43 3kr5 s THR 488 Ca -0.25 0.14 0.27 0.00 -1.18 0.00 0.00 61.69 60.66 3kr5 s THR 488 Cb 0.07 -0.33 0.37 0.00 1.34 0.00 0.00 72.50 73.95 3kr5 s THR 488 CO 0.70 0.18 2.03 1.23 -0.54 0.00 0.00 174.62 178.22 3kr5 h GLY 489 N 7.69 0.00 1.23 3.99 0.00 -1.92 -1.51 103.07 112.55 3kr5 h GLY 489 Ca -0.32 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.10 3kr5 h GLY 489 CO 0.37 0.00 0.30 0.00 0.00 0.00 0.00 176.54 177.21 3kr5 h ALA 490 N 1.71 2.06 -0.93 3.60 0.00 -1.96 -1.61 119.26 122.14 3kr5 h ALA 490 Ca 0.16 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.27 3kr5 h ALA 490 Cb 0.75 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 3kr5 h ALA 490 CO -0.00 -0.46 0.62 0.52 0.00 0.00 0.00 179.25 179.93 3kr5 h MET 491 N 0.00 0.37 0.00 0.00 2.86 -1.66 0.58 114.93 117.09 3kr5 h MET 491 Ca 0.15 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3kr5 h MET 491 Cb 0.74 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3kr5 h MET 491 CO -0.00 0.25 -0.20 -0.07 1.06 0.00 0.00 176.91 177.95 3kr5 h LEU 492 N 0.39 0.00 0.00 1.22 3.38 -1.50 0.84 115.31 119.64 3kr5 h LEU 492 Ca 0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 3kr5 h LEU 492 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kr5 h LEU 492 CO -0.19 0.20 -1.24 -1.22 0.09 0.00 0.00 178.44 176.08 3kr5 n TYR 493 N -4.00 0.93 -0.01 1.13 4.02 0.18 -3.62 117.16 115.80 3kr5 n TYR 493 Ca -0.02 0.29 -0.01 0.00 -0.01 0.00 0.00 57.90 58.15 3kr5 n TYR 493 Cb 0.28 -1.00 -0.00 0.00 -0.02 0.00 0.00 39.34 38.59 3kr5 n TYR 493 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3kr5 h SER 494 N 0.00 0.00 0.00 7.72 4.64 -0.57 -3.45 113.55 121.89 3kr5 h SER 494 Ca -0.08 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3kr5 h SER 494 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 3kr5 h SER 494 CO 0.02 0.11 -2.12 0.18 -0.87 0.00 0.00 176.83 174.16 3kr5 n LEU 495 N -2.61 0.00 0.00 5.97 4.77 0.12 -5.08 117.00 120.17 3kr5 n LEU 495 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3kr5 n LEU 495 Cb 0.04 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3kr5 n LEU 495 CO 0.02 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3kr5 n GLY 496 N 1.53 -0.64 0.46 -0.72 0.00 -0.22 -4.35 105.19 101.25 3kr5 n GLY 496 Ca -0.16 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.10 2.61 -2.24 -1.25 -4.19 114.28 109.10 3kr5 n THR 497 Ca 0.00 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 3kr5 n THR 497 Cb 0.00 0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.04 2.44 -4.44 3.42 7.64 -1.26 -4.27 113.62 117.12 3kr5 n SER 498 Ca 0.13 -0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 3kr5 n SER 498 Cb 0.42 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.40 2.90 0.70 1.43 4.12 -1.26 -4.46 117.35 118.38 3kr5 s TYR 499 Ca -0.27 -0.46 -0.11 0.00 0.02 0.00 0.00 57.07 56.26 3kr5 s TYR 499 Cb 0.07 -1.88 0.02 0.00 -1.52 0.00 0.00 41.96 38.65 3kr5 s TYR 499 CO 0.46 -0.10 1.08 0.00 0.02 0.00 0.00 175.55 177.00 3kr5 s ALA 500 N 0.27 2.94 -0.07 3.71 0.00 -0.23 -4.55 121.76 123.83 3kr5 s ALA 500 Ca -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 3kr5 s ALA 500 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3kr5 s ALA 500 CO 0.04 -1.12 0.09 0.20 0.00 0.00 0.00 175.76 174.97 3kr5 s GLY 501 N -4.36 2.03 -0.08 0.00 0.00 -0.97 -0.31 107.32 103.63 3kr5 s GLY 501 Ca 0.58 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.57 3kr5 s GLY 501 CO 0.51 -0.56 -0.20 0.54 0.00 0.00 0.00 173.10 173.39 3kr5 s VAL 502 N -1.05 1.72 0.20 1.40 0.11 0.46 -0.17 120.40 123.06 3kr5 s VAL 502 Ca 0.17 -0.83 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 3kr5 s VAL 502 Cb -0.12 -1.50 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3kr5 s VAL 502 CO 0.07 0.48 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.80 3kr5 s PHE 503 N 0.35 1.80 -0.02 1.54 0.08 0.29 -0.14 117.98 121.89 3kr5 s PHE 503 Ca -0.15 -0.51 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 3kr5 s PHE 503 Cb -0.16 -0.85 0.11 0.00 -0.57 0.00 0.00 43.02 41.55 3kr5 s PHE 503 CO 0.06 0.39 1.29 0.20 -0.10 0.00 0.00 175.22 177.06 3kr5 s GLY 504 N -3.11 -0.32 -0.01 4.36 0.00 -1.26 0.11 107.32 107.09 3kr5 s GLY 504 Ca 0.21 0.48 0.14 0.00 0.00 0.00 0.00 44.72 45.55 3kr5 s GLY 504 CO 0.08 1.95 1.35 1.16 0.00 0.00 0.00 173.10 177.64 3kr5 n ASN 505 N -0.69 3.30 -3.66 1.64 0.23 -0.27 -4.80 115.26 111.01 3kr5 n ASN 505 Ca -0.05 -2.07 -0.11 0.00 -0.53 0.00 0.00 54.58 51.82 3kr5 n ASN 505 Cb 0.62 -0.32 -0.11 0.00 -2.08 0.00 0.00 39.78 37.88 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 -1.04 0.00 0.06 0.53 3.84 -1.26 -4.84 114.94 112.23 3kr5 s ASN 506 Ca 0.32 0.82 -0.20 0.00 0.21 0.00 0.00 52.86 54.00 3kr5 s ASN 506 Cb 0.17 1.06 -0.11 0.00 -0.55 0.00 0.00 41.25 41.82 3kr5 s ASN 506 CO 0.20 -0.23 1.49 -0.33 -2.79 0.00 0.00 177.10 175.43 3kr5 h GLU 507 N 8.21 0.31 -0.47 0.43 3.07 -1.95 -1.57 114.58 122.60 3kr5 h GLU 507 Ca -0.15 -0.10 0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3kr5 h GLU 507 Cb 1.11 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.93 3kr5 h GLU 507 CO 0.13 0.53 0.11 1.49 -1.40 0.00 0.00 179.01 179.87 3kr5 h GLU 508 N 0.05 0.24 -0.48 2.33 4.22 -1.98 0.17 114.58 119.13 3kr5 h GLU 508 Ca 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 3kr5 h GLU 508 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3kr5 h GLU 508 CO 0.01 0.16 0.24 1.25 -2.18 0.00 0.00 179.01 178.49 3kr5 h LEU 509 N 0.25 0.61 -0.39 1.64 5.85 -1.94 -0.32 115.31 121.01 3kr5 h LEU 509 Ca 0.23 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3kr5 h LEU 509 Cb 0.29 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3kr5 h LEU 509 CO -0.29 0.56 0.17 0.40 -0.34 0.00 0.00 178.44 178.93 3kr5 h ILE 510 N 0.63 0.93 -0.69 4.05 2.04 -0.47 -1.07 117.51 122.94 3kr5 h ILE 510 Ca 0.17 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3kr5 h ILE 510 Cb 0.10 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3kr5 h ILE 510 CO -0.02 0.06 0.40 0.78 0.00 0.00 0.00 178.15 179.37 3kr5 h ASN 511 N 0.34 0.83 -0.38 1.72 2.35 -0.33 0.54 115.58 120.65 3kr5 h ASN 511 Ca 0.17 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3kr5 h ASN 511 Cb 0.12 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3kr5 h ASN 511 CO -0.15 0.66 0.25 0.11 -1.65 0.00 0.00 177.43 176.65 3kr5 h LYS 512 N 0.95 0.51 -0.54 0.81 1.57 -0.16 0.68 116.57 120.38 3kr5 h LYS 512 Ca 0.25 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3kr5 h LYS 512 Cb -0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3kr5 h LYS 512 CO -0.04 0.34 0.32 0.82 -0.57 0.00 0.00 179.45 180.31 3kr5 h ILE 513 N 0.52 1.03 -0.48 1.86 1.08 -0.31 0.16 117.51 121.38 3kr5 h ILE 513 Ca 0.14 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 3kr5 h ILE 513 Cb -0.05 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3kr5 h ILE 513 CO -0.03 0.11 0.10 -0.07 -0.69 0.00 0.00 178.15 177.57 3kr5 h LEU 514 N 0.62 0.68 -0.49 1.44 3.38 -0.44 0.39 115.31 120.89 3kr5 h LEU 514 Ca 0.23 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 514 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kr5 h LEU 514 CO -0.11 0.69 -0.46 -0.61 0.09 0.00 0.00 178.44 178.03 3kr5 h GLN 515 N 0.71 0.73 -0.07 1.13 5.75 -0.12 -0.76 115.11 122.47 3kr5 h GLN 515 Ca 0.16 -0.41 -0.09 0.00 -0.15 0.00 0.00 58.65 58.16 3kr5 h GLN 515 Cb 0.29 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3kr5 h GLN 515 CO 0.00 1.03 -0.37 0.77 -2.65 0.00 0.00 178.83 177.61 3kr5 h SER 516 N 0.58 0.15 -0.14 -0.69 0.02 0.39 -1.45 113.55 112.42 3kr5 h SER 516 Ca 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3kr5 h SER 516 Cb 1.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3kr5 h SER 516 CO 0.10 0.52 0.06 -1.28 -1.14 0.00 0.00 176.83 175.08 3kr5 h SER 517 N 0.13 0.19 -0.26 3.07 0.87 0.38 0.11 113.55 118.04 3kr5 h SER 517 Ca 0.01 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3kr5 h SER 517 Cb 0.72 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 3kr5 h SER 517 CO 0.05 0.29 0.12 0.11 -0.53 0.00 0.00 176.83 176.87 3kr5 h LYS 518 N 0.08 0.24 0.00 2.24 1.79 -0.51 -0.09 116.57 120.32 3kr5 h LYS 518 Ca 0.05 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 3kr5 h LYS 518 Cb 0.16 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3kr5 h LYS 518 CO -0.00 0.16 -0.33 1.79 -1.08 0.00 0.00 179.45 179.99 3kr5 h THR 519 N 0.25 0.54 0.00 -0.16 1.35 -1.21 -3.18 112.91 110.50 3kr5 h THR 519 Ca 0.11 -1.77 -0.08 0.00 -0.55 0.00 0.00 66.41 64.12 3kr5 h THR 519 Cb 0.05 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 3kr5 h THR 519 CO -0.09 0.31 -1.04 0.77 -0.25 0.00 0.00 175.52 175.22 3kr5 h SER 520 N 0.00 0.00 -2.09 5.36 4.64 -0.83 -3.47 113.55 117.15 3kr5 h SER 520 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 3kr5 h SER 520 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3kr5 h SER 520 CO 0.04 0.29 -0.38 0.59 -0.87 0.00 0.00 176.83 176.50 3kr5 n ASN 521 N -2.86 -4.47 -4.23 4.97 3.02 -0.06 -4.86 115.26 106.77 3kr5 n ASN 521 Ca -0.03 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 3kr5 n ASN 521 Cb 0.69 -3.62 -0.08 0.00 -0.61 0.00 0.00 39.78 36.16 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 -4.73 2.58 0.17 3.52 2.02 -1.15 -4.94 118.70 116.17 3kr5 s GLU 522 Ca 0.00 -1.76 -0.32 0.00 0.02 0.00 0.00 54.97 52.92 3kr5 s GLU 522 Cb 0.00 -4.00 -0.10 0.00 0.10 0.00 0.00 34.13 30.12 3kr5 s GLU 522 CO 0.00 -1.22 1.60 -2.14 0.02 0.00 0.00 175.26 173.51 3kr5 s PRO 523 N 1.41 4.20 0.02 0.39 0.02 -1.26 -4.56 135.00 135.22 3kr5 s PRO 523 Ca 0.05 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.52 3kr5 s PRO 523 Cb -0.27 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 3kr5 s PRO 523 CO -0.00 -0.63 -0.11 0.08 -0.33 0.00 0.00 177.00 176.01 3kr5 s VAL 524 N 1.14 0.81 -0.03 3.83 1.01 -1.26 -1.06 120.40 124.84 3kr5 s VAL 524 Ca 0.71 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3kr5 s VAL 524 Cb -0.45 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3kr5 s VAL 524 CO 0.31 -0.02 -0.19 0.86 0.00 0.00 0.00 175.10 176.07 3kr5 s TRP 525 N -0.72 1.79 -0.12 5.22 -0.11 0.58 -4.89 118.94 120.69 3kr5 s TRP 525 Ca -0.00 -0.44 -0.29 0.00 1.22 0.00 0.00 56.10 56.58 3kr5 s TRP 525 Cb -0.07 -1.18 -0.03 0.00 -1.50 0.00 0.00 33.47 30.70 3kr5 s TRP 525 CO 0.01 -0.11 1.35 -0.46 -4.62 0.00 0.00 176.95 173.11 3kr5 s TRP 526 N -0.19 2.70 0.12 5.86 -0.00 -1.26 -0.41 118.94 125.76 3kr5 s TRP 526 Ca 0.01 0.85 0.09 0.00 -0.00 0.00 0.00 56.10 57.04 3kr5 s TRP 526 Cb -0.10 -3.59 -0.04 0.00 -0.00 0.00 0.00 33.47 29.74 3kr5 s TRP 526 CO 0.01 -2.16 -0.16 -0.51 -0.00 0.00 0.00 176.95 174.13 3kr5 s LEU 527 N 3.42 2.77 0.30 5.86 1.43 0.81 -4.89 118.68 128.38 3kr5 s LEU 527 Ca 0.59 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 3kr5 s LEU 527 Cb -0.25 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3kr5 s LEU 527 CO 0.19 0.17 0.75 -2.16 0.23 0.00 0.00 176.35 175.53 3kr5 s PRO 528 N -2.19 4.08 -0.54 1.29 0.04 -1.26 -4.29 135.00 132.13 3kr5 s PRO 528 Ca 0.19 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 3kr5 s PRO 528 Cb -0.11 -2.53 0.10 0.00 0.04 0.00 0.00 34.50 32.00 3kr5 s PRO 528 CO 0.11 0.21 0.56 0.42 0.04 0.00 0.00 177.00 178.34 3kr5 s ILE 529 N -1.88 5.04 -0.44 0.56 1.01 -1.26 -4.79 121.20 119.44 3kr5 s ILE 529 Ca 0.52 -1.09 -0.25 0.00 0.00 0.00 0.00 60.65 59.83 3kr5 s ILE 529 Cb -0.12 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3kr5 s ILE 529 CO 0.18 -0.88 0.90 -0.63 0.00 0.00 0.00 174.94 174.51 3kr5 s ILE 530 N 2.11 4.52 0.45 2.92 1.01 -1.26 -4.92 121.20 126.03 3kr5 s ILE 530 Ca 0.08 0.76 0.20 0.00 0.00 0.00 0.00 60.65 61.69 3kr5 s ILE 530 Cb -0.25 -4.40 0.24 0.00 0.01 0.00 0.00 42.46 38.06 3kr5 s ILE 530 CO 0.06 -0.76 2.04 0.78 0.00 0.00 0.00 174.94 177.06 3kr5 h ASN 531 N 8.96 0.00 -1.02 3.58 2.35 -1.99 -2.33 115.58 125.14 3kr5 h ASN 531 Ca -0.24 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 55.79 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 1.01 0.15 0.70 -0.33 -1.65 0.00 0.00 177.43 177.30 3kr5 h GLU 532 N 0.00 0.18 0.00 0.81 5.08 -2.04 0.42 114.58 119.02 3kr5 h GLU 532 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kr5 h GLU 532 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3kr5 h GLU 532 CO 0.02 0.12 0.00 1.88 -1.00 0.00 0.00 179.01 180.03 3kr5 h TYR 533 N 0.18 0.00 -0.80 4.33 0.99 -1.84 -3.35 116.97 116.50 3kr5 h TYR 533 Ca 0.52 0.00 0.16 0.00 2.00 0.00 0.00 58.73 61.41 3kr5 h TYR 533 Cb 1.71 0.00 -0.10 0.00 1.00 0.00 0.00 36.73 39.34 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 0.42 -0.75 4.88 9.65 -1.06 0.26 114.38 127.78 3kr5 h ARG 534 Ca 0.00 -0.03 0.19 0.00 -1.10 0.00 0.00 59.98 59.04 3kr5 h ARG 534 Cb 0.70 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 3kr5 h ARG 534 CO 0.00 0.28 0.52 0.00 2.80 0.00 0.00 179.97 183.57 3kr5 h ALA 535 N 1.59 2.42 0.00 2.80 0.00 -1.76 0.37 119.26 124.68 3kr5 h ALA 535 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3kr5 h ALA 535 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kr5 h ALA 535 CO -0.44 -0.64 0.00 0.25 0.00 0.00 0.00 179.25 178.42 3kr5 n THR 536 N -4.41 0.14 0.74 0.00 -2.24 0.08 -1.32 114.28 107.27 3kr5 n THR 536 Ca 0.15 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 3kr5 n THR 536 Cb 0.69 -0.73 0.20 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.09 3.02 -4.55 3.22 4.77 0.12 -4.24 117.00 118.24 3kr5 n LEU 537 Ca 0.13 -1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 54.54 3kr5 n LEU 537 Cb 0.09 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3kr5 n LEU 537 CO 0.12 0.58 1.45 0.20 -1.33 0.00 0.00 177.39 178.41 3kr5 s ASN 538 N -1.73 5.61 0.43 -1.43 0.01 -0.44 0.11 114.94 117.50 3kr5 s ASN 538 Ca 0.34 0.10 -0.22 0.00 -0.71 0.00 0.00 52.86 52.37 3kr5 s ASN 538 Cb 0.21 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.24 3kr5 s ASN 538 CO 0.31 -2.16 1.03 -0.55 -1.51 0.00 0.00 177.10 174.21 3kr5 s SER 539 N 6.49 6.66 0.25 -1.22 0.15 -1.26 -4.83 113.70 119.94 3kr5 s SER 539 Ca 0.56 1.94 0.05 0.00 0.70 0.00 0.00 55.95 59.21 3kr5 s SER 539 Cb -0.11 -2.57 0.29 0.00 -1.71 0.00 0.00 66.02 61.92 3kr5 s SER 539 CO 0.19 -0.56 1.59 0.50 1.20 0.00 0.00 173.24 176.16 3kr5 h LYS 540 N 2.11 0.23 0.00 5.44 1.63 -1.96 -3.39 116.57 120.62 3kr5 h LYS 540 Ca -0.49 -0.15 -0.15 0.00 -0.85 0.00 0.00 60.65 59.01 3kr5 h LYS 540 Cb 1.21 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3kr5 h LYS 540 CO 0.61 0.73 -1.55 0.66 -3.45 0.00 0.00 179.45 176.45 3kr5 n TYR 541 N -3.90 0.00 -2.42 1.91 4.01 -1.26 -5.03 117.16 110.47 3kr5 n TYR 541 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 3kr5 n TYR 541 Cb 0.59 -0.37 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.19 3.48 0.28 -0.72 0.00 -1.26 -4.99 121.76 116.36 3kr5 s ALA 542 Ca -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 3kr5 s ALA 542 Cb 0.04 -2.30 0.39 0.00 0.00 0.00 0.00 23.12 21.25 3kr5 s ALA 542 CO 0.21 -1.21 1.88 -0.44 0.00 0.00 0.00 175.76 176.20 3kr5 h ASP 543 N -0.41 0.90 -4.85 0.00 3.32 -1.68 -3.38 116.42 110.32 3kr5 h ASP 543 Ca -0.42 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 3kr5 h ASP 543 Cb 1.29 -0.23 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 3kr5 h ASP 543 CO 0.52 0.76 -0.16 -0.51 -1.72 0.00 0.00 179.24 178.13 3kr5 s ILE 544 N -5.58 0.04 0.34 0.35 2.07 -0.46 -4.48 121.20 113.48 3kr5 s ILE 544 Ca -0.11 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.64 3kr5 s ILE 544 Cb 0.17 -0.71 -0.10 0.00 0.13 0.00 0.00 42.46 41.95 3kr5 s ILE 544 CO 0.80 -0.17 0.83 0.20 -1.91 0.00 0.00 174.94 174.70 3kr5 s ASN 545 N -1.09 6.95 -0.01 4.50 0.01 0.30 -0.60 114.94 125.00 3kr5 s ASN 545 Ca -0.11 1.51 -0.20 0.00 -0.71 0.00 0.00 52.86 53.35 3kr5 s ASN 545 Cb -0.04 -2.46 -0.29 0.00 0.41 0.00 0.00 41.25 38.88 3kr5 s ASN 545 CO 0.05 -0.20 1.00 -0.61 -1.51 0.00 0.00 177.10 175.84 3kr5 h GLN 546 N 2.46 0.40 -6.31 -0.60 4.15 -1.63 -3.46 115.11 110.12 3kr5 h GLN 546 Ca -0.48 -0.56 -0.62 0.00 0.77 0.00 0.00 58.65 57.76 3kr5 h GLN 546 Cb 1.18 0.19 -0.16 0.00 0.21 0.00 0.00 27.48 28.90 3kr5 h GLN 546 CO 0.64 1.23 -0.78 0.96 -1.93 0.00 0.00 178.83 178.95 3kr5 s ILE 547 N -2.80 2.40 0.57 2.39 -4.36 -1.26 -4.89 121.20 113.26 3kr5 s ILE 547 Ca -0.13 -2.27 -0.18 0.00 -0.26 0.00 0.00 60.65 57.81 3kr5 s ILE 547 Cb 0.03 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 3kr5 s ILE 547 CO 0.85 -0.31 1.10 -0.55 0.24 0.00 0.00 174.94 176.26 3kr5 s SER 548 N -3.22 5.69 -0.20 4.36 0.15 -1.26 -4.77 113.70 114.45 3kr5 s SER 548 Ca 0.26 2.03 -0.20 0.00 0.70 0.00 0.00 55.95 58.75 3kr5 s SER 548 Cb -0.06 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.49 3kr5 s SER 548 CO 0.13 -1.23 0.22 -1.54 1.20 0.00 0.00 173.24 172.01 3kr5 n SER 549 N -1.63 1.89 -0.03 5.45 3.41 -1.26 -4.77 113.62 116.67 3kr5 n SER 549 Ca 0.10 0.40 -0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3kr5 n SER 549 Cb 0.52 -0.96 -0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3kr5 n SER 549 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kr5 h SER 550 N -0.90 0.00 -2.50 4.04 4.64 -1.94 -3.47 113.55 113.41 3kr5 h SER 550 Ca -0.36 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.41 3kr5 h SER 550 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3kr5 h SER 550 CO -0.19 0.34 1.17 -0.69 -0.87 0.00 0.00 176.83 176.59 3kr5 s VAL 551 N -1.38 3.35 -1.67 0.95 1.01 -1.26 -4.89 120.40 116.52 3kr5 s VAL 551 Ca -0.00 0.42 0.29 0.00 0.00 0.00 0.00 61.98 62.68 3kr5 s VAL 551 Cb 0.00 -3.28 0.45 0.00 0.00 0.00 0.00 36.38 33.55 3kr5 s VAL 551 CO 0.00 -0.05 1.85 0.29 0.00 0.00 0.00 175.10 177.19 3kr5 n LYS 552 N 7.40 0.71 -1.75 2.72 5.02 -1.26 -4.41 118.16 126.59 3kr5 n LYS 552 Ca 0.19 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 3kr5 n LYS 552 Cb 0.42 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -0.93 5.68 0.19 7.82 0.00 -1.26 -4.78 120.51 127.23 3kr5 n ALA 553 Ca 0.14 -3.89 0.06 0.00 0.00 0.00 0.00 53.44 49.75 3kr5 n ALA 553 Cb 0.28 -3.48 0.35 0.00 0.00 0.00 0.00 19.45 16.60 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 5.90 0.00 -0.50 0.00 4.64 -1.99 -0.89 113.55 120.72 3kr5 h SER 554 Ca 0.58 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.79 3kr5 h SER 554 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3kr5 h SER 554 CO 1.86 0.37 -0.12 0.28 -0.87 0.00 0.00 176.83 178.35 3kr5 h SER 555 N 0.00 0.98 -0.22 4.97 0.02 -1.94 0.42 113.55 117.77 3kr5 h SER 555 Ca -0.00 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.55 3kr5 h SER 555 Cb 0.87 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 3kr5 h SER 555 CO 0.05 1.10 -0.17 0.40 -1.14 0.00 0.00 176.83 177.07 3kr5 h ILE 556 N 0.87 1.32 0.11 3.27 2.04 -1.71 -2.29 117.51 121.12 3kr5 h ILE 556 Ca 0.14 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3kr5 h ILE 556 Cb 0.67 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3kr5 h ILE 556 CO 0.05 0.40 -0.05 0.58 0.00 0.00 0.00 178.15 179.12 3kr5 h VAL 557 N 0.20 0.90 -1.00 1.67 2.07 -1.12 0.14 116.25 119.12 3kr5 h VAL 557 Ca 0.04 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.75 3kr5 h VAL 557 Cb 0.69 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 31.27 3kr5 h VAL 557 CO 0.04 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.25 3kr5 h ALA 558 N 0.74 1.77 -0.23 1.67 0.00 -0.22 0.84 119.26 123.82 3kr5 h ALA 558 Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kr5 h ALA 558 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kr5 h ALA 558 CO 0.02 -0.15 -0.25 0.77 0.00 0.00 0.00 179.25 179.64 3kr5 h SER 559 N 0.69 0.62 -0.90 0.00 0.02 -0.69 -0.48 113.55 112.81 3kr5 h SER 559 Ca 0.59 -0.49 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3kr5 h SER 559 Cb 1.01 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.31 3kr5 h SER 559 CO -0.38 0.98 0.55 -0.07 -1.14 0.00 0.00 176.83 176.77 3kr5 h LEU 560 N 0.27 0.86 -0.24 5.07 -0.00 0.12 0.20 115.31 121.58 3kr5 h LEU 560 Ca 0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3kr5 h LEU 560 Cb 0.82 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 3kr5 h LEU 560 CO 0.06 0.53 0.13 0.15 -0.00 0.00 0.00 178.44 179.31 3kr5 h PHE 561 N 0.98 0.32 -0.62 1.13 3.04 -0.53 -3.05 116.94 118.21 3kr5 h PHE 561 Ca 0.40 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.27 3kr5 h PHE 561 Cb 0.24 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3kr5 h PHE 561 CO -0.03 0.27 0.08 -0.07 -2.02 0.00 0.00 178.31 176.55 3kr5 h LEU 562 N 0.28 0.99 -1.56 0.59 3.38 0.29 -2.16 115.31 117.12 3kr5 h LEU 562 Ca 0.08 -0.27 0.29 0.00 0.09 0.00 0.00 57.88 58.08 3kr5 h LEU 562 Cb 0.05 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 3kr5 h LEU 562 CO -0.01 1.01 0.72 0.50 0.09 0.00 0.00 178.44 180.75 3kr5 h LYS 563 N 0.94 0.25 0.00 1.13 3.64 -0.56 0.15 116.57 122.12 3kr5 h LYS 563 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3kr5 h LYS 563 Cb 0.45 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3kr5 h LYS 563 CO 0.02 0.17 0.00 0.39 -2.27 0.00 0.00 179.45 177.75 3kr5 n GLU 564 N -4.50 0.01 -0.08 1.90 -0.58 -0.81 -2.31 120.64 114.27 3kr5 n GLU 564 Ca 0.26 0.35 0.04 0.00 -0.42 0.00 0.00 57.16 57.39 3kr5 n GLU 564 Cb 1.00 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 30.45 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 -1.48 0.21 -4.06 -0.32 3.01 0.52 -4.81 117.46 110.54 3kr5 n PHE 565 Ca 0.02 -0.31 -0.32 0.00 1.01 0.00 0.00 57.45 57.84 3kr5 n PHE 565 Cb 0.09 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.88 2.23 -0.02 -4.37 1.01 -0.98 -3.71 120.40 113.69 3kr5 s VAL 566 Ca 0.14 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 3kr5 s VAL 566 Cb 0.08 -2.32 -0.33 0.00 0.00 0.00 0.00 36.38 33.81 3kr5 s VAL 566 CO 0.11 -0.05 0.82 1.56 0.00 0.00 0.00 175.10 177.54 3kr5 h GLN 567 N 7.78 0.45 -0.04 2.72 1.08 -1.87 -3.43 115.11 121.80 3kr5 h GLN 567 Ca -0.19 -0.77 -0.16 0.00 -1.45 0.00 0.00 58.65 56.08 3kr5 h GLN 567 Cb 1.04 0.29 -0.21 0.00 -0.05 0.00 0.00 27.48 28.54 3kr5 h GLN 567 CO 0.47 1.37 -0.52 -1.71 -0.95 0.00 0.00 178.83 177.48 3kr5 n ASN 568 N -3.70 -0.43 -4.03 1.46 5.15 -1.26 -5.10 115.26 107.35 3kr5 n ASN 568 Ca -0.21 -2.05 -0.18 0.00 -0.60 0.00 0.00 54.58 51.54 3kr5 n ASN 568 Cb 1.07 0.18 -0.14 0.00 -0.53 0.00 0.00 39.78 40.35 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 -0.31 0.71 0.06 -0.44 2.01 -1.26 -5.10 115.64 111.32 3kr5 s THR 569 Ca 0.12 -0.48 -0.33 0.00 0.31 0.00 0.00 61.69 61.30 3kr5 s THR 569 Cb 0.20 -0.62 -0.12 0.00 0.01 0.00 0.00 72.50 71.98 3kr5 s THR 569 CO -0.07 0.13 1.77 0.00 -0.69 0.00 0.00 174.62 175.77 3kr5 n ALA 570 N 2.67 1.48 -3.16 7.40 0.00 -1.25 -4.90 120.51 122.75 3kr5 n ALA 570 Ca -0.14 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 3kr5 n ALA 570 Cb 0.57 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.39 3kr5 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr5 s TRP 571 N 2.62 -0.05 0.09 0.00 -0.00 -1.26 -1.26 118.94 119.07 3kr5 s TRP 571 Ca 0.85 0.18 0.05 0.00 -0.00 0.00 0.00 56.10 57.17 3kr5 s TRP 571 Cb -0.61 -0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 32.79 3kr5 s TRP 571 CO 0.42 -0.05 -0.14 0.00 -0.00 0.00 0.00 176.95 177.18 3kr5 s ALA 572 N 0.33 1.25 -0.08 5.86 0.00 -0.21 -1.11 121.76 127.80 3kr5 s ALA 572 Ca -0.03 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3kr5 s ALA 572 Cb -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3kr5 s ALA 572 CO -0.01 0.13 -0.09 -1.58 0.00 0.00 0.00 175.76 174.21 3kr5 s HIS 573 N -1.62 1.31 -0.30 0.00 5.04 0.30 -1.09 115.29 118.94 3kr5 s HIS 573 Ca 0.02 -0.54 -0.04 0.00 -1.54 0.00 0.00 55.06 52.96 3kr5 s HIS 573 Cb -0.08 -1.05 0.04 0.00 0.04 0.00 0.00 32.58 31.52 3kr5 s HIS 573 CO 0.02 -0.35 0.03 0.42 -2.34 0.00 0.00 174.74 172.52 3kr5 s ILE 574 N 1.17 3.37 -0.47 0.89 1.01 0.88 -0.55 121.20 127.51 3kr5 s ILE 574 Ca -0.06 -1.12 -0.19 0.00 0.00 0.00 0.00 60.65 59.28 3kr5 s ILE 574 Cb -0.14 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.51 3kr5 s ILE 574 CO -0.02 -0.04 0.60 -0.62 0.00 0.00 0.00 174.94 174.87 3kr5 s ASP 575 N 1.35 6.26 -0.16 3.58 -1.08 0.76 -1.28 116.67 126.10 3kr5 s ASP 575 Ca -0.02 -0.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 3kr5 s ASP 575 Cb -0.19 -2.29 0.59 0.00 -1.46 0.00 0.00 42.92 39.58 3kr5 s ASP 575 CO 0.00 -0.80 1.50 2.30 0.52 0.00 0.00 175.17 178.69 3kr5 n ILE 576 N 5.68 2.18 -0.12 4.11 -5.35 -0.17 -2.29 119.36 123.41 3kr5 n ILE 576 Ca -0.05 -1.58 0.10 0.00 -0.27 0.00 0.00 62.75 60.95 3kr5 n ILE 576 Cb 0.47 -0.12 0.44 0.00 -1.74 0.00 0.00 39.64 38.69 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 2.61 1.89 0.00 -1.28 0.00 -1.83 -0.00 119.26 120.66 3kr5 h ALA 577 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kr5 h ALA 577 Cb 1.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kr5 h ALA 577 CO 0.26 -0.02 -0.66 0.78 0.00 0.00 0.00 179.25 179.61 3kr5 h GLY 578 N 0.54 0.00 0.00 0.00 0.00 -1.80 -3.39 103.07 98.41 3kr5 h GLY 578 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3kr5 h GLY 578 CO -0.09 0.00 -1.09 1.55 0.00 0.00 0.00 176.54 176.91 3kr5 n VAL 579 N -2.92 0.00 -0.09 4.60 3.14 -0.89 -3.94 118.33 118.23 3kr5 n VAL 579 Ca 0.00 -0.23 -0.15 0.00 -2.96 0.00 0.00 64.34 61.00 3kr5 n VAL 579 Cb 0.61 0.52 -0.04 0.00 -1.06 0.00 0.00 33.84 33.86 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 0.97 -3.27 6.55 0.87 -1.21 -3.43 113.55 114.03 3kr5 h SER 580 Ca 0.00 -0.52 -0.60 0.00 -1.23 0.00 0.00 61.79 59.44 3kr5 h SER 580 Cb 0.34 -0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 61.91 3kr5 h SER 580 CO 0.00 1.31 -0.46 0.86 -0.53 0.00 0.00 176.83 178.01 3kr5 s TRP 581 N -4.17 3.42 -0.67 2.24 -0.11 -1.26 -1.13 118.94 117.25 3kr5 s TRP 581 Ca -0.11 0.38 -0.23 0.00 1.22 0.00 0.00 56.10 57.36 3kr5 s TRP 581 Cb 0.10 -2.19 0.07 0.00 -1.50 0.00 0.00 33.47 29.95 3kr5 s TRP 581 CO 0.89 0.28 1.00 1.21 -4.62 0.00 0.00 176.95 175.71 3kr5 s ASN 582 N 0.37 6.18 0.14 5.86 3.84 0.65 -4.89 114.94 127.10 3kr5 s ASN 582 Ca 0.10 -0.95 -0.11 0.00 0.21 0.00 0.00 52.86 52.10 3kr5 s ASN 582 Cb -0.11 -2.43 -0.03 0.00 -0.55 0.00 0.00 41.25 38.12 3kr5 s ASN 582 CO -0.01 -1.48 1.49 -0.26 -2.79 0.00 0.00 177.10 174.05 3kr5 h PHE 583 N 9.61 1.09 -0.20 0.43 -1.00 -1.96 0.24 116.94 125.15 3kr5 h PHE 583 Ca -0.28 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.19 3kr5 h PHE 583 Cb 1.07 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 3kr5 h PHE 583 CO 0.99 1.12 0.11 -0.22 -1.61 0.00 0.00 178.31 178.70 3kr5 h LYS 584 N 0.75 0.28 -0.00 1.51 1.63 -1.95 -2.81 116.57 115.97 3kr5 h LYS 584 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3kr5 h LYS 584 Cb 0.90 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3kr5 h LYS 584 CO 0.08 0.27 -0.06 0.00 -3.45 0.00 0.00 179.45 176.29 3kr5 n ALA 585 N -2.19 2.68 -3.80 5.00 0.00 -1.19 -4.93 120.51 116.08 3kr5 n ALA 585 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 3kr5 n ALA 585 Cb 0.08 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.94 -5.59 -3.71 0.00 1.74 0.02 -4.98 116.66 103.19 3kr5 n ARG 586 Ca 0.17 0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 57.78 3kr5 n ARG 586 Cb 0.24 -5.43 -0.04 0.00 -1.02 0.00 0.00 32.46 26.21 3kr5 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr5 s LYS 587 N -6.33 1.22 0.82 5.56 -2.85 -0.86 -5.02 119.74 112.27 3kr5 s LYS 587 Ca 0.40 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.43 3kr5 s LYS 587 Cb -0.20 0.48 0.08 0.00 -2.06 0.00 0.00 37.83 36.13 3kr5 s LYS 587 CO 0.81 -0.49 1.09 -2.14 0.10 0.00 0.00 175.35 174.72 3kr5 s PRO 588 N -3.85 1.91 -0.01 1.78 0.02 -1.26 -0.25 135.00 133.34 3kr5 s PRO 588 Ca 0.07 0.70 0.19 0.00 0.02 0.00 0.00 61.00 61.99 3kr5 s PRO 588 Cb 0.01 -1.89 -0.25 0.00 0.02 0.00 0.00 34.50 32.39 3kr5 s PRO 588 CO -0.07 -1.76 0.67 1.63 -0.33 0.00 0.00 177.00 177.15 3kr5 n LYS 589 N -3.53 0.65 -2.39 5.54 5.02 -0.28 -4.66 118.16 118.50 3kr5 n LYS 589 Ca 0.07 -0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3kr5 n LYS 589 Cb 0.56 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 1.42 -0.41 3.73 0.72 0.00 -1.26 -4.90 105.19 104.48 3kr5 n GLY 590 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.96 2.92 0.00 1.61 5.36 -1.26 -3.27 117.98 120.38 3kr5 s PHE 591 Ca 0.02 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3kr5 s PHE 591 Cb -0.01 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3kr5 s PHE 591 CO 0.02 -3.95 0.00 0.41 -1.46 0.00 0.00 175.22 170.24 3kr5 n GLY 592 N 3.57 1.76 0.33 13.12 0.00 -1.26 -4.69 105.19 118.01 3kr5 n GLY 592 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3kr5 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr5 h VAL 593 N 0.00 0.38 -0.60 1.61 2.07 -1.74 0.21 116.25 118.18 3kr5 h VAL 593 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kr5 h VAL 593 Cb 0.00 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3kr5 h VAL 593 CO 0.00 0.00 0.20 0.03 0.02 0.00 0.00 177.57 177.82 3kr5 h ARG 594 N -0.63 0.93 -0.28 1.57 3.08 -1.89 -0.67 114.38 116.49 3kr5 h ARG 594 Ca -0.02 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 59.89 3kr5 h ARG 594 Cb 0.57 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3kr5 h ARG 594 CO -0.04 0.82 -0.03 1.25 -1.07 0.00 0.00 179.97 180.90 3kr5 h LEU 595 N 0.85 -0.18 -0.71 3.04 5.85 -1.76 0.23 115.31 122.64 3kr5 h LEU 595 Ca 0.20 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 3kr5 h LEU 595 Cb 0.27 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3kr5 h LEU 595 CO -0.01 -0.06 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.71 3kr5 h LEU 596 N 0.04 0.74 -0.19 2.25 3.38 -0.33 -0.10 115.31 121.09 3kr5 h LEU 596 Ca 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kr5 h LEU 596 Cb 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kr5 h LEU 596 CO -0.25 0.96 -0.09 0.74 0.09 0.00 0.00 178.44 179.89 3kr5 h THR 597 N 0.62 1.31 -0.49 0.22 2.02 -0.67 -0.35 112.91 115.57 3kr5 h THR 597 Ca 0.08 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.17 3kr5 h THR 597 Cb 0.76 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 3kr5 h THR 597 CO 0.06 0.34 0.22 -0.33 0.37 0.00 0.00 175.52 176.18 3kr5 h GLU 598 N 0.08 0.42 -0.30 6.66 4.39 -0.43 0.26 114.58 125.66 3kr5 h GLU 598 Ca 0.04 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.78 3kr5 h GLU 598 Cb 0.57 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 3kr5 h GLU 598 CO 0.03 0.28 -0.16 0.35 -1.16 0.00 0.00 179.01 178.35 3kr5 h PHE 599 N 0.43 -0.39 -0.22 4.33 3.57 -0.74 0.12 116.94 124.05 3kr5 h PHE 599 Ca 0.23 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3kr5 h PHE 599 Cb 0.18 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kr5 h PHE 599 CO -0.13 -0.23 0.10 0.28 -2.23 0.00 0.00 178.31 176.11 3kr5 h VAL 600 N -0.12 1.14 -0.41 1.41 2.07 -0.54 -0.69 116.25 119.12 3kr5 h VAL 600 Ca 0.16 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 3kr5 h VAL 600 Cb 0.36 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3kr5 h VAL 600 CO -0.38 0.14 -0.20 -0.07 0.02 0.00 0.00 177.57 177.08 3kr5 h LEU 601 N 0.22 0.80 0.00 2.57 4.07 -0.16 -3.33 115.31 119.49 3kr5 h LEU 601 Ca 0.08 -0.28 -0.23 0.00 0.08 0.00 0.00 57.88 57.52 3kr5 h LEU 601 Cb 0.13 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 3kr5 h LEU 601 CO -0.01 0.99 -2.14 0.59 -1.08 0.00 0.00 178.44 176.79 3kr5 n ASN 602 N -4.12 0.13 0.00 -0.43 3.02 0.39 -5.04 115.26 109.21 3kr5 n ASN 602 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3kr5 n ASN 602 Cb 0.42 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.75 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74