#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 4.24 -0.39 -1.46 8.01 -1.26 -4.96 118.70 122.87 3kr5 s GLU 87 Ca 0.00 0.06 -0.29 0.00 0.01 0.00 0.00 54.97 54.75 3kr5 s GLU 87 Cb 0.00 -3.44 0.02 0.00 -4.31 0.00 0.00 34.13 26.40 3kr5 s GLU 87 CO 0.00 0.20 1.16 0.08 0.01 0.00 0.00 175.26 176.71 3kr5 s VAL 88 N 0.59 4.28 1.02 2.63 1.01 -1.26 -4.99 120.40 123.68 3kr5 s VAL 88 Ca 0.16 1.40 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 3kr5 s VAL 88 Cb -0.13 -4.44 0.20 0.00 0.00 0.00 0.00 36.38 32.02 3kr5 s VAL 88 CO 0.04 -0.72 1.08 -2.16 0.00 0.00 0.00 175.10 173.34 3kr5 s PRO 89 N 4.16 0.19 -0.05 2.72 0.04 -1.26 -4.89 135.00 135.90 3kr5 s PRO 89 Ca 0.49 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 3kr5 s PRO 89 Cb -0.11 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.79 3kr5 s PRO 89 CO 0.25 -3.04 0.32 -0.65 0.04 0.00 0.00 177.00 173.92 3kr5 s GLN 90 N -4.64 0.57 -0.20 4.56 -0.21 -1.26 -4.96 119.66 113.52 3kr5 s GLN 90 Ca 0.67 0.04 -0.16 0.00 0.02 0.00 0.00 55.36 55.93 3kr5 s GLN 90 Cb -0.22 0.26 -0.20 0.00 1.00 0.00 0.00 33.01 33.85 3kr5 s GLN 90 CO 0.61 -0.14 0.15 0.28 -2.12 0.00 0.00 175.29 174.07 3kr5 n VAL 91 N 1.85 1.60 -4.37 1.09 0.31 -1.26 -4.95 118.33 112.59 3kr5 n VAL 91 Ca -0.19 -0.26 -0.25 0.00 -0.01 0.00 0.00 64.34 63.63 3kr5 n VAL 91 Cb 0.57 -1.91 -0.12 0.00 -0.91 0.00 0.00 33.84 31.47 3kr5 n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kr5 s VAL 92 N -2.44 2.09 0.60 2.52 -7.23 -1.26 -5.02 120.40 109.66 3kr5 s VAL 92 Ca -0.29 -1.92 0.29 0.00 -1.81 0.00 0.00 61.98 58.25 3kr5 s VAL 92 Cb 0.07 -1.96 0.37 0.00 0.56 0.00 0.00 36.38 35.42 3kr5 s VAL 92 CO 0.62 -0.17 1.98 0.77 -0.31 0.00 0.00 175.10 177.99 3kr5 h SER 93 N 3.36 0.00 -0.25 4.85 4.64 -2.04 -0.13 113.55 123.98 3kr5 h SER 93 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kr5 h SER 93 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kr5 h SER 93 CO 0.47 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 3kr5 n LEU 94 N -3.66 1.43 -4.69 5.97 4.77 -1.26 -4.85 117.00 114.72 3kr5 n LEU 94 Ca 0.05 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 3kr5 n LEU 94 Cb 0.51 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3kr5 n LEU 94 CO 0.26 0.34 0.66 -1.81 -1.33 0.00 0.00 177.39 175.52 3kr5 s ASP 95 N -0.96 7.11 0.68 -1.43 1.01 -0.06 -5.03 116.67 117.98 3kr5 s ASP 95 Ca 0.17 1.36 -0.17 0.00 0.71 0.00 0.00 52.55 54.63 3kr5 s ASP 95 Cb 0.09 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3kr5 s ASP 95 CO 0.11 -0.37 1.23 -2.16 0.21 0.00 0.00 175.17 174.19 3kr5 s PRO 96 N 1.83 2.44 0.00 8.23 0.04 -1.26 -4.94 135.00 141.34 3kr5 s PRO 96 Ca 0.43 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3kr5 s PRO 96 Cb -0.18 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3kr5 s PRO 96 CO 0.17 -1.63 0.89 0.25 0.04 0.00 0.00 177.00 176.72 3kr5 n THR 97 N -2.24 0.80 -3.50 1.26 -2.24 -1.26 -4.80 114.28 102.30 3kr5 n THR 97 Ca 0.14 -0.86 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 3kr5 n THR 97 Cb 0.49 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.80 -0.53 -0.11 3.42 1.04 -1.26 -4.57 113.70 110.88 3kr5 s SER 98 Ca 0.00 0.33 -0.24 0.00 0.48 0.00 0.00 55.95 56.53 3kr5 s SER 98 Cb 0.00 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 3kr5 s SER 98 CO 0.00 -0.67 0.73 -0.63 0.98 0.00 0.00 173.24 173.65 3kr5 s ILE 99 N -2.25 5.00 -0.01 -1.02 1.01 -1.26 -4.92 121.20 117.75 3kr5 s ILE 99 Ca -0.03 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 3kr5 s ILE 99 Cb -0.01 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3kr5 s ILE 99 CO -0.01 0.17 1.65 -2.84 0.00 0.00 0.00 174.94 173.91 3kr5 s PRO 100 N 1.33 4.19 -0.08 2.79 0.02 -1.26 -4.98 135.00 137.00 3kr5 s PRO 100 Ca 0.37 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 3kr5 s PRO 100 Cb -0.17 -3.87 0.02 0.00 0.02 0.00 0.00 34.50 30.50 3kr5 s PRO 100 CO 0.16 -0.80 -0.04 0.42 -0.33 0.00 0.00 177.00 176.40 3kr5 s ILE 101 N 3.59 0.68 -0.49 2.83 1.01 -1.26 -4.95 121.20 122.61 3kr5 s ILE 101 Ca 0.74 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 3kr5 s ILE 101 Cb -0.35 -0.74 0.11 0.00 0.01 0.00 0.00 42.46 41.48 3kr5 s ILE 101 CO 0.31 0.29 0.41 -0.70 0.00 0.00 0.00 174.94 175.26 3kr5 s GLU 102 N 1.55 2.85 -0.17 2.79 -6.30 -1.26 -4.93 118.70 113.23 3kr5 s GLU 102 Ca -0.00 -1.59 -0.23 0.00 -2.50 0.00 0.00 54.97 50.65 3kr5 s GLU 102 Cb -0.13 -4.13 -0.21 0.00 0.00 0.00 0.00 34.13 29.67 3kr5 s GLU 102 CO -0.04 -1.17 0.42 1.88 0.02 0.00 0.00 175.26 176.36 3kr5 h TYR 103 N 8.72 0.00 -1.57 5.30 -1.99 -2.02 -3.40 116.97 122.00 3kr5 h TYR 103 Ca -0.27 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.82 3kr5 h TYR 103 Cb 1.10 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 3kr5 h TYR 103 CO 0.67 1.18 1.31 1.21 -0.00 0.00 0.00 178.16 182.53 3kr5 s ASN 104 N -6.50 6.58 0.54 3.88 2.47 -1.26 -4.97 114.94 115.67 3kr5 s ASN 104 Ca -0.23 -1.76 -0.17 0.00 0.42 0.00 0.00 52.86 51.12 3kr5 s ASN 104 Cb 0.02 -2.51 -0.07 0.00 -1.45 0.00 0.00 41.25 37.25 3kr5 s ASN 104 CO 0.60 -1.31 1.01 0.42 -3.72 0.00 0.00 177.10 174.10 3kr5 s THR 105 N 4.03 4.25 0.60 -5.21 -4.23 -1.26 -4.93 115.64 108.89 3kr5 s THR 105 Ca 0.42 1.11 0.30 0.00 -1.18 0.00 0.00 61.69 62.33 3kr5 s THR 105 Cb -0.01 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.60 3kr5 s THR 105 CO -0.08 -0.59 2.03 -0.65 -0.54 0.00 0.00 174.62 174.79 3kr5 h PRO 106 N 0.84 0.00 -0.97 3.99 0.11 -1.98 0.48 132.00 134.46 3kr5 h PRO 106 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3kr5 h PRO 106 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3kr5 h PRO 106 CO 0.60 0.00 0.63 0.82 -0.21 0.00 0.00 178.00 179.84 3kr5 h ILE 107 N 0.00 1.11 0.00 4.15 1.08 -1.94 -1.76 117.51 120.16 3kr5 h ILE 107 Ca 0.11 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3kr5 h ILE 107 Cb 0.69 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3kr5 h ILE 107 CO -0.00 0.21 -0.15 0.45 -0.69 0.00 0.00 178.15 177.98 3kr5 h HIS 108 N 1.17 0.00 0.00 1.37 3.86 -1.26 -1.54 115.15 118.75 3kr5 h HIS 108 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3kr5 h HIS 108 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3kr5 h HIS 108 CO -0.01 0.15 0.00 -0.25 0.86 0.00 0.00 177.93 178.68 3kr5 n ASP 109 N -4.03 0.00 -4.65 2.45 8.00 -0.67 -4.77 116.55 112.88 3kr5 n ASP 109 Ca -0.02 -0.38 -0.43 0.00 0.71 0.00 0.00 54.79 54.67 3kr5 n ASP 109 Cb 0.23 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3kr5 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr5 s ILE 110 N -2.34 4.62 0.03 0.53 1.01 -0.58 -4.82 121.20 119.65 3kr5 s ILE 110 Ca 0.30 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.55 3kr5 s ILE 110 Cb 0.17 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3kr5 s ILE 110 CO 0.35 -0.29 1.09 -0.75 0.00 0.00 0.00 174.94 175.33 3kr5 s LYS 111 N 3.36 4.50 -0.18 2.79 2.20 0.24 -4.88 119.74 127.77 3kr5 s LYS 111 Ca 0.44 1.59 0.01 0.00 -0.36 0.00 0.00 55.97 57.65 3kr5 s LYS 111 Cb -0.14 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3kr5 s LYS 111 CO 0.10 -0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 174.86 3kr5 s VAL 112 N 1.00 1.90 -0.12 4.02 1.01 -1.26 -0.07 120.40 126.88 3kr5 s VAL 112 Ca 0.55 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3kr5 s VAL 112 Cb -0.25 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3kr5 s VAL 112 CO 0.29 0.41 -0.03 -1.10 0.00 0.00 0.00 175.10 174.67 3kr5 s GLN 113 N 1.33 3.34 -0.02 2.72 -1.52 -0.72 -5.01 119.66 119.78 3kr5 s GLN 113 Ca 0.03 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 3kr5 s GLN 113 Cb -0.14 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.77 3kr5 s GLN 113 CO -0.11 0.45 0.01 0.08 -0.25 0.00 0.00 175.29 175.47 3kr5 s VAL 114 N -0.19 4.29 -0.00 1.09 1.01 -1.26 -1.27 120.40 124.06 3kr5 s VAL 114 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3kr5 s VAL 114 Cb -0.13 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 3kr5 s VAL 114 CO 0.02 0.42 -0.02 -0.31 0.00 0.00 0.00 175.10 175.21 3kr5 s TYR 115 N -1.06 0.23 -0.27 5.22 4.12 0.32 -4.96 117.35 120.95 3kr5 s TYR 115 Ca 0.19 -0.04 -0.28 0.00 0.02 0.00 0.00 57.07 56.95 3kr5 s TYR 115 Cb -0.12 -0.16 0.01 0.00 -1.52 0.00 0.00 41.96 40.18 3kr5 s TYR 115 CO 0.09 -0.01 1.02 0.34 0.02 0.00 0.00 175.55 177.01 3kr5 s ASP 116 N -0.02 6.97 0.57 2.29 2.15 -1.26 -1.78 116.67 125.59 3kr5 s ASP 116 Ca 0.01 1.16 0.44 0.00 0.43 0.00 0.00 52.55 54.59 3kr5 s ASP 116 Cb -0.01 -2.52 1.57 0.00 -0.30 0.00 0.00 42.92 41.65 3kr5 s ASP 116 CO -0.00 -0.74 1.56 -0.29 -0.17 0.00 0.00 175.17 175.53 3kr5 h ILE 117 N 5.58 0.06 -0.88 4.11 2.10 -1.74 0.13 117.51 126.87 3kr5 h ILE 117 Ca -0.20 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.72 3kr5 h ILE 117 Cb 1.07 0.06 -0.04 0.00 -1.09 0.00 0.00 36.82 36.82 3kr5 h ILE 117 CO 0.99 0.00 0.46 0.11 -1.08 0.00 0.00 178.15 178.63 3kr5 h LYS 118 N 0.00 1.23 0.00 2.19 1.57 -1.91 -2.34 116.57 117.31 3kr5 h LYS 118 Ca 0.80 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 3kr5 h LYS 118 Cb 3.42 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 35.49 3kr5 h LYS 118 CO -0.01 0.91 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 3kr5 n GLY 119 N -1.11 -1.07 0.11 3.86 0.00 0.45 -5.01 105.19 102.42 3kr5 n GLY 119 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.34 -2.74 2.79 -0.02 0.00 -0.88 -4.97 105.19 99.71 3kr5 n GLY 120 Ca 0.05 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 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 2.36 6.93 -0.57 0.00 0.01 -1.26 -2.39 114.94 120.02 3kr5 s ASN 122 Ca 0.07 2.30 0.06 0.00 -0.71 0.00 0.00 52.86 54.58 3kr5 s ASN 122 Cb -0.15 -2.62 0.23 0.00 0.41 0.00 0.00 41.25 39.12 3kr5 s ASN 122 CO -0.12 -0.39 0.60 0.52 -1.51 0.00 0.00 177.10 176.21 3kr5 n VAL 123 N 0.64 1.11 -0.05 1.60 0.31 -1.26 -4.93 118.33 115.75 3kr5 n VAL 123 Ca 0.01 -4.68 0.01 0.00 -0.01 0.00 0.00 64.34 59.68 3kr5 n VAL 123 Cb 0.46 -2.04 -0.16 0.00 -0.91 0.00 0.00 33.84 31.19 3kr5 n VAL 123 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kr5 n GLU 124 N 1.39 0.73 0.00 5.55 1.02 -1.26 -4.88 120.64 123.18 3kr5 n GLU 124 Ca 0.26 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3kr5 n GLU 124 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3kr5 n GLU 124 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3kr5 n GLU 125 N -2.45 -1.57 0.00 3.49 0.00 -1.26 -4.88 120.64 113.97 3kr5 n GLU 125 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 3kr5 n GLU 125 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.25 3kr5 n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kr5 n GLY 126 N -0.06 0.60 3.61 -1.84 0.00 -1.26 -4.68 105.19 101.56 3kr5 n GLY 126 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 3.75 -0.14 0.99 2.96 -0.19 -2.75 118.68 123.30 3kr5 s LEU 127 Ca 0.00 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 3kr5 s LEU 127 Cb 0.00 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3kr5 s LEU 127 CO 0.00 0.16 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.25 3kr5 s THR 128 N 0.48 3.86 -0.20 3.68 2.01 -0.12 -0.20 115.64 125.16 3kr5 s THR 128 Ca 0.03 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 3kr5 s THR 128 Cb -0.13 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.76 3kr5 s THR 128 CO 0.01 0.51 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.82 3kr5 s ILE 129 N 0.16 0.86 -0.04 1.82 -1.09 0.23 0.67 121.20 123.82 3kr5 s ILE 129 Ca -0.02 -0.71 -0.28 0.00 -2.23 0.00 0.00 60.65 57.41 3kr5 s ILE 129 Cb -0.14 -1.24 -0.03 0.00 -1.58 0.00 0.00 42.46 39.47 3kr5 s ILE 129 CO 0.03 -0.12 0.92 -0.36 -1.23 0.00 0.00 174.94 174.18 3kr5 s PHE 130 N 1.71 3.61 -0.84 3.97 0.40 0.55 -1.25 117.98 126.13 3kr5 s PHE 130 Ca -0.02 1.56 -0.18 0.00 -0.60 0.00 0.00 56.93 57.70 3kr5 s PHE 130 Cb -0.17 -3.06 0.15 0.00 0.51 0.00 0.00 43.02 40.45 3kr5 s PHE 130 CO -0.07 -0.03 0.95 -0.51 0.70 0.00 0.00 175.22 176.26 3kr5 s LEU 131 N 1.17 5.58 -0.14 -0.37 1.43 0.18 -0.47 118.68 126.05 3kr5 s LEU 131 Ca 0.48 -2.10 -0.04 0.00 -1.03 0.00 0.00 54.13 51.43 3kr5 s LEU 131 Cb -0.20 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3kr5 s LEU 131 CO 0.24 -0.94 -0.00 0.68 0.23 0.00 0.00 176.35 176.55 3kr5 s VAL 132 N 2.00 4.24 0.00 -1.59 -7.23 -1.00 -1.23 120.40 115.59 3kr5 s VAL 132 Ca 0.25 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 3kr5 s VAL 132 Cb -0.10 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3kr5 s VAL 132 CO -0.06 0.51 0.00 -0.46 -0.31 0.00 0.00 175.10 174.78 3kr5 n ASN 133 N 3.16 0.88 -3.28 4.85 6.94 -1.26 -2.25 115.26 124.30 3kr5 n ASN 133 Ca -0.17 -0.78 -0.07 0.00 -0.02 0.00 0.00 54.58 53.53 3kr5 n ASN 133 Cb 0.53 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.90 3kr5 n ASN 133 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kr5 s ASN 134 N -0.81 -0.23 0.17 0.53 3.84 -0.94 -4.65 114.94 112.85 3kr5 s ASN 134 Ca 0.00 -1.07 -0.33 0.00 0.21 0.00 0.00 52.86 51.66 3kr5 s ASN 134 Cb 0.00 1.30 -0.15 0.00 -0.55 0.00 0.00 41.25 41.85 3kr5 s ASN 134 CO 0.00 -0.23 1.34 -2.65 -2.79 0.00 0.00 177.10 172.77 3kr5 n PRO 135 N 4.43 1.59 -1.74 0.43 -0.02 -1.26 -2.74 135.00 135.69 3kr5 n PRO 135 Ca 0.10 0.57 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 3kr5 n PRO 135 Cb 0.51 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3kr5 n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 136 N 2.38 1.05 0.96 -1.23 0.00 -1.07 -4.83 105.19 102.45 3kr5 n GLY 136 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3kr5 n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kr5 n LYS 137 N -2.34 1.77 0.00 1.61 2.85 -1.11 -5.06 118.16 115.89 3kr5 n LYS 137 Ca -0.18 -3.27 0.00 0.00 -1.05 0.00 0.00 58.31 53.81 3kr5 n LYS 137 Cb 0.58 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 3kr5 n LYS 137 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kr5 n GLU 138 N -1.11 0.00 -1.44 -1.58 4.71 -1.26 -1.33 120.64 118.62 3kr5 n GLU 138 Ca 0.28 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 57.10 3kr5 n GLU 138 Cb 0.89 0.00 0.07 0.00 -1.01 0.00 0.00 31.44 31.39 3kr5 n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kr5 n ASN 139 N 5.10 7.12 -4.14 1.62 3.02 -1.26 -4.36 115.26 122.36 3kr5 n ASN 139 Ca 0.00 -3.78 -0.29 0.00 -0.03 0.00 0.00 54.58 50.48 3kr5 n ASN 139 Cb 0.00 -0.87 0.20 0.00 -0.61 0.00 0.00 39.78 38.51 3kr5 n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kr5 n GLY 140 N -0.89 -2.56 3.66 7.41 0.00 -0.44 -3.85 105.19 108.52 3kr5 n GLY 140 Ca 0.59 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3kr5 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kr5 s PRO 141 N -3.78 0.66 -0.69 1.61 0.04 -1.26 -0.90 135.00 130.67 3kr5 s PRO 141 Ca 0.57 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 3kr5 s PRO 141 Cb -0.14 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.83 3kr5 s PRO 141 CO 0.61 -2.67 0.67 0.14 0.04 0.00 0.00 177.00 175.79 3kr5 s VAL 142 N -2.80 5.33 -0.43 -0.36 -7.23 -0.87 -4.60 120.40 109.45 3kr5 s VAL 142 Ca 0.65 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 3kr5 s VAL 142 Cb -0.20 -4.43 0.02 0.00 0.56 0.00 0.00 36.38 32.33 3kr5 s VAL 142 CO 0.59 -0.99 1.22 -1.59 -0.31 0.00 0.00 175.10 174.02 3kr5 s LYS 143 N 1.11 3.74 -0.88 4.82 -2.85 -1.26 -4.72 119.74 119.69 3kr5 s LYS 143 Ca 0.12 0.79 -0.23 0.00 -1.00 0.00 0.00 55.97 55.64 3kr5 s LYS 143 Cb -0.19 -3.92 0.07 0.00 -2.06 0.00 0.00 37.83 31.72 3kr5 s LYS 143 CO -0.03 -1.36 1.27 0.42 0.10 0.00 0.00 175.35 175.75 3kr5 s ILE 144 N 4.63 4.12 0.18 3.79 -1.09 -1.26 -4.89 121.20 126.68 3kr5 s ILE 144 Ca 0.52 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.23 3kr5 s ILE 144 Cb -0.10 -4.91 0.05 0.00 -1.58 0.00 0.00 42.46 35.92 3kr5 s ILE 144 CO 0.29 -1.75 1.62 0.77 -1.23 0.00 0.00 174.94 174.64 3kr5 h SER 145 N 9.60 1.02 -4.01 3.58 4.64 -1.95 -3.47 113.55 122.96 3kr5 h SER 145 Ca 0.01 -0.32 -0.47 0.00 -0.47 0.00 0.00 61.79 60.54 3kr5 h SER 145 Cb 1.03 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3kr5 h SER 145 CO 1.29 1.11 0.38 -0.44 -0.87 0.00 0.00 176.83 178.30 3kr5 s SER 146 N -6.64 6.74 -0.06 4.97 0.01 -1.26 -5.00 113.70 112.47 3kr5 s SER 146 Ca -0.11 1.90 -0.30 0.00 1.31 0.00 0.00 55.95 58.75 3kr5 s SER 146 Cb 0.13 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 3kr5 s SER 146 CO 0.86 -0.50 1.53 -1.59 0.41 0.00 0.00 173.24 173.95 3kr5 s LYS 147 N -2.83 4.21 -0.46 12.44 0.00 -1.26 -4.96 119.74 126.87 3kr5 s LYS 147 Ca 0.61 2.05 -0.11 0.00 0.00 0.00 0.00 55.97 58.52 3kr5 s LYS 147 Cb -0.17 -3.83 0.10 0.00 0.00 0.00 0.00 37.83 33.93 3kr5 s LYS 147 CO 0.21 -0.76 0.35 0.08 0.00 0.00 0.00 175.35 175.23 3kr5 s VAL 148 N 3.50 4.54 0.00 1.79 1.01 -1.26 -2.11 120.40 127.88 3kr5 s VAL 148 Ca 0.68 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kr5 s VAL 148 Cb -0.31 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3kr5 s VAL 148 CO 0.26 -0.66 0.03 0.59 0.00 0.00 0.00 175.10 175.33 3kr5 n ASN 149 N 5.01 0.00 -3.67 3.32 4.13 -1.00 -4.47 115.26 118.59 3kr5 n ASN 149 Ca -0.10 -0.89 -0.09 0.00 1.68 0.00 0.00 54.58 55.18 3kr5 n ASN 149 Cb 0.42 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.57 3kr5 n ASN 149 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kr5 s ASP 150 N 1.77 -0.72 -0.01 6.41 2.15 -1.26 -4.74 116.67 120.27 3kr5 s ASP 150 Ca 0.00 1.21 -0.25 0.00 0.43 0.00 0.00 52.55 53.94 3kr5 s ASP 150 Cb 0.00 1.11 -0.19 0.00 -0.30 0.00 0.00 42.92 43.54 3kr5 s ASP 150 CO 0.00 -0.21 1.26 0.07 -0.17 0.00 0.00 175.17 176.11 3kr5 h LYS 151 N 6.74 -0.08 -0.55 4.34 2.10 -1.99 -1.09 116.57 126.04 3kr5 h LYS 151 Ca -0.32 0.01 0.11 0.00 -2.00 0.00 0.00 60.65 58.44 3kr5 h LYS 151 Cb 1.20 0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 32.45 3kr5 h LYS 151 CO 0.21 0.34 -0.04 1.96 -2.00 0.00 0.00 179.45 179.92 3kr5 h GLN 152 N -0.53 0.08 -0.37 0.07 1.08 -1.91 -0.17 115.11 113.35 3kr5 h GLN 152 Ca -0.01 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3kr5 h GLN 152 Cb 0.46 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3kr5 h GLN 152 CO 0.01 0.05 -0.01 0.28 -0.95 0.00 0.00 178.83 178.22 3kr5 h VAL 153 N 0.08 1.26 -0.29 -0.54 2.07 -1.78 -2.30 116.25 114.75 3kr5 h VAL 153 Ca 0.28 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 3kr5 h VAL 153 Cb 0.43 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kr5 h VAL 153 CO -0.50 0.34 -0.20 0.28 0.02 0.00 0.00 177.57 177.51 3kr5 h SER 154 N 0.48 0.53 -0.69 0.57 0.02 -0.69 0.02 113.55 113.79 3kr5 h SER 154 Ca 0.10 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3kr5 h SER 154 Cb 0.48 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 3kr5 h SER 154 CO 0.02 0.74 0.34 -0.33 -1.14 0.00 0.00 176.83 176.46 3kr5 h GLU 155 N 0.47 0.58 -0.10 3.45 5.08 -0.90 -2.45 114.58 120.72 3kr5 h GLU 155 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kr5 h GLU 155 Cb 0.62 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kr5 h GLU 155 CO 0.04 0.38 0.04 0.35 -1.00 0.00 0.00 179.01 178.83 3kr5 h PHE 156 N 0.60 0.15 -0.18 4.33 3.57 -0.70 -3.25 116.94 121.46 3kr5 h PHE 156 Ca 0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3kr5 h PHE 156 Cb 0.33 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3kr5 h PHE 156 CO -0.11 0.25 0.00 1.28 -2.23 0.00 0.00 178.31 177.50 3kr5 n LEU 157 N -4.93 2.48 -4.77 0.59 4.77 -0.11 -4.65 117.00 110.39 3kr5 n LEU 157 Ca -0.06 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.26 3kr5 n LEU 157 Cb 0.11 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3kr5 n LEU 157 CO 0.34 0.37 1.17 0.29 -1.33 0.00 0.00 177.39 178.23 3kr5 n LYS 158 N 0.20 2.71 0.28 3.23 4.76 -0.95 -4.66 118.16 123.72 3kr5 n LYS 158 Ca 0.09 0.95 0.14 0.00 -2.87 0.00 0.00 58.31 56.62 3kr5 n LYS 158 Cb 0.55 -2.71 0.80 0.00 -1.84 0.00 0.00 35.03 31.83 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kr5 h ASP 159 N 3.42 0.00 -0.69 4.39 3.32 -1.90 0.42 116.42 125.38 3kr5 h ASP 159 Ca -0.50 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.68 3kr5 h ASP 159 Cb 1.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 3kr5 h ASP 159 CO 0.68 0.07 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.71 3kr5 h GLU 160 N 0.00 -0.05 -0.00 3.56 3.07 -1.96 0.30 114.58 119.51 3kr5 h GLU 160 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3kr5 h GLU 160 Cb 0.20 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3kr5 h GLU 160 CO 0.01 -0.03 -0.51 -0.91 -1.40 0.00 0.00 179.01 176.17 3kr5 h ASN 161 N -0.05 0.01 0.10 1.42 2.35 -0.45 -3.14 115.58 115.81 3kr5 h ASN 161 Ca 0.31 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3kr5 h ASN 161 Cb 0.54 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3kr5 h ASN 161 CO -0.73 0.52 -0.24 0.23 -1.65 0.00 0.00 177.43 175.55 3kr5 n MET 162 N -3.93 1.23 -0.29 0.81 2.81 -0.76 -4.33 117.12 112.67 3kr5 n MET 162 Ca -0.01 -0.85 0.10 0.00 -1.81 0.00 0.00 57.70 55.12 3kr5 n MET 162 Cb 0.53 -1.48 0.26 0.00 -0.71 0.00 0.00 33.22 31.81 3kr5 n MET 162 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kr5 h GLU 163 N 2.08 0.43 0.00 0.03 5.08 -0.38 -2.30 114.58 119.52 3kr5 h GLU 163 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kr5 h GLU 163 Cb 0.62 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3kr5 h GLU 163 CO 0.00 0.28 0.00 0.36 -1.00 0.00 0.00 179.01 178.65 3kr5 n LYS 164 N -5.01 0.10 -3.77 2.33 2.85 -1.26 -4.59 118.16 108.81 3kr5 n LYS 164 Ca 0.19 0.30 -0.35 0.00 -1.05 0.00 0.00 58.31 57.40 3kr5 n LYS 164 Cb 0.55 -1.67 -0.08 0.00 -0.65 0.00 0.00 35.03 33.18 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kr5 s PHE 165 N -3.13 3.40 0.47 5.58 0.40 -0.87 -5.06 117.98 118.78 3kr5 s PHE 165 Ca 0.07 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 3kr5 s PHE 165 Cb 0.10 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.50 3kr5 s PHE 165 CO 0.36 0.30 0.70 0.54 0.70 0.00 0.00 175.22 177.82 3kr5 s ASN 166 N 0.29 5.74 0.00 1.36 2.20 -1.26 -2.05 114.94 121.22 3kr5 s ASN 166 Ca 0.08 0.27 0.26 0.00 -0.94 0.00 0.00 52.86 52.53 3kr5 s ASN 166 Cb -0.11 -1.45 0.72 0.00 -2.00 0.00 0.00 41.25 38.41 3kr5 s ASN 166 CO -0.02 -0.79 1.55 1.33 -2.94 0.00 0.00 177.10 176.24 3kr5 n VAL 167 N -2.15 0.00 -0.74 3.54 0.24 -0.08 -4.81 118.33 114.34 3kr5 n VAL 167 Ca 0.02 -0.22 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 3kr5 n VAL 167 Cb 0.58 0.64 -0.04 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.09 0.00 -1.65 7.34 4.81 -1.26 -0.16 118.16 127.15 3kr5 n LYS 168 Ca 0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 57.03 3kr5 n LYS 168 Cb 0.39 -0.63 -0.07 0.00 0.02 0.00 0.00 35.03 34.74 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 1.65 1.92 0.00 3.14 7.94 -1.26 -2.25 117.00 128.14 3kr5 n LEU 169 Ca 0.13 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3kr5 n LEU 169 Cb -0.02 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 42.79 3kr5 n LEU 169 CO 0.38 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 3kr5 n GLY 170 N 3.35 2.82 3.43 -3.96 0.00 -0.35 -4.90 105.19 105.58 3kr5 n GLY 170 Ca 0.23 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr5 n THR 171 N 0.00 0.00 -3.78 2.61 -2.24 -0.95 -4.47 114.28 105.44 3kr5 n THR 171 Ca 0.00 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3kr5 n THR 171 Cb 0.00 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 3kr5 n THR 171 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 172 N -2.11 -0.27 -0.02 3.42 1.04 -1.26 -0.06 113.70 114.44 3kr5 s SER 172 Ca 0.59 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 3kr5 s SER 172 Cb -0.20 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3kr5 s SER 172 CO 0.65 -1.15 0.32 -0.54 0.98 0.00 0.00 173.24 173.51 3kr5 s LYS 173 N -3.90 0.68 -0.10 4.02 3.01 -1.07 -5.00 119.74 117.38 3kr5 s LYS 173 Ca 0.11 -0.17 -0.04 0.00 -1.01 0.00 0.00 55.97 54.85 3kr5 s LYS 173 Cb -0.03 0.30 -0.04 0.00 -1.01 0.00 0.00 37.83 37.06 3kr5 s LYS 173 CO 0.01 -0.19 0.07 -1.01 0.51 0.00 0.00 175.35 174.74 3kr5 s HIS 174 N -1.32 3.38 -0.06 3.18 3.76 -1.26 -2.22 115.29 120.75 3kr5 s HIS 174 Ca -0.13 0.36 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3kr5 s HIS 174 Cb -0.05 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.78 3kr5 s HIS 174 CO 0.04 0.61 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.33 3kr5 s PHE 175 N -0.96 1.63 0.07 1.40 0.08 0.64 -4.94 117.98 115.90 3kr5 s PHE 175 Ca 0.14 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 56.71 3kr5 s PHE 175 Cb -0.12 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3kr5 s PHE 175 CO 0.03 -0.24 -0.18 -0.47 -0.10 0.00 0.00 175.22 174.26 3kr5 s TYR 176 N 0.38 2.55 0.02 0.36 5.04 -1.26 -0.17 117.35 124.26 3kr5 s TYR 176 Ca -0.11 -0.26 -0.23 0.00 -2.44 0.00 0.00 57.07 54.03 3kr5 s TYR 176 Cb -0.14 -1.42 0.08 0.00 0.35 0.00 0.00 41.96 40.82 3kr5 s TYR 176 CO 0.04 0.29 1.06 0.00 -1.34 0.00 0.00 175.55 175.60 3kr5 n MET 177 N 1.31 0.24 -4.57 4.97 0.00 -1.23 -5.02 117.12 112.83 3kr5 n MET 177 Ca -0.16 -0.80 -0.33 0.00 0.00 0.00 0.00 57.70 56.41 3kr5 n MET 177 Cb 0.52 1.24 -0.15 0.00 0.00 0.00 0.00 33.22 34.83 3kr5 n MET 177 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3kr5 s PHE 178 N -2.27 2.80 0.35 3.17 0.08 -1.26 -2.43 117.98 118.42 3kr5 s PHE 178 Ca 0.25 -0.90 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 3kr5 s PHE 178 Cb -0.01 -1.89 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 3kr5 s PHE 178 CO 0.01 -0.39 0.39 0.27 -0.10 0.00 0.00 175.22 175.40 3kr5 n ASN 179 N 3.93 -0.57 0.08 1.36 6.94 0.15 -4.55 115.26 122.60 3kr5 n ASN 179 Ca -0.19 -0.96 -0.05 0.00 -0.02 0.00 0.00 54.58 53.36 3kr5 n ASN 179 Cb 0.52 -0.33 0.14 0.00 -2.36 0.00 0.00 39.78 37.75 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kr5 h ASP 180 N -1.00 0.28 0.00 0.53 3.32 -1.94 0.68 116.42 118.29 3kr5 h ASP 180 Ca -0.14 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3kr5 h ASP 180 Cb 0.39 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kr5 h ASP 180 CO 0.09 0.79 0.35 -1.13 -1.72 0.00 0.00 179.24 177.62 3kr5 h ASN 181 N 0.19 0.00 0.00 6.45 -0.73 -1.98 -3.44 115.58 116.07 3kr5 h ASN 181 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3kr5 h ASN 181 Cb 1.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.65 3kr5 h ASN 181 CO 0.09 0.00 0.00 2.29 -0.37 0.00 0.00 177.43 179.44 3kr5 n LYS 182 N -2.25 -0.92 -1.46 6.67 2.85 0.23 -5.00 118.16 118.27 3kr5 n LYS 182 Ca -0.01 0.23 -0.31 0.00 -1.05 0.00 0.00 58.31 57.17 3kr5 n LYS 182 Cb 0.37 -4.07 0.07 0.00 -0.65 0.00 0.00 35.03 30.76 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kr5 s ASN 183 N -2.09 4.98 -0.25 -5.58 0.02 -1.26 -4.70 114.94 106.05 3kr5 s ASN 183 Ca 0.00 1.65 -0.12 0.00 -1.02 0.00 0.00 52.86 53.37 3kr5 s ASN 183 Cb 0.00 -2.46 -0.05 0.00 0.02 0.00 0.00 41.25 38.77 3kr5 s ASN 183 CO 0.00 -1.71 0.25 -0.94 0.02 0.00 0.00 177.10 174.72 3kr5 s SER 184 N -3.67 6.16 -0.02 -1.22 1.04 -1.26 -0.67 113.70 114.06 3kr5 s SER 184 Ca 0.59 0.17 0.06 0.00 0.48 0.00 0.00 55.95 57.25 3kr5 s SER 184 Cb -0.15 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 3kr5 s SER 184 CO 0.55 -0.05 -0.20 0.68 0.98 0.00 0.00 173.24 175.21 3kr5 s VAL 185 N 1.54 1.60 -0.08 5.02 -7.23 -1.02 -4.90 120.40 115.32 3kr5 s VAL 185 Ca 0.11 -0.85 -0.24 0.00 -1.81 0.00 0.00 61.98 59.18 3kr5 s VAL 185 Cb -0.15 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3kr5 s VAL 185 CO 0.08 0.45 0.74 0.00 -0.31 0.00 0.00 175.10 176.07 3kr5 s ALA 186 N -0.35 3.36 0.17 1.32 0.00 -1.11 -3.52 121.76 121.63 3kr5 s ALA 186 Ca 0.05 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.18 3kr5 s ALA 186 Cb -0.09 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 3kr5 s ALA 186 CO 0.00 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.53 3kr5 s VAL 187 N 1.10 1.17 -0.00 0.00 1.01 0.75 -0.94 120.40 123.50 3kr5 s VAL 187 Ca 0.39 -2.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.28 3kr5 s VAL 187 Cb -0.18 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3kr5 s VAL 187 CO 0.18 -0.64 0.10 0.61 0.00 0.00 0.00 175.10 175.34 3kr5 n GLY 188 N -0.26 0.62 3.22 4.51 0.00 0.21 0.23 105.19 113.73 3kr5 n GLY 188 Ca -0.09 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.07 0.11 0.08 1.61 1.13 -0.94 -0.33 117.35 115.93 3kr5 s TYR 189 Ca 0.02 -0.53 0.08 0.00 -1.41 0.00 0.00 57.07 55.23 3kr5 s TYR 189 Cb -0.00 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 3kr5 s TYR 189 CO -0.00 -0.57 -0.19 0.08 -2.51 0.00 0.00 175.55 172.36 3kr5 s VAL 190 N -3.86 2.78 -0.08 -3.49 1.01 0.38 -2.59 120.40 114.56 3kr5 s VAL 190 Ca 0.05 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.49 3kr5 s VAL 190 Cb 0.04 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 3kr5 s VAL 190 CO -0.11 0.22 0.53 -0.83 0.00 0.00 0.00 175.10 174.91 3kr5 s GLY 191 N -1.78 2.48 -0.18 4.51 0.00 0.91 -2.38 107.32 110.88 3kr5 s GLY 191 Ca 0.16 -0.10 0.15 0.00 0.00 0.00 0.00 44.72 44.93 3kr5 s GLY 191 CO 0.07 0.77 1.26 0.00 0.00 0.00 0.00 173.10 175.20 3kr5 n GLY 193 N -1.14 3.83 0.92 0.00 0.00 0.77 -4.69 105.19 104.88 3kr5 n GLY 193 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 6.28 0.08 -4.43 1.61 7.64 -1.26 -2.21 113.62 121.33 3kr5 n SER 194 Ca 0.00 0.01 -0.57 0.00 1.01 0.00 0.00 58.87 59.32 3kr5 n SER 194 Cb 0.00 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 3kr5 n SER 194 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3kr5 n VAL 195 N -2.57 0.12 -0.34 0.44 0.31 -1.26 -2.61 118.33 112.41 3kr5 n VAL 195 Ca -0.00 -0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 3kr5 n VAL 195 Cb 0.00 -1.03 0.21 0.00 -0.91 0.00 0.00 33.84 32.12 3kr5 n VAL 195 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kr5 h ALA 196 N 9.64 1.47 -2.02 3.52 0.00 -1.94 -3.31 119.26 126.63 3kr5 h ALA 196 Ca -0.25 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.00 3kr5 h ALA 196 Cb 1.36 -0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 3kr5 h ALA 196 CO 1.04 0.37 0.29 0.16 0.00 0.00 0.00 179.25 181.11 3kr5 s ASP 197 N -5.92 6.32 0.45 0.00 3.84 -1.26 -4.69 116.67 115.40 3kr5 s ASP 197 Ca -0.12 -0.45 -0.20 0.00 -0.00 0.00 0.00 52.55 51.78 3kr5 s ASP 197 Cb 0.20 -2.36 -0.10 0.00 -1.38 0.00 0.00 42.92 39.28 3kr5 s ASP 197 CO 0.81 -0.98 0.96 -0.76 -0.00 0.00 0.00 175.17 175.20 3kr5 s LEU 198 N 3.22 3.87 0.20 2.11 2.01 -1.25 -5.06 118.68 123.78 3kr5 s LEU 198 Ca 0.25 1.67 0.04 0.00 0.01 0.00 0.00 54.13 56.10 3kr5 s LEU 198 Cb -0.15 -4.53 -0.03 0.00 0.01 0.00 0.00 46.19 41.49 3kr5 s LEU 198 CO 0.18 -0.41 0.28 -0.94 1.01 0.00 0.00 176.35 176.47 3kr5 s SER 199 N -2.36 6.09 0.41 2.29 1.04 -1.26 -4.86 113.70 115.05 3kr5 s SER 199 Ca 0.61 0.03 0.26 0.00 0.48 0.00 0.00 55.95 57.33 3kr5 s SER 199 Cb -0.09 -1.75 1.37 0.00 0.10 0.00 0.00 66.02 65.64 3kr5 s SER 199 CO 0.17 -0.01 1.61 -0.08 0.98 0.00 0.00 173.24 175.91 3kr5 h GLU 200 N 1.71 0.08 0.00 4.02 4.22 -1.97 0.60 114.58 123.25 3kr5 h GLU 200 Ca -0.50 -0.01 -0.21 0.00 0.08 0.00 0.00 59.36 58.72 3kr5 h GLU 200 Cb 1.22 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3kr5 h GLU 200 CO 0.64 0.06 -1.34 0.00 -2.18 0.00 0.00 179.01 176.18 3kr5 h ALA 201 N 1.74 0.65 -0.16 2.92 0.00 -1.94 -2.81 119.26 119.67 3kr5 h ALA 201 Ca 0.83 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3kr5 h ALA 201 Cb 2.39 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 3kr5 h ALA 201 CO -0.55 1.20 -0.58 -0.44 0.00 0.00 0.00 179.25 178.88 3kr5 h ASP 202 N 0.00 0.57 0.08 0.00 3.45 -0.80 -2.71 116.42 117.02 3kr5 h ASP 202 Ca -0.16 -0.32 -0.13 0.00 0.43 0.00 0.00 57.03 56.85 3kr5 h ASP 202 Cb 1.76 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 40.35 3kr5 h ASP 202 CO 0.08 1.03 -0.44 -0.03 -1.57 0.00 0.00 179.24 178.30 3kr5 h MET 203 N 0.39 0.44 -0.22 3.56 4.05 -0.07 -1.39 114.93 121.69 3kr5 h MET 203 Ca 0.00 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.18 3kr5 h MET 203 Cb 1.13 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 3kr5 h MET 203 CO 0.11 0.80 0.12 -0.22 0.23 0.00 0.00 176.91 177.94 3kr5 h LYS 204 N 0.36 0.30 -0.36 0.39 1.63 -1.50 -0.36 116.57 117.02 3kr5 h LYS 204 Ca 0.03 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 3kr5 h LYS 204 Cb 0.92 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.43 3kr5 h LYS 204 CO 0.08 0.29 0.01 0.00 -3.45 0.00 0.00 179.45 176.37 3kr5 h ARG 205 N 0.24 0.10 0.00 1.90 3.08 -0.95 0.20 114.38 118.94 3kr5 h ARG 205 Ca 0.08 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3kr5 h ARG 205 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3kr5 h ARG 205 CO -0.01 0.07 -0.19 0.28 -1.07 0.00 0.00 179.97 179.04 3kr5 h VAL 206 N 0.11 0.54 -0.31 2.04 2.07 -1.12 -1.56 116.25 118.01 3kr5 h VAL 206 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3kr5 h VAL 206 Cb 0.24 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3kr5 h VAL 206 CO -0.29 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 177.82 3kr5 h VAL 207 N -0.31 0.70 -0.79 2.57 2.07 0.45 -0.96 116.25 119.98 3kr5 h VAL 207 Ca 0.06 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.67 3kr5 h VAL 207 Cb 0.39 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3kr5 h VAL 207 CO -0.18 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.78 3kr5 h LEU 208 N 0.02 0.60 -0.44 2.57 -0.00 -0.25 0.21 115.31 118.01 3kr5 h LEU 208 Ca 0.15 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.15 3kr5 h LEU 208 Cb 0.23 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 3kr5 h LEU 208 CO -0.31 0.34 0.13 0.28 -0.00 0.00 0.00 178.44 178.88 3kr5 h SER 209 N 0.72 0.11 -0.76 -0.43 0.02 -0.22 -1.37 113.55 111.62 3kr5 h SER 209 Ca 0.39 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.41 3kr5 h SER 209 Cb 0.39 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3kr5 h SER 209 CO -0.26 0.09 0.50 0.25 -1.14 0.00 0.00 176.83 176.27 3kr5 h LEU 210 N 0.29 0.85 -1.33 5.07 6.46 0.42 -1.99 115.31 125.07 3kr5 h LEU 210 Ca 0.21 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3kr5 h LEU 210 Cb 0.23 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3kr5 h LEU 210 CO -0.24 0.61 -0.33 0.58 -0.62 0.00 0.00 178.44 178.44 3kr5 h VAL 211 N 1.00 1.22 -0.76 1.05 2.07 -0.10 -1.13 116.25 119.61 3kr5 h VAL 211 Ca 0.29 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3kr5 h VAL 211 Cb -0.08 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3kr5 h VAL 211 CO -0.07 0.33 0.43 0.74 0.02 0.00 0.00 177.57 179.01 3kr5 h THR 212 N 0.00 1.22 0.00 2.57 2.02 -0.50 0.55 112.91 118.77 3kr5 h THR 212 Ca -0.00 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3kr5 h THR 212 Cb 0.60 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3kr5 h THR 212 CO 0.04 0.24 -0.31 0.24 0.37 0.00 0.00 175.52 176.10 3kr5 h MET 213 N 1.06 0.00 -0.05 6.66 2.86 -1.13 -3.06 114.93 121.27 3kr5 h MET 213 Ca 0.27 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.71 3kr5 h MET 213 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kr5 h MET 213 CO -0.05 0.31 -0.80 -0.07 1.06 0.00 0.00 176.91 177.37 3kr5 h LEU 214 N 0.00 0.49 -9.66 1.22 3.38 -0.27 -3.40 115.31 107.06 3kr5 h LEU 214 Ca -0.00 -0.34 -0.52 0.00 0.09 0.00 0.00 57.88 57.10 3kr5 h LEU 214 Cb 1.12 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3kr5 h LEU 214 CO 0.04 1.10 0.54 -1.00 0.09 0.00 0.00 178.44 179.21 3kr5 s HIS 215 N -3.49 3.47 -0.92 1.13 3.76 0.18 -3.73 115.29 115.69 3kr5 s HIS 215 Ca -0.06 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.32 3kr5 s HIS 215 Cb 0.10 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.40 3kr5 s HIS 215 CO 0.85 -1.06 0.00 -0.25 -0.85 0.00 0.00 174.74 173.43 3kr5 n ASP 216 N 2.50 -3.73 -3.65 1.40 10.43 -1.26 -4.86 116.55 117.39 3kr5 n ASP 216 Ca 0.04 0.12 -0.21 0.00 2.57 0.00 0.00 54.79 57.31 3kr5 n ASP 216 Cb 0.45 -2.52 -0.17 0.00 1.84 0.00 0.00 41.12 40.72 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kr5 s ASN 217 N -2.74 1.35 -0.74 -2.24 3.84 -1.24 -5.10 114.94 108.07 3kr5 s ASN 217 Ca 0.00 -0.04 -0.27 0.00 0.21 0.00 0.00 52.86 52.76 3kr5 s ASN 217 Cb 0.00 -0.07 0.03 0.00 -0.55 0.00 0.00 41.25 40.65 3kr5 s ASN 217 CO 0.00 -0.27 1.35 -0.54 -2.79 0.00 0.00 177.10 174.84 3kr5 s LYS 218 N 2.19 3.15 -0.07 0.43 1.02 -1.26 -4.91 119.74 120.29 3kr5 s LYS 218 Ca 0.04 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 55.89 3kr5 s LYS 218 Cb -0.13 -4.26 -0.01 0.00 -0.52 0.00 0.00 37.83 32.92 3kr5 s LYS 218 CO -0.05 -2.22 -0.23 -0.51 -0.92 0.00 0.00 175.35 171.42 3kr5 s LEU 219 N 6.07 2.04 -0.01 3.17 1.43 -1.26 -5.03 118.68 125.08 3kr5 s LEU 219 Ca 0.39 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 3kr5 s LEU 219 Cb -0.08 -1.30 -0.34 0.00 0.03 0.00 0.00 46.19 44.50 3kr5 s LEU 219 CO 0.14 0.20 0.94 0.77 0.23 0.00 0.00 176.35 178.64 3kr5 h SER 220 N 6.28 0.66 -3.44 2.29 4.64 -1.93 -3.29 113.55 118.76 3kr5 h SER 220 Ca -0.29 -0.94 -0.43 0.00 -0.47 0.00 0.00 61.79 59.67 3kr5 h SER 220 Cb 1.19 -0.22 -0.34 0.00 -0.31 0.00 0.00 62.40 62.73 3kr5 h SER 220 CO 0.47 1.56 -0.78 -0.75 -0.87 0.00 0.00 176.83 176.46 3kr5 s LYS 221 N -2.51 0.95 -0.09 4.77 2.20 -1.26 -0.14 119.74 123.65 3kr5 s LYS 221 Ca -0.11 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.34 3kr5 s LYS 221 Cb 0.02 -0.93 -0.03 0.00 -1.51 0.00 0.00 37.83 35.38 3kr5 s LYS 221 CO 0.89 -0.08 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.62 3kr5 s LEU 222 N 0.93 3.51 -0.14 5.43 2.96 0.13 -1.03 118.68 130.48 3kr5 s LEU 222 Ca -0.11 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3kr5 s LEU 222 Cb -0.14 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.78 3kr5 s LEU 222 CO 0.00 0.35 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.45 3kr5 s THR 223 N -0.71 0.91 -0.25 3.68 2.01 0.72 -0.41 115.64 121.59 3kr5 s THR 223 Ca 0.11 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 3kr5 s THR 223 Cb -0.12 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3kr5 s THR 223 CO 0.02 0.16 0.03 -0.69 -0.69 0.00 0.00 174.62 173.45 3kr5 s VAL 224 N 1.73 3.89 -0.19 3.82 1.01 0.81 0.78 120.40 132.24 3kr5 s VAL 224 Ca 0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3kr5 s VAL 224 Cb -0.14 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3kr5 s VAL 224 CO -0.07 0.30 0.24 -0.69 0.00 0.00 0.00 175.10 174.87 3kr5 s VAL 225 N 1.54 5.33 -0.96 2.92 1.01 -0.38 -1.35 120.40 128.50 3kr5 s VAL 225 Ca 0.05 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3kr5 s VAL 225 Cb -0.15 -3.58 0.23 0.00 0.00 0.00 0.00 36.38 32.88 3kr5 s VAL 225 CO 0.01 0.37 0.95 -0.36 0.00 0.00 0.00 175.10 176.08 3kr5 s PHE 226 N 0.68 3.90 -0.42 5.22 0.40 -0.48 0.47 117.98 127.75 3kr5 s PHE 226 Ca 0.13 -2.22 0.07 0.00 -0.60 0.00 0.00 56.93 54.31 3kr5 s PHE 226 Cb -0.13 -3.88 0.52 0.00 0.51 0.00 0.00 43.02 40.04 3kr5 s PHE 226 CO 0.03 -1.03 1.46 0.39 0.70 0.00 0.00 175.22 176.77 3kr5 n GLU 227 N 3.77 2.99 -4.30 0.44 1.02 -0.36 -4.70 120.64 119.49 3kr5 n GLU 227 Ca 0.19 -2.12 -0.24 0.00 -0.02 0.00 0.00 57.16 54.97 3kr5 n GLU 227 Cb 0.44 -1.94 -0.12 0.00 -0.02 0.00 0.00 31.44 29.79 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 -2.22 1.78 0.18 -3.67 -4.36 -1.03 -4.08 121.20 107.80 3kr5 s ILE 228 Ca 0.38 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 59.12 3kr5 s ILE 228 Cb 0.30 -1.63 -0.06 0.00 1.25 0.00 0.00 42.46 42.32 3kr5 s ILE 228 CO 0.10 -0.07 0.43 0.54 0.24 0.00 0.00 174.94 176.18 3kr5 s ASN 229 N -1.99 6.50 -0.15 4.36 4.22 -1.26 -5.01 114.94 121.61 3kr5 s ASN 229 Ca 0.08 0.65 -0.13 0.00 -2.14 0.00 0.00 52.86 51.32 3kr5 s ASN 229 Cb -0.10 -2.11 0.04 0.00 1.28 0.00 0.00 41.25 40.36 3kr5 s ASN 229 CO 0.05 -0.00 0.40 0.68 -2.04 0.00 0.00 177.10 176.18 3kr5 s VAL 230 N -1.75 -0.00 1.17 3.54 -7.23 -1.26 -4.79 120.40 110.07 3kr5 s VAL 230 Ca 0.42 0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.41 3kr5 s VAL 230 Cb -0.12 -0.56 0.29 0.00 0.56 0.00 0.00 36.38 36.55 3kr5 s VAL 230 CO 0.25 0.00 0.97 -0.90 -0.31 0.00 0.00 175.10 175.11 3kr5 n ASP 231 N 3.02 -2.34 -0.11 4.85 3.85 -1.26 -4.75 116.55 119.80 3kr5 n ASP 231 Ca -0.14 -1.06 -0.09 0.00 -0.71 0.00 0.00 54.79 52.78 3kr5 n ASP 231 Cb 0.57 -0.92 -0.01 0.00 -1.35 0.00 0.00 41.12 39.41 3kr5 n ASP 231 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3kr5 h LYS 232 N 0.00 0.50 0.06 0.11 1.57 -2.00 -2.62 116.57 114.19 3kr5 h LYS 232 Ca -0.38 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3kr5 h LYS 232 Cb 1.17 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3kr5 h LYS 232 CO 0.24 0.44 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.62 3kr5 h ASN 233 N 0.44 -0.08 -0.31 0.86 2.35 -1.91 -2.68 115.58 114.25 3kr5 h ASN 233 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3kr5 h ASN 233 Cb 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kr5 h ASN 233 CO -0.02 -0.05 0.13 0.25 -1.65 0.00 0.00 177.43 176.09 3kr5 h LEU 234 N -0.09 0.47 0.20 1.61 5.85 -1.91 0.29 115.31 121.73 3kr5 h LEU 234 Ca -0.01 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kr5 h LEU 234 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3kr5 h LEU 234 CO 0.01 0.45 -0.25 0.15 -0.34 0.00 0.00 178.44 178.46 3kr5 h PHE 235 N 0.52 -0.65 -0.14 1.25 3.57 -1.25 0.56 116.94 120.79 3kr5 h PHE 235 Ca 0.13 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 3kr5 h PHE 235 Cb 0.14 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3kr5 h PHE 235 CO 0.01 -0.36 -0.17 -0.09 -2.23 0.00 0.00 178.31 175.47 3kr5 h ARG 236 N -0.50 -0.21 -0.69 1.11 2.43 -1.02 0.32 114.38 115.83 3kr5 h ARG 236 Ca 0.01 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3kr5 h ARG 236 Cb 0.48 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 3kr5 h ARG 236 CO -0.09 -0.14 0.33 0.35 -1.51 0.00 0.00 179.97 178.92 3kr5 h PHE 237 N -0.21 0.59 -0.71 2.20 3.57 -0.37 0.22 116.94 122.24 3kr5 h PHE 237 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3kr5 h PHE 237 Cb 0.36 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 3kr5 h PHE 237 CO -0.29 0.21 0.37 0.35 -2.23 0.00 0.00 178.31 176.72 3kr5 h PHE 238 N 0.57 0.67 -0.29 0.41 3.57 0.83 0.12 116.94 122.82 3kr5 h PHE 238 Ca 0.34 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 3kr5 h PHE 238 Cb 0.37 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3kr5 h PHE 238 CO -0.12 0.28 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.04 3kr5 h LEU 239 N 0.65 0.61 -0.07 0.59 3.38 0.98 0.14 115.31 121.59 3kr5 h LEU 239 Ca 0.34 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kr5 h LEU 239 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kr5 h LEU 239 CO -0.23 0.88 0.03 -0.33 0.09 0.00 0.00 178.44 178.87 3kr5 h GLU 240 N 0.35 0.11 -0.78 1.13 5.08 -0.48 0.30 114.58 120.28 3kr5 h GLU 240 Ca 0.07 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 3kr5 h GLU 240 Cb 0.65 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 3kr5 h GLU 240 CO 0.04 0.24 0.37 1.15 -1.00 0.00 0.00 179.01 179.81 3kr5 h THR 241 N -0.05 0.73 -0.16 1.13 2.02 -0.97 0.64 112.91 116.26 3kr5 h THR 241 Ca 0.02 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3kr5 h THR 241 Cb 0.17 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3kr5 h THR 241 CO -0.00 0.10 0.09 0.25 0.37 0.00 0.00 175.52 176.33 3kr5 h LEU 242 N 0.55 0.19 -0.04 2.58 5.85 0.19 -1.71 115.31 122.93 3kr5 h LEU 242 Ca 0.42 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 3kr5 h LEU 242 Cb 0.57 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kr5 h LEU 242 CO -0.35 0.19 0.01 -0.26 -0.34 0.00 0.00 178.44 177.69 3kr5 h PHE 243 N 0.17 0.06 -0.45 1.25 0.04 0.67 -2.09 116.94 116.59 3kr5 h PHE 243 Ca 0.06 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3kr5 h PHE 243 Cb 0.04 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3kr5 h PHE 243 CO -0.05 0.27 0.18 -0.92 -0.60 0.00 0.00 178.31 177.19 3kr5 h TYR 244 N -0.17 0.69 0.00 -0.55 3.20 0.26 -2.28 116.97 118.12 3kr5 h TYR 244 Ca 0.01 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3kr5 h TYR 244 Cb 0.24 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3kr5 h TYR 244 CO 0.00 0.59 0.00 0.39 -1.64 0.00 0.00 178.16 177.50 3kr5 n GLU 245 N -4.60 0.19 0.02 1.82 -0.58 -0.65 -3.46 120.64 113.39 3kr5 n GLU 245 Ca 0.01 0.18 -0.16 0.00 -0.42 0.00 0.00 57.16 56.76 3kr5 n GLU 245 Cb 0.15 -1.73 -0.14 0.00 -0.57 0.00 0.00 31.44 29.15 3kr5 n GLU 245 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3kr5 h TYR 246 N 0.00 0.35 -2.68 -0.32 3.20 -1.11 -3.45 116.97 112.96 3kr5 h TYR 246 Ca 0.00 -0.26 -0.55 0.00 3.14 0.00 0.00 58.73 61.06 3kr5 h TYR 246 Cb 0.64 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3kr5 h TYR 246 CO 0.00 1.42 1.04 1.41 -1.64 0.00 0.00 178.16 180.38 3kr5 s MET 247 N -2.59 4.20 -0.04 1.82 1.75 -0.88 -5.02 119.30 118.53 3kr5 s MET 247 Ca -0.12 2.09 -0.13 0.00 -1.25 0.00 0.00 55.69 56.28 3kr5 s MET 247 Cb 0.07 -3.91 -0.05 0.00 2.84 0.00 0.00 34.83 33.78 3kr5 s MET 247 CO 0.82 -0.80 0.35 0.99 -0.65 0.00 0.00 175.02 175.73 3kr5 s THR 248 N 3.79 5.15 -0.42 10.11 2.01 -1.26 -4.99 115.64 130.03 3kr5 s THR 248 Ca 0.70 0.69 -0.18 0.00 0.31 0.00 0.00 61.69 63.21 3kr5 s THR 248 Cb -0.31 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3kr5 s THR 248 CO 0.27 0.57 0.48 -0.62 -0.69 0.00 0.00 174.62 174.62 3kr5 s ASP 249 N -0.92 6.22 0.00 3.53 -1.08 -1.26 -4.91 116.67 118.26 3kr5 s ASP 249 Ca 0.22 -0.60 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 3kr5 s ASP 249 Cb -0.15 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 39.11 3kr5 s ASP 249 CO 0.11 -0.61 0.78 -0.62 0.52 0.00 0.00 175.17 175.34 3kr5 n GLU 250 N 5.73 0.78 0.00 4.34 1.02 -1.26 -4.64 120.64 126.61 3kr5 n GLU 250 Ca -0.06 -1.05 0.20 0.00 -0.02 0.00 0.00 57.16 56.23 3kr5 n GLU 250 Cb 0.47 -1.06 0.44 0.00 -0.02 0.00 0.00 31.44 31.28 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kr5 h ARG 251 N 0.58 0.00 0.00 3.49 3.08 -1.95 -1.08 114.38 118.49 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3kr5 h ARG 251 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3kr5 n PHE 252 N -3.15 0.00 -2.07 3.04 3.01 -1.26 -4.97 117.46 112.05 3kr5 n PHE 252 Ca 0.13 -0.28 -0.28 0.00 1.01 0.00 0.00 57.45 58.03 3kr5 n PHE 252 Cb 1.15 -0.03 0.15 0.00 -0.01 0.00 0.00 39.48 40.73 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 -0.57 1.18 0.20 -1.08 -0.14 -0.41 -5.01 119.74 113.92 3kr5 s LYS 253 Ca 0.00 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.17 3kr5 s LYS 253 Cb 0.00 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 3kr5 s LYS 253 CO 0.00 -2.00 0.00 -1.13 -0.76 0.00 0.00 175.35 171.46 3kr5 n SER 254 N -3.45 -1.84 0.10 2.83 3.41 -1.26 -4.93 113.62 108.48 3kr5 n SER 254 Ca 0.13 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3kr5 n SER 254 Cb 0.60 1.96 0.19 0.00 -0.26 0.00 0.00 64.21 66.70 3kr5 n SER 254 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3kr5 h THR 255 N 0.00 0.00 -3.25 6.66 1.35 -2.01 -3.47 112.91 112.19 3kr5 h THR 255 Ca 0.00 -0.63 -0.58 0.00 -0.55 0.00 0.00 66.41 64.65 3kr5 h THR 255 Cb 0.00 1.33 -0.06 0.00 -1.73 0.00 0.00 68.15 67.69 3kr5 h THR 255 CO 0.00 0.00 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.56 3kr5 s ASP 256 N -4.70 6.86 0.01 5.36 2.15 -1.26 -5.09 116.67 120.00 3kr5 s ASP 256 Ca 0.06 1.03 0.02 0.00 0.43 0.00 0.00 52.55 54.09 3kr5 s ASP 256 Cb 0.12 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.41 3kr5 s ASP 256 CO 0.70 0.13 -0.07 -1.59 -0.17 0.00 0.00 175.17 174.17 3kr5 s LYS 257 N -0.20 0.55 0.00 4.34 -2.85 -1.26 -4.86 119.74 115.47 3kr5 s LYS 257 Ca 0.28 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 3kr5 s LYS 257 Cb -0.17 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.12 3kr5 s LYS 257 CO 0.14 0.12 0.00 -1.71 0.10 0.00 0.00 175.35 174.01 3kr5 n ASN 258 N 2.45 0.00 0.00 0.03 5.15 -1.26 -4.76 115.26 116.87 3kr5 n ASN 258 Ca -0.16 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 53.90 3kr5 n ASN 258 Cb 0.57 -0.53 0.45 0.00 -0.53 0.00 0.00 39.78 39.74 3kr5 n ASN 258 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3kr5 n VAL 259 N -1.78 0.17 -0.00 3.44 0.24 -1.26 -2.95 118.33 116.19 3kr5 n VAL 259 Ca 0.00 0.04 -0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3kr5 n VAL 259 Cb 0.00 -0.79 -0.00 0.00 -1.47 0.00 0.00 33.84 31.57 3kr5 n VAL 259 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kr5 n ASN 260 N -1.08 4.52 -4.60 -1.34 3.02 -1.26 -5.04 115.26 109.47 3kr5 n ASN 260 Ca 0.11 -0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 3kr5 n ASN 260 Cb 0.07 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3kr5 n ASN 260 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3kr5 s MET 261 N -2.01 3.12 -0.10 3.52 1.75 -1.15 -4.96 119.30 119.47 3kr5 s MET 261 Ca -0.00 1.85 -0.04 0.00 -1.25 0.00 0.00 55.69 56.25 3kr5 s MET 261 Cb 0.00 -4.34 0.05 0.00 2.84 0.00 0.00 34.83 33.38 3kr5 s MET 261 CO 0.02 -2.11 0.19 -1.83 -0.65 0.00 0.00 175.02 170.64 3kr5 s GLU 262 N 6.28 0.07 0.57 4.11 -1.05 -1.26 -4.99 118.70 122.43 3kr5 s GLU 262 Ca 0.95 0.62 -0.17 0.00 -0.15 0.00 0.00 54.97 56.22 3kr5 s GLU 262 Cb -0.30 -0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.15 3kr5 s GLU 262 CO 0.34 -0.30 1.07 0.71 0.95 0.00 0.00 175.26 178.03 3kr5 s TYR 263 N 2.32 2.92 0.78 4.83 2.02 -1.26 -4.61 117.35 124.34 3kr5 s TYR 263 Ca 0.02 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.11 3kr5 s TYR 263 Cb -0.12 -3.07 0.04 0.00 -0.40 0.00 0.00 41.96 38.41 3kr5 s TYR 263 CO -0.07 -1.15 1.02 0.44 -1.57 0.00 0.00 175.55 174.22 3kr5 n ILE 264 N -1.72 2.22 0.27 2.71 -5.35 -1.24 -4.88 119.36 111.37 3kr5 n ILE 264 Ca 0.09 -0.28 0.08 0.00 -0.27 0.00 0.00 62.75 62.37 3kr5 n ILE 264 Cb 0.52 -1.10 -0.12 0.00 -1.74 0.00 0.00 39.64 37.21 3kr5 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr5 n LYS 265 N -2.45 0.87 -4.01 6.28 5.02 0.81 -4.68 118.16 120.01 3kr5 n LYS 265 Ca 0.13 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 3kr5 n LYS 265 Cb 0.50 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kr5 s HIS 266 N -2.97 0.46 -0.19 2.13 3.76 -0.92 -0.59 115.29 116.97 3kr5 s HIS 266 Ca -0.02 -0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 54.82 3kr5 s HIS 266 Cb 0.11 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.32 3kr5 s HIS 266 CO 0.70 -0.15 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.11 3kr5 s LEU 267 N 0.99 2.36 -0.11 0.89 2.96 0.90 0.22 118.68 126.89 3kr5 s LEU 267 Ca -0.10 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 3kr5 s LEU 267 Cb -0.14 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3kr5 s LEU 267 CO -0.01 0.00 0.06 -0.83 -1.32 0.00 0.00 176.35 174.25 3kr5 s GLY 268 N 1.31 1.97 0.01 7.98 0.00 0.45 -1.75 107.32 117.29 3kr5 s GLY 268 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.10 3kr5 s GLY 268 CO -0.09 -0.41 -0.22 0.14 0.00 0.00 0.00 173.10 172.52 3kr5 s VAL 269 N -0.74 1.75 -0.22 1.40 1.01 -0.40 -0.13 120.40 123.07 3kr5 s VAL 269 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3kr5 s VAL 269 Cb -0.12 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.83 3kr5 s VAL 269 CO 0.03 0.38 -0.08 -0.31 0.00 0.00 0.00 175.10 175.11 3kr5 s TYR 270 N -0.64 2.46 0.04 5.22 1.51 -0.46 -0.52 117.35 124.97 3kr5 s TYR 270 Ca 0.08 -1.70 -0.02 0.00 -1.01 0.00 0.00 57.07 54.43 3kr5 s TYR 270 Cb -0.09 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 3kr5 s TYR 270 CO 0.00 -0.76 0.01 -1.50 -1.11 0.00 0.00 175.55 172.19 3kr5 s ILE 271 N 1.38 0.17 0.76 2.71 2.07 -0.74 -1.39 121.20 126.16 3kr5 s ILE 271 Ca -0.03 -1.41 -0.16 0.00 -1.41 0.00 0.00 60.65 57.63 3kr5 s ILE 271 Cb -0.17 -1.08 -0.02 0.00 0.13 0.00 0.00 42.46 41.32 3kr5 s ILE 271 CO -0.07 -0.78 0.62 0.59 -1.91 0.00 0.00 174.94 173.38 3kr5 n ASN 272 N 0.60 -0.93 -3.01 4.50 3.02 -1.26 -2.72 115.26 115.45 3kr5 n ASN 272 Ca -0.17 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 3kr5 n ASN 272 Cb 0.59 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3kr5 n ASN 272 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kr5 n ASN 273 N -0.79 0.00 0.29 6.41 6.94 -1.26 -4.65 115.26 122.20 3kr5 n ASN 273 Ca 0.10 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.80 3kr5 n ASN 273 Cb 0.50 0.00 0.86 0.00 -2.36 0.00 0.00 39.78 38.78 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kr5 h ALA 274 N 2.53 1.63 0.00 -2.53 0.00 -1.86 -2.02 119.26 117.02 3kr5 h ALA 274 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 274 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 274 CO 0.00 -0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3kr5 n ASP 275 N -4.00 0.61 -0.09 0.00 8.00 -1.26 -0.62 116.55 119.18 3kr5 n ASP 275 Ca -0.03 0.69 -0.14 0.00 0.71 0.00 0.00 54.79 56.01 3kr5 n ASP 275 Cb 0.08 -0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 40.32 3kr5 n ASP 275 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kr5 n THR 276 N -2.21 1.48 0.03 -3.53 -2.24 -0.76 -4.44 114.28 102.61 3kr5 n THR 276 Ca 0.01 0.05 0.21 0.00 -2.27 0.00 0.00 64.05 62.06 3kr5 n THR 276 Cb 0.17 -2.20 0.63 0.00 -2.10 0.00 0.00 70.33 66.83 3kr5 n THR 276 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kr5 h TYR 277 N -1.00 0.00 -0.89 4.78 0.05 -1.33 -2.55 116.97 116.03 3kr5 h TYR 277 Ca -0.21 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.65 3kr5 h TYR 277 Cb 0.99 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.66 3kr5 h TYR 277 CO -0.10 0.00 0.58 0.87 -1.05 0.00 0.00 178.16 178.45 3kr5 h LYS 278 N 0.00 0.90 0.00 4.88 1.57 -1.08 -0.33 116.57 122.50 3kr5 h LYS 278 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3kr5 h LYS 278 Cb 1.65 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 3kr5 h LYS 278 CO -0.00 0.60 -0.06 0.93 -0.57 0.00 0.00 179.45 180.34 3kr5 h GLU 279 N 0.93 0.00 0.00 3.15 4.39 -1.75 -2.57 114.58 118.73 3kr5 h GLU 279 Ca 0.40 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 3kr5 h GLU 279 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3kr5 h GLU 279 CO -0.16 0.06 -0.17 0.93 -1.16 0.00 0.00 179.01 178.50 3kr5 h GLU 280 N 0.00 0.00 0.66 2.33 4.39 -1.25 -3.31 114.58 117.39 3kr5 h GLU 280 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3kr5 h GLU 280 Cb 0.23 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3kr5 h GLU 280 CO 0.01 0.17 -0.31 0.28 -1.16 0.00 0.00 179.01 178.00 3kr5 h VAL 281 N 0.00 0.33 0.00 3.13 2.07 -1.54 0.24 116.25 120.49 3kr5 h VAL 281 Ca -0.00 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3kr5 h VAL 281 Cb 0.80 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kr5 h VAL 281 CO 0.02 0.01 -0.41 -0.33 0.02 0.00 0.00 177.57 176.89 3kr5 h GLU 282 N -0.94 0.00 -0.47 1.57 4.39 -1.76 -1.57 114.58 115.79 3kr5 h GLU 282 Ca -0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 3kr5 h GLU 282 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3kr5 h GLU 282 CO 0.15 0.41 0.15 -0.22 -1.16 0.00 0.00 179.01 178.34 3kr5 h LYS 283 N 0.00 0.73 -0.84 2.33 3.64 -1.60 -1.48 116.57 119.35 3kr5 h LYS 283 Ca -0.00 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3kr5 h LYS 283 Cb 0.93 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 3kr5 h LYS 283 CO 0.05 0.69 0.55 0.00 -2.27 0.00 0.00 179.45 178.47 3kr5 h ALA 284 N 1.01 1.06 -0.54 5.00 0.00 -0.12 0.12 119.26 125.78 3kr5 h ALA 284 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kr5 h ALA 284 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 284 CO -0.01 0.47 0.00 -0.09 0.00 0.00 0.00 179.25 179.62 3kr5 h ARG 285 N 1.13 0.96 -0.07 0.00 2.43 -1.12 0.66 114.38 118.37 3kr5 h ARG 285 Ca 0.31 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kr5 h ARG 285 Cb -0.13 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3kr5 h ARG 285 CO -0.07 0.97 0.02 0.28 -1.51 0.00 0.00 179.97 179.66 3kr5 h VAL 286 N 0.84 1.17 -0.50 0.20 2.07 -0.74 -1.67 116.25 117.63 3kr5 h VAL 286 Ca 0.15 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3kr5 h VAL 286 Cb 0.53 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 3kr5 h VAL 286 CO 0.03 0.15 0.17 1.88 0.02 0.00 0.00 177.57 179.82 3kr5 h TYR 287 N -0.08 0.30 -0.27 1.57 -1.99 -0.62 0.15 116.97 116.03 3kr5 h TYR 287 Ca 0.02 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.84 3kr5 h TYR 287 Cb 0.21 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 38.82 3kr5 h TYR 287 CO -0.00 0.09 -0.13 -0.92 -0.00 0.00 0.00 178.16 177.19 3kr5 h TYR 288 N 0.35 -0.32 -0.29 4.88 3.20 0.50 -1.46 116.97 123.82 3kr5 h TYR 288 Ca 0.24 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.99 3kr5 h TYR 288 Cb 0.26 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kr5 h TYR 288 CO -0.17 -0.20 -0.43 0.35 -1.64 0.00 0.00 178.16 176.07 3kr5 h PHE 289 N -0.10 0.88 -0.47 -3.82 3.57 -0.59 0.47 116.94 116.88 3kr5 h PHE 289 Ca 0.14 -0.27 0.07 0.00 3.53 0.00 0.00 57.97 61.44 3kr5 h PHE 289 Cb 0.31 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3kr5 h PHE 289 CO -0.32 1.03 0.13 0.78 -2.23 0.00 0.00 178.31 177.70 3kr5 h GLY 290 N 0.93 0.60 0.87 2.40 0.00 -0.74 0.79 103.07 107.91 3kr5 h GLY 290 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3kr5 h GLY 290 CO 0.09 -0.02 0.02 -0.84 0.00 0.00 0.00 176.54 175.79 3kr5 h THR 291 N 0.28 1.25 -0.27 4.70 2.02 -0.76 -1.71 112.91 118.42 3kr5 h THR 291 Ca 0.23 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 3kr5 h THR 291 Cb 0.27 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3kr5 h THR 291 CO -0.27 0.28 -0.17 0.22 0.37 0.00 0.00 175.52 175.96 3kr5 h TYR 292 N 0.27 0.52 -0.32 3.16 3.20 0.31 -0.61 116.97 123.50 3kr5 h TYR 292 Ca 0.08 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3kr5 h TYR 292 Cb 0.39 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3kr5 h TYR 292 CO 0.03 0.63 0.00 -0.92 -1.64 0.00 0.00 178.16 176.26 3kr5 h TYR 293 N 0.44 0.62 -0.47 -3.82 3.20 0.77 0.19 116.97 117.90 3kr5 h TYR 293 Ca 0.08 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.87 3kr5 h TYR 293 Cb 0.55 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3kr5 h TYR 293 CO 0.02 0.69 0.25 0.00 -1.64 0.00 0.00 178.16 177.48 3kr5 h ALA 294 N 0.85 0.59 -0.48 1.82 0.00 -1.08 -1.88 119.26 119.07 3kr5 h ALA 294 Ca 0.09 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kr5 h ALA 294 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3kr5 h ALA 294 CO 0.02 -0.09 0.17 1.03 0.00 0.00 0.00 179.25 180.38 3kr5 h SER 295 N 0.50 0.18 -0.87 0.00 0.87 -0.81 0.62 113.55 114.04 3kr5 h SER 295 Ca 0.20 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 3kr5 h SER 295 Cb 0.07 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 3kr5 h SER 295 CO -0.12 0.13 0.55 1.56 -0.53 0.00 0.00 176.83 178.42 3kr5 h GLN 296 N 0.35 0.99 -0.04 2.24 4.20 -0.24 0.25 115.11 122.86 3kr5 h GLN 296 Ca 0.23 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3kr5 h GLN 296 Cb 0.23 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3kr5 h GLN 296 CO -0.23 0.66 0.01 -0.07 -0.67 0.00 0.00 178.83 178.52 3kr5 h LEU 297 N 1.02 0.06 0.22 1.46 3.38 -0.64 -2.22 115.31 118.59 3kr5 h LEU 297 Ca 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kr5 h LEU 297 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kr5 h LEU 297 CO -0.15 0.30 -0.10 0.40 0.09 0.00 0.00 178.44 178.97 3kr5 h ILE 298 N -0.17 0.80 -0.43 1.22 2.04 -0.64 -2.75 117.51 117.57 3kr5 h ILE 298 Ca 0.01 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3kr5 h ILE 298 Cb 0.26 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3kr5 h ILE 298 CO 0.00 0.01 0.29 0.00 0.00 0.00 0.00 178.15 178.45 3kr5 h ALA 299 N 0.46 1.87 -2.48 1.87 0.00 -0.57 -3.41 119.26 117.01 3kr5 h ALA 299 Ca -0.03 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 3kr5 h ALA 299 Cb 0.24 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kr5 h ALA 299 CO 0.05 0.06 1.00 0.00 0.00 0.00 0.00 179.25 180.36 3kr5 n ALA 300 N -2.50 2.19 -1.07 0.00 0.00 -0.84 -4.92 120.51 113.37 3kr5 n ALA 300 Ca 0.05 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 3kr5 n ALA 300 Cb 0.19 -2.50 0.17 0.00 0.00 0.00 0.00 19.45 17.31 3kr5 n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kr5 s PRO 301 N 1.74 0.54 0.45 0.00 0.02 -1.26 -4.55 135.00 131.93 3kr5 s PRO 301 Ca 0.79 0.71 0.27 0.00 0.02 0.00 0.00 61.00 62.79 3kr5 s PRO 301 Cb -0.55 -1.73 0.82 0.00 0.02 0.00 0.00 34.50 33.06 3kr5 s PRO 301 CO 0.36 -2.70 1.78 0.77 -0.33 0.00 0.00 177.00 176.87 3kr5 h SER 302 N -1.88 0.00 0.64 2.53 0.02 -1.81 0.48 113.55 113.53 3kr5 h SER 302 Ca -0.53 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.28 3kr5 h SER 302 Cb 1.31 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3kr5 h SER 302 CO 0.55 0.00 -0.64 -0.55 -1.14 0.00 0.00 176.83 175.04 3kr5 h ASN 303 N 0.00 0.01 0.00 3.07 -1.07 -1.92 -3.29 115.58 112.38 3kr5 h ASN 303 Ca 0.00 -0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.22 3kr5 h ASN 303 Cb 0.74 -0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.97 3kr5 h ASN 303 CO 0.00 0.65 -0.79 1.88 0.07 0.00 0.00 177.43 179.24 3kr5 h TYR 304 N 0.00 0.00 -3.04 4.14 0.05 -1.58 -3.39 116.97 113.15 3kr5 h TYR 304 Ca -0.01 0.00 -0.73 0.00 0.05 0.00 0.00 58.73 58.04 3kr5 h TYR 304 Cb 1.14 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.66 3kr5 h TYR 304 CO 0.00 1.24 0.03 0.00 -1.05 0.00 0.00 178.16 178.37 3kr5 s ASN 306 N 3.47 3.14 0.36 0.00 2.20 -1.24 -4.28 114.94 118.58 3kr5 s ASN 306 Ca 0.10 -1.50 0.07 0.00 -0.94 0.00 0.00 52.86 50.60 3kr5 s ASN 306 Cb -0.24 0.09 0.78 0.00 -2.00 0.00 0.00 41.25 39.88 3kr5 s ASN 306 CO 0.03 -0.69 1.91 -0.65 -2.94 0.00 0.00 177.10 174.75 3kr5 h PRO 307 N 1.82 0.71 -0.11 3.55 0.11 -1.87 0.31 132.00 136.51 3kr5 h PRO 307 Ca -0.41 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3kr5 h PRO 307 Cb 1.26 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kr5 h PRO 307 CO 0.70 0.47 -0.12 0.28 -0.21 0.00 0.00 178.00 179.12 3kr5 h VAL 308 N 0.73 1.36 -0.11 3.15 2.07 -1.93 -2.02 116.25 119.49 3kr5 h VAL 308 Ca 0.39 -1.29 -0.14 0.00 0.82 0.00 0.00 66.70 66.48 3kr5 h VAL 308 Cb 0.52 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3kr5 h VAL 308 CO -0.16 0.37 -0.54 0.77 0.02 0.00 0.00 177.57 178.03 3kr5 h SER 309 N -0.13 0.35 0.04 0.57 4.64 -1.72 -1.03 113.55 116.27 3kr5 h SER 309 Ca 0.02 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3kr5 h SER 309 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3kr5 h SER 309 CO 0.03 0.83 -0.02 0.25 -0.87 0.00 0.00 176.83 177.05 3kr5 h LEU 310 N 0.25 -0.04 -1.43 5.97 6.46 -0.44 -0.58 115.31 125.49 3kr5 h LEU 310 Ca 0.00 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.39 3kr5 h LEU 310 Cb 1.03 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 3kr5 h LEU 310 CO 0.09 0.36 0.39 0.77 -0.62 0.00 0.00 178.44 179.43 3kr5 h SER 311 N -0.46 0.66 -0.78 1.25 4.64 -1.34 -1.45 113.55 116.09 3kr5 h SER 311 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kr5 h SER 311 Cb 0.42 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3kr5 h SER 311 CO 0.01 0.48 0.50 0.78 -0.87 0.00 0.00 176.83 177.72 3kr5 h ASN 312 N 0.78 0.91 -0.63 4.97 2.35 -0.93 -1.09 115.58 121.94 3kr5 h ASN 312 Ca 0.22 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3kr5 h ASN 312 Cb -0.07 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 3kr5 h ASN 312 CO -0.05 0.68 0.11 0.00 -1.65 0.00 0.00 177.43 176.52 3kr5 h ALA 313 N 1.27 0.98 -0.19 -0.83 0.00 -0.42 -0.43 119.26 119.63 3kr5 h ALA 313 Ca 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kr5 h ALA 313 Cb -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3kr5 h ALA 313 CO -0.06 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.94 3kr5 h ALA 314 N 1.13 0.25 -0.44 0.00 0.00 -0.87 0.21 119.26 119.52 3kr5 h ALA 314 Ca 0.20 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3kr5 h ALA 314 Cb 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3kr5 h ALA 314 CO 0.01 -0.21 0.10 0.28 0.00 0.00 0.00 179.25 179.43 3kr5 h VAL 315 N 0.20 0.78 -0.47 0.00 2.07 -0.88 0.25 116.25 118.20 3kr5 h VAL 315 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kr5 h VAL 315 Cb 0.08 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3kr5 h VAL 315 CO -0.01 0.04 0.31 -0.08 0.02 0.00 0.00 177.57 177.85 3kr5 h GLU 316 N 0.24 0.61 -0.37 1.57 4.81 -0.73 0.57 114.58 121.28 3kr5 h GLU 316 Ca 0.22 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3kr5 h GLU 316 Cb 0.26 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3kr5 h GLU 316 CO -0.27 0.40 0.23 1.25 -0.73 0.00 0.00 179.01 179.89 3kr5 h LEU 317 N 0.62 0.44 -1.03 1.64 5.85 0.23 -1.06 115.31 122.00 3kr5 h LEU 317 Ca 0.18 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kr5 h LEU 317 Cb -0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3kr5 h LEU 317 CO -0.05 0.35 0.65 0.00 -0.34 0.00 0.00 178.44 179.05 3kr5 h ALA 318 N 1.11 1.31 -0.49 1.25 0.00 0.02 -1.17 119.26 121.28 3kr5 h ALA 318 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kr5 h ALA 318 Cb -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3kr5 h ALA 318 CO -0.03 0.64 0.12 1.96 0.00 0.00 0.00 179.25 181.94 3kr5 h GLN 319 N 1.33 0.78 0.00 0.00 4.20 -0.51 0.96 115.11 121.86 3kr5 h GLN 319 Ca 0.37 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3kr5 h GLN 319 Cb -0.13 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 3kr5 h GLN 319 CO -0.08 0.76 -0.12 0.87 -0.67 0.00 0.00 178.83 179.59 3kr5 h LYS 320 N 0.66 0.00 -0.28 1.46 1.57 -0.64 -2.84 116.57 116.51 3kr5 h LYS 320 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kr5 h LYS 320 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kr5 h LYS 320 CO 0.00 0.12 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 3kr5 n LEU 321 N -3.68 2.87 -4.03 2.94 4.77 -0.49 -4.97 117.00 114.41 3kr5 n LEU 321 Ca -0.02 -1.54 -0.32 0.00 -0.03 0.00 0.00 56.01 54.10 3kr5 n LEU 321 Cb 0.23 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kr5 n LEU 321 CO 0.30 0.64 0.02 -0.46 -1.33 0.00 0.00 177.39 176.57 3kr5 n ASN 322 N 0.93 -3.72 -4.84 -1.43 0.23 0.01 -4.92 115.26 101.51 3kr5 n ASN 322 Ca 0.13 -0.89 -0.35 0.00 -0.53 0.00 0.00 54.58 52.94 3kr5 n ASN 322 Cb 0.46 -3.39 -0.06 0.00 -2.08 0.00 0.00 39.78 34.71 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3kr5 s LEU 323 N -7.23 4.34 0.35 -4.53 1.43 0.12 -5.02 118.68 108.13 3kr5 s LEU 323 Ca 0.62 1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.54 3kr5 s LEU 323 Cb -0.32 -3.30 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 3kr5 s LEU 323 CO 0.87 0.10 1.33 -1.61 0.23 0.00 0.00 176.35 177.27 3kr5 s GLU 324 N -1.97 4.25 0.04 1.70 8.01 -0.74 -4.55 118.70 125.44 3kr5 s GLU 324 Ca 0.38 2.26 -0.02 0.00 0.01 0.00 0.00 54.97 57.60 3kr5 s GLU 324 Cb -0.15 -3.00 -0.02 0.00 -4.31 0.00 0.00 34.13 26.65 3kr5 s GLU 324 CO 0.19 -0.29 0.01 1.52 0.01 0.00 0.00 175.26 176.70 3kr5 s TYR 325 N -1.16 0.33 -0.10 1.61 -0.85 -1.26 0.13 117.35 116.06 3kr5 s TYR 325 Ca 0.51 -0.71 -0.06 0.00 -0.52 0.00 0.00 57.07 56.28 3kr5 s TYR 325 Cb -0.40 -0.25 0.04 0.00 0.38 0.00 0.00 41.96 41.73 3kr5 s TYR 325 CO 0.54 -0.31 0.24 0.21 -1.52 0.00 0.00 175.55 174.71 3kr5 s LYS 326 N -2.68 0.23 -0.25 -3.49 2.20 0.14 -4.99 119.74 110.90 3kr5 s LYS 326 Ca -0.04 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.98 3kr5 s LYS 326 Cb -0.01 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3kr5 s LYS 326 CO -0.05 -0.11 -0.01 0.42 -0.36 0.00 0.00 175.35 175.23 3kr5 s ILE 327 N 0.84 3.45 -0.18 5.43 -1.09 -1.26 -0.96 121.20 127.44 3kr5 s ILE 327 Ca -0.06 -0.64 -0.23 0.00 -2.23 0.00 0.00 60.65 57.49 3kr5 s ILE 327 Cb -0.07 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3kr5 s ILE 327 CO -0.05 0.29 0.72 -0.76 -1.23 0.00 0.00 174.94 173.91 3kr5 s LEU 328 N 1.46 4.16 0.59 2.97 1.02 0.18 -4.88 118.68 124.19 3kr5 s LEU 328 Ca 0.04 1.00 0.08 0.00 0.02 0.00 0.00 54.13 55.26 3kr5 s LEU 328 Cb -0.15 -3.05 0.09 0.00 0.02 0.00 0.00 46.19 43.10 3kr5 s LEU 328 CO -0.02 -0.32 0.82 -0.83 0.02 0.00 0.00 176.35 176.02 3kr5 s GLY 329 N 1.16 1.75 0.22 -3.19 0.00 -1.26 -0.47 107.32 105.53 3kr5 s GLY 329 Ca 0.33 -2.05 -0.07 0.00 0.00 0.00 0.00 44.72 42.93 3kr5 s GLY 329 CO 0.11 -1.58 1.75 -2.08 0.00 0.00 0.00 173.10 171.30 3kr5 h VAL 330 N 0.07 0.75 -0.32 1.40 2.07 -1.95 -0.19 116.25 118.08 3kr5 h VAL 330 Ca -0.32 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3kr5 h VAL 330 Cb 1.28 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3kr5 h VAL 330 CO 0.41 0.08 0.19 0.50 0.02 0.00 0.00 177.57 178.77 3kr5 h LYS 331 N 0.46 0.37 -0.50 1.57 3.11 -1.95 0.19 116.57 119.82 3kr5 h LYS 331 Ca 0.35 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 58.09 3kr5 h LYS 331 Cb 0.45 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 3kr5 h LYS 331 CO -0.33 0.24 0.01 0.93 -2.81 0.00 0.00 179.45 177.49 3kr5 h GLU 332 N 0.38 0.88 -0.97 1.90 3.07 -1.78 -1.46 114.58 116.60 3kr5 h GLU 332 Ca 0.12 -0.28 0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3kr5 h GLU 332 Cb -0.00 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 27.77 3kr5 h GLU 332 CO -0.06 0.91 0.64 -0.07 -1.40 0.00 0.00 179.01 179.03 3kr5 h LEU 333 N 0.74 1.05 -0.27 1.33 3.38 -0.41 0.16 115.31 121.30 3kr5 h LEU 333 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kr5 h LEU 333 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kr5 h LEU 333 CO 0.02 0.72 0.08 -0.33 0.09 0.00 0.00 178.44 179.02 3kr5 h GLU 334 N 1.22 0.42 -0.78 1.13 5.08 -0.40 -1.20 114.58 120.05 3kr5 h GLU 334 Ca 0.39 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 3kr5 h GLU 334 Cb 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3kr5 h GLU 334 CO -0.12 0.48 0.51 0.93 -1.00 0.00 0.00 179.01 179.81 3kr5 h GLU 335 N 0.27 0.81 -0.00 2.33 3.07 -0.68 0.12 114.58 120.50 3kr5 h GLU 335 Ca 0.09 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3kr5 h GLU 335 Cb 0.24 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3kr5 h GLU 335 CO -0.00 0.54 -0.05 1.28 -1.40 0.00 0.00 179.01 179.38 3kr5 n LEU 336 N -4.48 0.29 -2.55 1.33 4.77 0.51 -4.92 117.00 111.95 3kr5 n LEU 336 Ca 0.11 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 3kr5 n LEU 336 Cb 0.21 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3kr5 n LEU 336 CO 0.33 0.05 0.12 0.29 -1.33 0.00 0.00 177.39 176.86 3kr5 n LYS 337 N -0.99 -5.02 -2.20 3.23 5.02 0.03 -4.69 118.16 113.54 3kr5 n LYS 337 Ca 0.17 0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 56.64 3kr5 n LYS 337 Cb 0.23 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -3.52 3.45 0.11 1.97 2.81 -0.74 -1.93 117.12 119.26 3kr5 n MET 338 Ca -0.02 -3.32 -0.04 0.00 -1.81 0.00 0.00 57.70 52.52 3kr5 n MET 338 Cb 0.56 -3.01 0.09 0.00 -0.71 0.00 0.00 33.22 30.15 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 8.37 0.05 0.61 3.03 0.00 -1.71 0.18 103.07 113.60 3kr5 h GLY 339 Ca 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3kr5 h GLY 339 CO 1.69 0.06 -0.04 0.00 0.00 0.00 0.00 176.54 178.25 3kr5 h ALA 340 N 1.24 0.07 -0.18 3.60 0.00 -1.84 -1.14 119.26 121.02 3kr5 h ALA 340 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kr5 h ALA 340 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3kr5 h ALA 340 CO 0.10 -0.16 0.10 -0.92 0.00 0.00 0.00 179.25 178.37 3kr5 h TYR 341 N -0.30 0.25 0.00 0.00 3.20 -1.61 -2.86 116.97 115.65 3kr5 h TYR 341 Ca 0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3kr5 h TYR 341 Cb 0.51 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3kr5 h TYR 341 CO 0.08 0.24 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.47 3kr5 h LEU 342 N 0.19 0.00 -0.70 2.82 3.38 -0.97 -2.95 115.31 117.08 3kr5 h LEU 342 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 342 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kr5 h LEU 342 CO -0.01 0.30 0.00 0.28 0.09 0.00 0.00 178.44 179.11 3kr5 h SER 343 N 0.00 0.98 -0.59 -0.43 0.02 -0.96 -2.46 113.55 110.11 3kr5 h SER 343 Ca -0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3kr5 h SER 343 Cb 0.59 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3kr5 h SER 343 CO 0.04 1.03 0.24 0.58 -1.14 0.00 0.00 176.83 177.58 3kr5 h VAL 344 N 0.92 1.22 0.00 2.27 2.07 -1.47 -2.60 116.25 118.66 3kr5 h VAL 344 Ca 0.17 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3kr5 h VAL 344 Cb 0.53 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3kr5 h VAL 344 CO 0.03 0.28 -0.20 0.61 0.02 0.00 0.00 177.57 178.31 3kr5 n GLY 345 N -0.99 -1.53 0.34 2.17 0.00 -1.03 -4.13 105.19 100.02 3kr5 n GLY 345 Ca 0.05 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 0.60 0.00 1.61 1.57 -1.03 0.17 116.57 119.48 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 0.64 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3kr5 h LYS 346 CO 0.00 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 3kr5 n GLY 347 N -1.32 -1.31 3.85 3.86 0.00 -1.25 -4.45 105.19 104.57 3kr5 n GLY 347 Ca 0.24 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.89 6.73 0.07 1.61 0.15 0.58 -4.58 113.70 114.36 3kr5 s SER 348 Ca 0.07 1.22 0.25 0.00 0.70 0.00 0.00 55.95 58.19 3kr5 s SER 348 Cb 0.11 -2.35 1.01 0.00 -1.71 0.00 0.00 66.02 63.07 3kr5 s SER 348 CO 0.41 -0.21 1.79 1.15 1.20 0.00 0.00 173.24 177.58 3kr5 n MET 349 N -0.44 0.07 -3.69 5.44 0.00 -1.26 -4.69 117.12 112.55 3kr5 n MET 349 Ca 0.03 0.13 -0.37 0.00 0.00 0.00 0.00 57.70 57.49 3kr5 n MET 349 Cb 0.53 -1.60 -0.11 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 -3.05 3.18 0.47 3.17 1.51 -1.26 -4.90 117.35 116.47 3kr5 s TYR 350 Ca 0.11 -0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 3kr5 s TYR 350 Cb 0.15 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.63 3kr5 s TYR 350 CO 0.48 -0.19 1.38 -2.30 -1.11 0.00 0.00 175.55 173.81 3kr5 n PRO 351 N 4.81 2.05 -1.68 -1.71 -0.02 -1.26 -4.75 135.00 132.43 3kr5 n PRO 351 Ca -0.15 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 3kr5 n PRO 351 Cb 0.52 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3kr5 n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kr5 n ASN 352 N -0.28 2.52 -3.88 2.55 4.13 -1.26 -4.51 115.26 114.52 3kr5 n ASN 352 Ca 0.07 1.19 -0.25 0.00 1.68 0.00 0.00 54.58 57.27 3kr5 n ASN 352 Cb 0.42 -1.46 -0.17 0.00 -1.54 0.00 0.00 39.78 37.03 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 -1.87 1.23 -0.27 3.52 -0.14 -0.76 -3.99 119.74 117.45 3kr5 s LYS 353 Ca 0.56 -0.16 -0.12 0.00 -1.36 0.00 0.00 55.97 54.89 3kr5 s LYS 353 Cb -0.58 -1.32 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 3kr5 s LYS 353 CO 0.61 -0.22 0.24 0.12 -0.76 0.00 0.00 175.35 175.34 3kr5 s PHE 354 N 1.56 3.24 -0.22 3.18 2.19 0.38 -1.18 117.98 127.14 3kr5 s PHE 354 Ca 0.01 0.21 -0.17 0.00 0.33 0.00 0.00 56.93 57.31 3kr5 s PHE 354 Cb -0.13 -2.42 -0.03 0.00 -1.31 0.00 0.00 43.02 39.13 3kr5 s PHE 354 CO -0.05 -0.15 0.48 0.42 1.83 0.00 0.00 175.22 177.74 3kr5 s ILE 355 N 1.76 5.13 -0.29 3.12 1.01 0.13 -0.64 121.20 131.41 3kr5 s ILE 355 Ca 0.09 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3kr5 s ILE 355 Cb -0.16 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.60 3kr5 s ILE 355 CO 0.10 0.18 0.06 -2.28 0.00 0.00 0.00 174.94 173.00 3kr5 s HIS 356 N 1.70 2.13 -0.03 3.97 2.46 -0.13 -1.22 115.29 124.18 3kr5 s HIS 356 Ca 0.22 -1.90 -0.00 0.00 0.47 0.00 0.00 55.06 53.85 3kr5 s HIS 356 Cb -0.15 -1.86 -0.04 0.00 -0.13 0.00 0.00 32.58 30.40 3kr5 s HIS 356 CO 0.09 -0.85 0.02 -0.51 -2.47 0.00 0.00 174.74 171.02 3kr5 s LEU 357 N 1.47 3.63 -0.05 8.88 1.02 0.85 0.27 118.68 134.76 3kr5 s LEU 357 Ca 0.07 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.31 3kr5 s LEU 357 Cb -0.18 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.03 3kr5 s LEU 357 CO -0.18 0.31 -0.07 -0.89 0.02 0.00 0.00 176.35 175.54 3kr5 s THR 358 N -1.05 0.74 -0.17 5.49 2.01 0.12 0.68 115.64 123.46 3kr5 s THR 358 Ca 0.18 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3kr5 s THR 358 Cb -0.12 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 3kr5 s THR 358 CO 0.09 0.26 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.73 3kr5 s TYR 359 N 0.74 2.91 -0.07 4.92 5.04 0.73 -1.79 117.35 129.83 3kr5 s TYR 359 Ca -0.12 -0.72 0.05 0.00 -2.44 0.00 0.00 57.07 53.84 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 0.01 -0.33 -0.23 0.21 -1.34 0.00 0.00 175.55 173.88 3kr5 s LYS 360 N 0.84 2.69 0.68 4.97 2.20 -1.26 0.49 119.74 130.34 3kr5 s LYS 360 Ca -0.02 -0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 54.59 3kr5 s LYS 360 Cb -0.15 -2.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 3kr5 s LYS 360 CO 0.01 0.36 1.10 -1.12 -0.36 0.00 0.00 175.35 175.34 3kr5 s SER 361 N -0.11 5.04 0.12 1.43 0.01 0.71 -4.98 113.70 115.93 3kr5 s SER 361 Ca -0.05 1.92 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 3kr5 s SER 361 Cb -0.14 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3kr5 s SER 361 CO 0.04 -1.67 1.55 0.11 0.41 0.00 0.00 173.24 173.68 3kr5 h LYS 362 N -0.24 0.68 0.00 12.44 1.79 -1.90 -3.46 116.57 125.89 3kr5 h LYS 362 Ca -0.46 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.78 3kr5 h LYS 362 Cb 1.24 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3kr5 h LYS 362 CO 0.54 0.80 0.00 0.41 -1.08 0.00 0.00 179.45 180.12 3kr5 n GLY 363 N -0.30 -0.61 3.74 3.86 0.00 -1.26 -4.97 105.19 105.65 3kr5 n GLY 363 Ca -0.01 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.17 6.85 -0.23 1.61 1.11 -1.26 -4.83 116.67 118.75 3kr5 s ASP 364 Ca 0.00 2.45 -0.23 0.00 0.18 0.00 0.00 52.55 54.95 3kr5 s ASP 364 Cb 0.00 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 3kr5 s ASP 364 CO 0.00 -0.56 0.75 -0.69 1.18 0.00 0.00 175.17 175.85 3kr5 s VAL 365 N 0.08 4.90 -0.02 -1.27 1.01 -1.26 -3.87 120.40 119.97 3kr5 s VAL 365 Ca 0.57 1.41 0.16 0.00 0.00 0.00 0.00 61.98 64.11 3kr5 s VAL 365 Cb -0.37 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 3kr5 s VAL 365 CO 0.39 -0.01 0.34 0.29 0.00 0.00 0.00 175.10 176.11 3kr5 n LYS 366 N 5.73 0.48 -3.77 2.72 5.02 0.13 -4.96 118.16 123.51 3kr5 n LYS 366 Ca 0.03 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.04 3kr5 n LYS 366 Cb 0.48 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.98 3kr5 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr5 s LYS 367 N -3.07 0.03 -0.15 1.97 2.47 -0.86 -5.04 119.74 115.09 3kr5 s LYS 367 Ca -0.06 0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.60 3kr5 s LYS 367 Cb 0.10 -0.18 -0.00 0.00 -1.46 0.00 0.00 37.83 36.29 3kr5 s LYS 367 CO 0.64 -0.14 -0.15 0.15 0.16 0.00 0.00 175.35 176.01 3kr5 s LYS 368 N 0.95 3.24 -0.07 4.03 1.02 -1.26 -1.03 119.74 126.62 3kr5 s LYS 368 Ca -0.08 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.21 3kr5 s LYS 368 Cb -0.10 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3kr5 s LYS 368 CO -0.04 0.04 -0.18 0.42 -0.92 0.00 0.00 175.35 174.68 3kr5 s ILE 369 N 0.76 1.52 -0.23 2.17 1.01 0.87 0.32 121.20 127.62 3kr5 s ILE 369 Ca -0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3kr5 s ILE 369 Cb -0.15 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3kr5 s ILE 369 CO 0.01 0.44 0.05 0.00 0.00 0.00 0.00 174.94 175.43 3kr5 s ALA 370 N 0.36 3.12 -0.27 9.38 0.00 0.82 -0.37 121.76 134.82 3kr5 s ALA 370 Ca -0.12 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 3kr5 s ALA 370 Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3kr5 s ALA 370 CO 0.05 -0.36 0.07 -0.51 0.00 0.00 0.00 175.76 175.01 3kr5 s LEU 371 N 1.38 3.59 -0.22 0.00 1.43 0.20 -1.19 118.68 123.87 3kr5 s LEU 371 Ca 0.05 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3kr5 s LEU 371 Cb -0.15 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3kr5 s LEU 371 CO 0.03 -0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.75 3kr5 s VAL 372 N 1.57 3.13 -0.13 -1.59 1.01 0.73 -0.23 120.40 124.89 3kr5 s VAL 372 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3kr5 s VAL 372 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3kr5 s VAL 372 CO 0.03 0.43 -0.04 -0.83 0.00 0.00 0.00 175.10 174.69 3kr5 s GLY 373 N 1.44 1.74 0.13 4.51 0.00 0.18 0.25 107.32 115.57 3kr5 s GLY 373 Ca 0.05 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 3kr5 s GLY 373 CO -0.05 -0.27 1.55 1.25 0.00 0.00 0.00 173.10 175.58 3kr5 s LYS 374 N -0.08 4.23 -0.48 2.90 2.20 -0.42 -4.07 119.74 124.03 3kr5 s LYS 374 Ca 0.02 2.30 0.08 0.00 -0.36 0.00 0.00 55.97 58.01 3kr5 s LYS 374 Cb -0.13 -3.27 0.32 0.00 -1.51 0.00 0.00 37.83 33.23 3kr5 s LYS 374 CO 0.02 -0.60 0.76 0.41 -0.36 0.00 0.00 175.35 175.58 3kr5 n GLY 375 N 3.76 4.26 3.51 5.54 0.00 -1.25 -0.63 105.19 120.37 3kr5 n GLY 375 Ca 0.14 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.84 5.00 -0.14 -0.61 -1.09 -1.01 -1.12 121.20 119.40 3kr5 s ILE 376 Ca 0.42 -0.05 0.14 0.00 -2.23 0.00 0.00 60.65 58.93 3kr5 s ILE 376 Cb 0.27 -4.06 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3kr5 s ILE 376 CO -0.09 -0.41 1.42 0.71 -1.23 0.00 0.00 174.94 175.34 3kr5 h THR 377 N 5.74 0.92 -2.69 2.92 1.35 -1.26 -1.18 112.91 118.71 3kr5 h THR 377 Ca -0.27 -2.31 -0.12 0.00 -0.55 0.00 0.00 66.41 63.16 3kr5 h THR 377 Cb 1.11 2.45 -0.26 0.00 -1.73 0.00 0.00 68.15 69.72 3kr5 h THR 377 CO 0.81 0.53 -0.30 0.12 -0.25 0.00 0.00 175.52 176.43 3kr5 s PHE 378 N -2.94 -0.56 -0.56 4.73 5.36 -1.26 -4.39 117.98 118.36 3kr5 s PHE 378 Ca 0.04 1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 57.20 3kr5 s PHE 378 Cb 0.08 0.23 0.15 0.00 -0.34 0.00 0.00 43.02 43.14 3kr5 s PHE 378 CO 0.75 -0.31 0.38 0.34 -1.46 0.00 0.00 175.22 174.92 3kr5 s ASP 379 N 1.18 5.29 0.45 6.13 2.15 -1.20 -0.79 116.67 129.88 3kr5 s ASP 379 Ca -0.08 -2.59 0.29 0.00 0.43 0.00 0.00 52.55 50.60 3kr5 s ASP 379 Cb -0.07 -1.86 0.97 0.00 -0.30 0.00 0.00 42.92 41.66 3kr5 s ASP 379 CO -0.10 -0.43 1.82 0.77 -0.17 0.00 0.00 175.17 177.06 3kr5 h SER 380 N 7.38 0.00 0.00 -0.34 4.64 -1.57 -3.45 113.55 120.20 3kr5 h SER 380 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 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 0.72 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3kr5 n GLY 381 N 0.45 2.84 7.00 -0.77 0.00 -1.26 -0.83 105.19 112.62 3kr5 n GLY 381 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -2.00 0.13 0.32 -0.02 0.00 -1.26 -2.02 105.19 100.35 3kr5 n GLY 382 Ca 0.00 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.25 3kr5 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr5 h TYR 383 N 0.00 0.00 -0.26 1.61 0.05 -1.81 0.31 116.97 116.88 3kr5 h TYR 383 Ca 0.00 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.35 3kr5 h TYR 383 Cb 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 3kr5 h TYR 383 CO 0.00 0.00 1.25 0.09 -1.05 0.00 0.00 178.16 178.45 3kr5 n ASN 384 N -4.21 6.73 -4.47 3.88 4.13 -1.19 -4.97 115.26 115.16 3kr5 n ASN 384 Ca 0.02 -2.67 -0.52 0.00 1.68 0.00 0.00 54.58 53.09 3kr5 n ASN 384 Cb 0.31 -1.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.07 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 2.52 -0.21 -4.57 3.41 7.94 0.11 -4.52 117.00 121.68 3kr5 n LEU 385 Ca 0.56 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 56.36 3kr5 n LEU 385 Cb 0.60 -1.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.49 3kr5 n LEU 385 CO 0.42 -2.25 1.38 -0.54 -1.11 0.00 0.00 177.39 175.30 3kr5 s LYS 386 N -0.55 2.30 -0.01 1.96 1.02 -0.01 -4.47 119.74 119.99 3kr5 s LYS 386 Ca 0.75 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 56.13 3kr5 s LYS 386 Cb -1.03 -5.12 -0.09 0.00 -0.52 0.00 0.00 37.83 31.07 3kr5 s LYS 386 CO 0.56 -3.99 0.14 0.00 -0.92 0.00 0.00 175.35 171.14 3kr5 n ALA 387 N 15.16 2.28 -1.76 5.17 0.00 -1.26 -4.69 120.51 135.40 3kr5 n ALA 387 Ca 0.43 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 3kr5 n ALA 387 Cb 0.46 -0.20 0.02 0.00 0.00 0.00 0.00 19.45 19.73 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -2.30 2.94 0.23 0.00 0.00 -1.26 -4.95 121.76 116.43 3kr5 s ALA 388 Ca -0.02 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3kr5 s ALA 388 Cb 0.04 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 3kr5 s ALA 388 CO 0.24 -1.05 1.35 -2.30 0.00 0.00 0.00 175.76 174.00 3kr5 n PRO 389 N -0.67 1.88 -1.00 0.00 -0.02 -1.26 -1.98 135.00 131.96 3kr5 n PRO 389 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kr5 n PRO 389 Cb 0.46 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.05 0.83 0.07 -1.23 0.00 -1.26 -4.88 105.19 100.77 3kr5 n GLY 390 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3kr5 n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 391 N -0.00 0.46 -3.74 1.61 3.41 -0.83 -4.95 113.62 109.57 3kr5 n SER 391 Ca 0.00 0.58 -0.22 0.00 -0.26 0.00 0.00 58.87 58.97 3kr5 n SER 391 Cb 0.00 -0.69 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 3kr5 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr5 n MET 392 N -1.97 -4.72 -0.06 4.33 2.81 -1.26 -4.86 117.12 111.40 3kr5 n MET 392 Ca 0.04 0.59 0.13 0.00 -1.81 0.00 0.00 57.70 56.65 3kr5 n MET 392 Cb 0.30 -5.10 0.53 0.00 -0.71 0.00 0.00 33.22 28.23 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 -1.87 0.88 0.00 2.02 2.10 -1.92 -1.18 117.51 117.55 3kr5 h ILE 393 Ca -0.61 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.21 3kr5 h ILE 393 Cb 1.36 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3kr5 h ILE 393 CO 0.57 0.06 0.00 -0.90 -1.08 0.00 0.00 178.15 176.81 3kr5 n ASP 394 N -4.46 0.24 0.01 2.19 5.75 -1.26 -1.67 116.55 117.35 3kr5 n ASP 394 Ca 0.09 0.57 0.11 0.00 -0.01 0.00 0.00 54.79 55.55 3kr5 n ASP 394 Cb 0.38 -0.61 -0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3kr5 n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kr5 n LEU 395 N -1.77 0.66 0.00 -2.12 7.94 -0.45 -4.60 117.00 116.66 3kr5 n LEU 395 Ca 0.02 -0.16 0.06 0.00 -1.11 0.00 0.00 56.01 54.83 3kr5 n LEU 395 Cb 0.16 -0.08 0.36 0.00 0.53 0.00 0.00 43.42 44.38 3kr5 n LEU 395 CO 0.14 0.11 0.64 0.23 -1.11 0.00 0.00 177.39 177.39 3kr5 n MET 396 N -1.79 0.29 0.29 1.96 2.81 -0.67 -0.78 117.12 119.23 3kr5 n MET 396 Ca 0.03 0.09 0.19 0.00 -1.81 0.00 0.00 57.70 56.20 3kr5 n MET 396 Cb 0.40 -1.50 1.03 0.00 -0.71 0.00 0.00 33.22 32.45 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 -0.01 0.03 2.10 -1.81 -2.52 116.57 114.35 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 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 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 -2.85 0.01 1.30 0.07 -0.00 0.04 -3.96 117.46 112.06 3kr5 n PHE 398 Ca -0.03 -0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.51 3kr5 n PHE 398 Cb 0.09 0.00 0.53 0.00 -0.00 0.00 0.00 39.48 40.09 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 -0.29 0.00 -1.03 5.98 2.03 -0.96 -1.50 116.55 120.79 3kr5 n ASP 399 Ca 0.21 -0.75 0.08 0.00 0.52 0.00 0.00 54.79 54.85 3kr5 n ASP 399 Cb 0.25 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.92 3kr5 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr5 n MET 400 N -0.92 3.23 -0.23 -0.67 0.00 -0.45 -2.41 117.12 115.67 3kr5 n MET 400 Ca 0.13 -2.72 0.00 0.00 0.00 0.00 0.00 57.70 55.11 3kr5 n MET 400 Cb 0.06 -1.78 0.12 0.00 0.00 0.00 0.00 33.22 31.62 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 2.34 0.46 -0.21 3.17 0.02 -1.42 0.22 113.55 118.14 3kr5 h SER 401 Ca 0.00 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3kr5 h SER 401 Cb 1.36 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 3kr5 h SER 401 CO 0.21 0.27 0.01 1.23 -1.14 0.00 0.00 176.83 177.41 3kr5 h GLY 402 N 0.60 0.20 0.63 -3.77 0.00 -1.75 0.48 103.07 99.47 3kr5 h GLY 402 Ca 0.33 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.74 3kr5 h GLY 402 CO -0.25 -0.03 0.39 0.00 0.00 0.00 0.00 176.54 176.65 3kr5 h ALA 404 N 1.38 0.51 -0.45 0.00 0.00 0.69 -0.01 119.26 121.37 3kr5 h ALA 404 Ca 0.32 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3kr5 h ALA 404 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3kr5 h ALA 404 CO -0.20 0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.22 3kr5 h ALA 405 N 1.09 0.54 -0.37 0.00 0.00 0.12 0.45 119.26 121.08 3kr5 h ALA 405 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 405 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kr5 h ALA 405 CO -0.02 -0.24 0.19 0.28 0.00 0.00 0.00 179.25 179.45 3kr5 h VAL 406 N 0.31 1.16 -0.65 0.00 2.07 -0.90 -0.50 116.25 117.75 3kr5 h VAL 406 Ca 0.22 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3kr5 h VAL 406 Cb 0.22 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3kr5 h VAL 406 CO -0.23 0.17 0.13 -0.07 0.02 0.00 0.00 177.57 177.59 3kr5 h LEU 407 N 0.47 1.01 -0.79 2.57 3.38 -0.57 0.13 115.31 121.51 3kr5 h LEU 407 Ca 0.13 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kr5 h LEU 407 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3kr5 h LEU 407 CO -0.02 1.00 0.52 1.23 0.09 0.00 0.00 178.44 181.26 3kr5 h GLY 408 N 0.98 1.13 0.97 0.83 0.00 0.04 -1.15 103.07 105.87 3kr5 h GLY 408 Ca 0.20 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kr5 h GLY 408 CO 0.01 0.38 0.25 0.00 0.00 0.00 0.00 176.54 177.17 3kr5 h ALA 410 N 1.15 1.73 -0.07 0.00 0.00 -0.12 0.13 119.26 122.09 3kr5 h ALA 410 Ca 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kr5 h ALA 410 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kr5 h ALA 410 CO -0.05 0.02 0.04 -0.92 0.00 0.00 0.00 179.25 178.35 3kr5 h TYR 411 N 0.79 0.09 0.15 0.00 3.20 -0.54 0.20 116.97 120.86 3kr5 h TYR 411 Ca 0.46 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 3kr5 h TYR 411 Cb 0.64 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3kr5 h TYR 411 CO -0.00 0.11 -0.07 0.00 -1.64 0.00 0.00 178.16 176.55 3kr5 h VAL 413 N -0.33 1.13 0.00 0.00 2.07 -0.80 0.24 116.25 118.55 3kr5 h VAL 413 Ca -0.02 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3kr5 h VAL 413 Cb 0.26 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kr5 h VAL 413 CO 0.03 0.14 -0.14 1.23 0.02 0.00 0.00 177.57 178.85 3kr5 h GLY 414 N 0.75 0.00 0.14 2.17 0.00 -0.48 0.14 103.07 105.79 3kr5 h GLY 414 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 3kr5 h GLY 414 CO -0.05 0.00 -0.89 -0.84 0.00 0.00 0.00 176.54 174.76 3kr5 h THR 415 N 0.00 1.23 0.00 4.70 2.02 -0.78 -3.37 112.91 116.72 3kr5 h THR 415 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3kr5 h THR 415 Cb 0.25 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3kr5 h THR 415 CO 0.02 0.51 0.00 -0.07 0.37 0.00 0.00 175.52 176.34 3kr5 h LEU 416 N -0.82 0.00 -3.22 2.58 3.38 -0.50 -3.48 115.31 113.24 3kr5 h LEU 416 Ca -0.22 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.37 3kr5 h LEU 416 Cb 1.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.12 3kr5 h LEU 416 CO -0.07 0.00 -0.81 0.29 0.09 0.00 0.00 178.44 177.93 3kr5 n LYS 417 N -2.57 -1.25 -1.07 1.13 5.02 0.48 -4.94 118.16 114.97 3kr5 n LYS 417 Ca 0.04 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 3kr5 n LYS 417 Cb 0.42 -3.93 0.12 0.00 -0.02 0.00 0.00 35.03 31.63 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 -5.29 1.75 0.25 1.97 0.04 -1.26 -5.03 135.00 127.43 3kr5 s PRO 418 Ca 0.29 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.78 3kr5 s PRO 418 Cb -0.11 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3kr5 s PRO 418 CO 0.85 -2.06 0.30 -1.21 0.04 0.00 0.00 177.00 174.93 3kr5 s GLU 419 N -4.66 3.24 -1.44 4.56 2.02 -1.26 -4.59 118.70 116.58 3kr5 s GLU 419 Ca 0.65 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.77 3kr5 s GLU 419 Cb -0.21 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3kr5 s GLU 419 CO 0.55 0.41 0.00 0.09 0.02 0.00 0.00 175.26 176.33 3kr5 n ASN 420 N -1.33 -5.09 -4.24 -0.19 3.02 -1.25 -4.96 115.26 101.23 3kr5 n ASN 420 Ca -0.08 0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.55 3kr5 n ASN 420 Cb 0.57 -3.78 -0.14 0.00 -0.61 0.00 0.00 39.78 35.82 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 -2.35 1.61 -0.20 2.41 -7.23 -1.26 0.18 120.40 113.56 3kr5 s VAL 421 Ca 0.00 -1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3kr5 s VAL 421 Cb 0.00 -1.40 0.02 0.00 0.56 0.00 0.00 36.38 35.55 3kr5 s VAL 421 CO 0.00 0.19 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.13 3kr5 s GLU 422 N -1.16 3.02 -0.10 4.82 2.12 -0.20 -0.21 118.70 127.00 3kr5 s GLU 422 Ca 0.07 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.61 3kr5 s GLU 422 Cb -0.09 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 3kr5 s GLU 422 CO 0.02 -0.24 -0.23 0.42 -0.54 0.00 0.00 175.26 174.69 3kr5 s ILE 423 N 1.32 2.19 -0.20 -3.70 1.01 0.18 -0.09 121.20 121.90 3kr5 s ILE 423 Ca 0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 3kr5 s ILE 423 Cb -0.14 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3kr5 s ILE 423 CO -0.10 0.56 0.01 -1.00 0.00 0.00 0.00 174.94 174.41 3kr5 s HIS 424 N 0.26 3.06 -0.29 3.97 3.76 0.51 -0.19 115.29 126.36 3kr5 s HIS 424 Ca -0.16 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.29 3kr5 s HIS 424 Cb -0.17 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.42 3kr5 s HIS 424 CO 0.08 -0.20 0.10 -0.06 -0.85 0.00 0.00 174.74 173.80 3kr5 s PHE 425 N 0.98 3.15 0.00 1.40 0.08 0.21 0.58 117.98 124.38 3kr5 s PHE 425 Ca 0.02 -0.81 0.06 0.00 0.12 0.00 0.00 56.93 56.32 3kr5 s PHE 425 Cb -0.14 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3kr5 s PHE 425 CO 0.02 -0.52 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.91 3kr5 s LEU 426 N 1.54 2.07 -0.23 -0.37 1.43 0.68 -0.10 118.68 123.70 3kr5 s LEU 426 Ca 0.04 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 3kr5 s LEU 426 Cb -0.17 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.15 3kr5 s LEU 426 CO 0.03 0.22 0.53 -0.55 0.23 0.00 0.00 176.35 176.81 3kr5 s SER 427 N -0.65 -0.68 -0.79 2.29 0.15 -0.35 -0.65 113.70 113.02 3kr5 s SER 427 Ca 0.07 1.22 -0.24 0.00 0.70 0.00 0.00 55.95 57.70 3kr5 s SER 427 Cb -0.08 1.42 0.06 0.00 -1.71 0.00 0.00 66.02 65.71 3kr5 s SER 427 CO -0.00 -0.22 1.20 0.00 1.20 0.00 0.00 173.24 175.42 3kr5 s ALA 428 N 2.14 2.92 -0.08 5.45 0.00 -1.26 0.17 121.76 131.09 3kr5 s ALA 428 Ca -0.07 -1.83 -0.15 0.00 0.00 0.00 0.00 51.96 49.92 3kr5 s ALA 428 Cb -0.09 -4.17 -0.05 0.00 0.00 0.00 0.00 23.12 18.81 3kr5 s ALA 428 CO -0.16 -3.17 0.37 0.08 0.00 0.00 0.00 175.76 172.89 3kr5 s VAL 429 N 4.77 5.18 0.27 0.00 1.01 -0.32 -3.86 120.40 127.45 3kr5 s VAL 429 Ca 0.33 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.88 3kr5 s VAL 429 Cb -0.09 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.66 3kr5 s VAL 429 CO 0.06 0.47 0.83 0.00 0.00 0.00 0.00 175.10 176.46 3kr5 s GLU 431 N -2.07 1.65 -0.62 0.00 2.12 -1.26 -0.81 118.70 117.70 3kr5 s GLU 431 Ca 0.18 -0.51 -0.18 0.00 0.36 0.00 0.00 54.97 54.81 3kr5 s GLU 431 Cb -0.04 -1.42 0.12 0.00 0.26 0.00 0.00 34.13 33.05 3kr5 s GLU 431 CO 0.08 0.16 0.71 1.21 -0.54 0.00 0.00 175.26 176.88 3kr5 s ASN 432 N 0.23 6.25 0.44 -1.70 2.47 0.03 -4.28 114.94 118.39 3kr5 s ASN 432 Ca -0.07 -1.62 0.05 0.00 0.42 0.00 0.00 52.86 51.64 3kr5 s ASN 432 Cb -0.12 -2.29 -0.06 0.00 -1.45 0.00 0.00 41.25 37.33 3kr5 s ASN 432 CO 0.02 -1.04 0.01 -0.04 -3.72 0.00 0.00 177.10 172.34 3kr5 s MET 433 N 2.35 2.03 -0.22 0.43 -1.94 -1.26 -1.32 119.30 119.37 3kr5 s MET 433 Ca 0.12 -2.20 -0.05 0.00 -1.71 0.00 0.00 55.69 51.85 3kr5 s MET 433 Cb -0.23 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.04 3kr5 s MET 433 CO 0.04 -0.17 -0.02 0.08 -0.01 0.00 0.00 175.02 174.94 3kr5 s VAL 434 N -2.80 3.65 0.23 -6.03 1.01 -1.26 -4.42 120.40 110.79 3kr5 s VAL 434 Ca 0.25 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 3kr5 s VAL 434 Cb 0.07 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kr5 s VAL 434 CO 0.13 0.41 0.57 -0.55 0.00 0.00 0.00 175.10 175.66 3kr5 s SER 435 N 1.34 -0.23 0.46 3.32 0.15 -1.26 -4.97 113.70 112.51 3kr5 s SER 435 Ca 0.04 -0.61 0.32 0.00 0.70 0.00 0.00 55.95 56.40 3kr5 s SER 435 Cb -0.14 0.62 1.57 0.00 -1.71 0.00 0.00 66.02 66.36 3kr5 s SER 435 CO -0.01 -1.15 1.96 0.07 1.20 0.00 0.00 173.24 175.31 3kr5 h LYS 436 N 2.15 0.00 -0.00 5.44 2.10 -1.98 -2.98 116.57 121.30 3kr5 h LYS 436 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kr5 h LYS 436 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kr5 h LYS 436 CO 0.33 0.00 -0.77 0.09 -2.00 0.00 0.00 179.45 177.10 3kr5 n ASN 437 N -2.67 0.93 -4.69 7.07 5.03 -1.26 -4.99 115.26 114.68 3kr5 n ASN 437 Ca -0.01 -0.81 -0.33 0.00 0.87 0.00 0.00 54.58 54.31 3kr5 n ASN 437 Cb 0.13 0.68 0.14 0.00 -1.02 0.00 0.00 39.78 39.72 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 -2.93 3.34 0.60 6.41 0.01 -1.13 -3.83 113.70 116.17 3kr5 s SER 438 Ca 0.11 2.31 -0.14 0.00 1.31 0.00 0.00 55.95 59.54 3kr5 s SER 438 Cb 0.17 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 3kr5 s SER 438 CO 0.78 -2.83 1.03 -0.72 0.41 0.00 0.00 173.24 171.91 3kr5 s TYR 439 N -2.32 3.28 0.18 2.43 1.13 -1.26 -4.83 117.35 115.96 3kr5 s TYR 439 Ca 0.71 1.43 0.08 0.00 -1.41 0.00 0.00 57.07 57.88 3kr5 s TYR 439 Cb -0.27 -2.86 -0.04 0.00 -1.10 0.00 0.00 41.96 37.69 3kr5 s TYR 439 CO 0.53 -0.84 -0.03 1.03 -2.51 0.00 0.00 175.55 173.73 3kr5 s ARG 440 N -4.51 2.30 0.28 -3.49 0.52 -1.26 -4.55 118.95 108.23 3kr5 s ARG 440 Ca 0.59 -1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 3kr5 s ARG 440 Cb -0.13 -2.29 -0.13 0.00 0.52 0.00 0.00 34.95 32.92 3kr5 s ARG 440 CO 0.43 0.44 1.36 -2.30 0.02 0.00 0.00 175.30 175.25 3kr5 n PRO 441 N -0.14 2.07 0.00 3.54 -0.01 -1.26 -1.83 135.00 137.37 3kr5 n PRO 441 Ca -0.10 0.73 0.00 0.00 -0.01 0.00 0.00 63.50 64.13 3kr5 n PRO 441 Cb 0.55 -2.36 0.00 0.00 -0.01 0.00 0.00 33.50 31.68 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kr5 n GLY 442 N 1.68 3.28 3.61 -1.23 0.00 0.21 -5.02 105.19 107.72 3kr5 n GLY 442 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 0.02 1.36 -4.33 1.61 9.92 -0.76 -4.47 116.55 119.90 3kr5 n ASP 443 Ca 0.00 1.07 -0.35 0.00 -0.53 0.00 0.00 54.79 54.98 3kr5 n ASP 443 Cb 0.00 -1.35 -0.14 0.00 -0.64 0.00 0.00 41.12 38.99 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 -1.23 3.37 0.23 0.53 1.01 -1.26 -0.17 121.20 123.67 3kr5 s ILE 444 Ca 0.62 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.85 3kr5 s ILE 444 Cb -0.58 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3kr5 s ILE 444 CO 0.58 0.44 -0.16 0.27 0.00 0.00 0.00 174.94 176.08 3kr5 s ILE 445 N 1.22 1.95 -0.20 2.92 -4.36 -0.04 -4.91 121.20 117.79 3kr5 s ILE 445 Ca 0.03 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 3kr5 s ILE 445 Cb -0.14 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.44 3kr5 s ILE 445 CO -0.02 -0.52 -0.16 -0.89 0.24 0.00 0.00 174.94 173.59 3kr5 s THR 446 N -2.84 2.35 0.80 8.37 2.01 -1.26 0.56 115.64 125.63 3kr5 s THR 446 Ca 0.25 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3kr5 s THR 446 Cb -0.02 -2.04 0.07 0.00 0.01 0.00 0.00 72.50 70.52 3kr5 s THR 446 CO 0.09 0.46 1.09 0.00 -0.69 0.00 0.00 174.62 175.58 3kr5 s ALA 447 N 1.31 2.08 -0.45 7.40 0.00 0.43 -2.07 121.76 130.47 3kr5 s ALA 447 Ca 0.04 0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.31 3kr5 s ALA 447 Cb -0.14 -3.23 0.91 0.00 0.00 0.00 0.00 23.12 20.66 3kr5 s ALA 447 CO -0.10 -1.90 1.56 -1.13 0.00 0.00 0.00 175.76 174.19 3kr5 n SER 448 N -3.59 0.47 -1.03 0.00 3.41 -0.81 -0.45 113.62 111.61 3kr5 n SER 448 Ca 0.08 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 3kr5 n SER 448 Cb 0.54 -0.76 0.24 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.09 2.99 0.00 4.04 6.94 -1.26 -4.93 115.26 120.95 3kr5 n ASN 449 Ca 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 3kr5 n ASN 449 Cb 0.09 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 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 1.33 2.28 3.72 4.83 0.00 0.41 -5.03 105.19 112.72 3kr5 n GLY 450 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.38 4.26 -0.03 1.61 1.02 -1.26 -4.73 119.74 120.23 3kr5 s LYS 451 Ca 0.00 2.26 -0.19 0.00 0.02 0.00 0.00 55.97 58.06 3kr5 s LYS 451 Cb 0.00 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3kr5 s LYS 451 CO 0.00 -0.52 0.54 0.95 -0.92 0.00 0.00 175.35 175.40 3kr5 s THR 452 N 0.94 4.98 -0.11 2.17 -4.23 -1.26 -0.43 115.64 117.70 3kr5 s THR 452 Ca 0.66 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 62.33 3kr5 s THR 452 Cb -0.41 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.56 3kr5 s THR 452 CO 0.33 0.43 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.97 3kr5 s ILE 453 N -0.18 2.12 -0.24 2.99 1.01 0.19 -1.15 121.20 125.95 3kr5 s ILE 453 Ca 0.29 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 3kr5 s ILE 453 Cb -0.17 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3kr5 s ILE 453 CO 0.15 0.56 0.62 -0.70 0.00 0.00 0.00 174.94 175.57 3kr5 s GLU 454 N 0.42 4.14 -0.44 2.79 2.12 0.10 -0.86 118.70 126.98 3kr5 s GLU 454 Ca -0.17 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 3kr5 s GLU 454 Cb -0.17 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.61 3kr5 s GLU 454 CO 0.07 -0.35 1.19 0.08 -0.54 0.00 0.00 175.26 175.71 3kr5 s VAL 455 N 2.28 4.18 -0.15 3.70 1.01 0.76 -1.58 120.40 130.61 3kr5 s VAL 455 Ca 0.27 1.24 0.16 0.00 0.00 0.00 0.00 61.98 63.65 3kr5 s VAL 455 Cb -0.16 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 3kr5 s VAL 455 CO 0.09 -0.87 1.10 1.23 0.00 0.00 0.00 175.10 176.65 3kr5 h GLY 456 N 11.24 0.00 -5.38 4.51 0.00 -1.91 0.59 103.07 112.12 3kr5 h GLY 456 Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.18 3kr5 h GLY 456 CO 1.10 0.00 -0.16 0.21 0.00 0.00 0.00 176.54 177.70 3kr5 s ASN 457 N -6.03 -1.20 0.20 0.19 3.84 -1.26 -4.72 114.94 105.96 3kr5 s ASN 457 Ca 0.00 1.28 0.17 0.00 0.21 0.00 0.00 52.86 54.52 3kr5 s ASN 457 Cb 0.08 2.22 0.81 0.00 -0.55 0.00 0.00 41.25 43.81 3kr5 s ASN 457 CO 0.78 -0.23 1.51 0.35 -2.79 0.00 0.00 177.10 176.72 3kr5 n THR 458 N 5.42 1.19 1.00 -5.21 -2.24 -1.26 -0.78 114.28 112.40 3kr5 n THR 458 Ca -0.08 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 3kr5 n THR 458 Cb 0.50 -1.45 0.50 0.00 -2.10 0.00 0.00 70.33 67.78 3kr5 n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr5 n ASP 459 N -2.00 0.16 -3.28 3.42 2.03 -0.85 -3.67 116.55 112.36 3kr5 n ASP 459 Ca 0.00 0.25 -0.39 0.00 0.52 0.00 0.00 54.79 55.18 3kr5 n ASP 459 Cb 0.09 -0.25 0.01 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.50 6.41 0.07 -1.67 0.00 0.04 -4.60 120.51 119.26 3kr5 n ALA 460 Ca 0.07 -4.16 0.01 0.00 0.00 0.00 0.00 53.44 49.35 3kr5 n ALA 460 Cb 0.34 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 3kr5 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr5 h GLU 461 N 3.87 0.00 -0.09 0.00 9.09 -1.78 -3.37 114.58 122.30 3kr5 h GLU 461 Ca 0.57 0.00 0.04 0.00 0.05 0.00 0.00 59.36 60.01 3kr5 h GLU 461 Cb 0.31 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.34 3kr5 h GLU 461 CO 1.27 0.39 -0.41 0.78 0.05 0.00 0.00 179.01 181.08 3kr5 h GLY 462 N 3.61 -0.71 2.00 1.06 0.00 -1.92 -1.83 103.07 105.28 3kr5 h GLY 462 Ca -0.10 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3kr5 h GLY 462 CO 0.06 -0.23 -0.06 0.07 0.00 0.00 0.00 176.54 176.37 3kr5 h ARG 463 N -0.51 0.00 -0.11 4.80 0.11 -1.94 0.10 114.38 116.83 3kr5 h ARG 463 Ca 0.07 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 3kr5 h ARG 463 Cb 0.63 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 3kr5 h ARG 463 CO -0.37 0.06 -0.07 -0.07 0.10 0.00 0.00 179.97 179.63 3kr5 h LEU 464 N 0.00 0.25 -0.60 0.08 3.38 -1.54 -0.38 115.31 116.50 3kr5 h LEU 464 Ca -0.00 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 3kr5 h LEU 464 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kr5 h LEU 464 CO 0.01 0.63 -0.28 0.71 0.09 0.00 0.00 178.44 179.60 3kr5 h THR 465 N -0.12 1.28 -0.19 0.22 1.35 -0.23 -2.91 112.91 112.30 3kr5 h THR 465 Ca 0.02 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.34 3kr5 h THR 465 Cb 0.54 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3kr5 h THR 465 CO 0.02 0.47 -0.39 -0.07 -0.25 0.00 0.00 175.52 175.31 3kr5 h LEU 466 N 0.69 0.46 -0.23 3.87 3.38 -0.87 -1.91 115.31 120.69 3kr5 h LEU 466 Ca 0.08 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 466 Cb 0.82 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3kr5 h LEU 466 CO 0.07 0.80 -0.13 0.00 0.09 0.00 0.00 178.44 179.27 3kr5 h ALA 467 N 1.22 0.05 -0.10 1.53 0.00 -0.86 0.84 119.26 121.94 3kr5 h ALA 467 Ca 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3kr5 h ALA 467 Cb 0.84 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kr5 h ALA 467 CO 0.07 -0.55 -0.41 -0.44 0.00 0.00 0.00 179.25 177.92 3kr5 h ASP 468 N -0.12 0.23 0.14 0.00 3.32 -1.47 -1.40 116.42 117.12 3kr5 h ASP 468 Ca 0.13 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3kr5 h ASP 468 Cb 0.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kr5 h ASP 468 CO -0.30 0.61 -0.48 0.00 -1.72 0.00 0.00 179.24 177.35 3kr5 h ALA 469 N 1.40 0.89 -0.26 3.45 0.00 -0.41 -1.78 119.26 122.55 3kr5 h ALA 469 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3kr5 h ALA 469 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kr5 h ALA 469 CO 0.06 0.66 -0.55 -0.07 0.00 0.00 0.00 179.25 179.35 3kr5 h LEU 470 N 0.32 0.93 -0.92 0.00 3.38 0.12 0.15 115.31 119.28 3kr5 h LEU 470 Ca 0.02 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 3kr5 h LEU 470 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kr5 h LEU 470 CO 0.08 1.31 -0.20 -0.37 0.09 0.00 0.00 178.44 179.35 3kr5 h VAL 471 N 0.59 1.26 0.10 1.22 -1.51 -1.16 -0.82 116.25 115.92 3kr5 h VAL 471 Ca 0.00 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.27 3kr5 h VAL 471 Cb 1.16 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3kr5 h VAL 471 CO 0.12 0.39 -0.05 0.22 -1.23 0.00 0.00 177.57 177.03 3kr5 h TYR 472 N 0.51 -0.12 -0.39 5.19 3.20 -1.16 -1.83 116.97 122.36 3kr5 h TYR 472 Ca 0.08 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3kr5 h TYR 472 Cb 0.62 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 3kr5 h TYR 472 CO 0.02 -0.06 0.12 0.00 -1.64 0.00 0.00 178.16 176.60 3kr5 h ALA 473 N 0.76 0.45 -0.23 1.82 0.00 -0.54 -1.92 119.26 119.60 3kr5 h ALA 473 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kr5 h ALA 473 Cb 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kr5 h ALA 473 CO 0.02 -0.27 -0.22 1.49 0.00 0.00 0.00 179.25 180.27 3kr5 h GLU 474 N 0.27 0.43 0.00 0.00 4.81 -1.07 -0.96 114.58 118.06 3kr5 h GLU 474 Ca 0.18 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kr5 h GLU 474 Cb 0.18 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3kr5 h GLU 474 CO -0.20 0.63 -0.00 0.87 -0.73 0.00 0.00 179.01 179.57 3kr5 h LYS 475 N 0.39 0.00 0.00 1.92 1.57 -0.53 -1.45 116.57 118.47 3kr5 h LYS 475 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kr5 h LYS 475 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kr5 h LYS 475 CO 0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 3kr5 n LEU 476 N -3.37 0.61 -2.48 2.94 4.77 -0.36 -4.93 117.00 114.19 3kr5 n LEU 476 Ca -0.03 0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 3kr5 n LEU 476 Cb 0.08 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3kr5 n LEU 476 CO 0.23 -0.40 0.05 0.61 -1.33 0.00 0.00 177.39 176.55 3kr5 n GLY 477 N 0.44 -0.14 3.96 -0.72 0.00 -0.55 -5.04 105.19 103.14 3kr5 n GLY 477 Ca 0.03 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.22 4.04 0.01 1.61 -7.23 -1.26 -4.95 120.40 109.40 3kr5 s VAL 478 Ca 0.11 -0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 59.61 3kr5 s VAL 478 Cb -0.01 -3.48 -0.31 0.00 0.56 0.00 0.00 36.38 33.14 3kr5 s VAL 478 CO 0.44 -0.31 0.90 0.44 -0.31 0.00 0.00 175.10 176.25 3kr5 h ASP 479 N 0.49 0.57 -3.98 4.85 3.32 -0.51 -3.47 116.42 117.69 3kr5 h ASP 479 Ca -0.46 -0.72 -0.44 0.00 0.02 0.00 0.00 57.03 55.43 3kr5 h ASP 479 Cb 1.25 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 40.32 3kr5 h ASP 479 CO 0.57 1.58 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.57 3kr5 s TYR 480 N -2.61 1.03 -0.20 4.55 2.02 -0.99 -3.84 117.35 117.31 3kr5 s TYR 480 Ca -0.10 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3kr5 s TYR 480 Cb 0.06 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 3kr5 s TYR 480 CO 0.88 -0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 175.10 3kr5 s ILE 481 N -0.07 2.58 -0.21 2.71 1.01 -0.47 -0.12 121.20 126.63 3kr5 s ILE 481 Ca 0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3kr5 s ILE 481 Cb -0.06 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.26 3kr5 s ILE 481 CO 0.00 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 174.55 3kr5 s VAL 482 N 1.35 2.44 0.04 2.92 1.01 -0.33 -1.03 120.40 126.80 3kr5 s VAL 482 Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3kr5 s VAL 482 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kr5 s VAL 482 CO -0.09 0.41 0.20 1.51 0.00 0.00 0.00 175.10 177.13 3kr5 s ASP 483 N 1.31 6.34 -0.03 3.32 1.47 -0.43 -0.19 116.67 128.45 3kr5 s ASP 483 Ca 0.03 0.29 0.01 0.00 1.18 0.00 0.00 52.55 54.06 3kr5 s ASP 483 Cb -0.15 -1.96 0.02 0.00 -0.34 0.00 0.00 42.92 40.49 3kr5 s ASP 483 CO -0.09 0.20 -0.03 -0.51 0.68 0.00 0.00 175.17 175.42 3kr5 s ILE 484 N -1.45 0.36 -0.12 2.11 2.07 0.14 -0.11 121.20 124.20 3kr5 s ILE 484 Ca 0.32 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.30 3kr5 s ILE 484 Cb -0.13 -0.40 0.05 0.00 0.13 0.00 0.00 42.46 42.11 3kr5 s ILE 484 CO 0.25 0.17 0.54 0.00 -1.91 0.00 0.00 174.94 174.00 3kr5 s ALA 485 N 0.82 -1.38 -1.30 1.50 0.00 -0.12 -1.30 121.76 119.98 3kr5 s ALA 485 Ca -0.10 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3kr5 s ALA 485 Cb -0.13 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.68 3kr5 s ALA 485 CO -0.01 -0.30 1.77 0.25 0.00 0.00 0.00 175.76 177.47 3kr5 n THR 486 N 1.86 3.98 -0.06 0.00 -2.24 -1.26 0.29 114.28 116.85 3kr5 n THR 486 Ca -0.17 -4.10 -0.22 0.00 -2.27 0.00 0.00 64.05 57.29 3kr5 n THR 486 Cb 0.56 -2.43 -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 6.83 2.30 -3.78 3.22 7.94 -1.26 -4.74 117.00 127.51 3kr5 n LEU 487 Ca 0.46 0.28 -0.19 0.00 -1.11 0.00 0.00 56.01 55.45 3kr5 n LEU 487 Cb 0.43 -1.02 -0.17 0.00 0.53 0.00 0.00 43.42 43.19 3kr5 n LEU 487 CO 0.76 0.61 -0.37 0.42 -1.11 0.00 0.00 177.39 177.70 3kr5 s THR 488 N -2.47 0.17 0.55 1.96 -4.23 -1.26 -4.93 115.64 105.42 3kr5 s THR 488 Ca -0.27 0.15 0.30 0.00 -1.18 0.00 0.00 61.69 60.69 3kr5 s THR 488 Cb 0.07 -0.30 0.34 0.00 1.34 0.00 0.00 72.50 73.95 3kr5 s THR 488 CO 0.67 0.17 2.22 1.23 -0.54 0.00 0.00 174.62 178.37 3kr5 h GLY 489 N 7.66 0.00 0.98 3.99 0.00 -1.93 -1.44 103.07 112.33 3kr5 h GLY 489 Ca -0.33 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.07 3kr5 h GLY 489 CO 0.38 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.36 3kr5 h ALA 490 N 1.97 1.78 -0.78 3.60 0.00 -1.95 -1.28 119.26 122.60 3kr5 h ALA 490 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kr5 h ALA 490 Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3kr5 h ALA 490 CO 0.00 -0.56 0.51 0.52 0.00 0.00 0.00 179.25 179.72 3kr5 h MET 491 N 0.00 0.74 -0.03 0.00 2.86 -1.64 0.35 114.93 117.20 3kr5 h MET 491 Ca 0.11 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3kr5 h MET 491 Cb 1.00 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 3kr5 h MET 491 CO -0.00 0.49 0.00 -0.07 1.06 0.00 0.00 176.91 178.39 3kr5 h LEU 492 N 0.76 0.04 0.00 1.22 3.38 -1.44 0.52 115.31 119.79 3kr5 h LEU 492 Ca 0.35 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 3kr5 h LEU 492 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kr5 h LEU 492 CO -0.13 0.04 -1.34 1.88 0.09 0.00 0.00 178.44 178.98 3kr5 h TYR 493 N 0.04 0.00 0.00 1.13 -1.99 -0.55 -3.21 116.97 112.39 3kr5 h TYR 493 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3kr5 h TYR 493 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3kr5 h TYR 493 CO 0.00 0.50 -0.28 0.66 -0.00 0.00 0.00 178.16 179.04 3kr5 h SER 494 N 0.00 0.00 0.00 3.88 4.64 -0.41 -3.44 113.55 118.22 3kr5 h SER 494 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3kr5 h SER 494 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3kr5 h SER 494 CO 0.04 0.42 -1.53 0.18 -0.87 0.00 0.00 176.83 175.07 3kr5 n LEU 495 N -3.59 0.20 0.00 5.97 4.77 0.06 -5.09 117.00 119.32 3kr5 n LEU 495 Ca -0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3kr5 n LEU 495 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kr5 n LEU 495 CO 0.06 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3kr5 n GLY 496 N 1.49 -0.20 0.54 -0.72 0.00 -0.54 -4.27 105.19 101.50 3kr5 n GLY 496 Ca -0.02 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.08 2.61 -2.24 -1.25 -4.10 114.28 109.22 3kr5 n THR 497 Ca 0.00 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3kr5 n THR 497 Cb 0.00 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.14 2.14 -4.36 3.42 7.64 -1.26 -4.28 113.62 117.06 3kr5 n SER 498 Ca 0.11 -0.05 -0.34 0.00 1.01 0.00 0.00 58.87 59.60 3kr5 n SER 498 Cb 0.47 0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.35 2.91 0.66 1.43 4.12 -1.26 -4.41 117.35 118.45 3kr5 s TYR 499 Ca -0.16 -0.73 -0.11 0.00 0.02 0.00 0.00 57.07 56.08 3kr5 s TYR 499 Cb 0.05 -1.98 -0.01 0.00 -1.52 0.00 0.00 41.96 38.50 3kr5 s TYR 499 CO 0.48 -0.34 1.05 0.00 0.02 0.00 0.00 175.55 176.76 3kr5 s ALA 500 N 0.87 2.85 -0.09 3.71 0.00 -0.43 -4.63 121.76 124.04 3kr5 s ALA 500 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 3kr5 s ALA 500 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3kr5 s ALA 500 CO 0.01 -0.98 0.11 0.20 0.00 0.00 0.00 175.76 175.10 3kr5 s GLY 501 N -3.87 2.09 -0.09 0.00 0.00 -0.95 -0.14 107.32 104.35 3kr5 s GLY 501 Ca 0.57 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.63 3kr5 s GLY 501 CO 0.53 -0.48 -0.22 0.54 0.00 0.00 0.00 173.10 173.47 3kr5 s VAL 502 N -1.04 2.22 0.27 1.40 0.11 0.13 -0.08 120.40 123.41 3kr5 s VAL 502 Ca 0.17 -0.97 0.10 0.00 -2.93 0.00 0.00 61.98 58.34 3kr5 s VAL 502 Cb -0.12 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 3kr5 s VAL 502 CO 0.06 0.56 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.86 3kr5 s PHE 503 N 0.18 2.16 -0.07 1.54 0.08 0.55 -0.75 117.98 121.67 3kr5 s PHE 503 Ca -0.13 -0.43 -0.32 0.00 0.12 0.00 0.00 56.93 56.17 3kr5 s PHE 503 Cb -0.16 -1.01 0.13 0.00 -0.57 0.00 0.00 43.02 41.41 3kr5 s PHE 503 CO 0.07 0.59 1.38 0.20 -0.10 0.00 0.00 175.22 177.36 3kr5 s GLY 504 N -3.48 -0.43 0.00 4.36 0.00 -1.26 0.76 107.32 107.27 3kr5 s GLY 504 Ca 0.29 0.76 0.20 0.00 0.00 0.00 0.00 44.72 45.96 3kr5 s GLY 504 CO 0.13 1.10 1.34 1.16 0.00 0.00 0.00 173.10 176.83 3kr5 n ASN 505 N -0.58 3.31 -3.68 1.64 0.23 -0.04 -4.79 115.26 111.35 3kr5 n ASN 505 Ca -0.07 -1.94 -0.16 0.00 -0.53 0.00 0.00 54.58 51.88 3kr5 n ASN 505 Cb 0.63 -0.25 -0.15 0.00 -2.08 0.00 0.00 39.78 37.92 3kr5 n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 506 N -1.29 0.54 0.12 0.53 3.84 -1.26 -4.87 114.94 112.55 3kr5 s ASN 506 Ca 0.35 0.38 -0.14 0.00 0.21 0.00 0.00 52.86 53.66 3kr5 s ASN 506 Cb 0.20 0.34 -0.03 0.00 -0.55 0.00 0.00 41.25 41.22 3kr5 s ASN 506 CO 0.28 -0.23 1.53 -0.08 -2.79 0.00 0.00 177.10 175.81 3kr5 h GLU 507 N 8.17 0.75 -0.65 0.43 4.81 -1.96 -1.48 114.58 124.65 3kr5 h GLU 507 Ca -0.18 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3kr5 h GLU 507 Cb 1.12 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3kr5 h GLU 507 CO 0.18 0.88 0.38 1.49 -0.73 0.00 0.00 179.01 181.22 3kr5 h GLU 508 N 0.56 0.70 -0.38 1.92 4.81 -1.99 0.15 114.58 120.35 3kr5 h GLU 508 Ca 0.10 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3kr5 h GLU 508 Cb 0.60 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3kr5 h GLU 508 CO 0.04 0.46 0.04 1.25 -0.73 0.00 0.00 179.01 180.07 3kr5 h LEU 509 N 0.72 0.63 -0.23 1.64 5.85 -1.94 -0.73 115.31 121.26 3kr5 h LEU 509 Ca 0.28 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kr5 h LEU 509 Cb 0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3kr5 h LEU 509 CO -0.15 0.74 0.02 0.40 -0.34 0.00 0.00 178.44 179.12 3kr5 h ILE 510 N 0.48 0.87 -0.90 4.05 2.04 -0.75 -1.03 117.51 122.27 3kr5 h ILE 510 Ca 0.11 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3kr5 h ILE 510 Cb 0.40 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3kr5 h ILE 510 CO 0.01 0.02 0.59 0.78 0.00 0.00 0.00 178.15 179.55 3kr5 h ASN 511 N 0.10 0.89 -0.28 1.72 2.35 -0.45 0.92 115.58 120.83 3kr5 h ASN 511 Ca 0.10 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3kr5 h ASN 511 Cb 0.12 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kr5 h ASN 511 CO -0.16 0.56 0.12 0.11 -1.65 0.00 0.00 177.43 176.41 3kr5 h LYS 512 N 1.00 0.42 -0.52 0.81 1.57 -0.41 0.28 116.57 119.72 3kr5 h LYS 512 Ca 0.39 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 3kr5 h LYS 512 Cb 0.24 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3kr5 h LYS 512 CO -0.15 0.44 0.24 0.82 -0.57 0.00 0.00 179.45 180.22 3kr5 h ILE 513 N 0.31 0.90 -0.65 1.86 1.08 -0.27 0.23 117.51 120.97 3kr5 h ILE 513 Ca 0.10 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3kr5 h ILE 513 Cb 0.17 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 3kr5 h ILE 513 CO -0.01 0.08 0.24 -0.07 -0.69 0.00 0.00 178.15 177.70 3kr5 h LEU 514 N 0.45 0.89 -0.90 1.44 3.38 -0.35 0.40 115.31 120.63 3kr5 h LEU 514 Ca 0.24 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3kr5 h LEU 514 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kr5 h LEU 514 CO -0.20 0.81 -0.18 -0.61 0.09 0.00 0.00 178.44 178.35 3kr5 h GLN 515 N 0.95 0.61 0.00 1.13 5.75 0.40 -0.81 115.11 123.13 3kr5 h GLN 515 Ca 0.22 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 3kr5 h GLN 515 Cb 0.21 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3kr5 h GLN 515 CO -0.02 0.76 -0.48 0.77 -2.65 0.00 0.00 178.83 177.21 3kr5 h SER 516 N 0.54 0.00 -0.14 -0.69 0.02 0.52 -1.10 113.55 112.70 3kr5 h SER 516 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3kr5 h SER 516 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3kr5 h SER 516 CO 0.04 0.48 0.02 -1.28 -1.14 0.00 0.00 176.83 174.96 3kr5 h SER 517 N 0.00 0.22 -0.24 3.07 0.87 0.45 -0.87 113.55 117.05 3kr5 h SER 517 Ca -0.00 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.32 3kr5 h SER 517 Cb 0.94 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 3kr5 h SER 517 CO 0.06 0.42 0.11 0.50 -0.53 0.00 0.00 176.83 177.40 3kr5 h LYS 518 N 0.01 0.24 0.00 2.24 3.64 -0.69 0.65 116.57 122.66 3kr5 h LYS 518 Ca 0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3kr5 h LYS 518 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kr5 h LYS 518 CO 0.00 0.16 -0.39 1.79 -2.27 0.00 0.00 179.45 178.74 3kr5 h THR 519 N 0.24 0.69 0.00 1.00 1.35 -1.18 -3.10 112.91 111.92 3kr5 h THR 519 Ca 0.10 -1.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3kr5 h THR 519 Cb 0.03 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3kr5 h THR 519 CO -0.07 0.38 -1.13 -1.54 -0.25 0.00 0.00 175.52 172.90 3kr5 n SER 520 N -3.23 0.74 -1.46 5.36 3.41 -0.34 -4.92 113.62 113.18 3kr5 n SER 520 Ca 0.02 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3kr5 n SER 520 Cb 0.67 0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3kr5 n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kr5 n ASN 521 N -2.63 -4.19 -4.23 4.04 3.02 0.21 -4.83 115.26 106.65 3kr5 n ASN 521 Ca -0.01 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 3kr5 n ASN 521 Cb 0.56 -3.32 -0.09 0.00 -0.61 0.00 0.00 39.78 36.32 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 -4.49 2.51 0.20 3.52 2.02 -1.16 -4.97 118.70 116.33 3kr5 s GLU 522 Ca 0.00 -1.70 -0.31 0.00 0.02 0.00 0.00 54.97 52.98 3kr5 s GLU 522 Cb 0.00 -3.90 -0.10 0.00 0.10 0.00 0.00 34.13 30.23 3kr5 s GLU 522 CO 0.00 -1.14 1.48 -2.14 0.02 0.00 0.00 175.26 173.48 3kr5 s PRO 523 N 1.38 4.25 0.03 0.39 0.02 -1.26 -4.58 135.00 135.23 3kr5 s PRO 523 Ca 0.05 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.40 3kr5 s PRO 523 Cb -0.26 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 3kr5 s PRO 523 CO -0.00 -0.49 -0.07 0.08 -0.33 0.00 0.00 177.00 176.18 3kr5 s VAL 524 N 0.53 0.53 0.02 3.83 1.01 -1.26 -1.32 120.40 123.74 3kr5 s VAL 524 Ca 0.64 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3kr5 s VAL 524 Cb -0.42 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3kr5 s VAL 524 CO 0.37 -0.23 -0.15 0.86 0.00 0.00 0.00 175.10 175.95 3kr5 s TRP 525 N -1.02 1.33 -0.26 5.22 -0.11 0.80 -4.89 118.94 120.01 3kr5 s TRP 525 Ca -0.06 -0.32 -0.25 0.00 1.22 0.00 0.00 56.10 56.69 3kr5 s TRP 525 Cb -0.08 -0.81 -0.00 0.00 -1.50 0.00 0.00 33.47 31.08 3kr5 s TRP 525 CO 0.00 0.03 0.84 -0.46 -4.62 0.00 0.00 176.95 172.74 3kr5 s TRP 526 N -0.68 3.28 0.09 5.86 -0.00 -1.26 0.18 118.94 126.40 3kr5 s TRP 526 Ca 0.04 1.08 0.07 0.00 -0.00 0.00 0.00 56.10 57.28 3kr5 s TRP 526 Cb -0.07 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.24 3kr5 s TRP 526 CO 0.01 -0.45 -0.11 -0.51 -0.00 0.00 0.00 176.95 175.89 3kr5 s LEU 527 N 2.92 3.01 0.29 5.86 1.43 0.07 -4.91 118.68 127.34 3kr5 s LEU 527 Ca 0.35 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 3kr5 s LEU 527 Cb -0.15 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 3kr5 s LEU 527 CO 0.09 0.20 0.77 -2.16 0.23 0.00 0.00 176.35 175.47 3kr5 s PRO 528 N -2.06 4.18 -0.50 1.29 0.04 -1.26 -4.27 135.00 132.41 3kr5 s PRO 528 Ca 0.20 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 3kr5 s PRO 528 Cb -0.11 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.86 3kr5 s PRO 528 CO 0.12 0.25 0.58 0.42 0.04 0.00 0.00 177.00 178.41 3kr5 s ILE 529 N -1.78 4.96 -0.48 0.56 1.01 -1.26 -4.81 121.20 119.40 3kr5 s ILE 529 Ca 0.50 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 3kr5 s ILE 529 Cb -0.14 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.10 3kr5 s ILE 529 CO 0.19 -0.77 0.85 -0.63 0.00 0.00 0.00 174.94 174.58 3kr5 s ILE 530 N 2.40 4.56 0.41 2.92 1.01 -1.26 -4.91 121.20 126.33 3kr5 s ILE 530 Ca 0.12 0.42 0.18 0.00 0.00 0.00 0.00 60.65 61.38 3kr5 s ILE 530 Cb -0.21 -4.40 0.20 0.00 0.01 0.00 0.00 42.46 38.06 3kr5 s ILE 530 CO 0.10 -0.84 1.98 0.78 0.00 0.00 0.00 174.94 176.95 3kr5 h ASN 531 N 9.08 0.00 -0.92 3.58 2.35 -1.99 -2.41 115.58 125.27 3kr5 h ASN 531 Ca -0.25 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 55.76 3kr5 h ASN 531 Cb 1.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 3kr5 h ASN 531 CO 1.01 0.21 0.65 -0.08 -1.65 0.00 0.00 177.43 177.56 3kr5 h GLU 532 N 0.00 0.07 0.00 0.81 4.81 -2.04 0.25 114.58 118.48 3kr5 h GLU 532 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kr5 h GLU 532 Cb 0.41 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3kr5 h GLU 532 CO 0.03 0.05 -0.03 0.66 -0.73 0.00 0.00 179.01 178.98 3kr5 n TYR 533 N -4.31 0.62 -0.31 0.92 0.53 -0.91 -3.99 117.16 109.71 3kr5 n TYR 533 Ca 0.19 0.18 0.13 0.00 -1.02 0.00 0.00 57.90 57.38 3kr5 n TYR 533 Cb 0.94 -0.79 0.30 0.00 -1.03 0.00 0.00 39.34 38.77 3kr5 n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kr5 h ARG 534 N 0.00 0.49 -0.19 -0.72 9.65 -0.64 -1.40 114.38 121.57 3kr5 h ARG 534 Ca 0.00 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.91 3kr5 h ARG 534 Cb 0.66 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3kr5 h ARG 534 CO 0.00 0.33 0.15 0.00 2.80 0.00 0.00 179.97 183.24 3kr5 h ALA 535 N 1.68 2.10 0.00 2.80 0.00 -1.76 0.20 119.26 124.28 3kr5 h ALA 535 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3kr5 h ALA 535 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kr5 h ALA 535 CO -0.47 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 178.79 3kr5 n THR 536 N -4.35 0.09 0.65 0.00 -2.24 -0.53 -1.46 114.28 106.44 3kr5 n THR 536 Ca 0.02 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 3kr5 n THR 536 Cb 0.28 -0.65 0.16 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.08 3.24 -4.58 3.22 4.77 0.06 -4.12 117.00 118.51 3kr5 n LEU 537 Ca 0.16 -1.25 -0.41 0.00 -0.03 0.00 0.00 56.01 54.48 3kr5 n LEU 537 Cb 0.11 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3kr5 n LEU 537 CO 0.14 0.63 1.46 0.20 -1.33 0.00 0.00 177.39 178.49 3kr5 s ASN 538 N -1.74 5.79 0.44 -1.43 0.01 -0.54 0.73 114.94 118.19 3kr5 s ASN 538 Ca 0.34 0.67 -0.21 0.00 -0.71 0.00 0.00 52.86 52.95 3kr5 s ASN 538 Cb 0.22 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 3kr5 s ASN 538 CO 0.31 -1.90 0.98 -0.55 -1.51 0.00 0.00 177.10 174.43 3kr5 s SER 539 N 6.12 6.78 0.23 -1.22 0.15 -1.26 -4.81 113.70 119.68 3kr5 s SER 539 Ca 0.67 1.80 0.08 0.00 0.70 0.00 0.00 55.95 59.20 3kr5 s SER 539 Cb -0.15 -2.55 0.19 0.00 -1.71 0.00 0.00 66.02 61.79 3kr5 s SER 539 CO 0.27 -0.47 1.51 0.50 1.20 0.00 0.00 173.24 176.25 3kr5 h LYS 540 N 1.95 0.04 0.00 5.44 1.63 -1.96 -3.40 116.57 120.27 3kr5 h LYS 540 Ca -0.49 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.17 3kr5 h LYS 540 Cb 1.20 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 3kr5 h LYS 540 CO 0.61 0.75 -1.38 0.66 -3.45 0.00 0.00 179.45 176.63 3kr5 n TYR 541 N -3.70 0.00 -2.44 1.91 4.01 -1.26 -5.04 117.16 110.63 3kr5 n TYR 541 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 3kr5 n TYR 541 Cb 0.71 -0.26 0.11 0.00 -0.31 0.00 0.00 39.34 39.59 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 -2.13 3.42 0.27 -0.72 0.00 -1.26 -4.99 121.76 116.34 3kr5 s ALA 542 Ca -0.09 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.34 3kr5 s ALA 542 Cb 0.03 -2.19 0.37 0.00 0.00 0.00 0.00 23.12 21.32 3kr5 s ALA 542 CO 0.15 -1.57 1.68 -0.44 0.00 0.00 0.00 175.76 175.58 3kr5 h ASP 543 N -0.69 0.47 -4.69 0.00 3.32 -1.45 -3.38 116.42 110.00 3kr5 h ASP 543 Ca -0.39 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 3kr5 h ASP 543 Cb 1.27 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 3kr5 h ASP 543 CO 0.42 0.77 0.02 -0.51 -1.72 0.00 0.00 179.24 178.21 3kr5 s ILE 544 N -4.36 0.01 0.29 0.35 2.07 -0.68 -4.40 121.20 114.47 3kr5 s ILE 544 Ca -0.07 -0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 58.85 3kr5 s ILE 544 Cb 0.13 -0.86 -0.09 0.00 0.13 0.00 0.00 42.46 41.78 3kr5 s ILE 544 CO 0.80 -0.06 0.81 0.20 -1.91 0.00 0.00 174.94 174.77 3kr5 s ASN 545 N -0.78 7.07 0.07 4.50 0.01 0.22 -0.72 114.94 125.30 3kr5 s ASN 545 Ca -0.08 1.54 -0.15 0.00 -0.71 0.00 0.00 52.86 53.45 3kr5 s ASN 545 Cb -0.02 -2.47 -0.23 0.00 0.41 0.00 0.00 41.25 38.94 3kr5 s ASN 545 CO 0.06 -0.08 1.18 -0.61 -1.51 0.00 0.00 177.10 176.14 3kr5 h GLN 546 N 2.97 0.68 -5.90 -0.60 4.15 -1.60 -3.46 115.11 111.34 3kr5 h GLN 546 Ca -0.48 -0.72 -0.52 0.00 0.77 0.00 0.00 58.65 57.70 3kr5 h GLN 546 Cb 1.19 0.20 -0.16 0.00 0.21 0.00 0.00 27.48 28.92 3kr5 h GLN 546 CO 0.65 1.30 -0.76 0.96 -1.93 0.00 0.00 178.83 179.05 3kr5 s ILE 547 N -3.33 1.97 0.55 2.39 -4.36 -1.26 -4.90 121.20 112.27 3kr5 s ILE 547 Ca -0.10 -2.15 -0.18 0.00 -0.26 0.00 0.00 60.65 57.96 3kr5 s ILE 547 Cb 0.07 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 3kr5 s ILE 547 CO 0.91 -0.43 1.08 -0.55 0.24 0.00 0.00 174.94 176.20 3kr5 s SER 548 N -3.10 5.83 -0.20 4.36 0.15 -1.26 -4.76 113.70 114.73 3kr5 s SER 548 Ca 0.22 1.99 -0.23 0.00 0.70 0.00 0.00 55.95 58.63 3kr5 s SER 548 Cb -0.04 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.51 3kr5 s SER 548 CO 0.09 -1.14 0.29 0.77 1.20 0.00 0.00 173.24 174.45 3kr5 h SER 549 N 0.96 0.00 0.00 5.45 4.64 -2.01 -3.44 113.55 119.15 3kr5 h SER 549 Ca -0.49 -0.58 -0.02 0.00 -0.47 0.00 0.00 61.79 60.24 3kr5 h SER 549 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kr5 h SER 549 CO 0.57 1.42 -0.16 0.77 -0.87 0.00 0.00 176.83 178.56 3kr5 h SER 550 N -1.00 0.00 -2.64 4.97 4.64 -1.94 -3.47 113.55 114.11 3kr5 h SER 550 Ca -0.30 -0.36 -0.55 0.00 -0.47 0.00 0.00 61.79 60.12 3kr5 h SER 550 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kr5 h SER 550 CO -0.18 0.77 1.06 -0.69 -0.87 0.00 0.00 176.83 176.91 3kr5 s VAL 551 N -1.91 3.52 -1.23 0.95 1.01 -1.26 -4.89 120.40 116.59 3kr5 s VAL 551 Ca -0.10 0.70 0.27 0.00 0.00 0.00 0.00 61.98 62.85 3kr5 s VAL 551 Cb -0.00 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 33.09 3kr5 s VAL 551 CO 0.29 -0.05 1.61 0.29 0.00 0.00 0.00 175.10 177.24 3kr5 n LYS 552 N 6.78 0.25 -1.68 2.72 5.02 -1.26 -4.47 118.16 125.52 3kr5 n LYS 552 Ca 0.17 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 3kr5 n LYS 552 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -1.27 5.28 0.17 7.82 0.00 -1.26 -4.75 120.51 126.50 3kr5 n ALA 553 Ca 0.08 -3.82 0.03 0.00 0.00 0.00 0.00 53.44 49.74 3kr5 n ALA 553 Cb 0.33 -3.55 0.29 0.00 0.00 0.00 0.00 19.45 16.52 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 6.23 0.00 -0.63 0.00 4.64 -1.98 -0.71 113.55 121.10 3kr5 h SER 554 Ca 0.55 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.84 3kr5 h SER 554 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 3kr5 h SER 554 CO 1.89 0.45 0.28 0.28 -0.87 0.00 0.00 176.83 178.85 3kr5 h SER 555 N 0.00 0.87 -0.11 4.97 0.02 -1.93 0.24 113.55 117.61 3kr5 h SER 555 Ca -0.00 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 3kr5 h SER 555 Cb 0.92 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3kr5 h SER 555 CO 0.06 0.76 -0.30 0.40 -1.14 0.00 0.00 176.83 176.62 3kr5 h ILE 556 N 0.94 1.39 -0.33 3.27 2.04 -1.68 -2.29 117.51 120.84 3kr5 h ILE 556 Ca 0.22 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 3kr5 h ILE 556 Cb 0.16 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3kr5 h ILE 556 CO -0.02 0.47 0.20 0.58 0.00 0.00 0.00 178.15 179.38 3kr5 h VAL 557 N -0.03 1.11 -0.70 1.67 2.07 -0.94 0.11 116.25 119.55 3kr5 h VAL 557 Ca -0.01 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3kr5 h VAL 557 Cb 0.91 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3kr5 h VAL 557 CO 0.06 0.11 0.37 0.00 0.02 0.00 0.00 177.57 178.14 3kr5 h ALA 558 N 1.08 0.95 -0.34 1.67 0.00 -0.57 0.65 119.26 122.70 3kr5 h ALA 558 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kr5 h ALA 558 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 558 CO -0.02 0.02 0.20 0.77 0.00 0.00 0.00 179.25 180.22 3kr5 h SER 559 N 0.66 0.41 -0.88 0.00 0.02 -0.66 0.24 113.55 113.35 3kr5 h SER 559 Ca 0.33 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 3kr5 h SER 559 Cb 0.27 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 3kr5 h SER 559 CO -0.22 0.35 0.52 -0.07 -1.14 0.00 0.00 176.83 176.27 3kr5 h LEU 560 N 0.44 0.75 -0.11 5.07 3.38 -0.08 0.18 115.31 124.94 3kr5 h LEU 560 Ca 0.12 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kr5 h LEU 560 Cb 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kr5 h LEU 560 CO -0.02 0.42 0.02 0.15 0.09 0.00 0.00 178.44 179.09 3kr5 h PHE 561 N 0.85 0.20 -0.69 1.13 3.04 -0.36 -3.02 116.94 118.10 3kr5 h PHE 561 Ca 0.43 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.39 3kr5 h PHE 561 Cb 0.39 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 3kr5 h PHE 561 CO -0.05 0.39 0.42 -0.07 -2.02 0.00 0.00 178.31 176.98 3kr5 h LEU 562 N -0.05 0.66 -1.94 0.59 3.38 -0.11 -2.45 115.31 115.40 3kr5 h LEU 562 Ca 0.03 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.22 3kr5 h LEU 562 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kr5 h LEU 562 CO 0.00 0.45 0.52 0.50 0.09 0.00 0.00 178.44 179.99 3kr5 h LYS 563 N 0.80 0.06 0.00 1.13 3.64 -0.55 0.16 116.57 121.81 3kr5 h LYS 563 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3kr5 h LYS 563 Cb 0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3kr5 h LYS 563 CO -0.14 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.47 3kr5 n GLU 564 N -4.35 0.02 -0.07 1.90 -0.58 -0.92 -1.96 120.64 114.67 3kr5 n GLU 564 Ca 0.14 0.33 0.03 0.00 -0.42 0.00 0.00 57.16 57.25 3kr5 n GLU 564 Cb 0.76 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.20 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 -1.47 0.19 -4.01 -0.32 3.01 0.57 -4.80 117.46 110.62 3kr5 n PHE 565 Ca 0.02 -0.39 -0.32 0.00 1.01 0.00 0.00 57.45 57.77 3kr5 n PHE 565 Cb 0.10 -0.03 -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 2.39 0.04 -4.37 1.01 -0.83 -3.81 120.40 113.94 3kr5 s VAL 566 Ca 0.11 -1.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3kr5 s VAL 566 Cb 0.06 -2.54 -0.19 0.00 0.00 0.00 0.00 36.38 33.72 3kr5 s VAL 566 CO 0.08 -0.27 1.21 1.56 0.00 0.00 0.00 175.10 177.69 3kr5 h GLN 567 N 7.77 0.50 -0.01 2.72 7.50 -1.87 -3.43 115.11 128.29 3kr5 h GLN 567 Ca -0.14 -0.42 -0.15 0.00 0.50 0.00 0.00 58.65 58.44 3kr5 h GLN 567 Cb 1.04 0.09 -0.20 0.00 0.05 0.00 0.00 27.48 28.46 3kr5 h GLN 567 CO 0.50 1.05 -0.48 -1.71 -1.50 0.00 0.00 178.83 176.70 3kr5 n ASN 568 N -4.24 -0.52 -4.14 1.46 5.15 -1.26 -5.10 115.26 106.61 3kr5 n ASN 568 Ca -0.08 -2.01 -0.23 0.00 -0.60 0.00 0.00 54.58 51.65 3kr5 n ASN 568 Cb 0.61 0.17 -0.15 0.00 -0.53 0.00 0.00 39.78 39.88 3kr5 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr5 s THR 569 N -0.07 1.23 0.00 -0.44 2.01 -1.26 -5.10 115.64 112.01 3kr5 s THR 569 Ca 0.09 -0.72 -0.35 0.00 0.31 0.00 0.00 61.69 61.02 3kr5 s THR 569 Cb 0.12 -1.04 -0.14 0.00 0.01 0.00 0.00 72.50 71.46 3kr5 s THR 569 CO -0.05 0.30 1.68 0.00 -0.69 0.00 0.00 174.62 175.87 3kr5 n ALA 570 N 2.58 0.69 -3.03 7.40 0.00 -1.25 -4.91 120.51 121.99 3kr5 n ALA 570 Ca -0.15 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 3kr5 n ALA 570 Cb 0.55 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 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 2.39 -0.16 0.06 0.00 -0.00 -1.26 -1.37 118.94 118.61 3kr5 s TRP 571 Ca 0.87 0.38 0.02 0.00 -0.00 0.00 0.00 56.10 57.37 3kr5 s TRP 571 Cb -0.76 0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 32.73 3kr5 s TRP 571 CO 0.48 -0.08 -0.08 0.00 -0.00 0.00 0.00 176.95 177.27 3kr5 s ALA 572 N 0.09 0.74 -0.06 5.86 0.00 -0.19 -0.86 121.76 127.33 3kr5 s ALA 572 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3kr5 s ALA 572 Cb -0.01 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3kr5 s ALA 572 CO 0.00 -0.09 -0.01 -1.58 0.00 0.00 0.00 175.76 174.08 3kr5 s HIS 573 N -2.20 0.67 -0.30 0.00 2.46 0.23 -1.32 115.29 114.84 3kr5 s HIS 573 Ca -0.02 -0.17 -0.07 0.00 0.47 0.00 0.00 55.06 55.27 3kr5 s HIS 573 Cb -0.04 -0.76 0.02 0.00 -0.13 0.00 0.00 32.58 31.67 3kr5 s HIS 573 CO -0.01 -0.29 0.08 0.42 -2.47 0.00 0.00 174.74 172.47 3kr5 s ILE 574 N 1.70 3.89 -0.50 0.89 1.01 0.84 -0.33 121.20 128.70 3kr5 s ILE 574 Ca 0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 3kr5 s ILE 574 Cb -0.13 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.34 3kr5 s ILE 574 CO -0.04 0.02 0.67 -0.62 0.00 0.00 0.00 174.94 174.97 3kr5 s ASP 575 N 1.47 6.26 -0.21 3.58 -1.08 0.88 -0.94 116.67 126.63 3kr5 s ASP 575 Ca 0.01 -0.70 0.15 0.00 -0.52 0.00 0.00 52.55 51.50 3kr5 s ASP 575 Cb -0.18 -2.32 0.71 0.00 -1.46 0.00 0.00 42.92 39.68 3kr5 s ASP 575 CO 0.02 -0.91 1.62 2.30 0.52 0.00 0.00 175.17 178.73 3kr5 n ILE 576 N 5.75 2.57 -0.28 4.11 -5.35 0.15 -2.24 119.36 124.06 3kr5 n ILE 576 Ca -0.04 -1.59 0.02 0.00 -0.27 0.00 0.00 62.75 60.87 3kr5 n ILE 576 Cb 0.46 -0.26 0.23 0.00 -1.74 0.00 0.00 39.64 38.33 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 3.16 1.47 0.00 -1.28 0.00 -1.82 -0.23 119.26 120.55 3kr5 h ALA 577 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3kr5 h ALA 577 Cb 1.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3kr5 h ALA 577 CO 0.38 0.44 -0.92 0.78 0.00 0.00 0.00 179.25 179.94 3kr5 h GLY 578 N 1.06 0.00 0.00 0.00 0.00 -1.81 -3.37 103.07 98.95 3kr5 h GLY 578 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kr5 h GLY 578 CO -0.10 0.00 -1.14 3.33 0.00 0.00 0.00 176.54 178.63 3kr5 n VAL 579 N -3.12 0.00 -0.11 4.60 0.24 -0.97 -3.97 118.33 115.01 3kr5 n VAL 579 Ca -0.03 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3kr5 n VAL 579 Cb 0.81 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kr5 h SER 580 N 0.00 0.91 -3.40 -1.34 0.87 -1.22 -3.42 113.55 105.95 3kr5 h SER 580 Ca 0.00 -0.47 -0.61 0.00 -1.23 0.00 0.00 61.79 59.48 3kr5 h SER 580 Cb 0.55 -0.26 -0.13 0.00 -0.44 0.00 0.00 62.40 62.13 3kr5 h SER 580 CO 0.00 1.19 -0.46 0.86 -0.53 0.00 0.00 176.83 177.90 3kr5 s TRP 581 N -4.37 3.38 -0.84 2.24 -0.11 -1.26 -1.10 118.94 116.88 3kr5 s TRP 581 Ca -0.12 0.34 -0.23 0.00 1.22 0.00 0.00 56.10 57.32 3kr5 s TRP 581 Cb 0.10 -2.25 0.07 0.00 -1.50 0.00 0.00 33.47 29.90 3kr5 s TRP 581 CO 0.86 0.18 1.20 1.21 -4.62 0.00 0.00 176.95 175.79 3kr5 s ASN 582 N 0.68 6.37 0.20 5.86 3.84 0.40 -4.88 114.94 127.41 3kr5 s ASN 582 Ca 0.10 -1.25 -0.10 0.00 0.21 0.00 0.00 52.86 51.81 3kr5 s ASN 582 Cb -0.12 -2.49 0.13 0.00 -0.55 0.00 0.00 41.25 38.22 3kr5 s ASN 582 CO 0.02 -1.46 1.79 -0.26 -2.79 0.00 0.00 177.10 174.40 3kr5 h PHE 583 N 9.56 1.01 -0.03 0.43 -1.00 -1.96 0.15 116.94 125.10 3kr5 h PHE 583 Ca -0.05 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3kr5 h PHE 583 Cb 1.04 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 3kr5 h PHE 583 CO 1.14 0.74 0.02 -0.22 -1.61 0.00 0.00 178.31 178.38 3kr5 h LYS 584 N 0.98 0.04 0.00 1.51 3.64 -1.95 -2.78 116.57 118.02 3kr5 h LYS 584 Ca 0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3kr5 h LYS 584 Cb 0.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3kr5 h LYS 584 CO -0.03 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.20 3kr5 n ALA 585 N -2.11 2.35 -3.65 5.00 0.00 -1.14 -4.93 120.51 116.03 3kr5 n ALA 585 Ca -0.07 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 3kr5 n ALA 585 Cb 0.04 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.10 3kr5 n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kr5 n ARG 586 N -1.40 -7.34 -3.77 0.00 1.74 0.00 -5.01 116.66 100.88 3kr5 n ARG 586 Ca 0.10 0.78 -0.09 0.00 -0.77 0.00 0.00 57.85 57.87 3kr5 n ARG 586 Cb 0.28 -5.80 -0.06 0.00 -1.02 0.00 0.00 32.46 25.86 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 -6.37 0.94 0.88 5.56 -2.85 -0.98 -5.03 119.74 111.90 3kr5 s LYS 587 Ca 0.60 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 54.59 3kr5 s LYS 587 Cb -0.27 0.39 0.12 0.00 -2.06 0.00 0.00 37.83 36.01 3kr5 s LYS 587 CO 0.74 -0.33 1.09 -2.14 0.10 0.00 0.00 175.35 174.81 3kr5 s PRO 588 N -3.84 1.35 -0.01 1.78 0.02 -1.26 -0.45 135.00 132.59 3kr5 s PRO 588 Ca 0.04 0.92 0.21 0.00 0.02 0.00 0.00 61.00 62.19 3kr5 s PRO 588 Cb 0.04 -1.81 -0.26 0.00 0.02 0.00 0.00 34.50 32.48 3kr5 s PRO 588 CO -0.11 -2.20 0.76 1.63 -0.33 0.00 0.00 177.00 176.75 3kr5 n LYS 589 N -3.87 0.23 -2.73 5.54 5.02 -0.26 -4.64 118.16 117.45 3kr5 n LYS 589 Ca 0.07 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 3kr5 n LYS 589 Cb 0.55 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 3kr5 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 590 N 1.43 -0.42 3.73 0.72 0.00 -1.26 -4.91 105.19 104.47 3kr5 n GLY 590 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kr5 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr5 s PHE 591 N -3.06 2.94 0.00 1.61 5.36 -1.26 -3.41 117.98 120.15 3kr5 s PHE 591 Ca 0.17 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 3kr5 s PHE 591 Cb -0.08 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 3kr5 s PHE 591 CO 0.21 -3.80 0.00 0.41 -1.46 0.00 0.00 175.22 170.58 3kr5 n GLY 592 N 3.48 1.43 0.34 13.12 0.00 -1.26 -4.66 105.19 117.63 3kr5 n GLY 592 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.32 -0.09 1.61 2.07 -1.73 0.16 116.25 118.59 3kr5 h VAL 593 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kr5 h VAL 593 Cb 0.00 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3kr5 h VAL 593 CO 0.00 0.00 0.01 0.03 0.02 0.00 0.00 177.57 177.63 3kr5 h ARG 594 N -0.54 0.16 -0.55 1.57 3.08 -1.90 -0.34 114.38 115.87 3kr5 h ARG 594 Ca 0.03 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.14 3kr5 h ARG 594 Cb 0.57 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.49 3kr5 h ARG 594 CO -0.19 0.38 -0.28 1.25 -1.07 0.00 0.00 179.97 180.06 3kr5 h LEU 595 N -0.08 -0.96 -0.80 3.04 5.85 -1.79 0.42 115.31 120.99 3kr5 h LEU 595 Ca 0.03 0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3kr5 h LEU 595 Cb 0.30 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3kr5 h LEU 595 CO 0.00 -0.28 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.53 3kr5 h LEU 596 N -0.14 0.66 -0.17 2.25 3.38 -0.50 -0.29 115.31 120.51 3kr5 h LEU 596 Ca 0.24 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 596 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kr5 h LEU 596 CO -0.63 0.88 -0.11 0.74 0.09 0.00 0.00 178.44 179.40 3kr5 h THR 597 N 0.58 1.33 -0.62 0.22 2.02 -0.12 -1.19 112.91 115.13 3kr5 h THR 597 Ca 0.08 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.11 3kr5 h THR 597 Cb 0.70 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 3kr5 h THR 597 CO 0.05 0.36 0.32 -0.33 0.37 0.00 0.00 175.52 176.29 3kr5 h GLU 598 N 0.03 0.57 -0.43 6.66 4.39 -0.04 0.17 114.58 125.94 3kr5 h GLU 598 Ca 0.03 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3kr5 h GLU 598 Cb 0.62 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 3kr5 h GLU 598 CO 0.03 0.38 0.06 0.35 -1.16 0.00 0.00 179.01 178.67 3kr5 h PHE 599 N 0.59 0.09 -0.49 4.33 3.57 -0.81 0.16 116.94 124.38 3kr5 h PHE 599 Ca 0.28 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 3kr5 h PHE 599 Cb 0.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3kr5 h PHE 599 CO -0.10 -0.02 -0.03 0.28 -2.23 0.00 0.00 178.31 176.21 3kr5 h VAL 600 N 0.19 1.27 -0.02 1.41 2.07 -0.47 -3.28 116.25 117.41 3kr5 h VAL 600 Ca 0.21 -1.13 -0.22 0.00 0.82 0.00 0.00 66.70 66.39 3kr5 h VAL 600 Cb 0.28 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kr5 h VAL 600 CO -0.30 0.39 -0.89 -0.07 0.02 0.00 0.00 177.57 176.72 3kr5 h LEU 601 N 0.74 0.54 -0.43 2.57 4.07 -0.17 -3.15 115.31 119.47 3kr5 h LEU 601 Ca 0.13 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.68 3kr5 h LEU 601 Cb 0.56 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3kr5 h LEU 601 CO 0.03 1.20 0.00 0.59 -1.08 0.00 0.00 178.44 179.18 3kr5 n ASN 602 N -3.77 0.63 -0.73 -0.43 4.13 0.51 -5.04 115.26 110.56 3kr5 n ASN 602 Ca -0.06 -1.91 0.13 0.00 1.68 0.00 0.00 54.58 54.42 3kr5 n ASN 602 Cb 0.81 -0.07 0.30 0.00 -1.54 0.00 0.00 39.78 39.28 3kr5 n ASN 602 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01