#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr4 s SER 86 N 0.00 6.34 0.03 0.00 0.01 -1.26 -5.08 113.70 113.75 3kr4 s SER 86 Ca 0.00 0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 3kr4 s SER 86 Cb 0.00 -1.94 -0.06 0.00 0.21 0.00 0.00 66.02 64.23 3kr4 s SER 86 CO 0.00 -0.05 1.33 -1.61 0.41 0.00 0.00 173.24 173.32 3kr4 s GLU 87 N -3.60 4.33 -0.17 12.44 0.41 -1.26 -4.96 118.70 125.90 3kr4 s GLU 87 Ca 0.36 1.91 -0.29 0.00 -0.41 0.00 0.00 54.97 56.54 3kr4 s GLU 87 Cb -0.10 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.79 3kr4 s GLU 87 CO 0.30 -0.46 1.12 0.08 -0.49 0.00 0.00 175.26 175.82 3kr4 s VAL 88 N 1.78 4.52 0.51 2.63 1.01 -1.26 -5.02 120.40 124.57 3kr4 s VAL 88 Ca 0.62 1.83 -0.20 0.00 0.00 0.00 0.00 61.98 64.23 3kr4 s VAL 88 Cb -0.31 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 3kr4 s VAL 88 CO 0.27 -0.12 1.05 -2.16 0.00 0.00 0.00 175.10 174.15 3kr4 s PRO 89 N 2.99 3.69 0.10 2.72 0.04 -1.26 -4.96 135.00 138.31 3kr4 s PRO 89 Ca 0.49 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.98 3kr4 s PRO 89 Cb -0.19 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3kr4 s PRO 89 CO 0.12 -0.53 -0.18 -0.65 0.04 0.00 0.00 177.00 175.80 3kr4 s GLN 90 N -3.35 1.02 -0.19 4.56 -0.21 -1.26 -5.03 119.66 115.20 3kr4 s GLN 90 Ca 0.67 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.81 3kr4 s GLN 90 Cb -0.17 -1.16 -0.20 0.00 1.00 0.00 0.00 33.01 32.47 3kr4 s GLN 90 CO 0.23 0.26 0.14 0.28 -2.12 0.00 0.00 175.29 174.08 3kr4 n VAL 91 N 1.06 1.62 -4.47 1.09 0.31 -1.26 -4.95 118.33 111.72 3kr4 n VAL 91 Ca -0.19 -0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 63.55 3kr4 n VAL 91 Cb 0.54 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 3kr4 n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kr4 s VAL 92 N -2.47 2.26 0.10 2.52 -7.23 -1.26 -5.03 120.40 109.29 3kr4 s VAL 92 Ca -0.29 -2.30 0.33 0.00 -1.81 0.00 0.00 61.98 57.91 3kr4 s VAL 92 Cb 0.08 -2.38 0.35 0.00 0.56 0.00 0.00 36.38 34.98 3kr4 s VAL 92 CO 0.64 -0.36 1.99 0.77 -0.31 0.00 0.00 175.10 177.83 3kr4 h SER 93 N 2.23 0.00 0.80 4.85 4.64 -2.03 -1.73 113.55 122.31 3kr4 h SER 93 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kr4 h SER 93 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kr4 h SER 93 CO 0.64 0.00 -0.11 0.18 -0.87 0.00 0.00 176.83 176.67 3kr4 n LEU 94 N -2.78 0.15 -4.74 5.97 4.77 -1.26 -4.85 117.00 114.26 3kr4 n LEU 94 Ca -0.00 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.89 3kr4 n LEU 94 Cb 0.18 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 3kr4 n LEU 94 CO 0.21 0.03 1.10 -1.81 -1.33 0.00 0.00 177.39 175.59 3kr4 s ASP 95 N -2.91 6.67 0.56 -1.43 1.01 -0.65 -4.97 116.67 114.94 3kr4 s ASP 95 Ca 0.16 2.65 -0.19 0.00 0.71 0.00 0.00 52.55 55.88 3kr4 s ASP 95 Cb 0.19 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3kr4 s ASP 95 CO 0.55 -0.69 1.12 -2.16 0.21 0.00 0.00 175.17 174.20 3kr4 s PRO 96 N -0.34 3.28 -0.02 8.23 0.04 -1.26 -4.98 135.00 139.95 3kr4 s PRO 96 Ca 0.59 1.56 0.05 0.00 0.04 0.00 0.00 61.00 63.25 3kr4 s PRO 96 Cb -0.42 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.26 3kr4 s PRO 96 CO 0.43 -0.90 1.11 0.25 0.04 0.00 0.00 177.00 177.93 3kr4 n THR 97 N -1.47 1.12 -3.50 1.26 -2.24 -1.26 -4.86 114.28 103.33 3kr4 n THR 97 Ca 0.11 -1.13 -0.10 0.00 -2.27 0.00 0.00 64.05 60.66 3kr4 n THR 97 Cb 0.51 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 3kr4 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr4 s SER 98 N -1.18 -0.45 -0.16 3.42 1.04 -1.26 -4.72 113.70 110.40 3kr4 s SER 98 Ca 0.11 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.29 3kr4 s SER 98 Cb 0.07 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3kr4 s SER 98 CO 0.06 -0.85 0.57 -0.63 0.98 0.00 0.00 173.24 173.36 3kr4 s ILE 99 N -3.49 5.09 0.29 -1.02 1.01 -1.26 -4.88 121.20 116.95 3kr4 s ILE 99 Ca 0.04 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 3kr4 s ILE 99 Cb -0.01 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 3kr4 s ILE 99 CO -0.09 0.21 1.27 -2.16 0.00 0.00 0.00 174.94 174.16 3kr4 s PRO 100 N 1.30 4.42 -0.02 2.79 0.04 -1.26 -5.01 135.00 137.26 3kr4 s PRO 100 Ca 0.28 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3kr4 s PRO 100 Cb -0.16 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3kr4 s PRO 100 CO 0.11 -0.12 0.02 0.42 0.04 0.00 0.00 177.00 177.46 3kr4 s ILE 101 N -0.84 0.01 -0.28 0.56 -1.09 -1.26 -4.97 121.20 113.34 3kr4 s ILE 101 Ca 0.50 0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.95 3kr4 s ILE 101 Cb -0.37 -0.12 -0.05 0.00 -1.58 0.00 0.00 42.46 40.34 3kr4 s ILE 101 CO 0.47 0.09 0.21 -0.70 -1.23 0.00 0.00 174.94 173.78 3kr4 s GLU 102 N 0.87 3.96 -0.23 2.79 2.12 -1.26 -4.95 118.70 121.99 3kr4 s GLU 102 Ca -0.08 -0.28 -0.09 0.00 0.36 0.00 0.00 54.97 54.89 3kr4 s GLU 102 Cb -0.11 -3.66 -0.18 0.00 0.26 0.00 0.00 34.13 30.45 3kr4 s GLU 102 CO -0.02 -0.19 -0.08 0.66 -0.54 0.00 0.00 175.26 175.08 3kr4 n TYR 103 N 5.09 0.41 -2.94 5.30 4.02 -1.26 -4.77 117.16 123.01 3kr4 n TYR 103 Ca -0.13 0.12 -0.44 0.00 -0.01 0.00 0.00 57.90 57.44 3kr4 n TYR 103 Cb 0.52 -1.05 -0.02 0.00 -0.02 0.00 0.00 39.34 38.77 3kr4 n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kr4 s ASN 104 N -6.99 6.77 0.50 7.72 0.01 -1.26 -5.01 114.94 116.68 3kr4 s ASN 104 Ca -0.33 -2.35 -0.03 0.00 -0.71 0.00 0.00 52.86 49.44 3kr4 s ASN 104 Cb 0.10 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 3kr4 s ASN 104 CO 0.60 -0.95 0.77 0.42 -1.51 0.00 0.00 177.10 176.42 3kr4 s THR 105 N 2.28 4.12 0.56 1.60 -4.23 -1.26 -4.96 115.64 113.74 3kr4 s THR 105 Ca 0.35 -0.18 0.23 0.00 -1.18 0.00 0.00 61.69 60.91 3kr4 s THR 105 Cb -0.04 -3.57 0.32 0.00 1.34 0.00 0.00 72.50 70.54 3kr4 s THR 105 CO -0.07 -0.49 2.19 -0.65 -0.54 0.00 0.00 174.62 175.06 3kr4 h PRO 106 N 0.18 0.00 -0.70 3.99 0.11 -2.00 -0.80 132.00 132.78 3kr4 h PRO 106 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kr4 h PRO 106 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3kr4 h PRO 106 CO 0.60 0.00 0.45 0.82 -0.21 0.00 0.00 178.00 179.66 3kr4 h ILE 107 N 0.00 1.19 0.00 4.15 1.08 -1.94 -2.37 117.51 119.62 3kr4 h ILE 107 Ca 0.01 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3kr4 h ILE 107 Cb 0.06 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3kr4 h ILE 107 CO -0.00 0.18 -0.11 0.45 -0.69 0.00 0.00 178.15 177.98 3kr4 h HIS 108 N 0.96 0.00 0.00 1.37 3.86 -1.51 -2.32 115.15 117.51 3kr4 h HIS 108 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3kr4 h HIS 108 Cb -0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.38 3kr4 h HIS 108 CO 0.00 0.11 -0.07 -0.25 0.86 0.00 0.00 177.93 178.58 3kr4 n ASP 109 N -3.61 0.23 -4.70 2.45 8.00 -0.89 -4.87 116.55 113.16 3kr4 n ASP 109 Ca -0.02 0.42 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 3kr4 n ASP 109 Cb 0.24 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 3kr4 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr4 s ILE 110 N -3.03 3.87 -0.20 0.53 1.01 -0.87 -4.86 121.20 117.65 3kr4 s ILE 110 Ca 0.13 1.28 -0.20 0.00 0.00 0.00 0.00 60.65 61.86 3kr4 s ILE 110 Cb 0.17 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3kr4 s ILE 110 CO 0.57 0.03 0.59 -0.54 0.00 0.00 0.00 174.94 175.59 3kr4 s LYS 111 N 1.89 4.20 -0.18 2.79 1.02 0.25 -4.89 119.74 124.83 3kr4 s LYS 111 Ca 0.61 0.55 -0.07 0.00 0.02 0.00 0.00 55.97 57.07 3kr4 s LYS 111 Cb -0.30 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 3kr4 s LYS 111 CO 0.26 -0.21 0.05 0.08 -0.92 0.00 0.00 175.35 174.61 3kr4 s VAL 112 N 1.82 4.61 -0.10 3.17 1.01 -1.26 -0.50 120.40 129.14 3kr4 s VAL 112 Ca 0.27 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3kr4 s VAL 112 Cb -0.16 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3kr4 s VAL 112 CO 0.10 0.46 -0.18 -1.10 0.00 0.00 0.00 175.10 174.38 3kr4 s GLN 113 N 0.44 2.47 -0.14 2.72 -1.52 0.02 -4.98 119.66 118.67 3kr4 s GLN 113 Ca 0.02 -0.67 -0.03 0.00 -1.95 0.00 0.00 55.36 52.73 3kr4 s GLN 113 Cb -0.13 -1.99 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 3kr4 s GLN 113 CO 0.01 0.04 -0.05 0.08 -0.25 0.00 0.00 175.29 175.12 3kr4 s VAL 114 N 0.70 3.79 0.12 1.09 1.01 -1.26 -0.30 120.40 125.54 3kr4 s VAL 114 Ca -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3kr4 s VAL 114 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3kr4 s VAL 114 CO 0.03 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.15 3kr4 s TYR 115 N 0.21 1.65 -0.05 5.22 1.51 0.86 -4.95 117.35 121.80 3kr4 s TYR 115 Ca -0.03 -0.47 -0.26 0.00 -1.01 0.00 0.00 57.07 55.30 3kr4 s TYR 115 Cb -0.14 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3kr4 s TYR 115 CO 0.03 0.22 0.80 0.34 -1.11 0.00 0.00 175.55 175.83 3kr4 s ASP 116 N -2.27 7.12 0.57 2.29 -1.08 -1.26 -1.79 116.67 120.26 3kr4 s ASP 116 Ca 0.09 1.35 0.29 0.00 -0.52 0.00 0.00 52.55 53.76 3kr4 s ASP 116 Cb -0.07 -2.47 1.48 0.00 -1.46 0.00 0.00 42.92 40.39 3kr4 s ASP 116 CO 0.05 -0.18 1.92 0.40 0.52 0.00 0.00 175.17 177.87 3kr4 h ILE 117 N 4.80 0.44 0.00 4.11 2.04 -1.64 -2.51 117.51 124.75 3kr4 h ILE 117 Ca -0.40 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kr4 h ILE 117 Cb 1.20 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3kr4 h ILE 117 CO 0.76 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 179.01 3kr4 h LYS 118 N 0.00 0.00 -0.00 2.37 6.56 -1.93 -0.93 116.57 122.65 3kr4 h LYS 118 Ca 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3kr4 h LYS 118 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3kr4 h LYS 118 CO -0.00 0.01 -0.11 0.41 -2.06 0.00 0.00 179.45 177.70 3kr4 n GLY 119 N -1.10 -1.05 0.00 3.86 0.00 -0.94 -5.05 105.19 100.91 3kr4 n GLY 119 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kr4 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr4 n GLY 120 N 1.31 -1.02 3.76 -0.02 0.00 -0.35 -4.93 105.19 103.94 3kr4 n GLY 120 Ca 0.13 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 3kr4 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr4 s ASN 122 N 0.05 6.97 -0.32 0.00 0.01 -1.26 0.28 114.94 120.67 3kr4 s ASN 122 Ca 0.12 1.16 0.02 0.00 -0.71 0.00 0.00 52.86 53.45 3kr4 s ASN 122 Cb -0.12 -2.36 0.10 0.00 0.41 0.00 0.00 41.25 39.27 3kr4 s ASN 122 CO 0.01 0.10 0.05 -0.69 -1.51 0.00 0.00 177.10 175.06 3kr4 s VAL 123 N -0.18 1.82 0.00 1.60 1.01 -1.26 -5.01 120.40 118.38 3kr4 s VAL 123 Ca 0.31 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.33 3kr4 s VAL 123 Cb -0.18 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kr4 s VAL 123 CO 0.17 -0.56 0.00 -0.62 0.00 0.00 0.00 175.10 174.09 3kr4 n GLU 124 N 4.46 0.53 -0.65 2.72 1.02 -1.26 -4.95 120.64 122.50 3kr4 n GLU 124 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3kr4 n GLU 124 Cb 0.42 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 32.06 3kr4 n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kr4 s GLU 125 N 4.37 -0.32 3.60 3.49 1.03 -1.26 -4.59 118.70 125.01 3kr4 s GLU 125 Ca 0.00 0.97 0.00 0.00 0.03 0.00 0.00 54.97 55.97 3kr4 s GLU 125 Cb 0.00 -1.61 0.00 0.00 -0.80 0.00 0.00 34.13 31.72 3kr4 s GLU 125 CO 0.00 -3.36 0.00 0.41 -1.33 0.00 0.00 175.26 170.98 3kr4 n GLY 126 N 0.45 0.28 2.95 -3.83 0.00 -1.26 -4.80 105.19 98.97 3kr4 n GLY 126 Ca 0.05 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 3kr4 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr4 s LEU 127 N 0.00 1.60 -0.26 0.99 2.96 -0.61 -3.87 118.68 119.49 3kr4 s LEU 127 Ca 0.00 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3kr4 s LEU 127 Cb 0.00 -0.47 0.03 0.00 0.50 0.00 0.00 46.19 46.25 3kr4 s LEU 127 CO 0.00 0.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.09 3kr4 s THR 128 N 0.50 2.80 -0.16 3.68 2.01 -0.75 -0.01 115.64 123.72 3kr4 s THR 128 Ca -0.07 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 60.77 3kr4 s THR 128 Cb -0.11 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 3kr4 s THR 128 CO 0.00 0.14 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.38 3kr4 s ILE 129 N 1.29 3.51 -0.12 1.82 -1.09 0.30 -1.05 121.20 125.86 3kr4 s ILE 129 Ca -0.01 -0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 3kr4 s ILE 129 Cb -0.17 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 3kr4 s ILE 129 CO -0.04 0.49 0.42 -0.36 -1.23 0.00 0.00 174.94 174.22 3kr4 s PHE 130 N 0.62 3.52 -0.37 3.97 0.40 -0.39 -0.67 117.98 125.05 3kr4 s PHE 130 Ca -0.04 0.83 -0.19 0.00 -0.60 0.00 0.00 56.93 56.92 3kr4 s PHE 130 Cb -0.15 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 40.91 3kr4 s PHE 130 CO 0.03 0.23 0.55 -0.51 0.70 0.00 0.00 175.22 176.22 3kr4 s LEU 131 N 0.43 4.39 0.03 -0.37 1.43 0.25 -1.33 118.68 123.52 3kr4 s LEU 131 Ca 0.23 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3kr4 s LEU 131 Cb -0.15 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 3kr4 s LEU 131 CO 0.09 -0.56 -0.14 0.68 0.23 0.00 0.00 176.35 176.64 3kr4 s VAL 132 N 2.51 1.15 0.18 -1.59 -7.23 -0.98 -1.38 120.40 113.06 3kr4 s VAL 132 Ca 0.20 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 3kr4 s VAL 132 Cb -0.15 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 3kr4 s VAL 132 CO 0.15 0.05 0.08 -0.46 -0.31 0.00 0.00 175.10 174.61 3kr4 n ASN 133 N 1.98 0.77 -3.08 4.85 0.23 -1.26 -0.10 115.26 118.64 3kr4 n ASN 133 Ca -0.18 -2.01 -0.06 0.00 -0.53 0.00 0.00 54.58 51.80 3kr4 n ASN 133 Cb 0.55 0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 38.77 3kr4 n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr4 s ASN 134 N -2.15 -0.81 0.20 0.53 3.84 -0.33 -4.83 114.94 111.39 3kr4 s ASN 134 Ca 0.12 -1.48 -0.33 0.00 0.21 0.00 0.00 52.86 51.38 3kr4 s ASN 134 Cb 0.01 1.50 -0.14 0.00 -0.55 0.00 0.00 41.25 42.07 3kr4 s ASN 134 CO 0.08 -0.14 1.50 -2.65 -2.79 0.00 0.00 177.10 173.10 3kr4 n PRO 135 N 3.69 2.08 0.00 0.43 -0.02 -1.26 -3.05 135.00 136.88 3kr4 n PRO 135 Ca 0.15 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3kr4 n PRO 135 Cb 0.54 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3kr4 n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr4 n GLY 136 N 2.81 2.48 3.55 -1.23 0.00 -1.01 -4.94 105.19 106.85 3kr4 n GLY 136 Ca 0.14 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3kr4 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr4 s LYS 137 N 0.00 3.54 0.05 1.61 -2.85 -1.17 -5.00 119.74 115.92 3kr4 s LYS 137 Ca 0.00 -1.07 -0.34 0.00 -1.00 0.00 0.00 55.97 53.56 3kr4 s LYS 137 Cb 0.00 -5.16 -0.13 0.00 -2.06 0.00 0.00 37.83 30.48 3kr4 s LYS 137 CO 0.00 -2.16 1.69 -1.91 0.10 0.00 0.00 175.35 173.08 3kr4 n GLU 138 N 8.71 2.12 -2.86 1.78 4.07 -1.26 -0.78 120.64 132.41 3kr4 n GLU 138 Ca 0.28 0.77 -0.20 0.00 -0.06 0.00 0.00 57.16 57.95 3kr4 n GLU 138 Cb 0.50 -2.56 0.01 0.00 -0.06 0.00 0.00 31.44 29.33 3kr4 n GLU 138 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kr4 n ASN 139 N 4.70 -5.07 -4.59 4.31 3.02 -1.26 -4.98 115.26 111.39 3kr4 n ASN 139 Ca 0.19 -0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 3kr4 n ASN 139 Cb 0.29 -4.17 0.20 0.00 -0.61 0.00 0.00 39.78 35.48 3kr4 n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kr4 s GLY 140 N -2.44 1.56 0.55 7.41 0.00 0.04 -4.49 107.32 109.95 3kr4 s GLY 140 Ca 0.20 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 3kr4 s GLY 140 CO 0.25 0.26 1.09 2.56 0.00 0.00 0.00 173.10 177.27 3kr4 s PRO 141 N -4.92 3.39 0.04 2.90 0.04 -1.26 -0.95 135.00 134.24 3kr4 s PRO 141 Ca 0.66 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3kr4 s PRO 141 Cb -0.19 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3kr4 s PRO 141 CO 0.59 -0.79 1.21 0.08 0.04 0.00 0.00 177.00 178.13 3kr4 s VAL 142 N -2.00 4.04 -0.08 -0.36 1.01 -0.21 -4.69 120.40 118.11 3kr4 s VAL 142 Ca 0.69 1.45 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3kr4 s VAL 142 Cb -0.20 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3kr4 s VAL 142 CO 0.29 0.09 -0.06 -0.54 0.00 0.00 0.00 175.10 174.88 3kr4 s LYS 143 N 1.29 1.20 -0.23 2.72 1.02 -1.26 -3.52 119.74 120.94 3kr4 s LYS 143 Ca 0.59 -0.17 -0.19 0.00 0.02 0.00 0.00 55.97 56.22 3kr4 s LYS 143 Cb -0.29 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 3kr4 s LYS 143 CO 0.28 -0.17 0.54 0.42 -0.92 0.00 0.00 175.35 175.50 3kr4 s ILE 144 N 1.35 5.07 -0.07 2.17 -1.09 -1.26 -4.96 121.20 122.40 3kr4 s ILE 144 Ca -0.03 0.96 0.21 0.00 -2.23 0.00 0.00 60.65 59.56 3kr4 s ILE 144 Cb -0.14 -3.86 -0.31 0.00 -1.58 0.00 0.00 42.46 36.58 3kr4 s ILE 144 CO -0.03 0.11 0.41 -1.54 -1.23 0.00 0.00 174.94 172.66 3kr4 n SER 145 N 5.27 0.03 -4.76 3.58 3.41 -1.26 -4.96 113.62 114.93 3kr4 n SER 145 Ca -0.04 0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.21 3kr4 n SER 145 Cb 0.50 1.74 0.01 0.00 -0.26 0.00 0.00 64.21 66.20 3kr4 n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kr4 s SER 146 N -4.75 5.83 0.17 4.04 0.01 -1.26 -4.98 113.70 112.77 3kr4 s SER 146 Ca -0.08 2.49 -0.31 0.00 1.31 0.00 0.00 55.95 59.36 3kr4 s SER 146 Cb 0.12 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 3kr4 s SER 146 CO 0.89 -1.16 1.37 -0.75 0.41 0.00 0.00 173.24 174.00 3kr4 s LYS 147 N -2.76 4.33 -0.17 12.44 2.20 -1.26 -4.96 119.74 129.56 3kr4 s LYS 147 Ca 0.66 2.12 -0.02 0.00 -0.36 0.00 0.00 55.97 58.37 3kr4 s LYS 147 Cb -0.33 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3kr4 s LYS 147 CO 0.40 -0.37 -0.09 0.08 -0.36 0.00 0.00 175.35 175.02 3kr4 s VAL 148 N 0.51 3.24 -1.26 4.02 1.01 -1.26 -0.42 120.40 126.25 3kr4 s VAL 148 Ca 0.61 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 3kr4 s VAL 148 Cb -0.38 -2.42 -0.12 0.00 0.00 0.00 0.00 36.38 33.46 3kr4 s VAL 148 CO 0.36 0.48 3.09 0.59 0.00 0.00 0.00 175.10 179.62 3kr4 n ASN 149 N 4.07 7.98 -3.56 3.32 3.02 0.14 -4.69 115.26 125.55 3kr4 n ASN 149 Ca -0.18 -2.57 -0.01 0.00 -0.03 0.00 0.00 54.58 51.78 3kr4 n ASN 149 Cb 0.52 -1.52 -0.05 0.00 -0.61 0.00 0.00 39.78 38.12 3kr4 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kr4 s ASP 150 N 2.06 -0.83 0.15 6.41 2.15 -1.26 -4.82 116.67 120.54 3kr4 s ASP 150 Ca 0.69 1.19 -0.13 0.00 0.43 0.00 0.00 52.55 54.73 3kr4 s ASP 150 Cb 0.21 1.80 0.03 0.00 -0.30 0.00 0.00 42.92 44.67 3kr4 s ASP 150 CO -0.05 -0.17 1.65 0.07 -0.17 0.00 0.00 175.17 176.50 3kr4 h LYS 151 N 7.42 0.83 -0.17 4.34 2.10 -1.99 -0.47 116.57 128.63 3kr4 h LYS 151 Ca -0.20 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 3kr4 h LYS 151 Cb 1.14 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 3kr4 h LYS 151 CO 0.11 0.81 0.07 1.96 -2.00 0.00 0.00 179.45 180.40 3kr4 h GLN 152 N 0.71 0.25 -0.51 0.07 1.08 -1.91 -0.08 115.11 114.73 3kr4 h GLN 152 Ca 0.16 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 3kr4 h GLN 152 Cb 0.36 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3kr4 h GLN 152 CO 0.01 0.31 -0.11 0.28 -0.95 0.00 0.00 178.83 178.36 3kr4 h VAL 153 N 0.13 1.27 -0.40 -0.54 2.07 -1.81 -0.95 116.25 116.02 3kr4 h VAL 153 Ca 0.06 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3kr4 h VAL 153 Cb 0.15 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3kr4 h VAL 153 CO -0.01 0.43 0.26 0.28 0.02 0.00 0.00 177.57 178.55 3kr4 h SER 154 N 0.84 0.46 -0.18 0.57 0.02 -0.83 -0.49 113.55 113.94 3kr4 h SER 154 Ca 0.13 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3kr4 h SER 154 Cb 0.65 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3kr4 h SER 154 CO 0.05 0.34 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.95 3kr4 h GLU 155 N 0.53 -0.00 -0.74 3.45 4.57 -0.81 -2.44 114.58 119.14 3kr4 h GLU 155 Ca 0.14 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.41 3kr4 h GLU 155 Cb -0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.47 3kr4 h GLU 155 CO -0.03 -0.00 0.40 0.35 -1.18 0.00 0.00 179.01 178.54 3kr4 h PHE 156 N -0.00 0.71 -0.27 0.92 3.57 -0.65 -2.29 116.94 118.94 3kr4 h PHE 156 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kr4 h PHE 156 Cb 0.13 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3kr4 h PHE 156 CO -0.20 0.28 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 3kr4 n LEU 157 N -4.81 2.28 -4.75 0.59 4.77 -0.24 -4.68 117.00 110.15 3kr4 n LEU 157 Ca 0.12 -1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 54.63 3kr4 n LEU 157 Cb 0.26 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3kr4 n LEU 157 CO 0.26 0.40 0.72 -1.59 -1.33 0.00 0.00 177.39 175.85 3kr4 s LYS 158 N -1.66 2.21 0.25 3.23 -2.85 -0.86 -4.50 119.74 115.56 3kr4 s LYS 158 Ca 0.21 1.35 -0.03 0.00 -1.00 0.00 0.00 55.97 56.50 3kr4 s LYS 158 Cb 0.14 -1.88 0.44 0.00 -2.06 0.00 0.00 37.83 34.47 3kr4 s LYS 158 CO 0.10 -1.70 1.81 -0.44 0.10 0.00 0.00 175.35 175.22 3kr4 h ASP 159 N -0.83 0.71 -0.59 0.03 3.32 -1.92 -1.35 116.42 115.79 3kr4 h ASP 159 Ca -0.45 0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.73 3kr4 h ASP 159 Cb 1.25 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3kr4 h ASP 159 CO 0.50 0.39 0.27 -0.08 -1.72 0.00 0.00 179.24 178.60 3kr4 h GLU 160 N 0.81 0.48 -0.02 3.56 4.81 -1.96 -0.46 114.58 121.80 3kr4 h GLU 160 Ca 0.42 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.44 3kr4 h GLU 160 Cb 0.41 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3kr4 h GLU 160 CO -0.26 0.32 -0.80 -0.91 -0.73 0.00 0.00 179.01 176.63 3kr4 h ASN 161 N 0.49 0.29 1.43 1.04 2.35 -1.61 -3.33 115.58 116.25 3kr4 h ASN 161 Ca 0.28 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3kr4 h ASN 161 Cb 0.27 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3kr4 h ASN 161 CO -0.24 0.97 -0.58 0.24 -1.65 0.00 0.00 177.43 176.17 3kr4 h MET 162 N 0.14 0.00 0.00 0.81 2.86 -0.58 -3.33 114.93 114.83 3kr4 h MET 162 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kr4 h MET 162 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 3kr4 h MET 162 CO 0.12 0.43 0.00 1.05 1.06 0.00 0.00 176.91 179.57 3kr4 h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -1.15 -0.62 114.58 118.64 3kr4 h GLU 163 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3kr4 h GLU 163 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3kr4 h GLU 163 CO 0.06 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.50 3kr4 n LYS 164 N -2.66 0.02 -4.17 1.06 0.00 -1.25 -4.67 118.16 106.49 3kr4 n LYS 164 Ca 0.00 0.17 -0.27 0.00 -0.00 0.00 0.00 58.31 58.21 3kr4 n LYS 164 Cb 0.19 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.65 3kr4 n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kr4 s PHE 165 N -2.97 2.93 0.38 5.58 0.08 -0.24 -5.05 117.98 118.69 3kr4 s PHE 165 Ca 0.10 -0.10 0.08 0.00 0.12 0.00 0.00 56.93 57.13 3kr4 s PHE 165 Cb 0.12 -1.43 -0.07 0.00 -0.57 0.00 0.00 43.02 41.07 3kr4 s PHE 165 CO 0.34 0.51 -0.02 0.54 -0.10 0.00 0.00 175.22 176.49 3kr4 s ASN 166 N -2.90 3.73 -0.10 1.36 2.20 -1.26 -1.04 114.94 116.93 3kr4 s ASN 166 Ca 0.28 -1.31 0.14 0.00 -0.94 0.00 0.00 52.86 51.03 3kr4 s ASN 166 Cb -0.10 -0.36 0.57 0.00 -2.00 0.00 0.00 41.25 39.36 3kr4 s ASN 166 CO 0.20 -0.38 1.44 1.33 -2.94 0.00 0.00 177.10 176.75 3kr4 n VAL 167 N -0.89 1.49 -1.61 3.54 0.24 -0.13 -4.73 118.33 116.24 3kr4 n VAL 167 Ca -0.05 -0.93 -0.56 0.00 -2.04 0.00 0.00 64.34 60.76 3kr4 n VAL 167 Cb 0.66 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.96 3kr4 n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kr4 n LYS 168 N 0.80 0.86 -1.70 7.34 4.81 -1.26 -0.83 118.16 128.19 3kr4 n LYS 168 Ca 0.20 0.31 -0.56 0.00 -0.87 0.00 0.00 58.31 57.40 3kr4 n LYS 168 Cb 0.75 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 3kr4 n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kr4 n LEU 169 N 3.12 2.58 0.00 3.14 7.94 -1.26 -0.95 117.00 131.57 3kr4 n LEU 169 Ca 0.21 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3kr4 n LEU 169 Cb 0.14 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 42.90 3kr4 n LEU 169 CO 0.68 -0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 3kr4 n GLY 170 N 4.35 0.93 3.79 -3.96 0.00 -0.40 -4.96 105.19 104.93 3kr4 n GLY 170 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3kr4 n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kr4 s THR 171 N -2.32 3.50 0.05 2.61 -1.32 -0.13 -4.78 115.64 113.25 3kr4 s THR 171 Ca 0.00 0.92 -0.17 0.00 -1.21 0.00 0.00 61.69 61.23 3kr4 s THR 171 Cb 0.00 -3.37 0.03 0.00 -1.51 0.00 0.00 72.50 67.65 3kr4 s THR 171 CO 0.00 -0.21 0.38 -0.94 -2.21 0.00 0.00 174.62 171.63 3kr4 s SER 172 N -1.93 -0.23 0.00 8.08 1.04 -1.26 -0.01 113.70 119.40 3kr4 s SER 172 Ca 0.70 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.99 3kr4 s SER 172 Cb -0.20 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3kr4 s SER 172 CO 0.24 -0.66 0.09 -0.54 0.98 0.00 0.00 173.24 173.35 3kr4 s LYS 173 N -2.60 0.40 -0.03 4.02 -0.14 -1.01 -5.00 119.74 115.38 3kr4 s LYS 173 Ca -0.04 -0.39 0.01 0.00 -1.36 0.00 0.00 55.97 54.19 3kr4 s LYS 173 Cb -0.01 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 3kr4 s LYS 173 CO -0.03 -0.09 -0.03 -1.01 -0.76 0.00 0.00 175.35 173.43 3kr4 s HIS 174 N -1.24 3.02 0.03 3.18 3.76 -1.26 -2.36 115.29 120.41 3kr4 s HIS 174 Ca -0.13 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 3kr4 s HIS 174 Cb -0.07 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3kr4 s HIS 174 CO 0.01 0.42 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.08 3kr4 s PHE 175 N -0.97 1.58 -0.06 1.40 2.99 0.23 -4.95 117.98 118.20 3kr4 s PHE 175 Ca 0.16 -0.35 0.03 0.00 0.00 0.00 0.00 56.93 56.78 3kr4 s PHE 175 Cb -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 43.02 41.95 3kr4 s PHE 175 CO 0.06 0.05 -0.14 -0.47 -0.00 0.00 0.00 175.22 174.72 3kr4 s TYR 176 N -0.72 1.56 0.26 0.36 5.04 -1.26 -1.25 117.35 121.34 3kr4 s TYR 176 Ca 0.06 -0.52 -0.21 0.00 -2.44 0.00 0.00 57.07 53.95 3kr4 s TYR 176 Cb -0.08 -1.10 0.04 0.00 0.35 0.00 0.00 41.96 41.17 3kr4 s TYR 176 CO 0.01 -0.23 0.80 0.00 -1.34 0.00 0.00 175.55 174.80 3kr4 s MET 177 N 0.37 1.68 -0.16 4.97 0.23 -0.96 -5.01 119.30 120.41 3kr4 s MET 177 Ca -0.10 -0.96 -0.06 0.00 -1.03 0.00 0.00 55.69 53.54 3kr4 s MET 177 Cb -0.14 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 3kr4 s MET 177 CO 0.03 -0.77 0.05 -0.06 -2.03 0.00 0.00 175.02 172.24 3kr4 s PHE 178 N -3.49 3.25 0.64 3.16 0.08 -1.26 0.06 117.98 120.43 3kr4 s PHE 178 Ca 0.12 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.18 3kr4 s PHE 178 Cb -0.05 -2.01 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 3kr4 s PHE 178 CO 0.06 0.23 0.88 0.27 -0.10 0.00 0.00 175.22 176.56 3kr4 n ASN 179 N 3.20 0.24 0.28 1.36 0.23 -0.80 -4.64 115.26 115.13 3kr4 n ASN 179 Ca -0.17 -1.42 0.17 0.00 -0.53 0.00 0.00 54.58 52.62 3kr4 n ASN 179 Cb 0.53 -0.65 0.90 0.00 -2.08 0.00 0.00 39.78 38.48 3kr4 n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kr4 h ASP 180 N -1.05 0.00 -0.65 0.53 3.32 -1.94 -1.05 116.42 115.57 3kr4 h ASP 180 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kr4 h ASP 180 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3kr4 h ASP 180 CO 0.22 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 3kr4 n ASN 181 N -2.73 4.01 -1.53 6.45 3.02 -1.26 -4.93 115.26 118.28 3kr4 n ASN 181 Ca -0.02 -2.18 -0.15 0.00 -0.03 0.00 0.00 54.58 52.20 3kr4 n ASN 181 Cb 0.14 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 3kr4 n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kr4 n LYS 182 N 1.30 -1.13 -4.21 3.52 2.85 -0.40 -5.00 118.16 115.09 3kr4 n LYS 182 Ca 0.23 0.78 -0.34 0.00 -1.05 0.00 0.00 58.31 57.93 3kr4 n LYS 182 Cb 0.69 -5.04 -0.13 0.00 -0.65 0.00 0.00 35.03 29.90 3kr4 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kr4 s ASN 183 N -2.46 4.67 0.32 -5.58 0.02 -1.26 -4.84 114.94 105.81 3kr4 s ASN 183 Ca 0.00 -0.22 -0.29 0.00 -1.02 0.00 0.00 52.86 51.33 3kr4 s ASN 183 Cb 0.00 -1.78 -0.11 0.00 0.02 0.00 0.00 41.25 39.38 3kr4 s ASN 183 CO 0.00 0.09 1.50 -0.94 0.02 0.00 0.00 177.10 177.77 3kr4 s SER 184 N 0.81 6.45 0.06 -1.22 1.04 -1.26 -1.91 113.70 117.68 3kr4 s SER 184 Ca -0.01 2.91 0.05 0.00 0.48 0.00 0.00 55.95 59.38 3kr4 s SER 184 Cb -0.14 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 3kr4 s SER 184 CO 0.02 -0.82 -0.14 0.68 0.98 0.00 0.00 173.24 173.95 3kr4 s VAL 185 N -0.52 1.14 -0.13 5.02 -7.23 0.11 -4.87 120.40 113.92 3kr4 s VAL 185 Ca 0.57 -1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.51 3kr4 s VAL 185 Cb -0.45 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3kr4 s VAL 185 CO 0.53 -0.12 0.04 0.00 -0.31 0.00 0.00 175.10 175.24 3kr4 s ALA 186 N -1.09 3.38 0.16 1.32 0.00 -1.25 -2.26 121.76 122.02 3kr4 s ALA 186 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3kr4 s ALA 186 Cb -0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3kr4 s ALA 186 CO 0.02 0.41 0.05 0.08 0.00 0.00 0.00 175.76 176.31 3kr4 s VAL 187 N -0.32 0.33 -0.04 0.00 1.01 -0.38 -1.80 120.40 119.20 3kr4 s VAL 187 Ca 0.08 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.92 3kr4 s VAL 187 Cb -0.12 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.17 3kr4 s VAL 187 CO 0.02 -0.40 0.86 0.61 0.00 0.00 0.00 175.10 176.19 3kr4 n GLY 188 N -0.19 0.27 3.19 4.51 0.00 -0.21 0.76 105.19 113.52 3kr4 n GLY 188 Ca -0.05 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 3kr4 n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kr4 s TYR 189 N -2.19 0.15 -0.10 1.61 1.13 -1.00 -1.27 117.35 115.69 3kr4 s TYR 189 Ca 0.20 -0.53 0.04 0.00 -1.41 0.00 0.00 57.07 55.37 3kr4 s TYR 189 Cb -0.00 -0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 3kr4 s TYR 189 CO -0.01 -0.50 -0.22 0.08 -2.51 0.00 0.00 175.55 172.39 3kr4 s VAL 190 N -3.48 2.25 0.18 -3.49 1.01 -0.44 -2.40 120.40 114.03 3kr4 s VAL 190 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3kr4 s VAL 190 Cb 0.03 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 3kr4 s VAL 190 CO -0.09 0.56 1.27 -0.83 0.00 0.00 0.00 175.10 176.00 3kr4 s GLY 191 N 0.23 2.50 -0.10 4.51 0.00 0.99 -2.33 107.32 113.12 3kr4 s GLY 191 Ca -0.14 1.03 0.14 0.00 0.00 0.00 0.00 44.72 45.75 3kr4 s GLY 191 CO 0.07 2.01 1.22 0.00 0.00 0.00 0.00 173.10 176.40 3kr4 n GLY 193 N -0.70 -0.51 0.08 0.00 0.00 -0.01 -4.48 105.19 99.57 3kr4 n GLY 193 Ca 0.14 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 45.03 3kr4 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr4 n SER 194 N 0.91 0.97 -4.48 1.61 3.41 -1.26 -1.19 113.62 113.58 3kr4 n SER 194 Ca 0.00 -1.74 -0.35 0.00 -0.26 0.00 0.00 58.87 56.52 3kr4 n SER 194 Cb 0.00 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 3kr4 n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr4 s VAL 195 N -0.70 4.12 0.02 -3.33 1.01 -1.26 -2.41 120.40 117.86 3kr4 s VAL 195 Ca 0.04 -0.26 0.23 0.00 0.00 0.00 0.00 61.98 61.99 3kr4 s VAL 195 Cb 0.03 -2.86 0.23 0.00 0.00 0.00 0.00 36.38 33.78 3kr4 s VAL 195 CO 0.00 0.43 1.75 0.00 0.00 0.00 0.00 175.10 177.28 3kr4 h ALA 196 N 7.35 0.95 -3.21 5.51 0.00 -1.94 -3.38 119.26 124.54 3kr4 h ALA 196 Ca -0.36 -0.21 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 3kr4 h ALA 196 Cb 1.18 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.63 3kr4 h ALA 196 CO 0.62 0.29 -0.70 -0.51 0.00 0.00 0.00 179.25 178.95 3kr4 s ASP 197 N -6.20 4.64 0.11 0.00 1.11 -1.26 -4.60 116.67 110.46 3kr4 s ASP 197 Ca 0.02 -0.86 -0.30 0.00 0.18 0.00 0.00 52.55 51.58 3kr4 s ASP 197 Cb 0.09 -1.74 -0.07 0.00 1.07 0.00 0.00 42.92 42.28 3kr4 s ASP 197 CO 0.65 -0.16 1.20 -0.76 1.18 0.00 0.00 175.17 177.28 3kr4 s LEU 198 N 1.37 4.40 0.88 1.23 1.43 -1.26 -5.04 118.68 121.69 3kr4 s LEU 198 Ca 0.00 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3kr4 s LEU 198 Cb -0.17 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.58 3kr4 s LEU 198 CO -0.02 -0.43 1.09 -0.94 0.23 0.00 0.00 176.35 176.29 3kr4 s SER 199 N 0.71 3.63 0.29 2.29 1.04 -1.26 -4.78 113.70 115.62 3kr4 s SER 199 Ca 0.56 1.55 0.04 0.00 0.48 0.00 0.00 55.95 58.59 3kr4 s SER 199 Cb -0.31 -2.23 0.68 0.00 0.10 0.00 0.00 66.02 64.26 3kr4 s SER 199 CO 0.32 -2.55 1.79 -0.08 0.98 0.00 0.00 173.24 173.70 3kr4 h GLU 200 N -1.49 0.78 -0.38 4.02 4.22 -1.96 0.04 114.58 119.81 3kr4 h GLU 200 Ca -0.48 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 58.82 3kr4 h GLU 200 Cb 1.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3kr4 h GLU 200 CO 0.54 0.51 -0.09 0.00 -2.18 0.00 0.00 179.01 177.79 3kr4 h ALA 201 N 1.61 0.53 -0.37 2.92 0.00 -1.94 -1.68 119.26 120.32 3kr4 h ALA 201 Ca 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kr4 h ALA 201 Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kr4 h ALA 201 CO -0.36 0.39 0.18 -0.44 0.00 0.00 0.00 179.25 179.03 3kr4 h ASP 202 N 0.54 0.49 -0.89 0.00 3.32 -1.68 -2.30 116.42 115.90 3kr4 h ASP 202 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kr4 h ASP 202 Cb 0.61 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3kr4 h ASP 202 CO 0.04 0.47 0.56 -0.03 -1.72 0.00 0.00 179.24 178.56 3kr4 h MET 203 N 0.47 1.19 -0.94 3.56 4.05 -0.94 -1.37 114.93 120.94 3kr4 h MET 203 Ca 0.13 -0.10 0.06 0.00 -0.28 0.00 0.00 59.70 59.51 3kr4 h MET 203 Cb 0.11 -0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 30.60 3kr4 h MET 203 CO -0.02 0.82 0.61 -0.22 0.23 0.00 0.00 176.91 178.34 3kr4 h LYS 204 N 1.22 1.07 -0.28 0.39 3.64 -1.07 -0.10 116.57 121.44 3kr4 h LYS 204 Ca 0.32 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3kr4 h LYS 204 Cb -0.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 3kr4 h LYS 204 CO -0.06 0.71 0.05 -0.09 -2.27 0.00 0.00 179.45 177.79 3kr4 h ARG 205 N 1.10 0.46 -0.47 1.90 2.43 -0.74 0.14 114.38 119.21 3kr4 h ARG 205 Ca 0.40 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3kr4 h ARG 205 Cb 0.16 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3kr4 h ARG 205 CO -0.15 0.56 0.15 0.28 -1.51 0.00 0.00 179.97 179.31 3kr4 h VAL 206 N 0.28 0.83 -0.49 0.20 2.07 -0.83 -1.72 116.25 116.58 3kr4 h VAL 206 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3kr4 h VAL 206 Cb 0.32 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3kr4 h VAL 206 CO 0.00 0.06 0.15 0.58 0.02 0.00 0.00 177.57 178.38 3kr4 h VAL 207 N 0.32 1.23 -0.88 2.57 2.07 -0.81 -0.97 116.25 119.77 3kr4 h VAL 207 Ca 0.22 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3kr4 h VAL 207 Cb 0.24 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3kr4 h VAL 207 CO -0.24 0.28 0.58 -0.07 0.02 0.00 0.00 177.57 178.14 3kr4 h LEU 208 N 0.67 0.98 -0.03 2.57 3.38 -0.51 0.94 115.31 123.31 3kr4 h LEU 208 Ca 0.16 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3kr4 h LEU 208 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kr4 h LEU 208 CO -0.00 0.69 -0.07 0.28 0.09 0.00 0.00 178.44 179.42 3kr4 h SER 209 N 1.15 -0.22 -0.82 -0.43 0.02 -0.96 -1.91 113.55 110.38 3kr4 h SER 209 Ca 0.34 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.46 3kr4 h SER 209 Cb -0.07 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.49 3kr4 h SER 209 CO -0.09 -0.11 0.41 0.25 -1.14 0.00 0.00 176.83 176.15 3kr4 h LEU 210 N -0.12 0.50 -0.94 5.07 5.85 -0.73 -2.29 115.31 122.66 3kr4 h LEU 210 Ca 0.04 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3kr4 h LEU 210 Cb 0.17 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3kr4 h LEU 210 CO -0.10 0.23 -0.02 0.58 -0.34 0.00 0.00 178.44 178.79 3kr4 h VAL 211 N 0.61 1.24 -0.07 1.05 2.07 -0.53 -1.82 116.25 118.80 3kr4 h VAL 211 Ca 0.44 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3kr4 h VAL 211 Cb 0.58 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3kr4 h VAL 211 CO -0.34 0.35 -0.20 0.71 0.02 0.00 0.00 177.57 178.11 3kr4 h THR 212 N 0.70 1.18 0.00 2.57 1.35 -0.78 0.52 112.91 118.45 3kr4 h THR 212 Ca 0.14 -0.82 -0.07 0.00 -0.55 0.00 0.00 66.41 65.10 3kr4 h THR 212 Cb 0.46 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3kr4 h THR 212 CO 0.02 0.24 -0.35 0.24 -0.25 0.00 0.00 175.52 175.42 3kr4 h MET 213 N 0.10 0.00 0.03 4.72 2.07 -1.10 -3.11 114.93 117.64 3kr4 h MET 213 Ca 0.02 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.44 3kr4 h MET 213 Cb 0.41 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.13 3kr4 h MET 213 CO 0.03 0.35 -0.97 -0.07 1.07 0.00 0.00 176.91 177.32 3kr4 h LEU 214 N 0.00 0.19 -9.86 1.22 3.38 -0.36 -3.43 115.31 106.46 3kr4 h LEU 214 Ca -0.00 -0.18 -0.48 0.00 0.09 0.00 0.00 57.88 57.31 3kr4 h LEU 214 Cb 0.79 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3kr4 h LEU 214 CO 0.05 1.05 0.36 -1.00 0.09 0.00 0.00 178.44 178.99 3kr4 s HIS 215 N -2.97 3.70 -1.42 1.13 3.76 -0.29 -3.58 115.29 115.61 3kr4 s HIS 215 Ca -0.02 1.79 -0.01 0.00 -0.15 0.00 0.00 55.06 56.67 3kr4 s HIS 215 Cb 0.10 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.80 3kr4 s HIS 215 CO 0.83 0.11 0.16 -0.25 -0.85 0.00 0.00 174.74 174.75 3kr4 n ASP 216 N 0.73 -5.18 -3.37 1.40 8.00 -1.26 -4.94 116.55 111.93 3kr4 n ASP 216 Ca 0.01 -0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 3kr4 n ASP 216 Cb 0.49 -4.19 -0.09 0.00 -0.02 0.00 0.00 41.12 37.31 3kr4 n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kr4 s ASN 217 N -2.39 0.38 -0.65 -2.24 3.84 -1.23 -5.10 114.94 107.55 3kr4 s ASN 217 Ca 0.08 0.17 -0.26 0.00 0.21 0.00 0.00 52.86 53.06 3kr4 s ASN 217 Cb -0.04 1.03 -0.02 0.00 -0.55 0.00 0.00 41.25 41.67 3kr4 s ASN 217 CO 0.10 -0.30 1.83 -0.54 -2.79 0.00 0.00 177.10 175.40 3kr4 s LYS 218 N 2.52 2.66 -0.02 0.43 1.02 -1.26 -4.91 119.74 120.18 3kr4 s LYS 218 Ca 0.12 0.48 0.08 0.00 0.02 0.00 0.00 55.97 56.66 3kr4 s LYS 218 Cb -0.15 -4.43 -0.02 0.00 -0.52 0.00 0.00 37.83 32.70 3kr4 s LYS 218 CO -0.15 -2.75 -0.26 -0.51 -0.92 0.00 0.00 175.35 170.76 3kr4 s LEU 219 N 8.93 2.05 0.14 3.17 1.43 -1.26 -5.02 118.68 128.12 3kr4 s LEU 219 Ca 0.65 -0.47 0.20 0.00 -1.03 0.00 0.00 54.13 53.48 3kr4 s LEU 219 Cb -0.12 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 3kr4 s LEU 219 CO 0.18 0.31 0.94 -1.54 0.23 0.00 0.00 176.35 176.48 3kr4 n SER 220 N 2.42 0.85 -3.85 2.29 3.41 -1.26 -3.72 113.62 113.76 3kr4 n SER 220 Ca -0.16 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 3kr4 n SER 220 Cb 0.51 0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.68 3kr4 n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kr4 s LYS 221 N -3.17 0.36 -0.04 4.33 2.20 -1.26 -0.31 119.74 121.84 3kr4 s LYS 221 Ca -0.02 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 3kr4 s LYS 221 Cb 0.09 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 3kr4 s LYS 221 CO 0.80 -0.07 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.35 3kr4 s LEU 222 N -0.73 1.97 -0.05 5.43 2.96 -0.69 -1.58 118.68 125.99 3kr4 s LEU 222 Ca -0.08 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3kr4 s LEU 222 Cb -0.05 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3kr4 s LEU 222 CO 0.01 0.19 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.09 3kr4 s THR 223 N -0.12 2.04 -0.11 3.68 2.01 0.99 -1.27 115.64 122.86 3kr4 s THR 223 Ca -0.01 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.96 3kr4 s THR 223 Cb -0.11 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.68 3kr4 s THR 223 CO 0.02 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.60 3kr4 s VAL 224 N -0.23 2.09 -0.28 3.82 1.01 -0.08 -0.54 120.40 126.19 3kr4 s VAL 224 Ca -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 3kr4 s VAL 224 Cb -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3kr4 s VAL 224 CO 0.03 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 3kr4 s VAL 225 N 0.47 3.64 -0.59 2.92 1.01 0.15 -0.81 120.40 127.20 3kr4 s VAL 225 Ca -0.16 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 3kr4 s VAL 225 Cb -0.17 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3kr4 s VAL 225 CO 0.06 0.13 1.19 -0.36 0.00 0.00 0.00 175.10 176.11 3kr4 s PHE 226 N 1.45 2.60 -0.32 5.22 0.40 -0.35 -0.58 117.98 126.40 3kr4 s PHE 226 Ca 0.02 0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.81 3kr4 s PHE 226 Cb -0.17 -4.51 0.55 0.00 0.51 0.00 0.00 43.02 39.41 3kr4 s PHE 226 CO 0.00 -1.61 1.57 0.39 0.70 0.00 0.00 175.22 176.28 3kr4 n GLU 227 N 8.46 2.10 -4.31 0.44 1.02 -0.48 -4.69 120.64 123.18 3kr4 n GLU 227 Ca 0.08 -3.12 -0.22 0.00 -0.02 0.00 0.00 57.16 53.88 3kr4 n GLU 227 Cb 0.49 -1.91 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 3kr4 n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kr4 s ILE 228 N -3.21 1.72 -0.16 -3.67 -4.36 -1.24 -4.49 121.20 105.78 3kr4 s ILE 228 Ca 0.47 -1.79 -0.27 0.00 -0.26 0.00 0.00 60.65 58.80 3kr4 s ILE 228 Cb 0.42 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 42.39 3kr4 s ILE 228 CO 0.03 -0.27 0.91 0.20 0.24 0.00 0.00 174.94 176.05 3kr4 s ASN 229 N -2.44 7.05 0.00 4.36 0.01 -1.26 -5.03 114.94 117.63 3kr4 s ASN 229 Ca 0.12 1.29 0.03 0.00 -0.71 0.00 0.00 52.86 53.59 3kr4 s ASN 229 Cb -0.07 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 3kr4 s ASN 229 CO 0.05 -0.45 -0.09 0.68 -1.51 0.00 0.00 177.10 175.79 3kr4 s VAL 230 N 2.27 0.66 0.90 1.60 -7.23 -1.26 -4.78 120.40 112.56 3kr4 s VAL 230 Ca 0.42 -0.49 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 3kr4 s VAL 230 Cb -0.17 -0.58 0.16 0.00 0.56 0.00 0.00 36.38 36.35 3kr4 s VAL 230 CO 0.13 0.09 1.25 1.51 -0.31 0.00 0.00 175.10 177.77 3kr4 s ASP 231 N -0.45 3.61 0.24 4.85 1.47 -1.26 -4.77 116.67 120.36 3kr4 s ASP 231 Ca 0.01 0.34 -0.06 0.00 1.18 0.00 0.00 52.55 54.02 3kr4 s ASP 231 Cb -0.04 -0.54 0.25 0.00 -0.34 0.00 0.00 42.92 42.24 3kr4 s ASP 231 CO -0.00 -2.42 1.91 0.11 0.68 0.00 0.00 175.17 175.45 3kr4 h LYS 232 N -1.37 1.31 -0.60 2.11 1.57 -1.99 0.65 116.57 118.25 3kr4 h LYS 232 Ca -0.44 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 3kr4 h LYS 232 Cb 1.26 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3kr4 h LYS 232 CO 0.46 0.88 0.06 -0.91 -0.57 0.00 0.00 179.45 179.37 3kr4 h ASN 233 N 1.34 0.99 -0.26 0.86 2.35 -1.93 -0.55 115.58 118.38 3kr4 h ASN 233 Ca 0.36 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3kr4 h ASN 233 Cb -0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 3kr4 h ASN 233 CO -0.07 1.02 -0.34 0.25 -1.65 0.00 0.00 177.43 176.64 3kr4 h LEU 234 N 0.92 0.82 -0.15 1.61 5.85 -1.79 -0.62 115.31 121.95 3kr4 h LEU 234 Ca 0.18 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3kr4 h LEU 234 Cb 0.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3kr4 h LEU 234 CO 0.02 1.08 0.01 0.15 -0.34 0.00 0.00 178.44 179.36 3kr4 h PHE 235 N 0.66 0.02 -0.96 1.25 3.57 -0.72 -0.61 116.94 120.14 3kr4 h PHE 235 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3kr4 h PHE 235 Cb 0.88 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 3kr4 h PHE 235 CO 0.05 -0.00 0.63 -0.09 -2.23 0.00 0.00 178.31 176.66 3kr4 h ARG 236 N 0.07 1.22 -0.75 1.11 2.43 -0.88 -2.44 114.38 115.13 3kr4 h ARG 236 Ca 0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3kr4 h ARG 236 Cb 0.07 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3kr4 h ARG 236 CO -0.10 0.81 0.28 0.35 -1.51 0.00 0.00 179.97 179.80 3kr4 h PHE 237 N 1.26 1.16 -0.35 2.20 3.57 -0.85 -0.60 116.94 123.33 3kr4 h PHE 237 Ca 0.36 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.83 3kr4 h PHE 237 Cb -0.08 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.27 3kr4 h PHE 237 CO -0.01 0.89 0.06 0.35 -2.23 0.00 0.00 178.31 177.37 3kr4 h PHE 238 N 1.10 0.10 -0.22 0.41 3.57 -0.65 -0.84 116.94 120.41 3kr4 h PHE 238 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3kr4 h PHE 238 Cb 0.23 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kr4 h PHE 238 CO 0.02 0.01 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.04 3kr4 h LEU 239 N 0.18 0.38 -0.72 0.59 3.38 -1.03 -0.17 115.31 117.92 3kr4 h LEU 239 Ca 0.16 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3kr4 h LEU 239 Cb 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3kr4 h LEU 239 CO -0.22 0.60 0.38 -0.33 0.09 0.00 0.00 178.44 178.96 3kr4 h GLU 240 N 0.15 0.65 -0.08 1.13 5.08 -1.02 0.55 114.58 121.03 3kr4 h GLU 240 Ca 0.06 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3kr4 h GLU 240 Cb 0.40 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3kr4 h GLU 240 CO 0.01 0.43 -0.34 1.15 -1.00 0.00 0.00 179.01 179.26 3kr4 h THR 241 N 0.66 1.41 0.08 1.13 2.02 -1.06 0.20 112.91 117.36 3kr4 h THR 241 Ca 0.34 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.83 3kr4 h THR 241 Cb 0.31 2.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 3kr4 h THR 241 CO -0.24 0.50 -0.25 0.25 0.37 0.00 0.00 175.52 176.15 3kr4 h LEU 242 N -0.09 -0.72 -0.37 2.58 5.85 -0.81 0.34 115.31 122.08 3kr4 h LEU 242 Ca -0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3kr4 h LEU 242 Cb 0.98 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3kr4 h LEU 242 CO 0.07 -0.33 0.10 -0.26 -0.34 0.00 0.00 178.44 177.68 3kr4 h PHE 243 N -0.44 0.17 -0.37 1.25 0.04 -0.85 -1.20 116.94 115.55 3kr4 h PHE 243 Ca 0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3kr4 h PHE 243 Cb 0.48 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3kr4 h PHE 243 CO -0.25 0.05 0.17 -0.92 -0.60 0.00 0.00 178.31 176.76 3kr4 h TYR 244 N 0.24 0.53 -0.01 -0.55 3.20 -0.57 -2.31 116.97 117.49 3kr4 h TYR 244 Ca 0.18 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 3kr4 h TYR 244 Cb 0.18 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3kr4 h TYR 244 CO -0.17 0.46 -0.80 0.93 -1.64 0.00 0.00 178.16 176.94 3kr4 h GLU 245 N 0.45 0.14 -0.24 1.82 4.39 -0.81 -3.15 114.58 117.18 3kr4 h GLU 245 Ca 0.12 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3kr4 h GLU 245 Cb 0.14 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3kr4 h GLU 245 CO -0.01 0.87 -0.36 -0.92 -1.16 0.00 0.00 179.01 177.42 3kr4 h TYR 246 N 0.09 0.63 -2.99 4.33 3.20 -1.16 -3.44 116.97 117.62 3kr4 h TYR 246 Ca -0.03 -0.17 -0.53 0.00 3.14 0.00 0.00 58.73 61.14 3kr4 h TYR 246 Cb 1.40 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 39.54 3kr4 h TYR 246 CO 0.02 0.83 0.74 1.41 -1.64 0.00 0.00 178.16 179.51 3kr4 s MET 247 N -4.31 4.32 -0.15 1.82 1.75 -0.88 -5.02 119.30 116.84 3kr4 s MET 247 Ca -0.07 2.03 -0.01 0.00 -1.25 0.00 0.00 55.69 56.39 3kr4 s MET 247 Cb 0.13 -3.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.45 3kr4 s MET 247 CO 0.81 -0.45 -0.10 0.99 -0.65 0.00 0.00 175.02 175.62 3kr4 s THR 248 N 1.39 3.24 -0.56 10.11 2.01 -1.26 -4.99 115.64 125.59 3kr4 s THR 248 Ca 0.64 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 3kr4 s THR 248 Cb -0.35 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 69.82 3kr4 s THR 248 CO 0.29 0.50 0.87 -0.62 -0.69 0.00 0.00 174.62 174.97 3kr4 s ASP 249 N 0.57 6.28 -0.23 3.53 -1.08 -1.26 -4.89 116.67 119.60 3kr4 s ASP 249 Ca -0.06 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.50 3kr4 s ASP 249 Cb -0.15 -2.40 0.57 0.00 -1.46 0.00 0.00 42.92 39.48 3kr4 s ASP 249 CO 0.03 -1.18 1.50 -0.62 0.52 0.00 0.00 175.17 175.43 3kr4 n GLU 250 N 7.17 2.86 0.07 4.34 1.02 -1.26 -4.73 120.64 130.12 3kr4 n GLU 250 Ca -0.01 -2.97 0.04 0.00 -0.02 0.00 0.00 57.16 54.20 3kr4 n GLU 250 Cb 0.47 -1.91 0.45 0.00 -0.02 0.00 0.00 31.44 30.42 3kr4 n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kr4 h ARG 251 N 1.82 0.38 -0.17 3.49 3.08 -1.98 -2.18 114.38 118.81 3kr4 h ARG 251 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kr4 h ARG 251 Cb 1.65 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.63 3kr4 h ARG 251 CO 0.35 0.31 0.00 1.19 -1.07 0.00 0.00 179.97 180.75 3kr4 n PHE 252 N -4.44 0.20 -2.55 3.04 3.01 -1.26 -4.91 117.46 110.54 3kr4 n PHE 252 Ca 0.01 -0.11 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 3kr4 n PHE 252 Cb 0.12 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 3kr4 n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kr4 s LYS 253 N -1.64 4.60 0.00 -1.08 -0.14 -0.82 -4.95 119.74 115.71 3kr4 s LYS 253 Ca 0.30 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.58 3kr4 s LYS 253 Cb 0.19 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3kr4 s LYS 253 CO 0.28 0.22 0.00 0.45 -0.76 0.00 0.00 175.35 175.54 3kr4 n SER 254 N 1.02 0.00 0.00 2.83 2.88 -1.26 -4.86 113.62 114.23 3kr4 n SER 254 Ca -0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3kr4 n SER 254 Cb 0.46 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.54 3kr4 n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kr4 n THR 255 N -1.59 0.04 -1.72 2.46 -2.24 -1.26 -4.20 114.28 105.77 3kr4 n THR 255 Ca 0.00 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 3kr4 n THR 255 Cb 0.00 -0.52 0.18 0.00 -2.10 0.00 0.00 70.33 67.89 3kr4 n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr4 n ASP 256 N -1.48 1.75 -4.75 3.42 2.03 -1.26 -5.06 116.55 111.21 3kr4 n ASP 256 Ca 0.08 -3.68 -0.36 0.00 0.52 0.00 0.00 54.79 51.34 3kr4 n ASP 256 Cb 0.32 -0.50 0.03 0.00 -0.72 0.00 0.00 41.12 40.26 3kr4 n ASP 256 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kr4 s LYS 257 N -2.90 3.08 -0.65 -0.67 1.02 -1.26 -4.91 119.74 113.45 3kr4 s LYS 257 Ca 0.38 1.87 -0.27 0.00 0.02 0.00 0.00 55.97 57.98 3kr4 s LYS 257 Cb 0.37 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3kr4 s LYS 257 CO -0.08 -1.13 1.19 1.21 -0.92 0.00 0.00 175.35 175.62 3kr4 s ASN 258 N -1.48 6.29 0.00 2.83 3.84 -1.26 -5.11 114.94 120.05 3kr4 s ASN 258 Ca 0.75 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.56 3kr4 s ASN 258 Cb -0.32 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.85 3kr4 s ASN 258 CO 0.35 -1.61 0.17 0.55 -2.79 0.00 0.00 177.10 173.77 3kr4 n VAL 259 N 6.44 0.00 -0.82 -5.21 3.14 -1.26 -4.95 118.33 115.67 3kr4 n VAL 259 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3kr4 n VAL 259 Cb 0.49 -0.96 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 3kr4 n VAL 259 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3kr4 n MET 261 N 2.18 0.00 -4.51 1.45 1.56 -1.26 -5.21 117.12 111.33 3kr4 n MET 261 Ca 0.00 0.27 -0.24 0.00 -0.27 0.00 0.00 57.70 57.46 3kr4 n MET 261 Cb 0.00 -0.54 -0.14 0.00 2.15 0.00 0.00 33.22 34.69 3kr4 n MET 261 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3kr4 s GLU 262 N -0.25 1.24 0.10 2.12 2.02 -1.26 -5.15 118.70 117.52 3kr4 s GLU 262 Ca 0.00 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.07 3kr4 s GLU 262 Cb 0.00 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 3kr4 s GLU 262 CO 0.00 0.34 0.16 0.71 0.02 0.00 0.00 175.26 176.49 3kr4 s TYR 263 N -0.89 3.32 0.68 1.61 2.02 -1.26 -4.81 117.35 118.02 3kr4 s TYR 263 Ca 0.06 0.11 -0.17 0.00 -0.37 0.00 0.00 57.07 56.70 3kr4 s TYR 263 Cb -0.09 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3kr4 s TYR 263 CO 0.02 0.54 1.21 0.44 -1.57 0.00 0.00 175.55 176.18 3kr4 n ILE 264 N 0.07 4.16 0.28 2.71 -5.35 -1.24 -4.85 119.36 115.14 3kr4 n ILE 264 Ca -0.07 -0.44 0.11 0.00 -0.27 0.00 0.00 62.75 62.07 3kr4 n ILE 264 Cb 0.52 -1.36 -0.12 0.00 -1.74 0.00 0.00 39.64 36.94 3kr4 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr4 n LYS 265 N -2.01 0.47 -3.94 6.28 5.02 0.57 -4.70 118.16 119.86 3kr4 n LYS 265 Ca 0.15 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 3kr4 n LYS 265 Cb 0.48 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 3kr4 n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kr4 s HIS 266 N -3.36 0.13 -0.14 2.13 3.76 -1.02 -0.58 115.29 116.21 3kr4 s HIS 266 Ca -0.03 -0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3kr4 s HIS 266 Cb 0.14 -0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.75 3kr4 s HIS 266 CO 0.88 -0.01 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.48 3kr4 s LEU 267 N 0.07 1.50 -0.04 0.89 2.96 0.34 -1.71 118.68 122.69 3kr4 s LEU 267 Ca -0.00 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3kr4 s LEU 267 Cb -0.02 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3kr4 s LEU 267 CO -0.00 -0.10 0.05 -0.83 -1.32 0.00 0.00 176.35 174.15 3kr4 s GLY 268 N 1.59 1.96 -0.06 7.98 0.00 -0.40 -0.80 107.32 117.59 3kr4 s GLY 268 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3kr4 s GLY 268 CO -0.09 -0.66 -0.12 0.14 0.00 0.00 0.00 173.10 172.37 3kr4 s VAL 269 N -1.06 1.08 -0.15 1.40 1.01 0.59 -0.90 120.40 122.36 3kr4 s VAL 269 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3kr4 s VAL 269 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3kr4 s VAL 269 CO 0.08 0.34 -0.10 -0.31 0.00 0.00 0.00 175.10 175.11 3kr4 s TYR 270 N 0.65 2.87 -0.01 5.22 1.51 0.01 -0.10 117.35 127.51 3kr4 s TYR 270 Ca -0.14 -0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 55.08 3kr4 s TYR 270 Cb -0.15 -1.91 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 3kr4 s TYR 270 CO 0.03 -0.26 0.39 -1.50 -1.11 0.00 0.00 175.55 173.11 3kr4 s ILE 271 N 0.57 0.05 0.64 2.71 2.07 -0.74 -1.22 121.20 125.28 3kr4 s ILE 271 Ca -0.07 -0.41 -0.16 0.00 -1.41 0.00 0.00 60.65 58.60 3kr4 s ILE 271 Cb -0.15 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 3kr4 s ILE 271 CO 0.03 -0.23 1.13 0.20 -1.91 0.00 0.00 174.94 174.16 3kr4 s ASN 272 N -1.48 5.14 -1.44 4.50 0.01 -1.26 -1.66 114.94 118.75 3kr4 s ASN 272 Ca -0.11 2.09 -0.03 0.00 -0.71 0.00 0.00 52.86 54.10 3kr4 s ASN 272 Cb -0.03 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3kr4 s ASN 272 CO 0.03 -1.61 0.28 0.59 -1.51 0.00 0.00 177.10 174.89 3kr4 n ASN 273 N -2.17 -0.30 -0.18 -1.22 3.02 -1.26 -4.84 115.26 108.31 3kr4 n ASN 273 Ca 0.11 -1.14 0.07 0.00 -0.03 0.00 0.00 54.58 53.60 3kr4 n ASN 273 Cb 0.51 -2.38 0.37 0.00 -0.61 0.00 0.00 39.78 37.68 3kr4 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr4 h ALA 274 N 0.87 1.75 -0.45 5.41 0.00 -1.85 -2.45 119.26 122.54 3kr4 h ALA 274 Ca -0.65 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.28 3kr4 h ALA 274 Cb 1.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kr4 h ALA 274 CO 0.64 0.13 0.30 -0.44 0.00 0.00 0.00 179.25 179.88 3kr4 h ASP 275 N 0.71 0.41 1.23 0.00 3.45 -1.92 0.45 116.42 120.76 3kr4 h ASP 275 Ca 0.32 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 3kr4 h ASP 275 Cb 0.33 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3kr4 h ASP 275 CO -0.11 0.28 -0.03 0.71 -1.57 0.00 0.00 179.24 178.52 3kr4 h THR 276 N 0.48 0.07 0.00 0.35 1.35 -1.80 -3.24 112.91 110.11 3kr4 h THR 276 Ca 0.18 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3kr4 h THR 276 Cb 0.13 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3kr4 h THR 276 CO -0.04 0.03 -1.39 -1.22 -0.25 0.00 0.00 175.52 172.64 3kr4 n TYR 277 N -3.13 0.18 -0.36 4.73 4.01 0.10 -4.57 117.16 118.13 3kr4 n TYR 277 Ca 0.01 0.05 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 3kr4 n TYR 277 Cb 0.37 -0.43 0.25 0.00 -0.31 0.00 0.00 39.34 39.23 3kr4 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr4 h LYS 278 N 0.00 0.94 0.00 -0.72 1.57 -1.45 0.28 116.57 117.18 3kr4 h LYS 278 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kr4 h LYS 278 Cb 0.82 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kr4 h LYS 278 CO 0.00 0.62 0.00 0.93 -0.57 0.00 0.00 179.45 180.43 3kr4 h GLU 279 N 0.96 0.00 0.00 3.15 3.07 -1.80 -2.15 114.58 117.81 3kr4 h GLU 279 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3kr4 h GLU 279 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3kr4 h GLU 279 CO -0.27 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.27 3kr4 h GLU 280 N 0.00 0.00 0.08 2.33 4.39 -1.25 -3.32 114.58 116.82 3kr4 h GLU 280 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kr4 h GLU 280 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kr4 h GLU 280 CO 0.00 0.00 -0.04 0.28 -1.16 0.00 0.00 179.01 178.09 3kr4 h VAL 281 N 0.00 1.16 -0.02 3.13 2.07 -1.51 0.13 116.25 121.21 3kr4 h VAL 281 Ca 0.00 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 3kr4 h VAL 281 Cb 0.70 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3kr4 h VAL 281 CO 0.00 0.24 -0.67 -0.33 0.02 0.00 0.00 177.57 176.83 3kr4 h GLU 282 N -0.58 0.11 -0.57 1.57 4.39 -1.77 -1.60 114.58 116.13 3kr4 h GLU 282 Ca -0.01 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3kr4 h GLU 282 Cb 0.48 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3kr4 h GLU 282 CO 0.02 0.74 0.38 -0.22 -1.16 0.00 0.00 179.01 178.77 3kr4 h LYS 283 N 0.08 0.75 -0.81 2.33 3.64 -1.64 -1.05 116.57 119.87 3kr4 h LYS 283 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kr4 h LYS 283 Cb 1.19 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3kr4 h LYS 283 CO 0.10 0.49 0.50 0.00 -2.27 0.00 0.00 179.45 178.27 3kr4 h ALA 284 N 1.21 1.36 -0.37 5.00 0.00 -0.38 -1.27 119.26 124.82 3kr4 h ALA 284 Ca 0.21 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3kr4 h ALA 284 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3kr4 h ALA 284 CO -0.05 0.56 -0.23 -0.09 0.00 0.00 0.00 179.25 179.44 3kr4 h ARG 285 N 1.11 0.73 -0.13 0.00 2.43 -0.64 0.10 114.38 117.98 3kr4 h ARG 285 Ca 0.29 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3kr4 h ARG 285 Cb -0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kr4 h ARG 285 CO -0.06 0.90 -0.00 0.28 -1.51 0.00 0.00 179.97 179.58 3kr4 h VAL 286 N 0.64 1.25 -0.72 0.20 2.07 -0.93 -2.52 116.25 116.25 3kr4 h VAL 286 Ca 0.09 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3kr4 h VAL 286 Cb 0.73 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3kr4 h VAL 286 CO 0.06 0.24 0.32 1.88 0.02 0.00 0.00 177.57 180.09 3kr4 h TYR 287 N -0.03 1.06 -0.32 1.57 -1.99 -1.10 -0.70 116.97 115.46 3kr4 h TYR 287 Ca 0.04 -0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.77 3kr4 h TYR 287 Cb 0.37 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 38.71 3kr4 h TYR 287 CO 0.03 0.80 -0.14 -0.92 -0.00 0.00 0.00 178.16 177.93 3kr4 h TYR 288 N 1.02 -0.34 -0.38 4.88 3.20 -0.85 -1.64 116.97 122.86 3kr4 h TYR 288 Ca 0.24 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.01 3kr4 h TYR 288 Cb 0.16 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3kr4 h TYR 288 CO 0.01 -0.21 -0.30 0.35 -1.64 0.00 0.00 178.16 176.37 3kr4 h PHE 289 N -0.09 0.97 -1.00 -3.82 3.57 -0.90 0.27 116.94 115.94 3kr4 h PHE 289 Ca 0.16 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.42 3kr4 h PHE 289 Cb 0.34 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3kr4 h PHE 289 CO -0.35 1.02 0.66 0.78 -2.23 0.00 0.00 178.31 178.19 3kr4 h GLY 290 N 0.91 1.42 0.87 2.40 0.00 -1.05 0.25 103.07 107.88 3kr4 h GLY 290 Ca 0.08 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3kr4 h GLY 290 CO 0.07 0.50 -0.07 -0.84 0.00 0.00 0.00 176.54 176.20 3kr4 h THR 291 N 1.34 1.28 -0.01 4.70 2.02 -0.84 -1.84 112.91 119.57 3kr4 h THR 291 Ca 0.37 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 3kr4 h THR 291 Cb -0.13 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3kr4 h THR 291 CO -0.09 0.35 -0.46 0.22 0.37 0.00 0.00 175.52 175.91 3kr4 h TYR 292 N 0.29 0.02 -0.05 3.16 3.20 -0.07 -0.06 116.97 123.46 3kr4 h TYR 292 Ca 0.07 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3kr4 h TYR 292 Cb 0.55 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kr4 h TYR 292 CO 0.05 0.47 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.11 3kr4 h TYR 293 N 0.01 0.10 -0.31 -3.82 3.20 -0.37 0.06 116.97 115.84 3kr4 h TYR 293 Ca -0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3kr4 h TYR 293 Cb 0.82 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 3kr4 h TYR 293 CO 0.00 0.45 -0.02 0.00 -1.64 0.00 0.00 178.16 176.95 3kr4 h ALA 294 N 0.64 0.26 -0.76 1.82 0.00 -1.15 -2.14 119.26 117.92 3kr4 h ALA 294 Ca 0.01 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kr4 h ALA 294 Cb 0.42 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3kr4 h ALA 294 CO 0.01 -0.42 0.41 1.03 0.00 0.00 0.00 179.25 180.28 3kr4 h SER 295 N 0.07 0.58 -0.86 0.00 0.87 -0.86 0.14 113.55 113.48 3kr4 h SER 295 Ca 0.15 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3kr4 h SER 295 Cb 0.21 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3kr4 h SER 295 CO -0.27 0.33 0.45 1.56 -0.53 0.00 0.00 176.83 178.37 3kr4 h GLN 296 N 0.70 1.21 -0.33 2.24 4.20 -0.44 0.12 115.11 122.81 3kr4 h GLN 296 Ca 0.37 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3kr4 h GLN 296 Cb 0.35 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kr4 h GLN 296 CO -0.25 0.90 0.02 -0.07 -0.67 0.00 0.00 178.83 178.76 3kr4 h LEU 297 N 1.20 0.55 -0.13 1.46 3.38 -0.72 -2.13 115.31 118.94 3kr4 h LEU 297 Ca 0.30 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kr4 h LEU 297 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kr4 h LEU 297 CO -0.04 0.71 0.02 0.40 0.09 0.00 0.00 178.44 179.61 3kr4 h ILE 298 N 0.38 1.23 0.00 1.22 2.04 -0.33 -2.95 117.51 119.09 3kr4 h ILE 298 Ca 0.09 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3kr4 h ILE 298 Cb 0.42 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3kr4 h ILE 298 CO 0.01 0.21 -0.06 0.00 0.00 0.00 0.00 178.15 178.32 3kr4 h ALA 299 N 0.79 1.05 -2.56 1.87 0.00 -0.82 -3.41 119.26 116.17 3kr4 h ALA 299 Ca 0.04 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3kr4 h ALA 299 Cb 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kr4 h ALA 299 CO 0.00 0.07 0.93 0.00 0.00 0.00 0.00 179.25 180.25 3kr4 s ALA 300 N -3.83 3.76 0.91 0.00 0.00 -0.80 -4.95 121.76 116.85 3kr4 s ALA 300 Ca -0.01 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3kr4 s ALA 300 Cb 0.10 -3.65 0.14 0.00 0.00 0.00 0.00 23.12 19.71 3kr4 s ALA 300 CO 0.55 -0.90 1.09 -2.14 0.00 0.00 0.00 175.76 174.36 3kr4 s PRO 301 N 1.65 1.14 0.53 0.00 0.02 -1.26 -4.59 135.00 132.49 3kr4 s PRO 301 Ca 0.72 0.95 0.30 0.00 0.02 0.00 0.00 61.00 62.99 3kr4 s PRO 301 Cb -0.43 -1.79 1.39 0.00 0.02 0.00 0.00 34.50 33.70 3kr4 s PRO 301 CO 0.32 -2.36 2.01 0.77 -0.33 0.00 0.00 177.00 177.41 3kr4 h SER 302 N -1.64 0.00 0.77 2.53 0.02 -1.81 0.20 113.55 113.62 3kr4 h SER 302 Ca -0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3kr4 h SER 302 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3kr4 h SER 302 CO 0.52 0.10 -0.25 -0.55 -1.14 0.00 0.00 176.83 175.51 3kr4 h ASN 303 N 0.00 0.00 0.07 3.07 -1.07 -1.93 -3.29 115.58 112.43 3kr4 h ASN 303 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 3kr4 h ASN 303 Cb 0.47 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.68 3kr4 h ASN 303 CO 0.01 0.25 -1.96 -1.22 0.07 0.00 0.00 177.43 174.58 3kr4 n TYR 304 N -3.50 0.90 -3.71 4.14 4.01 0.22 -4.53 117.16 114.69 3kr4 n TYR 304 Ca -0.00 0.24 -0.37 0.00 -0.16 0.00 0.00 57.90 57.60 3kr4 n TYR 304 Cb 0.41 -1.11 -0.10 0.00 -0.31 0.00 0.00 39.34 38.23 3kr4 n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kr4 s ASN 306 N 1.38 4.04 0.38 0.00 2.20 -1.25 -4.36 114.94 117.34 3kr4 s ASN 306 Ca 0.12 -1.67 0.13 0.00 -0.94 0.00 0.00 52.86 50.50 3kr4 s ASN 306 Cb -0.22 0.57 0.77 0.00 -2.00 0.00 0.00 41.25 40.37 3kr4 s ASN 306 CO -0.04 -0.88 1.85 -0.65 -2.94 0.00 0.00 177.10 174.44 3kr4 h PRO 307 N 1.36 0.00 -0.03 3.55 0.11 -1.87 -0.32 132.00 134.80 3kr4 h PRO 307 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3kr4 h PRO 307 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3kr4 h PRO 307 CO 0.72 0.35 -0.14 0.28 -0.21 0.00 0.00 178.00 179.00 3kr4 h VAL 308 N 0.00 1.48 0.00 3.15 2.07 -1.94 -2.51 116.25 118.49 3kr4 h VAL 308 Ca -0.00 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 3kr4 h VAL 308 Cb 0.62 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3kr4 h VAL 308 CO 0.04 0.44 -0.48 0.77 0.02 0.00 0.00 177.57 178.37 3kr4 h SER 309 N -0.43 0.00 -0.09 0.57 4.64 -1.81 -0.94 113.55 115.49 3kr4 h SER 309 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 3kr4 h SER 309 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3kr4 h SER 309 CO 0.03 0.48 -0.77 0.25 -0.87 0.00 0.00 176.83 175.94 3kr4 h LEU 310 N 0.00 0.83 -0.90 5.97 5.85 -1.13 -1.33 115.31 124.61 3kr4 h LEU 310 Ca -0.00 -0.67 -0.09 0.00 0.84 0.00 0.00 57.88 57.95 3kr4 h LEU 310 Cb 0.91 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3kr4 h LEU 310 CO 0.06 1.38 -0.15 0.77 -0.34 0.00 0.00 178.44 180.16 3kr4 h SER 311 N 0.35 0.64 -0.60 1.25 4.64 -1.38 -1.60 113.55 116.84 3kr4 h SER 311 Ca -0.07 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3kr4 h SER 311 Cb 1.42 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 3kr4 h SER 311 CO 0.16 0.81 0.40 0.78 -0.87 0.00 0.00 176.83 178.10 3kr4 h ASN 312 N 0.58 0.69 -0.76 4.97 2.35 -1.13 -0.00 115.58 122.28 3kr4 h ASN 312 Ca 0.10 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3kr4 h ASN 312 Cb 0.59 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 3kr4 h ASN 312 CO 0.04 0.50 0.48 0.00 -1.65 0.00 0.00 177.43 176.80 3kr4 h ALA 313 N 1.22 0.99 -0.83 -0.83 0.00 -1.05 -1.18 119.26 117.58 3kr4 h ALA 313 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kr4 h ALA 313 Cb -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3kr4 h ALA 313 CO -0.05 0.29 0.43 0.00 0.00 0.00 0.00 179.25 179.92 3kr4 h ALA 314 N 1.32 1.07 -0.46 0.00 0.00 -0.77 -0.32 119.26 120.10 3kr4 h ALA 314 Ca 0.30 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3kr4 h ALA 314 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 3kr4 h ALA 314 CO -0.11 0.60 0.20 0.28 0.00 0.00 0.00 179.25 180.23 3kr4 h VAL 315 N 1.17 0.92 -0.74 0.00 2.07 -0.55 -1.19 116.25 117.93 3kr4 h VAL 315 Ca 0.29 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 3kr4 h VAL 315 Cb 0.07 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kr4 h VAL 315 CO -0.04 0.07 0.32 -0.08 0.02 0.00 0.00 177.57 177.86 3kr4 h GLU 316 N 0.40 1.09 -0.61 1.57 4.81 -0.73 -1.36 114.58 119.76 3kr4 h GLU 316 Ca 0.21 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3kr4 h GLU 316 Cb 0.15 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3kr4 h GLU 316 CO -0.17 0.88 0.15 1.25 -0.73 0.00 0.00 179.01 180.40 3kr4 h LEU 317 N 1.06 0.92 -0.79 1.64 5.85 -0.70 -1.73 115.31 121.56 3kr4 h LEU 317 Ca 0.25 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kr4 h LEU 317 Cb 0.18 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3kr4 h LEU 317 CO -0.02 0.91 0.34 0.00 -0.34 0.00 0.00 178.44 179.33 3kr4 h ALA 318 N 1.05 1.02 -0.80 1.25 0.00 -0.77 -0.88 119.26 120.11 3kr4 h ALA 318 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kr4 h ALA 318 Cb 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kr4 h ALA 318 CO 0.00 0.62 0.34 1.96 0.00 0.00 0.00 179.25 182.16 3kr4 h GLN 319 N 1.13 1.19 -0.21 0.00 4.20 -1.01 0.18 115.11 120.59 3kr4 h GLN 319 Ca 0.27 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3kr4 h GLN 319 Cb 0.17 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3kr4 h GLN 319 CO -0.03 0.95 -0.36 0.87 -0.67 0.00 0.00 178.83 179.59 3kr4 h LYS 320 N 1.17 0.46 -0.02 1.46 1.57 -0.96 -3.22 116.57 117.03 3kr4 h LYS 320 Ca 0.27 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kr4 h LYS 320 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kr4 h LYS 320 CO -0.02 0.76 -0.04 1.28 -0.57 0.00 0.00 179.45 180.86 3kr4 n LEU 321 N -4.05 2.51 -3.43 2.94 4.77 -0.37 -4.96 117.00 114.41 3kr4 n LEU 321 Ca -0.01 -0.84 -0.24 0.00 -0.03 0.00 0.00 56.01 54.89 3kr4 n LEU 321 Cb 0.48 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3kr4 n LEU 321 CO 0.43 0.42 0.17 0.59 -1.33 0.00 0.00 177.39 177.67 3kr4 n ASN 322 N 0.91 -6.29 -4.88 -1.43 3.02 0.50 -4.94 115.26 102.16 3kr4 n ASN 322 Ca 0.15 -0.47 -0.32 0.00 -0.03 0.00 0.00 54.58 53.91 3kr4 n ASN 322 Cb 0.52 -4.98 -0.05 0.00 -0.61 0.00 0.00 39.78 34.66 3kr4 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kr4 s LEU 323 N -7.13 4.18 0.66 3.41 1.43 -0.38 -5.02 118.68 115.84 3kr4 s LEU 323 Ca 0.50 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 3kr4 s LEU 323 Cb -0.22 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3kr4 s LEU 323 CO 0.62 -0.05 1.10 -1.61 0.23 0.00 0.00 176.35 176.64 3kr4 s GLU 324 N -2.82 2.82 -0.04 1.70 2.02 -0.48 -4.59 118.70 117.30 3kr4 s GLU 324 Ca 0.46 1.35 -0.20 0.00 0.02 0.00 0.00 54.97 56.60 3kr4 s GLU 324 Cb -0.11 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.20 3kr4 s GLU 324 CO 0.22 -1.23 0.44 1.52 0.02 0.00 0.00 175.26 176.23 3kr4 s TYR 325 N -2.40 -0.36 -0.05 1.61 -0.85 -1.26 -1.37 117.35 112.67 3kr4 s TYR 325 Ca 0.66 0.62 -0.03 0.00 -0.52 0.00 0.00 57.07 57.80 3kr4 s TYR 325 Cb -0.20 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.37 3kr4 s TYR 325 CO 0.42 -0.44 0.11 0.21 -1.52 0.00 0.00 175.55 174.33 3kr4 s LYS 326 N -1.14 0.08 -0.27 -3.49 2.20 0.30 -5.01 119.74 112.40 3kr4 s LYS 326 Ca -0.12 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.69 3kr4 s LYS 326 Cb -0.03 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 3kr4 s LYS 326 CO 0.06 -0.11 0.05 0.42 -0.36 0.00 0.00 175.35 175.40 3kr4 s ILE 327 N 0.78 3.85 -0.08 5.43 -1.09 -1.26 -1.02 121.20 127.81 3kr4 s ILE 327 Ca -0.06 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 57.53 3kr4 s ILE 327 Cb -0.08 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 3kr4 s ILE 327 CO -0.03 0.19 0.70 -0.76 -1.23 0.00 0.00 174.94 173.81 3kr4 s LEU 328 N 1.50 4.29 0.56 2.97 1.02 -0.39 -4.89 118.68 123.74 3kr4 s LEU 328 Ca 0.04 1.16 0.09 0.00 0.02 0.00 0.00 54.13 55.44 3kr4 s LEU 328 Cb -0.16 -3.08 0.08 0.00 0.02 0.00 0.00 46.19 43.05 3kr4 s LEU 328 CO 0.01 -0.15 0.75 -0.83 0.02 0.00 0.00 176.35 176.16 3kr4 s GLY 329 N 0.85 1.77 0.41 -3.19 0.00 -1.26 -0.73 107.32 105.17 3kr4 s GLY 329 Ca 0.37 -2.07 0.07 0.00 0.00 0.00 0.00 44.72 43.09 3kr4 s GLY 329 CO 0.17 -1.67 2.04 -0.39 0.00 0.00 0.00 173.10 173.25 3kr4 h VAL 330 N 0.25 1.11 -0.14 1.40 -1.51 -1.96 -0.93 116.25 114.46 3kr4 h VAL 330 Ca -0.31 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 3kr4 h VAL 330 Cb 1.29 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 3kr4 h VAL 330 CO 0.42 0.12 0.03 0.50 -1.23 0.00 0.00 177.57 177.41 3kr4 h LYS 331 N 0.54 0.23 -0.66 5.19 3.64 -1.96 0.25 116.57 123.80 3kr4 h LYS 331 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3kr4 h LYS 331 Cb -0.02 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3kr4 h LYS 331 CO -0.03 0.39 0.24 1.49 -2.27 0.00 0.00 179.45 179.27 3kr4 h GLU 332 N 0.02 0.98 -0.48 1.90 4.81 -1.81 -1.95 114.58 118.07 3kr4 h GLU 332 Ca 0.04 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 3kr4 h GLU 332 Cb 0.27 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3kr4 h GLU 332 CO 0.00 0.82 0.09 -0.07 -0.73 0.00 0.00 179.01 179.12 3kr4 h LEU 333 N 0.96 0.68 -0.48 1.64 3.38 -0.71 -1.11 115.31 119.67 3kr4 h LEU 333 Ca 0.22 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kr4 h LEU 333 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kr4 h LEU 333 CO -0.02 0.69 -0.08 -0.33 0.09 0.00 0.00 178.44 178.80 3kr4 h GLU 334 N 0.70 0.90 -0.74 1.13 5.08 -0.18 -2.30 114.58 119.18 3kr4 h GLU 334 Ca 0.15 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3kr4 h GLU 334 Cb 0.30 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3kr4 h GLU 334 CO 0.00 0.98 0.46 1.49 -1.00 0.00 0.00 179.01 180.94 3kr4 h GLU 335 N 0.75 0.99 -0.02 2.33 4.57 -1.08 0.56 114.58 122.67 3kr4 h GLU 335 Ca 0.13 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3kr4 h GLU 335 Cb 0.62 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3kr4 h GLU 335 CO 0.04 0.68 0.00 1.28 -1.18 0.00 0.00 179.01 179.83 3kr4 n LEU 336 N -4.40 0.36 -2.98 1.64 4.77 -0.44 -4.93 117.00 111.00 3kr4 n LEU 336 Ca 0.08 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 3kr4 n LEU 336 Cb 0.05 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3kr4 n LEU 336 CO 0.37 0.07 -0.03 0.29 -1.33 0.00 0.00 177.39 176.75 3kr4 n LYS 337 N -0.65 -4.44 -1.46 3.23 5.02 0.19 -4.69 118.16 115.36 3kr4 n LYS 337 Ca 0.19 0.88 -0.40 0.00 -2.02 0.00 0.00 58.31 56.97 3kr4 n LYS 337 Cb 0.15 -5.71 -0.02 0.00 -0.02 0.00 0.00 35.03 29.43 3kr4 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr4 n MET 338 N -3.90 2.95 0.18 1.97 2.81 -0.91 -2.39 117.12 117.83 3kr4 n MET 338 Ca -0.12 -2.30 0.04 0.00 -1.81 0.00 0.00 57.70 53.51 3kr4 n MET 338 Cb 0.62 -3.03 0.32 0.00 -0.71 0.00 0.00 33.22 30.43 3kr4 n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kr4 h GLY 339 N 9.24 0.00 0.41 3.03 0.00 -1.70 -0.67 103.07 113.38 3kr4 h GLY 339 Ca 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.98 3kr4 h GLY 339 CO 1.83 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 178.37 3kr4 h ALA 340 N 1.59 0.00 -0.17 3.60 0.00 -1.84 -1.67 119.26 120.77 3kr4 h ALA 340 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kr4 h ALA 340 Cb 0.89 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kr4 h ALA 340 CO 0.05 -0.20 0.07 -0.92 0.00 0.00 0.00 179.25 178.26 3kr4 h TYR 341 N -0.59 0.25 -0.63 0.00 3.20 -1.65 -2.95 116.97 114.60 3kr4 h TYR 341 Ca -0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3kr4 h TYR 341 Cb 0.59 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3kr4 h TYR 341 CO 0.13 0.30 0.42 -0.07 -1.64 0.00 0.00 178.16 177.30 3kr4 h LEU 342 N 0.13 0.64 -0.77 2.82 3.38 -1.16 -2.86 115.31 117.49 3kr4 h LEU 342 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kr4 h LEU 342 Cb 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kr4 h LEU 342 CO -0.01 0.44 0.26 0.28 0.09 0.00 0.00 178.44 179.50 3kr4 h SER 343 N 0.74 1.10 -0.90 -0.43 0.02 -1.13 -2.74 113.55 110.21 3kr4 h SER 343 Ca 0.25 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3kr4 h SER 343 Cb 0.09 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 3kr4 h SER 343 CO -0.07 1.01 0.57 0.58 -1.14 0.00 0.00 176.83 177.77 3kr4 h VAL 344 N 1.14 1.24 -0.00 2.27 2.07 -1.38 -2.76 116.25 118.82 3kr4 h VAL 344 Ca 0.25 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kr4 h VAL 344 Cb 0.29 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3kr4 h VAL 344 CO -0.01 0.25 -0.01 0.61 0.02 0.00 0.00 177.57 178.42 3kr4 n GLY 345 N -1.28 -0.98 0.32 2.17 0.00 -1.06 -4.29 105.19 100.07 3kr4 n GLY 345 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 3kr4 n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kr4 h LYS 346 N 0.26 0.84 0.00 1.61 1.57 -1.21 -1.31 116.57 118.32 3kr4 h LYS 346 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3kr4 h LYS 346 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kr4 h LYS 346 CO 0.00 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 3kr4 n GLY 347 N -1.10 -1.14 3.86 3.86 0.00 -1.25 -4.52 105.19 104.90 3kr4 n GLY 347 Ca 0.05 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3kr4 n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr4 s SER 348 N -2.67 6.69 0.11 1.61 0.15 -0.50 -4.64 113.70 114.45 3kr4 s SER 348 Ca 0.20 1.00 0.24 0.00 0.70 0.00 0.00 55.95 58.09 3kr4 s SER 348 Cb 0.16 -2.26 0.93 0.00 -1.71 0.00 0.00 66.02 63.15 3kr4 s SER 348 CO 0.39 -0.05 1.74 1.15 1.20 0.00 0.00 173.24 177.67 3kr4 n MET 349 N 0.06 0.12 -3.51 5.44 0.00 -1.26 -4.71 117.12 113.25 3kr4 n MET 349 Ca -0.01 0.20 -0.38 0.00 0.00 0.00 0.00 57.70 57.52 3kr4 n MET 349 Cb 0.52 -1.66 -0.09 0.00 0.00 0.00 0.00 33.22 31.99 3kr4 n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kr4 s TYR 350 N -3.09 3.31 0.34 3.17 1.51 -1.26 -4.88 117.35 116.43 3kr4 s TYR 350 Ca 0.10 0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 56.24 3kr4 s TYR 350 Cb 0.13 -2.42 -0.12 0.00 -0.11 0.00 0.00 41.96 39.44 3kr4 s TYR 350 CO 0.46 -0.04 1.38 -2.30 -1.11 0.00 0.00 175.55 173.94 3kr4 n PRO 351 N 4.64 2.30 -1.62 -1.71 -0.02 -1.26 -4.80 135.00 132.53 3kr4 n PRO 351 Ca -0.12 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3kr4 n PRO 351 Cb 0.51 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3kr4 n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kr4 n ASN 352 N 0.95 1.39 -3.78 2.55 4.13 -1.26 -4.50 115.26 114.74 3kr4 n ASN 352 Ca 0.05 1.06 -0.23 0.00 1.68 0.00 0.00 54.58 57.14 3kr4 n ASN 352 Cb 0.36 -1.36 -0.17 0.00 -1.54 0.00 0.00 39.78 37.07 3kr4 n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kr4 s LYS 353 N -1.96 0.69 -0.27 3.52 -0.14 -1.11 -4.05 119.74 116.42 3kr4 s LYS 353 Ca 0.62 0.08 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 3kr4 s LYS 353 Cb -0.57 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.51 3kr4 s LYS 353 CO 0.58 -0.30 0.29 0.12 -0.76 0.00 0.00 175.35 175.28 3kr4 s PHE 354 N 1.94 3.25 -0.10 3.18 2.19 0.10 -1.92 117.98 126.62 3kr4 s PHE 354 Ca 0.05 0.30 -0.21 0.00 0.33 0.00 0.00 56.93 57.40 3kr4 s PHE 354 Cb -0.12 -2.47 -0.04 0.00 -1.31 0.00 0.00 43.02 39.08 3kr4 s PHE 354 CO -0.05 -0.16 0.61 0.42 1.83 0.00 0.00 175.22 177.86 3kr4 s ILE 355 N 1.82 5.10 -0.30 3.12 1.01 0.42 -1.27 121.20 131.11 3kr4 s ILE 355 Ca 0.12 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 3kr4 s ILE 355 Cb -0.16 -3.94 0.10 0.00 0.01 0.00 0.00 42.46 38.47 3kr4 s ILE 355 CO 0.10 0.27 0.10 -2.28 0.00 0.00 0.00 174.94 173.12 3kr4 s HIS 356 N 0.84 1.40 0.02 3.97 2.46 -0.19 -1.70 115.29 122.10 3kr4 s HIS 356 Ca 0.32 -1.51 0.00 0.00 0.47 0.00 0.00 55.06 54.35 3kr4 s HIS 356 Cb -0.16 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.74 3kr4 s HIS 356 CO 0.14 -0.85 0.09 -0.51 -2.47 0.00 0.00 174.74 171.15 3kr4 s LEU 357 N 1.72 3.92 -0.06 8.88 1.43 0.70 -0.54 118.68 134.74 3kr4 s LEU 357 Ca 0.09 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3kr4 s LEU 357 Cb -0.17 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.67 3kr4 s LEU 357 CO -0.26 0.24 -0.08 -0.89 0.23 0.00 0.00 176.35 175.58 3kr4 s THR 358 N -1.28 0.85 -0.21 5.49 2.01 -0.47 -0.19 115.64 121.85 3kr4 s THR 358 Ca 0.26 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3kr4 s THR 358 Cb -0.12 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3kr4 s THR 358 CO 0.17 0.30 0.09 -0.47 -0.69 0.00 0.00 174.62 174.02 3kr4 s TYR 359 N 0.84 3.23 -0.04 4.92 5.04 -0.20 -1.38 117.35 129.75 3kr4 s TYR 359 Ca -0.12 0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.56 3kr4 s TYR 359 Cb -0.15 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 40.00 3kr4 s TYR 359 CO 0.01 0.03 -0.16 -1.59 -1.34 0.00 0.00 175.55 172.50 3kr4 s LYS 360 N 0.80 1.73 0.52 4.97 0.00 -1.26 -0.34 119.74 126.16 3kr4 s LYS 360 Ca 0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 55.97 55.23 3kr4 s LYS 360 Cb -0.13 -1.51 -0.06 0.00 0.00 0.00 0.00 37.83 36.13 3kr4 s LYS 360 CO 0.02 0.22 1.19 -1.12 0.00 0.00 0.00 175.35 175.67 3kr4 s SER 361 N 0.08 5.70 0.41 0.03 0.01 -0.33 -4.94 113.70 114.66 3kr4 s SER 361 Ca -0.04 2.35 0.22 0.00 1.31 0.00 0.00 55.95 59.79 3kr4 s SER 361 Cb -0.12 -2.60 0.75 0.00 0.21 0.00 0.00 66.02 64.27 3kr4 s SER 361 CO 0.02 -1.24 1.76 0.07 0.41 0.00 0.00 173.24 174.26 3kr4 h LYS 362 N 1.48 0.00 0.00 12.44 -0.00 -1.90 -3.46 116.57 125.13 3kr4 h LYS 362 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3kr4 h LYS 362 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 3kr4 h LYS 362 CO 0.58 0.28 0.00 0.41 -0.00 0.00 0.00 179.45 180.71 3kr4 n GLY 363 N 0.33 0.14 3.66 0.07 0.00 -1.26 -4.97 105.19 103.15 3kr4 n GLY 363 Ca 0.00 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3kr4 n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kr4 s ASP 364 N -1.04 7.08 -0.03 1.61 3.84 -1.26 -4.90 116.67 121.96 3kr4 s ASP 364 Ca 0.00 1.35 -0.30 0.00 -0.00 0.00 0.00 52.55 53.60 3kr4 s ASP 364 Cb 0.00 -2.54 -0.05 0.00 -1.38 0.00 0.00 42.92 38.95 3kr4 s ASP 364 CO 0.00 -0.70 1.51 -0.69 -0.00 0.00 0.00 175.17 175.30 3kr4 s VAL 365 N 3.26 3.64 -0.49 2.11 1.01 -1.26 -4.29 120.40 124.38 3kr4 s VAL 365 Ca 0.44 0.92 0.11 0.00 0.00 0.00 0.00 61.98 63.45 3kr4 s VAL 365 Cb -0.15 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 3kr4 s VAL 365 CO 0.07 -0.04 0.45 0.29 0.00 0.00 0.00 175.10 175.88 3kr4 n LYS 366 N 6.22 3.12 -3.71 2.72 5.02 0.72 -4.94 118.16 127.30 3kr4 n LYS 366 Ca 0.15 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 3kr4 n LYS 366 Cb 0.43 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 3kr4 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr4 s LYS 367 N -2.10 0.49 -0.10 1.97 2.47 -1.12 -5.03 119.74 116.32 3kr4 s LYS 367 Ca 0.04 0.70 0.04 0.00 -1.56 0.00 0.00 55.97 55.18 3kr4 s LYS 367 Cb 0.08 0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.62 3kr4 s LYS 367 CO 0.46 -0.10 -0.22 0.15 0.16 0.00 0.00 175.35 175.80 3kr4 s LYS 368 N 0.66 2.89 -0.04 4.03 1.02 -1.26 -1.40 119.74 125.63 3kr4 s LYS 368 Ca -0.03 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.15 3kr4 s LYS 368 Cb -0.05 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3kr4 s LYS 368 CO -0.04 0.14 -0.09 0.42 -0.92 0.00 0.00 175.35 174.86 3kr4 s ILE 369 N 0.43 0.82 -0.17 2.17 1.01 -0.42 -0.36 121.20 124.69 3kr4 s ILE 369 Ca -0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3kr4 s ILE 369 Cb -0.17 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 3kr4 s ILE 369 CO 0.07 0.28 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 3kr4 s ALA 370 N 0.57 3.02 -0.23 9.38 0.00 -0.29 -0.21 121.76 134.00 3kr4 s ALA 370 Ca -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3kr4 s ALA 370 Cb -0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 3kr4 s ALA 370 CO 0.01 0.14 -0.01 -0.51 0.00 0.00 0.00 175.76 175.39 3kr4 s LEU 371 N 0.49 3.04 -0.14 0.00 1.43 0.39 -1.42 118.68 122.47 3kr4 s LEU 371 Ca -0.03 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3kr4 s LEU 371 Cb -0.14 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3kr4 s LEU 371 CO 0.03 -0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.77 3kr4 s VAL 372 N 1.51 3.10 -0.00 -1.59 1.01 -0.17 -0.68 120.40 123.58 3kr4 s VAL 372 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3kr4 s VAL 372 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kr4 s VAL 372 CO -0.02 0.51 -0.22 -0.83 0.00 0.00 0.00 175.10 174.55 3kr4 s GLY 373 N 0.51 1.07 0.10 4.51 0.00 -0.57 -0.04 107.32 112.91 3kr4 s GLY 373 Ca -0.08 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 3kr4 s GLY 373 CO 0.04 -0.82 1.21 1.25 0.00 0.00 0.00 173.10 174.78 3kr4 s LYS 374 N -0.63 4.44 -0.41 2.90 2.20 -0.72 -4.16 119.74 123.37 3kr4 s LYS 374 Ca 0.08 1.82 0.08 0.00 -0.36 0.00 0.00 55.97 57.60 3kr4 s LYS 374 Cb -0.08 -3.31 0.43 0.00 -1.51 0.00 0.00 37.83 33.36 3kr4 s LYS 374 CO -0.00 -0.22 1.07 0.41 -0.36 0.00 0.00 175.35 176.25 3kr4 n GLY 375 N 2.95 4.82 3.54 5.54 0.00 -1.26 -1.49 105.19 119.30 3kr4 n GLY 375 Ca 0.08 -2.38 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3kr4 n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr4 s ILE 376 N -4.90 5.01 -0.08 -0.61 -1.09 -0.88 -1.73 121.20 116.91 3kr4 s ILE 376 Ca 0.42 0.18 0.16 0.00 -2.23 0.00 0.00 60.65 59.18 3kr4 s ILE 376 Cb 0.42 -4.00 0.09 0.00 -1.58 0.00 0.00 42.46 37.38 3kr4 s ILE 376 CO -0.13 -0.30 1.52 0.71 -1.23 0.00 0.00 174.94 175.52 3kr4 h THR 377 N 5.66 0.84 -2.62 2.92 1.35 -1.43 -0.85 112.91 118.79 3kr4 h THR 377 Ca -0.27 -2.03 -0.11 0.00 -0.55 0.00 0.00 66.41 63.45 3kr4 h THR 377 Cb 1.12 2.30 -0.26 0.00 -1.73 0.00 0.00 68.15 69.57 3kr4 h THR 377 CO 0.79 0.45 -0.29 0.12 -0.25 0.00 0.00 175.52 176.34 3kr4 s PHE 378 N -3.11 -0.62 -0.58 4.73 5.36 -1.26 -4.31 117.98 118.19 3kr4 s PHE 378 Ca 0.03 1.32 -0.07 0.00 -0.96 0.00 0.00 56.93 57.25 3kr4 s PHE 378 Cb 0.08 0.28 0.15 0.00 -0.34 0.00 0.00 43.02 43.19 3kr4 s PHE 378 CO 0.73 -0.35 0.43 0.34 -1.46 0.00 0.00 175.22 174.91 3kr4 s ASP 379 N 1.45 5.70 0.17 6.13 2.15 -1.19 -0.87 116.67 130.20 3kr4 s ASP 379 Ca -0.09 -2.36 0.25 0.00 0.43 0.00 0.00 52.55 50.78 3kr4 s ASP 379 Cb -0.08 -1.98 0.91 0.00 -0.30 0.00 0.00 42.92 41.47 3kr4 s ASP 379 CO -0.13 -0.56 1.75 -1.54 -0.17 0.00 0.00 175.17 174.52 3kr4 n SER 380 N 4.27 0.55 0.00 -0.34 3.41 -0.56 -4.82 113.62 116.13 3kr4 n SER 380 Ca 0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3kr4 n SER 380 Cb 0.41 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3kr4 n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kr4 n GLY 381 N 0.81 3.16 7.00 5.00 0.00 -1.26 -1.05 105.19 118.85 3kr4 n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kr4 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr4 n GLY 382 N -0.96 -0.87 0.42 -0.02 0.00 -1.26 -1.97 105.19 100.53 3kr4 n GLY 382 Ca 0.00 -1.18 0.24 0.00 0.00 0.00 0.00 46.02 45.08 3kr4 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr4 h TYR 383 N 0.00 0.00 0.00 1.61 0.05 -1.83 0.19 116.97 116.99 3kr4 h TYR 383 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3kr4 h TYR 383 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kr4 h TYR 383 CO 0.00 0.00 2.69 0.09 -1.05 0.00 0.00 178.16 179.89 3kr4 n ASN 384 N -4.25 7.60 -4.56 3.88 4.13 -1.24 -4.99 115.26 115.84 3kr4 n ASN 384 Ca 0.14 -2.52 -0.49 0.00 1.68 0.00 0.00 54.58 53.39 3kr4 n ASN 384 Cb 0.78 -1.49 -0.04 0.00 -1.54 0.00 0.00 39.78 37.50 3kr4 n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kr4 n LEU 385 N 3.33 1.22 -4.57 3.41 7.94 0.67 -4.53 117.00 124.47 3kr4 n LEU 385 Ca 0.67 1.15 -0.29 0.00 -1.11 0.00 0.00 56.01 56.43 3kr4 n LEU 385 Cb 0.40 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 3kr4 n LEU 385 CO 0.66 -1.51 1.45 -0.54 -1.11 0.00 0.00 177.39 176.34 3kr4 s LYS 386 N -0.59 2.66 0.00 1.96 1.02 -0.22 -4.51 119.74 120.07 3kr4 s LYS 386 Ca 0.71 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.94 3kr4 s LYS 386 Cb -0.86 -5.18 -0.01 0.00 -0.52 0.00 0.00 37.83 31.26 3kr4 s LYS 386 CO 0.54 -3.51 0.24 0.00 -0.92 0.00 0.00 175.35 171.71 3kr4 n ALA 387 N 13.57 2.38 -1.76 5.17 0.00 -1.26 -4.64 120.51 133.96 3kr4 n ALA 387 Ca 0.42 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3kr4 n ALA 387 Cb 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 3kr4 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr4 s ALA 388 N -0.96 3.31 0.10 0.00 0.00 -1.26 -4.93 121.76 118.01 3kr4 s ALA 388 Ca 0.02 0.76 -0.36 0.00 0.00 0.00 0.00 51.96 52.38 3kr4 s ALA 388 Cb 0.02 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.71 3kr4 s ALA 388 CO 0.09 -0.06 1.43 -2.30 0.00 0.00 0.00 175.76 174.92 3kr4 n PRO 389 N 0.93 1.47 -0.39 0.00 -0.02 -1.26 -0.89 135.00 134.83 3kr4 n PRO 389 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3kr4 n PRO 389 Cb 0.47 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3kr4 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr4 n GLY 390 N 2.87 0.88 0.06 -1.23 0.00 -1.26 -4.93 105.19 101.59 3kr4 n GLY 390 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3kr4 n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr4 n SER 391 N 0.00 0.38 -3.75 1.61 3.41 -0.07 -4.92 113.62 110.27 3kr4 n SER 391 Ca 0.00 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 58.92 3kr4 n SER 391 Cb 0.00 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.34 3kr4 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr4 n MET 392 N -1.89 -6.62 0.00 4.33 2.81 -1.26 -4.83 117.12 109.65 3kr4 n MET 392 Ca 0.04 0.71 0.20 0.00 -1.81 0.00 0.00 57.70 56.84 3kr4 n MET 392 Cb 0.26 -5.66 0.69 0.00 -0.71 0.00 0.00 33.22 27.80 3kr4 n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kr4 h ILE 393 N -2.35 0.72 0.00 2.02 2.10 -1.91 -1.11 117.51 116.98 3kr4 h ILE 393 Ca -0.58 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3kr4 h ILE 393 Cb 1.37 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3kr4 h ILE 393 CO 0.61 0.00 0.00 -2.24 -1.08 0.00 0.00 178.15 175.44 3kr4 h ASP 394 N 0.00 0.00 0.03 2.19 2.03 -1.95 -2.27 116.42 116.44 3kr4 h ASP 394 Ca 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.55 3kr4 h ASP 394 Cb 1.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 3kr4 h ASP 394 CO -0.00 0.00 -0.17 -0.11 -1.03 0.00 0.00 179.24 177.93 3kr4 n LEU 395 N -2.33 2.03 0.00 0.15 7.94 -0.42 -4.69 117.00 119.68 3kr4 n LEU 395 Ca 0.02 -0.68 0.11 0.00 -1.11 0.00 0.00 56.01 54.35 3kr4 n LEU 395 Cb 0.23 -0.02 0.57 0.00 0.53 0.00 0.00 43.42 44.73 3kr4 n LEU 395 CO 0.20 0.35 0.85 0.23 -1.11 0.00 0.00 177.39 177.91 3kr4 n MET 396 N 0.35 0.38 0.29 1.96 2.81 -0.86 -1.22 117.12 120.83 3kr4 n MET 396 Ca 0.14 0.07 0.14 0.00 -1.81 0.00 0.00 57.70 56.23 3kr4 n MET 396 Cb 0.46 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 32.22 3kr4 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr4 h LYS 397 N 0.00 0.00 -0.04 0.03 2.10 -1.84 -2.61 116.57 114.21 3kr4 h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kr4 h LYS 397 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3kr4 h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kr4 n PHE 398 N -2.68 0.05 1.69 0.07 -0.00 -0.36 -4.04 117.46 112.18 3kr4 n PHE 398 Ca -0.02 -0.02 0.11 0.00 -0.00 0.00 0.00 57.45 57.52 3kr4 n PHE 398 Cb 0.31 0.00 0.67 0.00 -0.00 0.00 0.00 39.48 40.46 3kr4 n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kr4 n ASP 399 N -0.32 0.00 -1.39 5.98 2.03 -0.99 -1.70 116.55 120.16 3kr4 n ASP 399 Ca 0.19 -0.98 0.08 0.00 0.52 0.00 0.00 54.79 54.59 3kr4 n ASP 399 Cb 0.22 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.95 3kr4 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr4 n MET 400 N -0.92 3.86 0.12 -0.67 0.00 -0.32 -2.08 117.12 117.12 3kr4 n MET 400 Ca 0.17 -2.94 0.04 0.00 0.00 0.00 0.00 57.70 54.97 3kr4 n MET 400 Cb 0.08 -2.00 0.46 0.00 0.00 0.00 0.00 33.22 31.76 3kr4 n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kr4 h SER 401 N 3.05 0.23 0.06 3.17 0.02 -1.49 -0.13 113.55 118.45 3kr4 h SER 401 Ca 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kr4 h SER 401 Cb 1.63 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3kr4 h SER 401 CO 0.32 0.28 -0.03 1.23 -1.14 0.00 0.00 176.83 177.49 3kr4 h GLY 402 N 0.51 -0.08 0.35 -3.77 0.00 -1.77 -0.98 103.07 97.34 3kr4 h GLY 402 Ca 0.06 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.51 3kr4 h GLY 402 CO 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 176.54 176.68 3kr4 h ALA 404 N 1.41 0.58 -0.59 0.00 0.00 -0.92 -0.89 119.26 118.85 3kr4 h ALA 404 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3kr4 h ALA 404 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kr4 h ALA 404 CO -0.32 -0.02 0.38 0.00 0.00 0.00 0.00 179.25 179.29 3kr4 h ALA 405 N 1.19 0.75 -0.45 0.00 0.00 -0.84 0.23 119.26 120.14 3kr4 h ALA 405 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kr4 h ALA 405 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kr4 h ALA 405 CO -0.07 0.16 0.28 0.28 0.00 0.00 0.00 179.25 179.90 3kr4 h VAL 406 N 0.78 1.07 -0.36 0.00 2.07 -0.96 0.48 116.25 119.32 3kr4 h VAL 406 Ca 0.22 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3kr4 h VAL 406 Cb -0.06 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3kr4 h VAL 406 CO -0.06 0.10 -0.15 -0.07 0.02 0.00 0.00 177.57 177.41 3kr4 h LEU 407 N 0.56 0.65 -0.69 2.57 3.38 -0.95 0.53 115.31 121.37 3kr4 h LEU 407 Ca 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kr4 h LEU 407 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3kr4 h LEU 407 CO -0.07 0.82 0.26 1.23 0.09 0.00 0.00 178.44 180.77 3kr4 h GLY 408 N 0.98 1.12 1.01 0.83 0.00 -0.32 -1.58 103.07 105.10 3kr4 h GLY 408 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kr4 h GLY 408 CO 0.04 0.59 0.48 0.00 0.00 0.00 0.00 176.54 177.64 3kr4 h ALA 410 N 1.26 1.45 -0.20 0.00 0.00 -0.42 0.71 119.26 122.05 3kr4 h ALA 410 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kr4 h ALA 410 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3kr4 h ALA 410 CO -0.06 0.48 0.12 -0.92 0.00 0.00 0.00 179.25 178.87 3kr4 h TYR 411 N 1.10 0.26 -0.45 0.00 3.20 -0.69 0.15 116.97 120.53 3kr4 h TYR 411 Ca 0.34 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.10 3kr4 h TYR 411 Cb -0.01 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3kr4 h TYR 411 CO -0.00 0.22 -0.14 0.00 -1.64 0.00 0.00 178.16 176.60 3kr4 h VAL 413 N 0.73 1.29 0.00 0.00 2.07 -0.78 0.13 116.25 119.70 3kr4 h VAL 413 Ca 0.11 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3kr4 h VAL 413 Cb 0.69 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3kr4 h VAL 413 CO 0.05 0.45 -0.14 1.23 0.02 0.00 0.00 177.57 179.18 3kr4 h GLY 414 N 0.51 0.00 0.05 2.17 0.00 -0.58 0.54 103.07 105.77 3kr4 h GLY 414 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 3kr4 h GLY 414 CO 0.06 0.00 -1.04 -0.84 0.00 0.00 0.00 176.54 174.72 3kr4 h THR 415 N 0.00 1.09 0.00 4.70 2.02 -1.00 -3.38 112.91 116.34 3kr4 h THR 415 Ca -0.00 -2.23 -0.03 0.00 0.77 0.00 0.00 66.41 64.92 3kr4 h THR 415 Cb 0.53 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3kr4 h THR 415 CO 0.02 0.41 -0.12 -0.07 0.37 0.00 0.00 175.52 176.13 3kr4 h LEU 416 N -0.93 0.00 -2.87 2.58 3.38 -0.67 -3.49 115.31 113.31 3kr4 h LEU 416 Ca -0.28 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.43 3kr4 h LEU 416 Cb 1.29 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.11 3kr4 h LEU 416 CO -0.15 0.12 -0.62 0.29 0.09 0.00 0.00 178.44 178.17 3kr4 n LYS 417 N -3.13 -1.49 -1.70 1.13 5.02 0.17 -4.96 118.16 113.21 3kr4 n LYS 417 Ca 0.03 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 56.91 3kr4 n LYS 417 Cb 0.57 -4.70 0.07 0.00 -0.02 0.00 0.00 35.03 30.95 3kr4 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr4 s PRO 418 N -4.48 2.51 0.44 1.97 0.04 -1.26 -5.03 135.00 129.20 3kr4 s PRO 418 Ca 0.23 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 3kr4 s PRO 418 Cb -0.06 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3kr4 s PRO 418 CO 0.81 -1.59 0.69 -1.21 0.04 0.00 0.00 177.00 175.74 3kr4 s GLU 419 N -3.55 3.32 -2.02 4.56 2.02 -1.26 -4.57 118.70 117.20 3kr4 s GLU 419 Ca 0.79 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.59 3kr4 s GLU 419 Cb -0.33 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.40 3kr4 s GLU 419 CO 0.40 -0.17 0.00 0.09 0.02 0.00 0.00 175.26 175.60 3kr4 n ASN 420 N -2.10 -5.52 -3.96 -0.19 3.02 -1.26 -4.98 115.26 100.27 3kr4 n ASN 420 Ca -0.00 0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 54.80 3kr4 n ASN 420 Cb 0.56 -4.72 -0.11 0.00 -0.61 0.00 0.00 39.78 34.90 3kr4 n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kr4 s VAL 421 N -2.82 0.10 -0.07 2.41 0.11 -1.26 -0.20 120.40 118.67 3kr4 s VAL 421 Ca 0.00 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 3kr4 s VAL 421 Cb 0.00 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3kr4 s VAL 421 CO 0.00 -0.46 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.49 3kr4 s GLU 422 N -1.39 1.65 -0.05 1.54 2.12 -0.50 -1.18 118.70 120.90 3kr4 s GLU 422 Ca -0.15 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 54.82 3kr4 s GLU 422 Cb -0.09 -1.38 0.00 0.00 0.26 0.00 0.00 34.13 32.92 3kr4 s GLU 422 CO -0.01 0.01 -0.14 0.42 -0.54 0.00 0.00 175.26 175.00 3kr4 s ILE 423 N 0.70 1.26 -0.16 -3.70 -1.09 0.53 -1.29 121.20 117.45 3kr4 s ILE 423 Ca -0.14 -0.59 -0.04 0.00 -2.23 0.00 0.00 60.65 57.65 3kr4 s ILE 423 Cb -0.16 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 3kr4 s ILE 423 CO 0.03 0.37 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.10 3kr4 s HIS 424 N 0.31 3.06 -0.27 3.97 3.76 0.71 -1.03 115.29 125.80 3kr4 s HIS 424 Ca -0.09 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3kr4 s HIS 424 Cb -0.13 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.62 3kr4 s HIS 424 CO 0.03 0.01 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.84 3kr4 s PHE 425 N 0.34 3.15 0.04 1.40 0.08 0.74 -0.46 117.98 123.26 3kr4 s PHE 425 Ca -0.03 -1.63 0.07 0.00 0.12 0.00 0.00 56.93 55.46 3kr4 s PHE 425 Cb -0.14 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 3kr4 s PHE 425 CO 0.02 -0.75 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.68 3kr4 s LEU 426 N 1.31 2.17 -0.23 -0.37 1.43 0.15 -0.21 118.68 122.93 3kr4 s LEU 426 Ca -0.02 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 3kr4 s LEU 426 Cb -0.18 -0.96 0.07 0.00 0.03 0.00 0.00 46.19 45.15 3kr4 s LEU 426 CO -0.03 0.16 0.54 -0.55 0.23 0.00 0.00 176.35 176.70 3kr4 s SER 427 N -1.18 -0.72 -0.78 2.29 0.15 -0.69 -1.51 113.70 111.27 3kr4 s SER 427 Ca 0.07 1.20 -0.20 0.00 0.70 0.00 0.00 55.95 57.72 3kr4 s SER 427 Cb -0.09 1.14 0.11 0.00 -1.71 0.00 0.00 66.02 65.48 3kr4 s SER 427 CO 0.02 -0.22 0.99 0.00 1.20 0.00 0.00 173.24 175.23 3kr4 s ALA 428 N 1.65 3.31 -0.01 5.45 0.00 -1.26 -0.43 121.76 130.46 3kr4 s ALA 428 Ca -0.09 -2.38 -0.17 0.00 0.00 0.00 0.00 51.96 49.32 3kr4 s ALA 428 Cb -0.07 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 3kr4 s ALA 428 CO -0.16 -2.78 0.49 0.08 0.00 0.00 0.00 175.76 173.38 3kr4 s VAL 429 N 3.08 4.98 0.23 0.00 1.01 -0.81 -4.13 120.40 124.76 3kr4 s VAL 429 Ca 0.25 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 63.04 3kr4 s VAL 429 Cb -0.12 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.52 3kr4 s VAL 429 CO -0.00 0.49 0.98 0.00 0.00 0.00 0.00 175.10 176.57 3kr4 s GLU 431 N -2.22 1.81 -0.50 0.00 2.12 -1.26 -1.19 118.70 117.47 3kr4 s GLU 431 Ca 0.20 -0.62 -0.13 0.00 0.36 0.00 0.00 54.97 54.78 3kr4 s GLU 431 Cb -0.03 -1.58 0.12 0.00 0.26 0.00 0.00 34.13 32.90 3kr4 s GLU 431 CO 0.07 0.25 0.41 1.21 -0.54 0.00 0.00 175.26 176.66 3kr4 s ASN 432 N 0.02 5.95 0.33 -1.70 2.47 -0.05 -4.37 114.94 117.59 3kr4 s ASN 432 Ca -0.04 -1.79 0.04 0.00 0.42 0.00 0.00 52.86 51.50 3kr4 s ASN 432 Cb -0.12 -2.11 -0.07 0.00 -1.45 0.00 0.00 41.25 37.51 3kr4 s ASN 432 CO 0.02 -0.75 0.05 -0.04 -3.72 0.00 0.00 177.10 172.66 3kr4 s MET 433 N 1.49 1.69 -0.15 0.43 -1.94 -1.26 -1.50 119.30 118.05 3kr4 s MET 433 Ca 0.04 -1.94 -0.03 0.00 -1.71 0.00 0.00 55.69 52.06 3kr4 s MET 433 Cb -0.28 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.59 3kr4 s MET 433 CO 0.02 -0.17 -0.06 0.08 -0.01 0.00 0.00 175.02 174.87 3kr4 s VAL 434 N -3.24 3.67 0.02 -6.03 1.01 -1.26 -4.53 120.40 110.05 3kr4 s VAL 434 Ca 0.36 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 3kr4 s VAL 434 Cb 0.09 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.97 3kr4 s VAL 434 CO 0.16 0.50 0.85 -0.55 0.00 0.00 0.00 175.10 176.05 3kr4 s SER 435 N 0.43 -0.39 0.59 3.32 0.15 -1.26 -4.98 113.70 111.55 3kr4 s SER 435 Ca -0.05 -0.01 0.29 0.00 0.70 0.00 0.00 55.95 56.87 3kr4 s SER 435 Cb -0.15 0.42 1.59 0.00 -1.71 0.00 0.00 66.02 66.17 3kr4 s SER 435 CO 0.03 -0.68 2.03 0.07 1.20 0.00 0.00 173.24 175.89 3kr4 h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -2.72 116.57 121.40 3kr4 h LYS 436 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3kr4 h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kr4 h LYS 436 CO 0.32 0.00 -0.16 0.09 -2.00 0.00 0.00 179.45 177.70 3kr4 n ASN 437 N -3.78 1.48 -4.80 7.07 5.03 -1.26 -4.98 115.26 114.02 3kr4 n ASN 437 Ca 0.04 -1.28 -0.31 0.00 0.87 0.00 0.00 54.58 53.90 3kr4 n ASN 437 Cb 0.44 0.11 0.06 0.00 -1.02 0.00 0.00 39.78 39.37 3kr4 n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kr4 s SER 438 N -2.27 5.12 0.82 6.41 0.01 -1.03 -3.82 113.70 118.94 3kr4 s SER 438 Ca 0.29 1.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.20 3kr4 s SER 438 Cb 0.20 -2.51 0.08 0.00 0.21 0.00 0.00 66.02 64.00 3kr4 s SER 438 CO 0.44 -1.62 1.10 -0.72 0.41 0.00 0.00 173.24 172.84 3kr4 s TYR 439 N -2.84 2.39 0.10 2.43 1.13 -1.26 -4.89 117.35 114.42 3kr4 s TYR 439 Ca 0.61 1.54 0.10 0.00 -1.41 0.00 0.00 57.07 57.91 3kr4 s TYR 439 Cb -0.16 -3.10 -0.04 0.00 -1.10 0.00 0.00 41.96 37.56 3kr4 s TYR 439 CO 0.51 -2.05 -0.26 1.03 -2.51 0.00 0.00 175.55 172.27 3kr4 s ARG 440 N -4.87 1.57 0.10 -3.49 0.52 -1.26 -4.66 118.95 106.87 3kr4 s ARG 440 Ca 0.62 -1.25 -0.36 0.00 -0.52 0.00 0.00 55.73 54.22 3kr4 s ARG 440 Cb -0.18 -1.95 -0.16 0.00 0.52 0.00 0.00 34.95 33.18 3kr4 s ARG 440 CO 0.57 0.48 1.34 -2.30 0.02 0.00 0.00 175.30 175.40 3kr4 n PRO 441 N 1.22 1.25 0.00 3.54 -0.02 -1.26 -1.20 135.00 138.53 3kr4 n PRO 441 Ca -0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3kr4 n PRO 441 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3kr4 n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr4 n GLY 442 N 2.54 3.26 3.68 -1.23 0.00 0.20 -5.02 105.19 108.63 3kr4 n GLY 442 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3kr4 n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr4 n ASP 443 N 0.03 2.16 -4.43 1.61 9.92 -0.34 -4.47 116.55 121.03 3kr4 n ASP 443 Ca 0.00 1.04 -0.34 0.00 -0.53 0.00 0.00 54.79 54.96 3kr4 n ASP 443 Cb 0.00 -1.47 -0.13 0.00 -0.64 0.00 0.00 41.12 38.88 3kr4 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr4 s ILE 444 N -1.26 3.63 0.11 0.53 1.01 -1.26 -0.50 121.20 123.46 3kr4 s ILE 444 Ca 0.64 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.91 3kr4 s ILE 444 Cb -0.49 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3kr4 s ILE 444 CO 0.55 0.47 -0.14 0.27 0.00 0.00 0.00 174.94 176.09 3kr4 s ILE 445 N 0.68 1.28 -0.23 2.92 -4.36 -0.39 -4.94 121.20 116.15 3kr4 s ILE 445 Ca -0.03 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.72 3kr4 s ILE 445 Cb -0.15 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 3kr4 s ILE 445 CO 0.02 -0.35 -0.02 -0.89 0.24 0.00 0.00 174.94 173.94 3kr4 s THR 446 N -1.87 3.55 0.92 8.37 2.01 -1.26 -0.42 115.64 126.93 3kr4 s THR 446 Ca 0.06 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 3kr4 s THR 446 Cb -0.06 -2.64 0.14 0.00 0.01 0.00 0.00 72.50 69.95 3kr4 s THR 446 CO 0.03 0.38 1.11 0.00 -0.69 0.00 0.00 174.62 175.45 3kr4 s ALA 447 N 1.50 1.57 -0.40 7.40 0.00 -0.33 -2.09 121.76 129.41 3kr4 s ALA 447 Ca 0.05 -0.38 0.25 0.00 0.00 0.00 0.00 51.96 51.88 3kr4 s ALA 447 Cb -0.15 -3.09 1.04 0.00 0.00 0.00 0.00 23.12 20.93 3kr4 s ALA 447 CO -0.02 -2.38 1.74 0.66 0.00 0.00 0.00 175.76 175.77 3kr4 h SER 448 N -1.56 0.00 -0.58 0.00 4.64 -1.75 0.10 113.55 114.40 3kr4 h SER 448 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kr4 h SER 448 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3kr4 h SER 448 CO 0.59 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 3kr4 n ASN 449 N -2.34 3.38 0.00 4.97 6.94 -1.26 -4.91 115.26 122.03 3kr4 n ASN 449 Ca 0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3kr4 n ASN 449 Cb 0.23 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 3kr4 n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kr4 n GLY 450 N 1.35 1.54 3.72 4.83 0.00 0.02 -5.03 105.19 111.62 3kr4 n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3kr4 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr4 s LYS 451 N -0.37 4.28 0.13 1.61 1.02 -1.26 -4.74 119.74 120.41 3kr4 s LYS 451 Ca 0.00 2.20 -0.19 0.00 0.02 0.00 0.00 55.97 58.00 3kr4 s LYS 451 Cb 0.00 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 3kr4 s LYS 451 CO 0.00 -0.49 0.63 0.95 -0.92 0.00 0.00 175.35 175.52 3kr4 s THR 452 N 0.95 4.67 -0.08 2.17 -4.23 -1.26 -1.18 115.64 116.68 3kr4 s THR 452 Ca 0.66 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 62.40 3kr4 s THR 452 Cb -0.40 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 69.57 3kr4 s THR 452 CO 0.32 0.42 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.10 3kr4 s ILE 453 N -1.27 1.00 -0.25 2.99 1.01 0.43 -1.61 121.20 123.50 3kr4 s ILE 453 Ca 0.35 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 3kr4 s ILE 453 Cb -0.19 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3kr4 s ILE 453 CO 0.21 0.34 0.52 -0.70 0.00 0.00 0.00 174.94 175.31 3kr4 s GLU 454 N 1.08 4.10 -0.18 2.79 2.12 -0.09 -1.27 118.70 127.25 3kr4 s GLU 454 Ca -0.07 0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.32 3kr4 s GLU 454 Cb -0.14 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 3kr4 s GLU 454 CO -0.01 -0.31 1.17 0.08 -0.54 0.00 0.00 175.26 175.65 3kr4 s VAL 455 N 2.16 4.45 -0.10 3.70 1.01 0.34 -1.63 120.40 130.33 3kr4 s VAL 455 Ca 0.22 1.75 0.19 0.00 0.00 0.00 0.00 61.98 64.14 3kr4 s VAL 455 Cb -0.16 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 31.81 3kr4 s VAL 455 CO 0.09 -0.14 0.28 0.61 0.00 0.00 0.00 175.10 175.93 3kr4 n GLY 456 N 3.47 -0.95 3.47 4.51 0.00 -1.26 0.60 105.19 115.03 3kr4 n GLY 456 Ca 0.13 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.74 3kr4 n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kr4 s ASN 457 N -4.85 -1.13 0.21 1.61 3.84 -1.26 -4.73 114.94 108.63 3kr4 s ASN 457 Ca -0.09 1.26 0.19 0.00 0.21 0.00 0.00 52.86 54.44 3kr4 s ASN 457 Cb 0.10 2.17 0.88 0.00 -0.55 0.00 0.00 41.25 43.85 3kr4 s ASN 457 CO 0.83 -0.22 1.60 0.35 -2.79 0.00 0.00 177.10 176.87 3kr4 n THR 458 N 5.40 1.01 1.50 -5.21 -2.24 -1.26 -1.14 114.28 112.33 3kr4 n THR 458 Ca -0.08 0.38 0.15 0.00 -2.27 0.00 0.00 64.05 62.22 3kr4 n THR 458 Cb 0.50 -1.31 0.70 0.00 -2.10 0.00 0.00 70.33 68.13 3kr4 n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr4 n ASP 459 N -2.06 0.28 -3.02 3.42 2.03 -0.83 -3.45 116.55 112.92 3kr4 n ASP 459 Ca 0.01 -0.51 -0.38 0.00 0.52 0.00 0.00 54.79 54.43 3kr4 n ASP 459 Cb 0.15 -0.13 0.01 0.00 -0.72 0.00 0.00 41.12 40.44 3kr4 n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kr4 n ALA 460 N -1.04 6.45 0.07 -1.67 0.00 -0.29 -4.67 120.51 119.35 3kr4 n ALA 460 Ca 0.16 -4.01 -0.03 0.00 0.00 0.00 0.00 53.44 49.56 3kr4 n ALA 460 Cb 0.24 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 3kr4 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr4 h GLU 461 N 3.35 0.00 -0.55 0.00 9.09 -1.79 -3.35 114.58 121.33 3kr4 h GLU 461 Ca 0.54 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.98 3kr4 h GLU 461 Cb 0.24 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.30 3kr4 h GLU 461 CO 1.28 0.66 0.33 0.78 0.05 0.00 0.00 179.01 182.11 3kr4 h GLY 462 N 3.34 0.79 2.00 1.06 0.00 -1.91 -2.26 103.07 106.08 3kr4 h GLY 462 Ca -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3kr4 h GLY 462 CO 0.09 0.21 -0.14 0.07 0.00 0.00 0.00 176.54 176.77 3kr4 h ARG 463 N 0.66 0.00 -0.01 4.80 0.11 -1.94 -0.04 114.38 117.95 3kr4 h ARG 463 Ca 0.22 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.21 3kr4 h ARG 463 Cb 0.03 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.12 3kr4 h ARG 463 CO -0.10 0.14 -0.37 -0.07 0.10 0.00 0.00 179.97 179.67 3kr4 h LEU 464 N 0.00 0.34 -0.60 0.08 3.38 -1.58 -1.05 115.31 115.89 3kr4 h LEU 464 Ca -0.00 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 3kr4 h LEU 464 Cb 0.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3kr4 h LEU 464 CO 0.02 1.06 0.30 0.71 0.09 0.00 0.00 178.44 180.62 3kr4 h THR 465 N -0.35 1.21 -0.12 0.22 1.35 -1.20 -2.88 112.91 111.14 3kr4 h THR 465 Ca -0.05 -0.57 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 3kr4 h THR 465 Cb 1.11 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3kr4 h THR 465 CO 0.07 0.23 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.37 3kr4 h LEU 466 N 0.82 0.17 -0.00 3.87 3.38 -1.06 -2.15 115.31 120.33 3kr4 h LEU 466 Ca 0.21 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3kr4 h LEU 466 Cb 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3kr4 h LEU 466 CO -0.03 0.33 -0.23 0.00 0.09 0.00 0.00 178.44 178.60 3kr4 h ALA 467 N 1.69 -0.30 -0.24 1.53 0.00 -0.96 0.34 119.26 121.32 3kr4 h ALA 467 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kr4 h ALA 467 Cb 0.35 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kr4 h ALA 467 CO 0.02 -0.73 -0.41 -0.44 0.00 0.00 0.00 179.25 177.69 3kr4 h ASP 468 N -0.36 0.60 0.03 0.00 3.32 -1.49 -2.20 116.42 116.32 3kr4 h ASP 468 Ca 0.06 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 3kr4 h ASP 468 Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kr4 h ASP 468 CO -0.21 0.94 -0.28 0.00 -1.72 0.00 0.00 179.24 177.97 3kr4 h ALA 469 N 1.09 1.15 -0.18 3.45 0.00 -1.09 -2.21 119.26 121.47 3kr4 h ALA 469 Ca 0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 3kr4 h ALA 469 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kr4 h ALA 469 CO 0.08 0.54 -0.68 -0.07 0.00 0.00 0.00 179.25 179.12 3kr4 h LEU 470 N 0.34 0.82 -0.39 0.00 3.38 -0.74 -0.28 115.31 118.44 3kr4 h LEU 470 Ca 0.05 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3kr4 h LEU 470 Cb 0.67 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kr4 h LEU 470 CO 0.05 1.27 0.22 0.58 0.09 0.00 0.00 178.44 180.65 3kr4 h VAL 471 N 0.51 1.15 -0.54 1.22 2.07 -1.30 -0.45 116.25 118.91 3kr4 h VAL 471 Ca -0.02 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3kr4 h VAL 471 Cb 1.28 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3kr4 h VAL 471 CO 0.14 0.15 0.33 0.22 0.02 0.00 0.00 177.57 178.42 3kr4 h TYR 472 N 0.50 0.61 -0.41 1.57 3.20 -1.31 -2.45 116.97 118.67 3kr4 h TYR 472 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3kr4 h TYR 472 Cb 0.05 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3kr4 h TYR 472 CO -0.03 0.35 0.07 0.00 -1.64 0.00 0.00 178.16 176.91 3kr4 h ALA 473 N 1.23 0.55 -0.01 1.82 0.00 -0.80 -2.57 119.26 119.48 3kr4 h ALA 473 Ca 0.22 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kr4 h ALA 473 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kr4 h ALA 473 CO -0.09 0.26 -0.29 1.49 0.00 0.00 0.00 179.25 180.63 3kr4 h GLU 474 N 0.54 0.02 0.00 0.00 4.81 -0.96 -1.86 114.58 117.12 3kr4 h GLU 474 Ca 0.13 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kr4 h GLU 474 Cb 0.37 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3kr4 h GLU 474 CO 0.01 0.30 -0.00 0.87 -0.73 0.00 0.00 179.01 179.46 3kr4 h LYS 475 N 0.02 0.00 0.00 1.92 1.57 -1.03 -2.20 116.57 116.85 3kr4 h LYS 475 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kr4 h LYS 475 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kr4 h LYS 475 CO 0.04 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.85 3kr4 h LEU 476 N 0.00 0.00 -1.92 2.94 3.38 -1.21 -3.47 115.31 115.03 3kr4 h LEU 476 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kr4 h LEU 476 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kr4 h LEU 476 CO 0.00 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.09 3kr4 n GLY 477 N 0.07 0.42 3.98 0.83 0.00 -0.83 -5.07 105.19 104.59 3kr4 n GLY 477 Ca 0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3kr4 n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr4 s VAL 478 N -3.02 4.19 0.08 1.61 -7.23 -1.26 -4.94 120.40 109.82 3kr4 s VAL 478 Ca 0.00 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 3kr4 s VAL 478 Cb -0.00 -3.47 -0.26 0.00 0.56 0.00 0.00 36.38 33.20 3kr4 s VAL 478 CO 0.05 -0.21 1.14 0.44 -0.31 0.00 0.00 175.10 176.20 3kr4 h ASP 479 N 0.82 0.31 -3.75 4.85 3.32 -1.09 -3.47 116.42 117.41 3kr4 h ASP 479 Ca -0.46 -0.35 -0.27 0.00 0.02 0.00 0.00 57.03 55.97 3kr4 h ASP 479 Cb 1.25 -0.10 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 3kr4 h ASP 479 CO 0.54 1.27 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.30 3kr4 s TYR 480 N -2.66 0.16 -0.14 4.55 2.02 -1.15 -3.91 117.35 116.22 3kr4 s TYR 480 Ca -0.03 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3kr4 s TYR 480 Cb 0.08 -0.14 -0.01 0.00 -0.40 0.00 0.00 41.96 41.49 3kr4 s TYR 480 CO 0.86 -0.02 -0.13 0.42 -1.57 0.00 0.00 175.55 175.12 3kr4 s ILE 481 N 0.13 3.02 -0.11 2.71 1.01 -0.40 -1.14 121.20 126.41 3kr4 s ILE 481 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3kr4 s ILE 481 Cb -0.03 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3kr4 s ILE 481 CO -0.00 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 3kr4 s VAL 482 N 0.51 1.21 0.21 2.92 1.01 -0.51 -1.39 120.40 124.37 3kr4 s VAL 482 Ca -0.09 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3kr4 s VAL 482 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3kr4 s VAL 482 CO 0.04 0.39 0.04 1.51 0.00 0.00 0.00 175.10 177.08 3kr4 s ASP 483 N 1.33 4.89 -0.01 3.32 1.47 -0.23 -1.00 116.67 126.43 3kr4 s ASP 483 Ca -0.01 -0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.30 3kr4 s ASP 483 Cb -0.14 -1.07 0.02 0.00 -0.34 0.00 0.00 42.92 41.40 3kr4 s ASP 483 CO -0.05 0.05 0.02 -0.51 0.68 0.00 0.00 175.17 175.35 3kr4 s ILE 484 N -1.94 0.00 -0.19 2.11 2.07 0.95 -0.75 121.20 123.44 3kr4 s ILE 484 Ca 0.30 0.13 -0.23 0.00 -1.41 0.00 0.00 60.65 59.44 3kr4 s ILE 484 Cb -0.08 -0.09 0.06 0.00 0.13 0.00 0.00 42.46 42.47 3kr4 s ILE 484 CO 0.20 0.07 0.61 0.00 -1.91 0.00 0.00 174.94 173.92 3kr4 s ALA 485 N 0.73 -1.53 -1.35 1.50 0.00 -0.36 -1.75 121.76 119.00 3kr4 s ALA 485 Ca -0.06 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 3kr4 s ALA 485 Cb -0.09 -0.78 0.12 0.00 0.00 0.00 0.00 23.12 22.36 3kr4 s ALA 485 CO -0.02 -0.30 2.00 0.25 0.00 0.00 0.00 175.76 177.69 3kr4 n THR 486 N 2.36 3.99 -0.03 0.00 -2.24 -1.26 -0.22 114.28 116.89 3kr4 n THR 486 Ca -0.15 -3.87 -0.22 0.00 -2.27 0.00 0.00 64.05 57.54 3kr4 n THR 486 Cb 0.56 -2.46 -0.13 0.00 -2.10 0.00 0.00 70.33 66.20 3kr4 n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kr4 h LEU 487 N 8.82 0.29 -7.60 3.22 5.85 -1.91 -3.44 115.31 120.53 3kr4 h LEU 487 Ca 0.46 -0.81 -0.34 0.00 0.84 0.00 0.00 57.88 58.03 3kr4 h LEU 487 Cb 0.64 -0.10 -0.34 0.00 0.37 0.00 0.00 40.66 41.24 3kr4 h LEU 487 CO 1.72 1.74 -0.75 0.42 -0.34 0.00 0.00 178.44 181.23 3kr4 s THR 488 N -2.50 0.17 0.58 1.05 -4.23 -1.26 -4.95 115.64 104.50 3kr4 s THR 488 Ca -0.24 0.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 3kr4 s THR 488 Cb 0.06 -0.27 0.38 0.00 1.34 0.00 0.00 72.50 74.01 3kr4 s THR 488 CO 0.72 0.14 2.00 1.23 -0.54 0.00 0.00 174.62 178.17 3kr4 h GLY 489 N 7.27 0.00 1.86 3.99 0.00 -1.93 -2.27 103.07 111.98 3kr4 h GLY 489 Ca -0.42 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3kr4 h GLY 489 CO 0.47 0.00 0.06 0.00 0.00 0.00 0.00 176.54 177.07 3kr4 h ALA 490 N 1.64 1.26 -0.57 3.60 0.00 -1.97 -1.00 119.26 122.23 3kr4 h ALA 490 Ca 0.17 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3kr4 h ALA 490 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3kr4 h ALA 490 CO -0.00 -0.08 0.38 0.52 0.00 0.00 0.00 179.25 180.07 3kr4 h MET 491 N 0.00 0.54 -0.07 0.00 2.86 -1.80 -0.07 114.93 116.39 3kr4 h MET 491 Ca 0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3kr4 h MET 491 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3kr4 h MET 491 CO -0.00 0.36 -0.08 -0.07 1.06 0.00 0.00 176.91 178.18 3kr4 h LEU 492 N 0.56 0.09 0.00 1.22 3.38 -1.41 -0.21 115.31 118.94 3kr4 h LEU 492 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kr4 h LEU 492 Cb 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kr4 h LEU 492 CO -0.07 0.19 -0.52 1.88 0.09 0.00 0.00 178.44 180.00 3kr4 h TYR 493 N 0.10 0.00 0.00 1.13 -1.99 -1.18 -3.24 116.97 111.79 3kr4 h TYR 493 Ca 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3kr4 h TYR 493 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 3kr4 h TYR 493 CO 0.00 0.00 -0.88 -1.13 -0.00 0.00 0.00 178.16 176.15 3kr4 n SER 494 N -2.17 1.80 -0.02 3.88 3.41 -0.76 -4.84 113.62 114.93 3kr4 n SER 494 Ca 0.04 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 59.00 3kr4 n SER 494 Cb 0.44 -0.67 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 3kr4 n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kr4 n LEU 495 N -4.29 0.00 0.00 1.04 4.77 -0.51 -5.09 117.00 112.92 3kr4 n LEU 495 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kr4 n LEU 495 Cb 0.45 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3kr4 n LEU 495 CO 0.17 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3kr4 n GLY 496 N 1.73 -0.27 0.01 -0.72 0.00 -0.21 -4.32 105.19 101.41 3kr4 n GLY 496 Ca -0.06 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.76 3kr4 n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr4 n THR 497 N 0.00 0.07 -0.07 2.61 -2.24 -1.26 -4.22 114.28 109.17 3kr4 n THR 497 Ca 0.00 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 3kr4 n THR 497 Cb 0.00 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 3kr4 n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kr4 n SER 498 N -1.65 2.02 -4.58 3.42 7.64 -1.26 -4.26 113.62 114.95 3kr4 n SER 498 Ca 0.04 0.15 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 3kr4 n SER 498 Cb 0.37 -0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 3kr4 n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kr4 s TYR 499 N -2.51 3.06 0.58 1.43 4.12 -1.26 -4.57 117.35 118.20 3kr4 s TYR 499 Ca -0.29 -0.06 -0.13 0.00 0.02 0.00 0.00 57.07 56.61 3kr4 s TYR 499 Cb 0.08 -1.86 -0.05 0.00 -1.52 0.00 0.00 41.96 38.61 3kr4 s TYR 499 CO 0.66 0.21 1.01 0.00 0.02 0.00 0.00 175.55 177.45 3kr4 s ALA 500 N -0.27 3.09 -0.10 3.71 0.00 -0.66 -4.59 121.76 122.93 3kr4 s ALA 500 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3kr4 s ALA 500 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3kr4 s ALA 500 CO 0.02 -0.51 0.10 0.20 0.00 0.00 0.00 175.76 175.57 3kr4 s GLY 501 N -3.76 2.06 -0.09 0.00 0.00 -1.08 0.22 107.32 104.68 3kr4 s GLY 501 Ca 0.56 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3kr4 s GLY 501 CO 0.45 -0.45 -0.20 0.54 0.00 0.00 0.00 173.10 173.43 3kr4 s VAL 502 N -1.00 2.43 0.19 1.40 0.11 0.11 -0.81 120.40 122.83 3kr4 s VAL 502 Ca 0.15 -0.91 0.09 0.00 -2.93 0.00 0.00 61.98 58.38 3kr4 s VAL 502 Cb -0.12 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 3kr4 s VAL 502 CO 0.04 0.56 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.82 3kr4 s PHE 503 N 0.03 1.95 0.09 1.54 0.08 -0.37 -0.49 117.98 120.82 3kr4 s PHE 503 Ca -0.08 -0.45 -0.26 0.00 0.12 0.00 0.00 56.93 56.27 3kr4 s PHE 503 Cb -0.15 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.45 3kr4 s PHE 503 CO 0.05 0.42 1.13 0.20 -0.10 0.00 0.00 175.22 176.93 3kr4 s GLY 504 N -2.89 -0.09 0.00 4.36 0.00 -1.26 0.01 107.32 107.44 3kr4 s GLY 504 Ca 0.20 0.01 0.15 0.00 0.00 0.00 0.00 44.72 45.08 3kr4 s GLY 504 CO 0.08 2.42 1.30 1.16 0.00 0.00 0.00 173.10 178.06 3kr4 n ASN 505 N -0.94 3.14 -3.43 1.64 0.23 -0.45 -4.78 115.26 110.67 3kr4 n ASN 505 Ca -0.03 -1.94 -0.09 0.00 -0.53 0.00 0.00 54.58 51.99 3kr4 n ASN 505 Cb 0.60 -0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 37.95 3kr4 n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr4 s ASN 506 N -1.05 0.05 0.27 0.53 3.84 -1.26 -4.86 114.94 112.46 3kr4 s ASN 506 Ca 0.30 0.47 0.01 0.00 0.21 0.00 0.00 52.86 53.85 3kr4 s ASN 506 Cb 0.16 1.21 0.38 0.00 -0.55 0.00 0.00 41.25 42.46 3kr4 s ASN 506 CO 0.22 -0.28 1.72 -0.08 -2.79 0.00 0.00 177.10 175.89 3kr4 h GLU 507 N 8.18 0.56 -0.76 0.43 4.81 -1.95 -1.53 114.58 124.31 3kr4 h GLU 507 Ca -0.18 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3kr4 h GLU 507 Cb 1.14 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3kr4 h GLU 507 CO 0.23 0.73 0.50 0.93 -0.73 0.00 0.00 179.01 180.67 3kr4 h GLU 508 N 0.50 0.97 -0.28 1.92 5.08 -1.99 -0.29 114.58 120.48 3kr4 h GLU 508 Ca 0.08 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3kr4 h GLU 508 Cb 0.63 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kr4 h GLU 508 CO 0.04 0.64 -0.28 1.25 -1.00 0.00 0.00 179.01 179.66 3kr4 h LEU 509 N 1.00 0.74 -0.49 1.33 5.85 -1.83 -2.39 115.31 119.52 3kr4 h LEU 509 Ca 0.29 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3kr4 h LEU 509 Cb -0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3kr4 h LEU 509 CO -0.08 1.06 0.21 0.40 -0.34 0.00 0.00 178.44 179.69 3kr4 h ILE 510 N 0.43 0.90 -0.78 4.05 2.04 -1.10 -1.59 117.51 121.46 3kr4 h ILE 510 Ca 0.04 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3kr4 h ILE 510 Cb 0.85 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3kr4 h ILE 510 CO 0.07 0.08 0.51 0.78 0.00 0.00 0.00 178.15 179.59 3kr4 h ASN 511 N 0.42 0.76 -0.52 1.72 2.35 -0.98 -0.06 115.58 119.27 3kr4 h ASN 511 Ca 0.22 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3kr4 h ASN 511 Cb 0.18 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3kr4 h ASN 511 CO -0.19 0.50 0.11 0.11 -1.65 0.00 0.00 177.43 176.31 3kr4 h LYS 512 N 0.87 0.89 -0.27 0.81 1.57 -0.86 0.33 116.57 119.92 3kr4 h LYS 512 Ca 0.33 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3kr4 h LYS 512 Cb 0.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3kr4 h LYS 512 CO -0.11 0.82 -0.12 0.82 -0.57 0.00 0.00 179.45 180.28 3kr4 h ILE 513 N 0.85 1.30 -0.77 1.86 1.08 -0.42 -1.20 117.51 120.20 3kr4 h ILE 513 Ca 0.18 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 3kr4 h ILE 513 Cb 0.34 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 3kr4 h ILE 513 CO 0.00 0.38 0.50 -0.07 -0.69 0.00 0.00 178.15 178.28 3kr4 h LEU 514 N 0.30 0.89 -0.45 1.44 3.38 -0.80 0.25 115.31 120.32 3kr4 h LEU 514 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kr4 h LEU 514 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kr4 h LEU 514 CO 0.04 0.66 -0.01 -0.61 0.09 0.00 0.00 178.44 178.60 3kr4 h GLN 515 N 1.05 0.80 -0.66 1.13 5.75 -0.78 -1.85 115.11 120.55 3kr4 h GLN 515 Ca 0.28 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3kr4 h GLN 515 Cb -0.11 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3kr4 h GLN 515 CO -0.06 0.86 0.39 0.77 -2.65 0.00 0.00 178.83 178.14 3kr4 h SER 516 N 0.64 0.78 -0.46 -0.69 0.02 -0.67 -1.27 113.55 111.90 3kr4 h SER 516 Ca 0.13 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kr4 h SER 516 Cb 0.51 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3kr4 h SER 516 CO 0.02 0.61 0.23 -1.28 -1.14 0.00 0.00 176.83 175.27 3kr4 h SER 517 N 0.90 0.59 -0.58 3.07 0.87 -0.66 0.17 113.55 117.92 3kr4 h SER 517 Ca 0.24 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kr4 h SER 517 Cb -0.03 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3kr4 h SER 517 CO -0.04 0.54 0.30 0.50 -0.53 0.00 0.00 176.83 177.60 3kr4 h LYS 518 N 0.60 0.82 0.00 2.24 3.64 -0.77 -1.28 116.57 121.82 3kr4 h LYS 518 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3kr4 h LYS 518 Cb 0.10 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3kr4 h LYS 518 CO -0.02 0.64 -0.68 1.79 -2.27 0.00 0.00 179.45 178.91 3kr4 h THR 519 N 0.78 0.00 0.00 1.00 1.35 -1.05 -3.24 112.91 111.75 3kr4 h THR 519 Ca 0.20 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3kr4 h THR 519 Cb 0.08 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3kr4 h THR 519 CO -0.03 0.00 -0.74 0.77 -0.25 0.00 0.00 175.52 175.27 3kr4 h SER 520 N 0.00 0.00 -2.35 5.36 4.64 -0.64 -3.47 113.55 117.09 3kr4 h SER 520 Ca 0.00 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 3kr4 h SER 520 Cb 0.85 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 3kr4 h SER 520 CO 0.00 0.01 -0.45 0.59 -0.87 0.00 0.00 176.83 176.11 3kr4 n ASN 521 N -2.75 -5.30 -4.28 4.97 3.02 -0.50 -4.86 115.26 105.57 3kr4 n ASN 521 Ca 0.01 0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 3kr4 n ASN 521 Cb 0.54 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 3kr4 n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kr4 s GLU 522 N -4.71 2.62 0.29 3.52 2.02 -1.10 -4.93 118.70 116.42 3kr4 s GLU 522 Ca 0.00 -1.40 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 3kr4 s GLU 522 Cb 0.00 -3.75 -0.09 0.00 0.10 0.00 0.00 34.13 30.39 3kr4 s GLU 522 CO 0.00 -0.90 1.05 -1.25 0.02 0.00 0.00 175.26 174.18 3kr4 s PRO 523 N 1.43 4.61 0.01 0.39 0.04 -1.26 -4.52 135.00 135.70 3kr4 s PRO 523 Ca 0.03 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 3kr4 s PRO 523 Cb -0.22 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3kr4 s PRO 523 CO 0.03 0.23 -0.00 0.08 0.04 0.00 0.00 177.00 177.37 3kr4 s VAL 524 N -1.26 0.06 -0.01 -0.36 1.01 -1.26 -1.66 120.40 116.92 3kr4 s VAL 524 Ca 0.46 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3kr4 s VAL 524 Cb -0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3kr4 s VAL 524 CO 0.36 -0.26 -0.22 0.86 0.00 0.00 0.00 175.10 175.84 3kr4 s TRP 525 N -0.78 1.99 -0.12 5.22 -0.11 0.13 -4.90 118.94 120.38 3kr4 s TRP 525 Ca -0.09 -0.38 -0.30 0.00 1.22 0.00 0.00 56.10 56.56 3kr4 s TRP 525 Cb -0.05 -1.28 -0.02 0.00 -1.50 0.00 0.00 33.47 30.62 3kr4 s TRP 525 CO -0.00 -0.03 1.17 -0.46 -4.62 0.00 0.00 176.95 173.01 3kr4 s TRP 526 N -0.53 3.16 0.12 5.86 -0.00 -1.26 -0.71 118.94 125.57 3kr4 s TRP 526 Ca 0.09 1.24 0.09 0.00 -0.00 0.00 0.00 56.10 57.52 3kr4 s TRP 526 Cb -0.09 -3.39 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 3kr4 s TRP 526 CO -0.01 -1.16 -0.19 -0.51 -0.00 0.00 0.00 176.95 175.08 3kr4 s LEU 527 N 2.68 2.64 0.35 5.86 1.43 0.36 -4.91 118.68 127.10 3kr4 s LEU 527 Ca 0.53 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3kr4 s LEU 527 Cb -0.22 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 3kr4 s LEU 527 CO 0.17 0.18 0.82 -2.16 0.23 0.00 0.00 176.35 175.59 3kr4 s PRO 528 N -2.12 4.13 -0.41 1.29 0.04 -1.26 -4.26 135.00 132.40 3kr4 s PRO 528 Ca 0.17 0.87 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 3kr4 s PRO 528 Cb -0.10 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.06 3kr4 s PRO 528 CO 0.09 0.11 0.42 0.42 0.04 0.00 0.00 177.00 178.09 3kr4 s ILE 529 N -2.00 5.11 -0.49 0.56 1.01 -1.26 -4.83 121.20 119.30 3kr4 s ILE 529 Ca 0.56 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 3kr4 s ILE 529 Cb -0.11 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3kr4 s ILE 529 CO 0.16 -0.39 0.69 -0.63 0.00 0.00 0.00 174.94 174.77 3kr4 s ILE 530 N 2.08 4.76 0.55 2.92 1.01 -1.26 -4.92 121.20 126.35 3kr4 s ILE 530 Ca 0.11 -0.10 0.30 0.00 0.00 0.00 0.00 60.65 60.96 3kr4 s ILE 530 Cb -0.17 -4.31 0.34 0.00 0.01 0.00 0.00 42.46 38.34 3kr4 s ILE 530 CO 0.13 -0.78 2.22 0.78 0.00 0.00 0.00 174.94 177.29 3kr4 h ASN 531 N 9.01 0.00 -0.08 3.58 2.35 -1.99 -2.30 115.58 126.14 3kr4 h ASN 531 Ca -0.26 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3kr4 h ASN 531 Cb 1.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3kr4 h ASN 531 CO 0.96 0.03 0.08 -0.08 -1.65 0.00 0.00 177.43 176.77 3kr4 h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.04 -0.55 114.58 117.60 3kr4 h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kr4 h GLU 532 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3kr4 h GLU 532 CO 0.00 0.00 -0.13 0.66 -0.73 0.00 0.00 179.01 178.81 3kr4 n TYR 533 N -3.98 0.00 -0.19 0.92 0.53 -0.86 -4.06 117.16 109.51 3kr4 n TYR 533 Ca -0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.86 3kr4 n TYR 533 Cb 0.18 -0.42 0.10 0.00 -1.03 0.00 0.00 39.34 38.17 3kr4 n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kr4 h ARG 534 N 0.02 0.37 -0.35 -0.72 9.65 -1.26 -1.46 114.38 120.62 3kr4 h ARG 534 Ca 0.00 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.96 3kr4 h ARG 534 Cb 0.49 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3kr4 h ARG 534 CO 0.00 0.25 0.30 0.00 2.80 0.00 0.00 179.97 183.32 3kr4 h ALA 535 N 1.41 2.17 0.00 2.80 0.00 -1.77 0.38 119.26 124.24 3kr4 h ALA 535 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kr4 h ALA 535 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kr4 h ALA 535 CO -0.30 -0.48 0.00 0.25 0.00 0.00 0.00 179.25 178.71 3kr4 n THR 536 N -4.09 0.43 0.81 0.00 -2.24 -0.55 -2.00 114.28 106.64 3kr4 n THR 536 Ca 0.06 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 3kr4 n THR 536 Cb 0.47 -0.76 0.28 0.00 -2.10 0.00 0.00 70.33 68.22 3kr4 n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr4 n LEU 537 N -1.35 2.58 -4.69 3.22 4.77 0.12 -4.15 117.00 117.50 3kr4 n LEU 537 Ca 0.08 -1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 3kr4 n LEU 537 Cb 0.19 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3kr4 n LEU 537 CO 0.17 0.54 1.21 0.20 -1.33 0.00 0.00 177.39 178.17 3kr4 s ASN 538 N -1.58 6.75 -0.13 -1.43 0.01 -0.85 0.64 114.94 118.36 3kr4 s ASN 538 Ca 0.35 2.25 -0.07 0.00 -0.71 0.00 0.00 52.86 54.68 3kr4 s ASN 538 Cb 0.20 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3kr4 s ASN 538 CO 0.29 -0.79 0.12 -0.55 -1.51 0.00 0.00 177.10 174.66 3kr4 s SER 539 N 2.15 6.20 0.40 -1.22 0.15 -1.26 -4.67 113.70 115.44 3kr4 s SER 539 Ca 0.68 0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.78 3kr4 s SER 539 Cb -0.34 -2.00 0.82 0.00 -1.71 0.00 0.00 66.02 62.79 3kr4 s SER 539 CO 0.29 0.37 2.04 0.50 1.20 0.00 0.00 173.24 177.64 3kr4 h LYS 540 N 5.29 0.60 0.00 5.44 1.63 -1.97 -3.39 116.57 124.17 3kr4 h LYS 540 Ca -0.52 -0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 59.02 3kr4 h LYS 540 Cb 1.21 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 3kr4 h LYS 540 CO 0.60 0.40 -1.78 0.66 -3.45 0.00 0.00 179.45 175.89 3kr4 n TYR 541 N -4.47 0.00 -2.45 1.91 4.01 -1.26 -5.06 117.16 109.84 3kr4 n TYR 541 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 3kr4 n TYR 541 Cb 0.07 -0.51 0.11 0.00 -0.31 0.00 0.00 39.34 38.71 3kr4 n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kr4 s ALA 542 N -2.26 3.42 0.30 -0.72 0.00 -1.26 -4.99 121.76 116.25 3kr4 s ALA 542 Ca -0.19 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.29 3kr4 s ALA 542 Cb 0.07 -2.19 0.48 0.00 0.00 0.00 0.00 23.12 21.48 3kr4 s ALA 542 CO 0.27 -1.57 1.71 -0.44 0.00 0.00 0.00 175.76 175.72 3kr4 h ASP 543 N -0.69 0.20 -5.00 0.00 3.32 -1.71 -3.38 116.42 109.17 3kr4 h ASP 543 Ca -0.39 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 3kr4 h ASP 543 Cb 1.27 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3kr4 h ASP 543 CO 0.42 0.61 -0.03 -0.51 -1.72 0.00 0.00 179.24 178.01 3kr4 s ILE 544 N -4.11 0.03 0.13 0.35 2.07 -0.64 -4.51 121.20 114.53 3kr4 s ILE 544 Ca -0.04 -0.25 -0.27 0.00 -1.41 0.00 0.00 60.65 58.68 3kr4 s ILE 544 Cb 0.13 -0.84 -0.07 0.00 0.13 0.00 0.00 42.46 41.82 3kr4 s ILE 544 CO 0.77 -0.14 0.86 0.20 -1.91 0.00 0.00 174.94 174.72 3kr4 s ASN 545 N -1.38 7.43 0.19 4.50 0.01 0.21 -0.92 114.94 124.98 3kr4 s ASN 545 Ca -0.11 1.70 -0.11 0.00 -0.71 0.00 0.00 52.86 53.62 3kr4 s ASN 545 Cb -0.02 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.22 3kr4 s ASN 545 CO 0.06 0.07 1.82 -0.61 -1.51 0.00 0.00 177.10 176.92 3kr4 h GLN 546 N 5.01 0.93 -5.39 -0.60 4.15 -1.62 -3.46 115.11 114.12 3kr4 h GLN 546 Ca -0.45 -0.10 -0.44 0.00 0.77 0.00 0.00 58.65 58.43 3kr4 h GLN 546 Cb 1.21 -0.19 -0.14 0.00 0.21 0.00 0.00 27.48 28.57 3kr4 h GLN 546 CO 0.69 0.69 -0.69 0.96 -1.93 0.00 0.00 178.83 178.55 3kr4 s ILE 547 N -5.90 1.50 0.27 2.39 -4.36 -1.26 -4.92 121.20 108.92 3kr4 s ILE 547 Ca -0.13 -2.12 -0.22 0.00 -0.26 0.00 0.00 60.65 57.92 3kr4 s ILE 547 Cb 0.14 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 41.50 3kr4 s ILE 547 CO 0.78 -0.43 0.82 -0.55 0.24 0.00 0.00 174.94 175.80 3kr4 s SER 548 N -3.35 7.15 0.08 4.36 0.15 -1.26 -4.76 113.70 116.06 3kr4 s SER 548 Ca 0.26 1.58 0.19 0.00 0.70 0.00 0.00 55.95 58.68 3kr4 s SER 548 Cb 0.03 -2.48 -0.12 0.00 -1.71 0.00 0.00 66.02 61.74 3kr4 s SER 548 CO 0.09 -0.03 0.83 -1.54 1.20 0.00 0.00 173.24 173.79 3kr4 n SER 549 N 0.58 0.77 -0.10 5.45 3.41 -1.26 -4.65 113.62 117.82 3kr4 n SER 549 Ca -0.00 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 3kr4 n SER 549 Cb 0.51 0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 64.71 3kr4 n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kr4 n SER 550 N -2.79 1.25 -4.67 4.04 3.41 -1.26 -4.98 113.62 108.62 3kr4 n SER 550 Ca -0.08 -0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 3kr4 n SER 550 Cb 0.76 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 65.11 3kr4 n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr4 s VAL 551 N -2.43 5.02 -0.93 -3.33 1.01 -1.26 -4.92 120.40 113.55 3kr4 s VAL 551 Ca -0.17 1.23 0.26 0.00 0.00 0.00 0.00 61.98 63.31 3kr4 s VAL 551 Cb 0.06 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.60 3kr4 s VAL 551 CO 0.65 0.13 1.62 0.29 0.00 0.00 0.00 175.10 177.78 3kr4 n LYS 552 N 4.88 0.06 -1.26 2.72 5.02 -1.26 -4.54 118.16 123.78 3kr4 n LYS 552 Ca -0.01 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 3kr4 n LYS 552 Cb 0.50 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3kr4 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr4 n ALA 553 N -1.57 4.35 0.18 7.82 0.00 -1.26 -4.76 120.51 125.26 3kr4 n ALA 553 Ca 0.06 -3.31 0.04 0.00 0.00 0.00 0.00 53.44 50.22 3kr4 n ALA 553 Cb 0.36 -3.51 0.43 0.00 0.00 0.00 0.00 19.45 16.72 3kr4 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr4 h SER 554 N 7.00 0.09 -0.41 0.00 4.64 -1.98 -1.39 113.55 121.51 3kr4 h SER 554 Ca 0.50 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.67 3kr4 h SER 554 Cb 0.57 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3kr4 h SER 554 CO 1.87 0.30 -0.23 0.28 -0.87 0.00 0.00 176.83 178.18 3kr4 h SER 555 N 0.09 0.94 -0.24 4.97 0.02 -1.93 0.37 113.55 117.76 3kr4 h SER 555 Ca 0.02 -0.35 -0.14 0.00 -0.84 0.00 0.00 61.79 60.47 3kr4 h SER 555 Cb 0.42 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3kr4 h SER 555 CO 0.03 1.12 -0.39 0.40 -1.14 0.00 0.00 176.83 176.85 3kr4 h ILE 556 N 0.79 1.31 -0.01 3.27 2.04 -1.74 -2.48 117.51 120.70 3kr4 h ILE 556 Ca 0.10 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.38 3kr4 h ILE 556 Cb 0.79 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3kr4 h ILE 556 CO 0.07 0.50 -0.08 0.58 0.00 0.00 0.00 178.15 179.22 3kr4 h VAL 557 N 0.41 0.80 -0.79 1.67 2.07 -1.13 -1.22 116.25 118.06 3kr4 h VAL 557 Ca 0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.73 3kr4 h VAL 557 Cb 0.98 0.80 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 3kr4 h VAL 557 CO 0.09 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.83 3kr4 h ALA 558 N 0.86 1.02 -0.83 1.67 0.00 -0.94 -1.78 119.26 119.26 3kr4 h ALA 558 Ca 0.03 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kr4 h ALA 558 Cb 0.17 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3kr4 h ALA 558 CO -0.08 -0.40 0.39 0.77 0.00 0.00 0.00 179.25 179.92 3kr4 h SER 559 N 0.21 1.10 -0.84 0.00 0.02 -0.93 -0.56 113.55 112.55 3kr4 h SER 559 Ca 0.46 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3kr4 h SER 559 Cb 0.85 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 3kr4 h SER 559 CO -0.60 0.93 0.44 -0.07 -1.14 0.00 0.00 176.83 176.40 3kr4 h LEU 560 N 1.19 1.06 -0.09 5.07 3.38 -0.57 -0.86 115.31 124.49 3kr4 h LEU 560 Ca 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3kr4 h LEU 560 Cb 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kr4 h LEU 560 CO -0.03 0.86 -0.01 0.15 0.09 0.00 0.00 178.44 179.50 3kr4 h PHE 561 N 1.17 0.18 -0.89 1.13 3.04 -0.77 -3.11 116.94 117.69 3kr4 h PHE 561 Ca 0.29 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 3kr4 h PHE 561 Cb 0.05 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 3kr4 h PHE 561 CO 0.01 0.46 0.48 -0.07 -2.02 0.00 0.00 178.31 177.16 3kr4 h LEU 562 N -0.15 1.11 -1.88 0.59 3.38 -0.97 -2.40 115.31 115.00 3kr4 h LEU 562 Ca 0.02 -0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.11 3kr4 h LEU 562 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3kr4 h LEU 562 CO 0.01 0.90 0.56 0.50 0.09 0.00 0.00 178.44 180.50 3kr4 h LYS 563 N 1.25 0.10 0.00 1.13 3.64 -1.09 -0.10 116.57 121.49 3kr4 h LYS 563 Ca 0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3kr4 h LYS 563 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3kr4 h LYS 563 CO -0.05 0.06 0.00 0.39 -2.27 0.00 0.00 179.45 177.58 3kr4 n GLU 564 N -4.35 0.05 -0.37 1.90 -0.58 -0.90 -2.68 120.64 113.70 3kr4 n GLU 564 Ca 0.16 0.32 0.08 0.00 -0.42 0.00 0.00 57.16 57.30 3kr4 n GLU 564 Cb 0.80 -1.60 0.24 0.00 -0.57 0.00 0.00 31.44 30.32 3kr4 n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kr4 n PHE 565 N -1.69 0.88 -3.88 -0.32 3.01 -0.05 -4.82 117.46 110.58 3kr4 n PHE 565 Ca 0.03 -0.63 -0.28 0.00 1.01 0.00 0.00 57.45 57.58 3kr4 n PHE 565 Cb 0.16 -0.16 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 3kr4 n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kr4 s VAL 566 N -1.71 1.07 -0.15 -4.37 1.01 -1.09 -3.86 120.40 111.29 3kr4 s VAL 566 Ca 0.37 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3kr4 s VAL 566 Cb 0.24 -1.25 -0.24 0.00 0.00 0.00 0.00 36.38 35.13 3kr4 s VAL 566 CO 0.17 0.12 0.28 0.00 0.00 0.00 0.00 175.10 175.67 3kr4 n GLN 567 N 4.89 0.72 -1.72 2.72 3.00 -1.26 -4.76 117.38 120.96 3kr4 n GLN 567 Ca -0.12 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 3kr4 n GLN 567 Cb 0.48 -1.69 0.01 0.00 0.00 0.00 0.00 30.24 29.03 3kr4 n GLN 567 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3kr4 n ASN 568 N -3.62 0.18 -3.96 1.08 5.15 -1.26 -5.10 115.26 107.73 3kr4 n ASN 568 Ca -0.34 -2.03 -0.15 0.00 -0.60 0.00 0.00 54.58 51.46 3kr4 n ASN 568 Cb 0.99 -0.02 -0.14 0.00 -0.53 0.00 0.00 39.78 40.07 3kr4 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr4 s THR 569 N -0.63 0.37 0.04 -0.44 2.01 -1.26 -5.10 115.64 110.62 3kr4 s THR 569 Ca 0.19 -0.29 -0.32 0.00 0.31 0.00 0.00 61.69 61.59 3kr4 s THR 569 Cb 0.27 -0.33 -0.10 0.00 0.01 0.00 0.00 72.50 72.34 3kr4 s THR 569 CO -0.09 0.04 1.89 0.00 -0.69 0.00 0.00 174.62 175.77 3kr4 n ALA 570 N 2.80 1.56 -2.69 7.40 0.00 -1.25 -4.90 120.51 123.44 3kr4 n ALA 570 Ca -0.14 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 3kr4 n ALA 570 Cb 0.58 -2.59 -0.14 0.00 0.00 0.00 0.00 19.45 17.30 3kr4 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr4 s TRP 571 N 3.67 0.93 0.04 0.00 -0.00 -1.26 -1.28 118.94 121.04 3kr4 s TRP 571 Ca 0.87 -0.27 0.01 0.00 -0.00 0.00 0.00 56.10 56.72 3kr4 s TRP 571 Cb -0.53 -0.57 -0.02 0.00 -0.00 0.00 0.00 33.47 32.35 3kr4 s TRP 571 CO 0.43 -0.01 -0.06 0.00 -0.00 0.00 0.00 176.95 177.32 3kr4 s ALA 572 N -0.59 0.41 -0.07 5.86 0.00 -0.48 -1.34 121.76 125.55 3kr4 s ALA 572 Ca 0.01 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3kr4 s ALA 572 Cb -0.06 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3kr4 s ALA 572 CO 0.00 -0.11 -0.08 -1.58 0.00 0.00 0.00 175.76 173.99 3kr4 s HIS 573 N -1.68 1.23 -0.25 0.00 2.46 0.10 -1.06 115.29 116.09 3kr4 s HIS 573 Ca -0.10 -0.48 -0.03 0.00 0.47 0.00 0.00 55.06 54.92 3kr4 s HIS 573 Cb -0.08 -0.99 0.02 0.00 -0.13 0.00 0.00 32.58 31.39 3kr4 s HIS 573 CO -0.01 -0.32 -0.04 0.42 -2.47 0.00 0.00 174.74 172.32 3kr4 s ILE 574 N 1.09 3.11 -0.36 0.89 1.01 0.07 -1.24 121.20 125.78 3kr4 s ILE 574 Ca -0.07 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 3kr4 s ILE 574 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3kr4 s ILE 574 CO -0.01 0.22 0.31 -0.62 0.00 0.00 0.00 174.94 174.84 3kr4 s ASP 575 N 1.37 6.12 -0.16 3.58 -1.08 0.01 -1.23 116.67 125.28 3kr4 s ASP 575 Ca 0.01 -0.43 0.17 0.00 -0.52 0.00 0.00 52.55 51.78 3kr4 s ASP 575 Cb -0.16 -2.17 0.49 0.00 -1.46 0.00 0.00 42.92 39.62 3kr4 s ASP 575 CO -0.03 -0.32 1.38 2.30 0.52 0.00 0.00 175.17 179.01 3kr4 n ILE 576 N 5.19 2.17 -0.08 4.11 -5.35 0.70 -2.62 119.36 123.48 3kr4 n ILE 576 Ca -0.11 -1.88 0.12 0.00 -0.27 0.00 0.00 62.75 60.61 3kr4 n ILE 576 Cb 0.49 -0.21 0.51 0.00 -1.74 0.00 0.00 39.64 38.69 3kr4 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr4 h ALA 577 N 1.58 2.04 0.00 -1.28 0.00 -1.84 -1.79 119.26 117.97 3kr4 h ALA 577 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3kr4 h ALA 577 Cb 1.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kr4 h ALA 577 CO 0.18 -0.17 -1.25 0.78 0.00 0.00 0.00 179.25 178.79 3kr4 h GLY 578 N 0.39 0.00 0.00 0.00 0.00 -1.83 -3.39 103.07 98.24 3kr4 h GLY 578 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kr4 h GLY 578 CO -0.07 0.00 -1.15 1.55 0.00 0.00 0.00 176.54 176.86 3kr4 n VAL 579 N -3.00 0.00 -0.09 4.60 3.14 -0.99 -4.15 118.33 117.84 3kr4 n VAL 579 Ca -0.08 -0.23 -0.14 0.00 -2.96 0.00 0.00 64.34 60.93 3kr4 n VAL 579 Cb 0.85 0.63 -0.04 0.00 -1.06 0.00 0.00 33.84 34.22 3kr4 n VAL 579 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3kr4 h SER 580 N 0.00 0.84 -3.32 6.55 0.87 -1.54 -3.43 113.55 113.53 3kr4 h SER 580 Ca 0.00 -0.50 -0.62 0.00 -1.23 0.00 0.00 61.79 59.45 3kr4 h SER 580 Cb 0.52 -0.24 -0.16 0.00 -0.44 0.00 0.00 62.40 62.08 3kr4 h SER 580 CO 0.00 1.17 -0.56 0.86 -0.53 0.00 0.00 176.83 177.77 3kr4 s TRP 581 N -4.26 3.26 -0.79 2.24 -0.11 -1.26 -1.11 118.94 116.90 3kr4 s TRP 581 Ca -0.12 0.08 -0.22 0.00 1.22 0.00 0.00 56.10 57.06 3kr4 s TRP 581 Cb 0.09 -2.10 0.09 0.00 -1.50 0.00 0.00 33.47 30.05 3kr4 s TRP 581 CO 0.85 0.14 1.08 1.21 -4.62 0.00 0.00 176.95 175.61 3kr4 s ASN 582 N 0.46 6.36 0.17 5.86 3.84 0.73 -4.89 114.94 127.47 3kr4 s ASN 582 Ca 0.04 -1.36 -0.12 0.00 0.21 0.00 0.00 52.86 51.63 3kr4 s ASN 582 Cb -0.12 -2.43 0.08 0.00 -0.55 0.00 0.00 41.25 38.22 3kr4 s ASN 582 CO 0.00 -1.34 1.73 -0.26 -2.79 0.00 0.00 177.10 174.44 3kr4 h PHE 583 N 9.37 0.92 -0.28 0.43 -1.00 -1.96 0.23 116.94 124.64 3kr4 h PHE 583 Ca -0.09 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.61 3kr4 h PHE 583 Cb 1.05 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 3kr4 h PHE 583 CO 1.07 0.73 0.13 -0.22 -1.61 0.00 0.00 178.31 178.41 3kr4 h LYS 584 N 0.83 0.40 -0.00 1.51 3.64 -1.95 -2.90 116.57 118.11 3kr4 h LYS 584 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kr4 h LYS 584 Cb 0.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kr4 h LYS 584 CO -0.02 0.40 -0.21 0.00 -2.27 0.00 0.00 179.45 177.35 3kr4 n ALA 585 N -2.24 2.92 -2.75 5.00 0.00 -1.06 -4.95 120.51 117.43 3kr4 n ALA 585 Ca -0.02 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 3kr4 n ALA 585 Cb 0.11 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3kr4 n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kr4 n ARG 586 N -1.20 -2.99 -3.80 0.00 1.74 0.77 -5.00 116.66 106.17 3kr4 n ARG 586 Ca 0.10 0.49 -0.09 0.00 -0.77 0.00 0.00 57.85 57.58 3kr4 n ARG 586 Cb 0.31 -4.49 -0.04 0.00 -1.02 0.00 0.00 32.46 27.22 3kr4 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr4 s LYS 587 N -5.26 1.35 0.79 5.56 -2.85 -1.08 -5.02 119.74 113.23 3kr4 s LYS 587 Ca 0.19 -0.95 -0.11 0.00 -1.00 0.00 0.00 55.97 54.10 3kr4 s LYS 587 Cb -0.09 0.49 0.07 0.00 -2.06 0.00 0.00 37.83 36.24 3kr4 s LYS 587 CO 0.24 -0.56 1.09 -2.14 0.10 0.00 0.00 175.35 174.08 3kr4 s PRO 588 N -3.90 2.10 0.02 1.78 0.02 -1.26 -0.19 135.00 133.57 3kr4 s PRO 588 Ca 0.12 0.85 0.22 0.00 0.02 0.00 0.00 61.00 62.21 3kr4 s PRO 588 Cb -0.00 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3kr4 s PRO 588 CO -0.01 -1.66 0.93 1.63 -0.33 0.00 0.00 177.00 177.55 3kr4 n LYS 589 N -3.49 0.26 -3.06 5.54 5.02 -0.27 -4.65 118.16 117.50 3kr4 n LYS 589 Ca 0.07 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 3kr4 n LYS 589 Cb 0.55 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 3kr4 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr4 n GLY 590 N 1.39 -0.52 3.75 0.72 0.00 -1.26 -4.92 105.19 104.35 3kr4 n GLY 590 Ca 0.02 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3kr4 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr4 s PHE 591 N -3.20 3.01 0.00 1.61 5.36 -1.26 -3.46 117.98 120.04 3kr4 s PHE 591 Ca 0.33 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3kr4 s PHE 591 Cb -0.14 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3kr4 s PHE 591 CO 0.40 -2.58 0.00 0.41 -1.46 0.00 0.00 175.22 171.99 3kr4 n GLY 592 N 1.97 2.16 0.27 13.12 0.00 -1.26 -4.70 105.19 116.75 3kr4 n GLY 592 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3kr4 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr4 h VAL 593 N 0.00 0.45 -0.21 1.61 2.07 -1.75 0.10 116.25 118.53 3kr4 h VAL 593 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 3kr4 h VAL 593 Cb 0.00 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3kr4 h VAL 593 CO 0.00 0.00 -0.69 0.03 0.02 0.00 0.00 177.57 176.93 3kr4 h ARG 594 N -0.34 0.84 -0.15 1.57 3.08 -1.90 -0.75 114.38 116.74 3kr4 h ARG 594 Ca 0.08 -0.62 0.05 0.00 0.07 0.00 0.00 59.98 59.56 3kr4 h ARG 594 Cb 0.44 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3kr4 h ARG 594 CO -0.25 1.24 -0.19 1.25 -1.07 0.00 0.00 179.97 180.95 3kr4 h LEU 595 N 0.60 -0.58 -0.68 3.04 5.85 -1.82 0.17 115.31 121.90 3kr4 h LEU 595 Ca -0.03 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3kr4 h LEU 595 Cb 1.31 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 3kr4 h LEU 595 CO 0.15 -0.23 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.70 3kr4 h LEU 596 N -0.23 0.78 -0.39 2.25 3.38 -0.70 -1.90 115.31 118.51 3kr4 h LEU 596 Ca 0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3kr4 h LEU 596 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kr4 h LEU 596 CO -0.28 0.99 0.13 0.74 0.09 0.00 0.00 178.44 180.11 3kr4 h THR 597 N 0.67 1.21 -0.76 0.22 2.02 -0.82 -1.53 112.91 113.91 3kr4 h THR 597 Ca 0.09 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3kr4 h THR 597 Cb 0.75 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3kr4 h THR 597 CO 0.06 0.24 0.47 -0.33 0.37 0.00 0.00 175.52 176.34 3kr4 h GLU 598 N 0.49 1.02 -0.16 6.66 4.39 -0.58 0.13 114.58 126.52 3kr4 h GLU 598 Ca 0.13 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3kr4 h GLU 598 Cb 0.25 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3kr4 h GLU 598 CO -0.00 0.70 -0.05 0.35 -1.16 0.00 0.00 179.01 178.85 3kr4 h PHE 599 N 1.04 -0.11 -0.17 4.33 3.57 -1.03 -0.33 116.94 124.25 3kr4 h PHE 599 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3kr4 h PHE 599 Cb -0.07 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kr4 h PHE 599 CO 0.00 -0.08 0.06 0.28 -2.23 0.00 0.00 178.31 176.34 3kr4 h VAL 600 N -0.01 1.17 -0.53 1.41 2.07 -0.88 -2.81 116.25 116.67 3kr4 h VAL 600 Ca 0.08 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 3kr4 h VAL 600 Cb 0.14 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3kr4 h VAL 600 CO -0.18 0.16 -0.12 -0.07 0.02 0.00 0.00 177.57 177.39 3kr4 h LEU 601 N 0.11 1.03 -0.13 2.57 4.07 -0.82 -2.82 115.31 119.31 3kr4 h LEU 601 Ca 0.06 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3kr4 h LEU 601 Cb 0.20 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.66 3kr4 h LEU 601 CO -0.00 1.14 -0.14 0.59 -1.08 0.00 0.00 178.44 178.95 3kr4 n ASN 602 N -4.16 0.34 -0.48 -0.43 4.13 -0.15 -5.07 115.26 109.45 3kr4 n ASN 602 Ca 0.01 -0.28 0.14 0.00 1.68 0.00 0.00 54.58 56.14 3kr4 n ASN 602 Cb 0.41 -0.13 0.53 0.00 -1.54 0.00 0.00 39.78 39.05 3kr4 n ASN 602 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87