#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 3.79 0.19 1.43 4.04 -1.26 -4.96 118.70 121.93 3kr5 s GLU 87 Ca 0.00 -0.06 -0.32 0.00 0.04 0.00 0.00 54.97 54.63 3kr5 s GLU 87 Cb 0.00 -3.74 -0.12 0.00 0.02 0.00 0.00 34.13 30.29 3kr5 s GLU 87 CO 0.00 -0.48 1.76 0.28 -1.84 0.00 0.00 175.26 174.98 3kr5 n VAL 88 N 5.27 0.10 -1.37 1.83 0.31 -1.26 -4.97 118.33 118.24 3kr5 n VAL 88 Ca -0.06 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 63.96 3kr5 n VAL 88 Cb 0.50 -2.03 0.13 0.00 -0.91 0.00 0.00 33.84 31.53 3kr5 n VAL 88 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3kr5 s PRO 89 N 1.59 1.40 -0.00 5.55 0.04 -1.26 -4.98 135.00 137.33 3kr5 s PRO 89 Ca 0.77 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3kr5 s PRO 89 Cb -0.50 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3kr5 s PRO 89 CO 0.33 -2.10 0.00 -0.65 0.04 0.00 0.00 177.00 174.63 3kr5 s GLN 90 N -5.07 -0.00 -0.07 4.56 -0.21 -1.26 -5.00 119.66 112.61 3kr5 s GLN 90 Ca 0.63 0.02 -0.20 0.00 0.02 0.00 0.00 55.36 55.83 3kr5 s GLN 90 Cb -0.16 -0.03 -0.30 0.00 1.00 0.00 0.00 33.01 33.52 3kr5 s GLN 90 CO 0.55 -0.02 0.77 0.28 -2.12 0.00 0.00 175.29 174.76 3kr5 h VAL 91 N 5.27 1.33 -3.57 1.09 2.07 -1.96 -3.49 116.25 116.99 3kr5 h VAL 91 Ca -0.26 -2.49 -0.30 0.00 0.82 0.00 0.00 66.70 64.47 3kr5 h VAL 91 Cb 1.20 3.02 -0.15 0.00 -1.52 0.00 0.00 31.29 33.84 3kr5 h VAL 91 CO 0.51 0.71 -0.69 0.68 0.02 0.00 0.00 177.57 178.79 3kr5 s VAL 92 N -2.45 0.92 0.10 2.57 -7.23 -1.26 -5.04 120.40 108.01 3kr5 s VAL 92 Ca -0.16 -2.01 0.25 0.00 -1.81 0.00 0.00 61.98 58.25 3kr5 s VAL 92 Cb 0.02 -1.93 0.25 0.00 0.56 0.00 0.00 36.38 35.28 3kr5 s VAL 92 CO 0.81 -0.67 1.73 0.77 -0.31 0.00 0.00 175.10 177.43 3kr5 h SER 93 N 2.77 0.00 -0.09 4.85 4.64 -2.04 -0.83 113.55 122.86 3kr5 h SER 93 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3kr5 h SER 93 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kr5 h SER 93 CO 0.64 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.78 3kr5 n LEU 94 N -2.42 2.80 -4.61 5.97 4.77 -1.26 -4.93 117.00 117.31 3kr5 n LEU 94 Ca -0.02 -1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 54.43 3kr5 n LEU 94 Cb 0.15 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3kr5 n LEU 94 CO 0.11 0.51 1.42 -1.81 -1.33 0.00 0.00 177.39 176.29 3kr5 s ASP 95 N -1.63 6.18 0.19 -1.43 1.01 -0.32 -4.94 116.67 115.74 3kr5 s ASP 95 Ca 0.26 1.39 -0.31 0.00 0.71 0.00 0.00 52.55 54.59 3kr5 s ASP 95 Cb 0.18 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.42 3kr5 s ASP 95 CO 0.26 -1.46 0.98 -0.81 0.21 0.00 0.00 175.17 174.35 3kr5 n PRO 96 N 8.03 0.88 -0.58 8.23 -0.04 -1.26 -4.85 135.00 145.41 3kr5 n PRO 96 Ca 0.20 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.05 3kr5 n PRO 96 Cb 0.46 -1.67 0.32 0.00 -0.04 0.00 0.00 33.50 32.57 3kr5 n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kr5 n THR 97 N 0.86 2.05 -3.68 0.52 -2.24 -1.26 -4.78 114.28 105.76 3kr5 n THR 97 Ca 0.15 -1.40 0.02 0.00 -2.27 0.00 0.00 64.05 60.55 3kr5 n THR 97 Cb 0.25 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3kr5 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 98 N -1.17 -0.03 -0.35 3.42 1.04 -1.26 -4.70 113.70 110.64 3kr5 s SER 98 Ca 0.46 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 3kr5 s SER 98 Cb 0.33 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 3kr5 s SER 98 CO 0.18 -0.24 0.27 -0.63 0.98 0.00 0.00 173.24 173.80 3kr5 s ILE 99 N -2.27 5.26 0.24 -1.02 1.01 -1.26 -4.82 121.20 118.35 3kr5 s ILE 99 Ca 0.17 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 3kr5 s ILE 99 Cb 0.04 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 3kr5 s ILE 99 CO -0.04 -0.08 1.48 -0.81 0.00 0.00 0.00 174.94 175.50 3kr5 n PRO 100 N 5.16 2.21 -3.74 2.79 -0.04 -1.26 -5.00 135.00 135.12 3kr5 n PRO 100 Ca -0.12 0.79 -0.16 0.00 -0.04 0.00 0.00 63.50 63.98 3kr5 n PRO 100 Cb 0.49 -2.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 3kr5 n PRO 100 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kr5 s ILE 101 N 0.13 -0.08 -0.34 0.52 -1.09 -1.26 -4.98 121.20 114.10 3kr5 s ILE 101 Ca 0.69 0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 59.24 3kr5 s ILE 101 Cb -0.62 -0.14 -0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3kr5 s ILE 101 CO 0.47 0.11 0.22 -1.61 -1.23 0.00 0.00 174.94 172.90 3kr5 s GLU 102 N 1.36 3.44 -0.08 2.79 2.02 -1.26 -4.95 118.70 122.02 3kr5 s GLU 102 Ca -0.06 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 3kr5 s GLU 102 Cb -0.12 -3.75 -0.29 0.00 0.10 0.00 0.00 34.13 30.07 3kr5 s GLU 102 CO -0.04 -0.45 0.56 1.88 0.02 0.00 0.00 175.26 177.23 3kr5 h TYR 103 N 8.46 0.58 -0.82 1.61 -1.99 -2.02 -3.41 116.97 119.38 3kr5 h TYR 103 Ca -0.31 -0.42 -0.70 0.00 2.00 0.00 0.00 58.73 59.29 3kr5 h TYR 103 Cb 1.15 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 39.78 3kr5 h TYR 103 CO 0.65 1.67 2.63 0.09 -0.00 0.00 0.00 178.16 183.21 3kr5 n ASN 104 N -3.68 8.11 -4.77 3.88 5.03 -1.26 -4.98 115.26 117.59 3kr5 n ASN 104 Ca -0.27 -2.98 -0.39 0.00 0.87 0.00 0.00 54.58 51.82 3kr5 n ASN 104 Cb 1.01 -1.41 -0.00 0.00 -1.02 0.00 0.00 39.78 38.36 3kr5 n ASN 104 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kr5 s THR 105 N -0.30 2.79 0.62 3.41 -4.23 -1.26 -4.83 115.64 111.84 3kr5 s THR 105 Ca 0.59 0.66 0.23 0.00 -1.18 0.00 0.00 61.69 61.98 3kr5 s THR 105 Cb 0.20 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.98 3kr5 s THR 105 CO -0.09 0.06 1.41 -0.65 -0.54 0.00 0.00 174.62 174.81 3kr5 h PRO 106 N 2.40 0.00 0.00 3.99 0.11 -1.98 0.66 132.00 137.18 3kr5 h PRO 106 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kr5 h PRO 106 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kr5 h PRO 106 CO 0.61 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.51 3kr5 n ILE 107 N -3.17 0.77 0.04 4.15 2.08 -1.26 -2.17 119.36 119.80 3kr5 n ILE 107 Ca 0.14 0.14 -0.08 0.00 0.56 0.00 0.00 62.75 63.51 3kr5 n ILE 107 Cb 1.18 -0.98 -0.13 0.00 -0.75 0.00 0.00 39.64 38.96 3kr5 n ILE 107 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 3kr5 h HIS 108 N 0.00 0.04 -0.00 1.39 3.86 0.02 -3.32 115.15 117.14 3kr5 h HIS 108 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3kr5 h HIS 108 Cb 0.40 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3kr5 h HIS 108 CO 0.00 1.03 0.00 -0.25 0.86 0.00 0.00 177.93 179.57 3kr5 n ASP 109 N -3.28 0.00 -4.66 2.45 8.00 -0.92 -4.77 116.55 113.37 3kr5 n ASP 109 Ca -0.06 -1.66 -0.40 0.00 0.71 0.00 0.00 54.79 53.38 3kr5 n ASP 109 Cb 0.98 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.02 3kr5 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr5 s ILE 110 N -2.00 5.00 -0.09 0.53 1.01 -1.25 -4.72 121.20 119.68 3kr5 s ILE 110 Ca 0.16 1.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.86 3kr5 s ILE 110 Cb 0.07 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3kr5 s ILE 110 CO 0.13 0.10 0.60 -0.75 0.00 0.00 0.00 174.94 175.01 3kr5 s LYS 111 N 1.93 4.39 -0.18 2.79 2.20 -0.97 -4.88 119.74 125.03 3kr5 s LYS 111 Ca 0.30 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 56.58 3kr5 s LYS 111 Cb -0.16 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3kr5 s LYS 111 CO 0.11 0.12 -0.10 0.08 -0.36 0.00 0.00 175.35 175.19 3kr5 s VAL 112 N 0.69 3.05 0.08 4.02 1.01 -1.26 -0.11 120.40 127.88 3kr5 s VAL 112 Ca 0.32 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3kr5 s VAL 112 Cb -0.17 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3kr5 s VAL 112 CO 0.15 0.48 -0.24 -1.10 0.00 0.00 0.00 175.10 174.39 3kr5 s GLN 113 N 0.98 1.39 -0.11 2.72 -1.52 0.09 -5.00 119.66 118.22 3kr5 s GLN 113 Ca -0.01 -1.15 -0.02 0.00 -1.95 0.00 0.00 55.36 52.23 3kr5 s GLN 113 Cb -0.15 -1.67 0.04 0.00 -0.22 0.00 0.00 33.01 31.02 3kr5 s GLN 113 CO -0.01 0.41 0.02 0.14 -0.25 0.00 0.00 175.29 175.59 3kr5 s VAL 114 N -0.98 0.39 -0.07 1.09 -7.23 -1.25 0.12 120.40 112.47 3kr5 s VAL 114 Ca 0.10 -0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.25 3kr5 s VAL 114 Cb -0.10 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.16 3kr5 s VAL 114 CO 0.04 0.11 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.40 3kr5 s TYR 115 N 1.95 2.51 0.12 2.82 4.12 0.45 -4.91 117.35 124.40 3kr5 s TYR 115 Ca 0.03 -0.67 -0.31 0.00 0.02 0.00 0.00 57.07 56.14 3kr5 s TYR 115 Cb -0.14 -1.63 -0.11 0.00 -1.52 0.00 0.00 41.96 38.57 3kr5 s TYR 115 CO -0.06 -0.18 1.86 -3.47 0.02 0.00 0.00 175.55 173.71 3kr5 n ASP 116 N 2.96 4.08 0.27 2.29 2.03 -1.26 -1.53 116.55 125.39 3kr5 n ASP 116 Ca -0.18 0.98 0.10 0.00 0.52 0.00 0.00 54.79 56.21 3kr5 n ASP 116 Cb 0.52 -1.55 0.71 0.00 -0.72 0.00 0.00 41.12 40.08 3kr5 n ASP 116 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3kr5 h ILE 117 N 4.75 0.88 -0.98 5.18 2.10 -1.78 -2.36 117.51 125.30 3kr5 h ILE 117 Ca -0.47 -0.02 0.16 0.00 1.08 0.00 0.00 64.86 65.61 3kr5 h ILE 117 Cb 1.22 1.01 -0.09 0.00 -1.09 0.00 0.00 36.82 37.87 3kr5 h ILE 117 CO 0.95 0.01 0.61 0.11 -1.08 0.00 0.00 178.15 178.75 3kr5 h LYS 118 N 0.00 0.79 0.00 2.19 1.57 -1.88 0.24 116.57 119.48 3kr5 h LYS 118 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kr5 h LYS 118 Cb 0.01 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3kr5 h LYS 118 CO 0.00 0.52 0.00 0.78 -0.57 0.00 0.00 179.45 180.18 3kr5 h GLY 119 N 0.81 0.00 0.00 3.86 0.00 -1.80 -3.48 103.07 102.46 3kr5 h GLY 119 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3kr5 h GLY 119 CO -0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.86 3kr5 n GLY 120 N -1.13 1.50 3.44 4.60 0.00 0.07 -5.03 105.19 108.66 3kr5 n GLY 120 Ca -0.03 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N 0.41 6.98 -0.52 0.00 -0.87 -1.26 -0.12 114.94 119.55 3kr5 s ASN 122 Ca -0.06 1.18 -0.04 0.00 -1.57 0.00 0.00 52.86 52.36 3kr5 s ASN 122 Cb -0.15 -2.41 0.14 0.00 -0.02 0.00 0.00 41.25 38.81 3kr5 s ASN 122 CO 0.04 -0.13 0.35 -0.69 -2.57 0.00 0.00 177.10 174.10 3kr5 s VAL 123 N 0.87 3.72 -0.07 1.60 1.01 -1.26 -4.92 120.40 121.34 3kr5 s VAL 123 Ca 0.37 -2.39 -0.09 0.00 0.00 0.00 0.00 61.98 59.87 3kr5 s VAL 123 Cb -0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3kr5 s VAL 123 CO 0.18 -0.80 -0.17 -0.62 0.00 0.00 0.00 175.10 173.69 3kr5 n GLU 124 N 4.17 0.26 -2.54 2.72 4.71 -1.26 -4.82 120.64 123.88 3kr5 n GLU 124 Ca 0.02 0.10 -0.06 0.00 -0.01 0.00 0.00 57.16 57.21 3kr5 n GLU 124 Cb 0.40 -0.90 -0.02 0.00 -1.01 0.00 0.00 31.44 29.91 3kr5 n GLU 124 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3kr5 n GLU 125 N -3.62 0.67 0.00 3.49 0.28 -1.26 -4.78 120.64 115.42 3kr5 n GLU 125 Ca -0.07 -0.79 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 3kr5 n GLU 125 Cb 0.25 0.48 0.00 0.00 1.43 0.00 0.00 31.44 33.60 3kr5 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kr5 n GLY 126 N 1.19 0.84 3.67 -1.84 0.00 -1.26 -4.73 105.19 103.06 3kr5 n GLY 126 Ca -0.01 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 3kr5 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr5 s LEU 127 N 0.00 3.54 -0.19 0.99 2.96 -0.55 -2.16 118.68 123.27 3kr5 s LEU 127 Ca 0.00 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3kr5 s LEU 127 Cb 0.00 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.91 3kr5 s LEU 127 CO 0.00 0.37 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.35 3kr5 s THR 128 N -0.89 1.96 -0.12 3.68 2.01 -0.28 0.12 115.64 122.13 3kr5 s THR 128 Ca 0.13 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 3kr5 s THR 128 Cb -0.11 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3kr5 s THR 128 CO 0.03 0.39 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.65 3kr5 s ILE 129 N 1.30 3.67 -0.12 1.82 -1.09 0.89 -1.31 121.20 126.35 3kr5 s ILE 129 Ca 0.02 -0.46 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 3kr5 s ILE 129 Cb -0.15 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 3kr5 s ILE 129 CO -0.11 0.54 0.19 -0.36 -1.23 0.00 0.00 174.94 173.98 3kr5 s PHE 130 N -0.08 3.56 -0.64 3.97 0.40 -0.74 0.83 117.98 125.28 3kr5 s PHE 130 Ca 0.01 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 3kr5 s PHE 130 Cb -0.13 -2.09 0.16 0.00 0.51 0.00 0.00 43.02 41.47 3kr5 s PHE 130 CO 0.03 0.57 0.59 -0.51 0.70 0.00 0.00 175.22 176.60 3kr5 s LEU 131 N -0.56 6.37 -0.04 -0.37 1.43 0.13 -0.36 118.68 125.28 3kr5 s LEU 131 Ca 0.15 -2.11 0.06 0.00 -1.03 0.00 0.00 54.13 51.20 3kr5 s LEU 131 Cb -0.13 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 3kr5 s LEU 131 CO 0.04 -0.76 -0.21 0.68 0.23 0.00 0.00 176.35 176.34 3kr5 s VAL 132 N 1.09 2.50 0.21 -1.59 -7.23 -0.98 -1.88 120.40 112.52 3kr5 s VAL 132 Ca 0.08 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.40 3kr5 s VAL 132 Cb -0.23 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3kr5 s VAL 132 CO -0.01 0.58 -0.15 0.54 -0.31 0.00 0.00 175.10 175.75 3kr5 s ASN 133 N -0.55 2.67 -0.58 4.85 4.22 -1.26 -0.63 114.94 123.65 3kr5 s ASN 133 Ca 0.08 -1.00 0.03 0.00 -2.14 0.00 0.00 52.86 49.82 3kr5 s ASN 133 Cb -0.11 -0.15 0.15 0.00 1.28 0.00 0.00 41.25 42.41 3kr5 s ASN 133 CO 0.01 -0.14 0.35 0.21 -2.04 0.00 0.00 177.10 175.49 3kr5 s ASN 134 N -3.25 4.63 -0.35 3.54 3.84 -0.51 -4.91 114.94 117.93 3kr5 s ASN 134 Ca 0.22 -3.13 -0.04 0.00 0.21 0.00 0.00 52.86 50.12 3kr5 s ASN 134 Cb -0.02 -1.69 -0.11 0.00 -0.55 0.00 0.00 41.25 38.88 3kr5 s ASN 134 CO 0.07 -0.24 2.17 -2.65 -2.79 0.00 0.00 177.10 173.67 3kr5 n PRO 135 N 2.99 1.47 -0.45 0.43 -0.02 -1.25 -4.22 135.00 133.95 3kr5 n PRO 135 Ca 0.08 -0.90 -0.20 0.00 -2.02 0.00 0.00 63.50 60.46 3kr5 n PRO 135 Cb 0.34 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3kr5 n PRO 135 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3kr5 n LYS 137 N 3.31 0.00 -1.62 -0.52 2.85 -1.26 -4.99 118.16 115.93 3kr5 n LYS 137 Ca 0.31 0.00 -0.55 0.00 -1.05 0.00 0.00 58.31 57.02 3kr5 n LYS 137 Cb 0.36 -0.49 -0.07 0.00 -0.65 0.00 0.00 35.03 34.18 3kr5 n LYS 137 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kr5 n GLU 138 N 2.23 0.95 -4.23 -1.58 4.71 -1.26 0.36 120.64 121.82 3kr5 n GLU 138 Ca 0.16 0.34 -0.30 0.00 -0.01 0.00 0.00 57.16 57.36 3kr5 n GLU 138 Cb -0.01 -1.97 -0.08 0.00 -1.01 0.00 0.00 31.44 28.37 3kr5 n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kr5 n ASN 139 N 3.18 0.50 -4.22 1.62 5.03 -1.26 -4.95 115.26 115.16 3kr5 n ASN 139 Ca 0.21 -1.21 -0.28 0.00 0.87 0.00 0.00 54.58 54.17 3kr5 n ASN 139 Cb 0.15 -1.98 0.17 0.00 -1.02 0.00 0.00 39.78 37.10 3kr5 n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kr5 s GLY 140 N -4.34 1.79 0.77 7.41 0.00 0.16 -4.44 107.32 108.66 3kr5 s GLY 140 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 44.72 43.23 3kr5 s GLY 140 CO 0.97 -0.64 1.21 2.56 0.00 0.00 0.00 173.10 177.20 3kr5 s PRO 141 N -5.73 1.90 -0.01 2.90 0.04 -1.26 -1.11 135.00 131.73 3kr5 s PRO 141 Ca 0.73 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.32 3kr5 s PRO 141 Cb -0.04 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 3kr5 s PRO 141 CO 0.51 -2.01 0.58 0.08 0.04 0.00 0.00 177.00 176.19 3kr5 s VAL 142 N -2.07 4.93 -0.22 -0.36 1.01 -0.47 -4.70 120.40 118.52 3kr5 s VAL 142 Ca 0.74 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.88 3kr5 s VAL 142 Cb -0.29 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.27 3kr5 s VAL 142 CO 0.48 0.42 0.20 -0.54 0.00 0.00 0.00 175.10 175.66 3kr5 s LYS 143 N -0.20 0.19 0.05 2.72 1.02 -1.26 -3.64 119.74 118.62 3kr5 s LYS 143 Ca 0.30 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 3kr5 s LYS 143 Cb -0.18 -1.23 -0.05 0.00 -0.52 0.00 0.00 37.83 35.85 3kr5 s LYS 143 CO 0.17 -0.76 1.13 0.42 -0.92 0.00 0.00 175.35 175.39 3kr5 s ILE 144 N 2.27 4.25 -0.22 2.17 -1.09 -1.26 -4.96 121.20 122.36 3kr5 s ILE 144 Ca 0.07 1.63 -0.17 0.00 -2.23 0.00 0.00 60.65 59.95 3kr5 s ILE 144 Cb -0.16 -4.05 -0.14 0.00 -1.58 0.00 0.00 42.46 36.54 3kr5 s ILE 144 CO -0.18 0.14 -0.07 -0.24 -1.23 0.00 0.00 174.94 173.36 3kr5 n SER 145 N 3.83 1.89 -4.73 3.58 2.88 -1.26 -4.99 113.62 114.81 3kr5 n SER 145 Ca 0.08 0.42 -0.40 0.00 -1.33 0.00 0.00 58.87 57.64 3kr5 n SER 145 Cb 0.48 -0.89 0.02 0.00 -0.75 0.00 0.00 64.21 63.07 3kr5 n SER 145 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3kr5 n SER 146 N -4.40 2.82 -4.77 -3.46 7.64 -1.26 -4.98 113.62 105.21 3kr5 n SER 146 Ca -0.34 1.07 -0.38 0.00 1.01 0.00 0.00 58.87 60.23 3kr5 n SER 146 Cb 0.68 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 3kr5 n SER 146 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kr5 s LYS 147 N -2.50 4.34 -0.10 1.43 0.00 -1.26 -4.96 119.74 116.70 3kr5 s LYS 147 Ca 0.64 1.61 -0.02 0.00 0.00 0.00 0.00 55.97 58.21 3kr5 s LYS 147 Cb -0.46 -2.78 0.04 0.00 0.00 0.00 0.00 37.83 34.63 3kr5 s LYS 147 CO 0.55 -0.01 0.02 0.08 0.00 0.00 0.00 175.35 176.00 3kr5 s VAL 148 N -1.47 0.29 -0.98 1.79 1.01 -1.26 -0.83 120.40 118.95 3kr5 s VAL 148 Ca 0.53 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3kr5 s VAL 148 Cb -0.26 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3kr5 s VAL 148 CO 0.32 0.11 0.23 0.59 0.00 0.00 0.00 175.10 176.36 3kr5 n ASN 149 N 5.16 0.46 -4.02 3.32 3.02 0.83 -4.71 115.26 119.33 3kr5 n ASN 149 Ca -0.07 -0.89 -0.30 0.00 -0.03 0.00 0.00 54.58 53.29 3kr5 n ASN 149 Cb 0.49 -0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 39.28 3kr5 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kr5 s ASP 150 N -0.52 2.82 0.09 6.41 2.15 -1.26 -4.93 116.67 121.43 3kr5 s ASP 150 Ca 0.00 -0.56 -0.35 0.00 0.43 0.00 0.00 52.55 52.07 3kr5 s ASP 150 Cb 0.00 -1.19 -0.16 0.00 -0.30 0.00 0.00 42.92 41.27 3kr5 s ASP 150 CO 0.00 -0.07 1.55 0.07 -0.17 0.00 0.00 175.17 176.55 3kr5 h LYS 151 N 8.04 -0.83 -0.00 4.34 2.10 -1.96 -0.81 116.57 127.43 3kr5 h LYS 151 Ca -0.37 0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.26 3kr5 h LYS 151 Cb 1.13 0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3kr5 h LYS 151 CO 0.52 -0.56 -0.36 -0.56 -2.00 0.00 0.00 179.45 176.50 3kr5 h GLN 152 N -0.86 0.01 0.12 0.07 3.07 -1.90 -2.89 115.11 112.72 3kr5 h GLN 152 Ca -0.03 -0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.40 3kr5 h GLN 152 Cb 0.80 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 3kr5 h GLN 152 CO -0.18 0.37 -1.55 0.28 0.09 0.00 0.00 178.83 177.84 3kr5 h VAL 153 N 0.01 1.14 -0.24 1.86 2.07 -1.84 -3.29 116.25 115.96 3kr5 h VAL 153 Ca -0.00 -2.78 0.07 0.00 0.82 0.00 0.00 66.70 64.81 3kr5 h VAL 153 Cb 0.64 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3kr5 h VAL 153 CO 0.05 0.82 0.28 0.28 0.02 0.00 0.00 177.57 179.01 3kr5 h SER 154 N 0.07 0.00 -0.07 0.57 0.02 -0.93 0.39 113.55 113.60 3kr5 h SER 154 Ca -0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3kr5 h SER 154 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3kr5 h SER 154 CO 0.16 0.00 -0.32 -0.08 -1.14 0.00 0.00 176.83 175.45 3kr5 h GLU 155 N 0.00 0.34 -0.95 3.45 4.57 -1.60 -1.74 114.58 118.65 3kr5 h GLU 155 Ca 0.12 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.09 3kr5 h GLU 155 Cb 0.67 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 3kr5 h GLU 155 CO -0.00 0.92 0.62 0.35 -1.18 0.00 0.00 179.01 179.71 3kr5 h PHE 156 N -0.15 1.11 0.00 0.92 3.57 -1.27 -2.55 116.94 118.58 3kr5 h PHE 156 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kr5 h PHE 156 Cb 0.98 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3kr5 h PHE 156 CO 0.13 0.56 0.00 1.28 -2.23 0.00 0.00 178.31 178.05 3kr5 n LEU 157 N -4.51 0.37 -4.54 0.59 4.77 -0.01 -4.54 117.00 109.12 3kr5 n LEU 157 Ca 0.15 0.54 -0.46 0.00 -0.03 0.00 0.00 56.01 56.21 3kr5 n LEU 157 Cb 0.22 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3kr5 n LEU 157 CO 0.32 -0.09 0.44 0.29 -1.33 0.00 0.00 177.39 177.03 3kr5 n LYS 158 N -1.84 1.02 -0.26 3.23 4.76 -0.66 -4.61 118.16 119.79 3kr5 n LYS 158 Ca 0.06 0.36 0.17 0.00 -2.87 0.00 0.00 58.31 56.03 3kr5 n LYS 158 Cb 0.38 -1.65 0.45 0.00 -1.84 0.00 0.00 35.03 32.37 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kr5 h ASP 159 N 1.84 0.52 1.16 4.39 3.32 -1.91 -0.41 116.42 125.34 3kr5 h ASP 159 Ca -0.37 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3kr5 h ASP 159 Cb 1.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3kr5 h ASP 159 CO 0.60 0.22 0.00 -0.62 -1.72 0.00 0.00 179.24 177.72 3kr5 n GLU 160 N -4.56 0.14 0.01 3.56 -0.58 -1.26 -0.10 120.64 117.86 3kr5 n GLU 160 Ca 0.19 0.16 -0.21 0.00 -0.42 0.00 0.00 57.16 56.89 3kr5 n GLU 160 Cb 0.63 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.68 3kr5 n GLU 160 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3kr5 h ASN 161 N 0.00 0.39 0.18 1.62 -1.24 -1.38 -3.39 115.58 111.77 3kr5 h ASN 161 Ca 0.00 -0.87 -0.24 0.00 0.71 0.00 0.00 56.30 55.90 3kr5 h ASN 161 Cb 0.58 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.52 3kr5 h ASN 161 CO 0.00 1.55 -0.96 0.24 -1.29 0.00 0.00 177.43 176.97 3kr5 h MET 162 N -0.35 0.54 -0.93 6.67 2.86 -1.23 -2.76 114.93 119.73 3kr5 h MET 162 Ca -0.26 -0.56 0.27 0.00 -2.06 0.00 0.00 59.70 57.09 3kr5 h MET 162 Cb 1.71 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 33.49 3kr5 h MET 162 CO 0.07 1.19 1.16 0.93 1.06 0.00 0.00 176.91 181.32 3kr5 h GLU 163 N 0.31 0.00 0.00 1.72 5.08 -0.57 1.00 114.58 122.12 3kr5 h GLU 163 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3kr5 h GLU 163 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 3kr5 h GLU 163 CO 0.18 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.82 3kr5 n LYS 164 N -3.22 0.12 -4.41 2.33 5.02 -1.04 -4.73 118.16 112.23 3kr5 n LYS 164 Ca 0.21 0.28 -0.27 0.00 -2.02 0.00 0.00 58.31 56.50 3kr5 n LYS 164 Cb 1.44 -1.70 -0.12 0.00 -0.02 0.00 0.00 35.03 34.63 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kr5 s PHE 165 N -3.14 2.34 0.39 2.13 0.40 0.35 -5.07 117.98 115.37 3kr5 s PHE 165 Ca 0.07 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.13 3kr5 s PHE 165 Cb 0.11 -1.17 -0.07 0.00 0.51 0.00 0.00 43.02 42.40 3kr5 s PHE 165 CO 0.41 0.48 -0.02 0.54 0.70 0.00 0.00 175.22 177.33 3kr5 s ASN 166 N -2.61 3.78 0.00 1.36 2.20 -1.26 -1.37 114.94 117.04 3kr5 s ASN 166 Ca 0.20 -1.32 0.15 0.00 -0.94 0.00 0.00 52.86 50.95 3kr5 s ASN 166 Cb -0.08 -0.37 -0.04 0.00 -2.00 0.00 0.00 41.25 38.75 3kr5 s ASN 166 CO 0.10 -0.38 0.76 0.55 -2.94 0.00 0.00 177.10 175.19 3kr5 n VAL 167 N -0.90 0.00 -0.78 3.54 3.14 -0.27 -4.65 118.33 118.41 3kr5 n VAL 167 Ca -0.05 -0.30 -0.29 0.00 -2.96 0.00 0.00 64.34 60.74 3kr5 n VAL 167 Cb 0.66 1.13 -0.03 0.00 -1.06 0.00 0.00 33.84 34.54 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3kr5 n LYS 168 N -0.44 0.00 -1.63 1.45 4.81 -1.26 -0.31 118.16 120.78 3kr5 n LYS 168 Ca 0.05 0.00 -0.48 0.00 -0.87 0.00 0.00 58.31 57.01 3kr5 n LYS 168 Cb 0.29 -0.66 -0.04 0.00 0.02 0.00 0.00 35.03 34.64 3kr5 n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kr5 n LEU 169 N 0.98 2.44 -0.05 3.14 7.94 -1.26 -0.75 117.00 129.44 3kr5 n LEU 169 Ca 0.10 1.11 -0.01 0.00 -1.11 0.00 0.00 56.01 56.11 3kr5 n LEU 169 Cb 0.10 -1.33 -0.00 0.00 0.53 0.00 0.00 43.42 42.72 3kr5 n LEU 169 CO 0.32 -0.70 -0.01 0.61 -1.11 0.00 0.00 177.39 176.50 3kr5 n GLY 170 N 2.71 0.18 3.80 -3.96 0.00 0.31 -4.93 105.19 103.30 3kr5 n GLY 170 Ca 0.16 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s THR 171 N -1.30 4.44 -0.00 2.61 2.01 0.07 -4.74 115.64 118.72 3kr5 s THR 171 Ca 0.00 1.50 -0.16 0.00 0.31 0.00 0.00 61.69 63.34 3kr5 s THR 171 Cb 0.00 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.59 3kr5 s THR 171 CO 0.00 0.24 0.35 -0.94 -0.69 0.00 0.00 174.62 173.58 3kr5 s SER 172 N -1.56 -0.23 0.05 3.53 1.04 -1.26 0.19 113.70 115.46 3kr5 s SER 172 Ca 0.44 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 3kr5 s SER 172 Cb -0.18 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 3kr5 s SER 172 CO 0.23 -0.51 -0.01 -0.54 0.98 0.00 0.00 173.24 173.39 3kr5 s LYS 173 N -1.61 0.60 0.01 4.02 -0.14 -1.23 -5.02 119.74 116.37 3kr5 s LYS 173 Ca -0.11 -1.13 -0.17 0.00 -1.36 0.00 0.00 55.97 53.20 3kr5 s LYS 173 Cb -0.04 0.21 0.03 0.00 -1.68 0.00 0.00 37.83 36.35 3kr5 s LYS 173 CO 0.03 -0.12 0.37 -3.38 -0.76 0.00 0.00 175.35 171.50 3kr5 s HIS 174 N -3.65 -0.24 0.09 3.18 -3.43 -1.26 -1.90 115.29 108.08 3kr5 s HIS 174 Ca 0.04 0.29 0.05 0.00 -0.80 0.00 0.00 55.06 54.65 3kr5 s HIS 174 Cb 0.06 0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 3kr5 s HIS 174 CO -0.09 -0.48 -0.14 -0.06 -2.00 0.00 0.00 174.74 171.97 3kr5 s PHE 175 N -1.83 1.28 0.22 0.38 0.08 0.49 -4.96 117.98 113.64 3kr5 s PHE 175 Ca -0.10 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.43 3kr5 s PHE 175 Cb -0.03 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 3kr5 s PHE 175 CO 0.02 0.08 0.42 0.71 -0.10 0.00 0.00 175.22 176.36 3kr5 s TYR 176 N -1.70 3.48 0.00 0.36 1.51 -1.26 -1.18 117.35 118.56 3kr5 s TYR 176 Ca 0.03 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 3kr5 s TYR 176 Cb -0.07 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3kr5 s TYR 176 CO 0.02 0.34 0.00 0.00 -1.11 0.00 0.00 175.55 174.80 3kr5 n MET 177 N -0.73 0.00 -5.06 -0.62 0.00 -0.57 -4.99 117.12 105.14 3kr5 n MET 177 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.37 3kr5 n MET 177 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.59 3kr5 n MET 177 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3kr5 s PHE 178 N -2.18 2.14 0.00 3.17 0.08 -1.26 -2.86 117.98 117.07 3kr5 s PHE 178 Ca 0.00 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3kr5 s PHE 178 Cb 0.00 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3kr5 s PHE 178 CO 0.00 -0.24 0.00 0.27 -0.10 0.00 0.00 175.22 175.15 3kr5 n ASN 179 N 3.19 0.00 0.00 1.36 6.94 -0.00 -4.70 115.26 122.05 3kr5 n ASN 179 Ca -0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.27 3kr5 n ASN 179 Cb 0.52 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.98 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kr5 h ASP 180 N 0.00 0.65 -0.90 0.53 3.32 -1.88 -3.29 116.42 114.85 3kr5 h ASP 180 Ca 0.00 -0.36 -0.59 0.00 0.02 0.00 0.00 57.03 56.10 3kr5 h ASP 180 Cb 0.00 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 39.06 3kr5 h ASP 180 CO 0.00 1.09 0.46 0.59 -1.72 0.00 0.00 179.24 179.65 3kr5 n ASN 181 N -3.95 6.13 -1.64 6.45 3.02 -1.26 -4.87 115.26 119.14 3kr5 n ASN 181 Ca -0.04 -3.76 -0.18 0.00 -0.03 0.00 0.00 54.58 50.57 3kr5 n ASN 181 Cb 0.63 -0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 3kr5 n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kr5 n LYS 182 N -0.94 -1.46 -2.86 3.52 2.85 -1.24 -4.92 118.16 113.12 3kr5 n LYS 182 Ca 0.57 1.06 -0.42 0.00 -1.05 0.00 0.00 58.31 58.46 3kr5 n LYS 182 Cb 0.91 -5.43 -0.04 0.00 -0.65 0.00 0.00 35.03 29.81 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kr5 s ASN 183 N -2.49 6.84 -0.68 -5.58 0.02 -1.26 -4.71 114.94 107.07 3kr5 s ASN 183 Ca 0.00 1.01 -0.26 0.00 -1.02 0.00 0.00 52.86 52.59 3kr5 s ASN 183 Cb 0.00 -2.45 -0.12 0.00 0.02 0.00 0.00 41.25 38.71 3kr5 s ASN 183 CO 0.00 -0.57 2.42 -0.24 0.02 0.00 0.00 177.10 178.73 3kr5 n SER 184 N 6.13 1.95 -4.61 -1.22 2.88 -1.26 -0.82 113.62 116.67 3kr5 n SER 184 Ca 0.06 -1.10 -0.31 0.00 -1.33 0.00 0.00 58.87 56.19 3kr5 n SER 184 Cb 0.47 -1.62 -0.10 0.00 -0.75 0.00 0.00 64.21 62.22 3kr5 n SER 184 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3kr5 s VAL 185 N 13.68 3.69 -0.05 2.46 -7.23 -1.14 -4.59 120.40 127.22 3kr5 s VAL 185 Ca 0.96 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 3kr5 s VAL 185 Cb -0.16 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3kr5 s VAL 185 CO 0.16 0.31 -0.04 0.00 -0.31 0.00 0.00 175.10 175.22 3kr5 s ALA 186 N -1.08 3.09 -0.00 1.32 0.00 -0.92 -1.52 121.76 122.66 3kr5 s ALA 186 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3kr5 s ALA 186 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.73 3kr5 s ALA 186 CO 0.10 0.59 -0.01 0.08 0.00 0.00 0.00 175.76 176.52 3kr5 s VAL 187 N -0.90 0.11 0.00 0.00 1.01 -0.33 -1.13 120.40 119.17 3kr5 s VAL 187 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3kr5 s VAL 187 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3kr5 s VAL 187 CO 0.04 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3kr5 n GLY 188 N 3.17 2.19 3.18 4.51 0.00 -0.43 -0.38 105.19 117.44 3kr5 n GLY 188 Ca -0.14 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 3kr5 n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kr5 s TYR 189 N -6.30 0.21 -0.02 1.61 1.13 -0.80 -1.80 117.35 111.37 3kr5 s TYR 189 Ca 0.00 -0.65 0.06 0.00 -1.41 0.00 0.00 57.07 55.07 3kr5 s TYR 189 Cb 0.00 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 3kr5 s TYR 189 CO 0.00 -0.51 -0.20 0.08 -2.51 0.00 0.00 175.55 172.41 3kr5 s VAL 190 N -3.80 2.56 -0.27 -3.49 1.01 0.51 -3.46 120.40 113.45 3kr5 s VAL 190 Ca 0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3kr5 s VAL 190 Cb 0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3kr5 s VAL 190 CO -0.11 0.55 1.34 -0.83 0.00 0.00 0.00 175.10 176.06 3kr5 s GLY 191 N -0.77 1.40 -0.31 4.51 0.00 0.50 -2.32 107.32 110.34 3kr5 s GLY 191 Ca 0.11 0.21 0.11 0.00 0.00 0.00 0.00 44.72 45.15 3kr5 s GLY 191 CO 0.00 2.63 1.80 0.00 0.00 0.00 0.00 173.10 177.53 3kr5 n GLY 193 N -0.00 0.48 0.01 0.00 0.00 0.57 -4.28 105.19 101.96 3kr5 n GLY 193 Ca 0.38 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.63 3kr5 n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kr5 n SER 194 N -2.88 0.34 -4.68 1.61 7.64 -1.26 -1.42 113.62 112.97 3kr5 n SER 194 Ca 0.00 -0.17 -0.61 0.00 1.01 0.00 0.00 58.87 59.10 3kr5 n SER 194 Cb 0.00 1.79 -0.08 0.00 -1.01 0.00 0.00 64.21 64.91 3kr5 n SER 194 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3kr5 n VAL 195 N -2.10 0.11 -0.03 0.44 0.31 -1.26 -3.92 118.33 111.89 3kr5 n VAL 195 Ca -0.02 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 3kr5 n VAL 195 Cb 0.51 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 3kr5 n VAL 195 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kr5 h ALA 196 N 5.45 0.10 -3.09 3.52 0.00 -1.93 -3.41 119.26 119.90 3kr5 h ALA 196 Ca -0.46 -0.22 -0.70 0.00 0.00 0.00 0.00 54.91 53.52 3kr5 h ALA 196 Cb 1.36 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.82 3kr5 h ALA 196 CO 0.89 -0.17 -0.57 0.16 0.00 0.00 0.00 179.25 179.57 3kr5 s ASP 197 N -5.74 5.34 0.28 0.00 3.84 -1.26 -4.61 116.67 114.52 3kr5 s ASP 197 Ca -0.15 -1.46 -0.30 0.00 -0.00 0.00 0.00 52.55 50.65 3kr5 s ASP 197 Cb 0.04 -1.87 -0.13 0.00 -1.38 0.00 0.00 42.92 39.58 3kr5 s ASP 197 CO 0.70 -0.43 1.37 0.18 -0.00 0.00 0.00 175.17 176.99 3kr5 n LEU 198 N 4.77 3.38 -4.93 2.11 4.32 -1.26 -5.01 117.00 120.37 3kr5 n LEU 198 Ca -0.10 1.17 -0.27 0.00 -0.02 0.00 0.00 56.01 56.79 3kr5 n LEU 198 Cb 0.43 -1.46 0.10 0.00 -1.62 0.00 0.00 43.42 40.87 3kr5 n LEU 198 CO 0.33 -0.44 0.70 -0.94 -1.22 0.00 0.00 177.39 175.83 3kr5 s SER 199 N 0.06 4.30 0.22 -1.43 1.04 -1.26 -4.90 113.70 111.75 3kr5 s SER 199 Ca 0.63 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.35 3kr5 s SER 199 Cb -0.60 -0.82 0.19 0.00 0.10 0.00 0.00 66.02 64.89 3kr5 s SER 199 CO 0.55 -1.95 1.89 -0.08 0.98 0.00 0.00 173.24 174.63 3kr5 h GLU 200 N -0.92 1.09 0.55 4.02 4.22 -1.95 -2.06 114.58 119.53 3kr5 h GLU 200 Ca -0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 58.91 3kr5 h GLU 200 Cb 1.29 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kr5 h GLU 200 CO 0.54 0.72 -0.26 0.00 -2.18 0.00 0.00 179.01 177.83 3kr5 h ALA 201 N 1.31 -0.74 -0.66 2.92 0.00 -1.94 -2.83 119.26 117.32 3kr5 h ALA 201 Ca 0.31 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.17 3kr5 h ALA 201 Cb -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 201 CO -0.07 -0.77 0.45 -0.44 0.00 0.00 0.00 179.25 178.42 3kr5 h ASP 202 N -1.04 0.25 0.41 0.00 3.45 -1.92 0.26 116.42 117.84 3kr5 h ASP 202 Ca -0.08 0.01 -0.20 0.00 0.43 0.00 0.00 57.03 57.20 3kr5 h ASP 202 Cb 0.63 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3kr5 h ASP 202 CO 0.12 0.13 -0.83 -0.03 -1.57 0.00 0.00 179.24 177.06 3kr5 h MET 203 N 0.27 0.32 -0.50 3.56 4.05 -1.37 -2.59 114.93 118.66 3kr5 h MET 203 Ca 0.32 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3kr5 h MET 203 Cb 0.88 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 3kr5 h MET 203 CO -0.07 0.99 0.23 0.87 0.23 0.00 0.00 176.91 179.15 3kr5 h LYS 204 N 0.19 0.70 0.00 0.39 6.56 -0.70 -0.23 116.57 123.48 3kr5 h LYS 204 Ca -0.05 -0.08 -0.10 0.00 -1.06 0.00 0.00 60.65 59.36 3kr5 h LYS 204 Cb 1.44 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.95 3kr5 h LYS 204 CO 0.14 0.55 -0.46 0.00 -2.06 0.00 0.00 179.45 177.62 3kr5 h ARG 205 N 0.70 0.00 0.03 3.15 3.08 -1.06 0.16 114.38 120.44 3kr5 h ARG 205 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3kr5 h ARG 205 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kr5 h ARG 205 CO -0.02 0.46 -0.01 0.28 -1.07 0.00 0.00 179.97 179.60 3kr5 h VAL 206 N 0.00 1.40 0.00 2.04 2.07 -1.13 -2.59 116.25 118.03 3kr5 h VAL 206 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3kr5 h VAL 206 Cb 0.86 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3kr5 h VAL 206 CO 0.06 0.37 0.00 0.58 0.02 0.00 0.00 177.57 178.60 3kr5 h VAL 207 N -0.71 0.00 0.13 2.57 2.07 -0.79 -2.13 116.25 117.38 3kr5 h VAL 207 Ca -0.00 -0.21 -0.31 0.00 0.82 0.00 0.00 66.70 66.99 3kr5 h VAL 207 Cb 0.64 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3kr5 h VAL 207 CO 0.01 0.00 -1.59 -0.07 0.02 0.00 0.00 177.57 175.94 3kr5 h LEU 208 N 0.00 0.43 -0.46 2.57 3.38 -0.66 -2.49 115.31 118.08 3kr5 h LEU 208 Ca 0.00 -0.88 0.05 0.00 0.09 0.00 0.00 57.88 57.14 3kr5 h LEU 208 Cb 0.25 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3kr5 h LEU 208 CO 0.00 1.70 0.21 -1.28 0.09 0.00 0.00 178.44 179.15 3kr5 h SER 209 N -0.17 0.27 -0.49 -0.43 0.87 -1.40 -0.98 113.55 111.22 3kr5 h SER 209 Ca -0.34 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3kr5 h SER 209 Cb 1.87 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.80 3kr5 h SER 209 CO 0.08 0.19 0.27 0.25 -0.53 0.00 0.00 176.83 177.09 3kr5 h LEU 210 N 0.41 0.62 -0.72 2.23 5.85 -1.49 -3.03 115.31 119.18 3kr5 h LEU 210 Ca 0.21 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3kr5 h LEU 210 Cb 0.16 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3kr5 h LEU 210 CO -0.18 0.53 0.47 0.58 -0.34 0.00 0.00 178.44 179.50 3kr5 h VAL 211 N 0.66 1.15 -0.66 1.05 2.07 -1.00 -2.13 116.25 117.38 3kr5 h VAL 211 Ca 0.17 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.47 3kr5 h VAL 211 Cb 0.05 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 29.84 3kr5 h VAL 211 CO -0.03 0.17 -0.42 0.74 0.02 0.00 0.00 177.57 178.05 3kr5 h THR 212 N 0.94 0.08 -0.41 2.57 2.02 -1.07 -0.10 112.91 116.94 3kr5 h THR 212 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3kr5 h THR 212 Cb -0.06 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 3kr5 h THR 212 CO -0.08 0.00 0.15 0.24 0.37 0.00 0.00 175.52 176.21 3kr5 h MET 213 N -0.17 0.58 -0.20 6.66 2.07 -1.38 0.10 114.93 122.59 3kr5 h MET 213 Ca 0.21 -0.08 -0.06 0.00 -2.07 0.00 0.00 59.70 57.70 3kr5 h MET 213 Cb 0.56 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 3kr5 h MET 213 CO -0.74 0.49 -0.15 -0.07 1.07 0.00 0.00 176.91 177.51 3kr5 h LEU 214 N 0.57 0.32 -0.01 1.22 3.38 -0.51 -2.89 115.31 117.40 3kr5 h LEU 214 Ca 0.14 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3kr5 h LEU 214 Cb 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kr5 h LEU 214 CO -0.01 0.49 -0.93 0.45 0.09 0.00 0.00 178.44 178.53 3kr5 h HIS 215 N 0.31 0.00 -0.44 1.13 3.86 0.81 -3.27 115.15 117.56 3kr5 h HIS 215 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3kr5 h HIS 215 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3kr5 h HIS 215 CO 0.01 0.93 0.00 -0.25 0.86 0.00 0.00 177.93 179.48 3kr5 n ASP 216 N -3.34 3.17 -3.67 2.45 10.43 0.05 -4.89 116.55 120.76 3kr5 n ASP 216 Ca 0.00 -2.23 -0.10 0.00 2.57 0.00 0.00 54.79 55.03 3kr5 n ASP 216 Cb 0.91 -0.44 -0.10 0.00 1.84 0.00 0.00 41.12 43.33 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3kr5 s ASN 217 N -0.81 -0.23 -0.61 -2.24 0.01 -1.14 -5.04 114.94 104.88 3kr5 s ASN 217 Ca 0.34 0.90 -0.26 0.00 -0.71 0.00 0.00 52.86 53.12 3kr5 s ASN 217 Cb 0.21 1.08 0.04 0.00 0.41 0.00 0.00 41.25 42.99 3kr5 s ASN 217 CO 0.18 -0.22 1.12 -0.54 -1.51 0.00 0.00 177.10 176.13 3kr5 s LYS 218 N 2.25 3.37 0.06 -0.60 3.01 -1.26 -4.80 119.74 121.77 3kr5 s LYS 218 Ca -0.03 -0.06 0.08 0.00 -1.01 0.00 0.00 55.97 54.94 3kr5 s LYS 218 Cb -0.11 -4.07 -0.03 0.00 -1.01 0.00 0.00 37.83 32.61 3kr5 s LYS 218 CO -0.12 -1.73 -0.22 -0.51 0.51 0.00 0.00 175.35 173.28 3kr5 s LEU 219 N 4.76 2.20 -0.13 3.17 1.43 -1.26 -5.04 118.68 123.81 3kr5 s LEU 219 Ca 0.36 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 3kr5 s LEU 219 Cb -0.10 -1.03 -0.25 0.00 0.03 0.00 0.00 46.19 44.84 3kr5 s LEU 219 CO 0.21 0.16 0.77 0.77 0.23 0.00 0.00 176.35 178.48 3kr5 h SER 220 N 4.63 -0.00 -4.27 2.29 4.64 -1.94 -3.28 113.55 115.62 3kr5 h SER 220 Ca -0.45 -0.96 -0.54 0.00 -0.47 0.00 0.00 61.79 59.38 3kr5 h SER 220 Cb 1.16 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 3kr5 h SER 220 CO 0.43 0.97 -0.82 -0.75 -0.87 0.00 0.00 176.83 175.78 3kr5 s LYS 221 N -2.27 1.18 -0.08 4.77 2.20 -1.26 0.15 119.74 124.42 3kr5 s LYS 221 Ca -0.18 -0.98 0.04 0.00 -0.36 0.00 0.00 55.97 54.49 3kr5 s LYS 221 Cb -0.03 -1.32 -0.00 0.00 -1.51 0.00 0.00 37.83 34.97 3kr5 s LYS 221 CO 0.67 0.32 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.59 3kr5 s LEU 222 N -1.45 2.02 -0.16 5.43 2.96 -0.30 -1.48 118.68 125.69 3kr5 s LEU 222 Ca 0.05 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3kr5 s LEU 222 Cb -0.09 -1.29 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 3kr5 s LEU 222 CO 0.03 0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.20 3kr5 s THR 223 N 0.24 2.86 -0.19 3.68 2.01 0.12 0.03 115.64 124.39 3kr5 s THR 223 Ca -0.14 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 3kr5 s THR 223 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 3kr5 s THR 223 CO 0.07 0.50 0.01 -0.69 -0.69 0.00 0.00 174.62 173.81 3kr5 s VAL 224 N 0.86 4.09 -0.22 3.82 1.01 0.62 -0.07 120.40 130.50 3kr5 s VAL 224 Ca -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3kr5 s VAL 224 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3kr5 s VAL 224 CO -0.00 0.44 0.02 -0.69 0.00 0.00 0.00 175.10 174.86 3kr5 s VAL 225 N 0.83 4.01 -0.82 2.92 1.01 0.24 0.48 120.40 129.07 3kr5 s VAL 225 Ca 0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 3kr5 s VAL 225 Cb -0.14 -2.83 0.16 0.00 0.00 0.00 0.00 36.38 33.56 3kr5 s VAL 225 CO 0.02 0.40 0.90 -0.36 0.00 0.00 0.00 175.10 176.06 3kr5 s PHE 226 N 1.24 3.34 -0.68 5.22 0.40 0.29 0.18 117.98 127.98 3kr5 s PHE 226 Ca 0.04 -1.53 -0.01 0.00 -0.60 0.00 0.00 56.93 54.82 3kr5 s PHE 226 Cb -0.15 -4.05 0.43 0.00 0.51 0.00 0.00 43.02 39.76 3kr5 s PHE 226 CO 0.02 -1.25 1.94 0.39 0.70 0.00 0.00 175.22 177.01 3kr5 n GLU 227 N 5.50 2.80 -3.92 0.44 1.02 -0.79 -4.49 120.64 121.21 3kr5 n GLU 227 Ca 0.13 -3.45 -0.09 0.00 -0.02 0.00 0.00 57.16 53.73 3kr5 n GLU 227 Cb 0.47 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 3kr5 n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kr5 s ILE 228 N -4.89 0.00 -0.14 -3.67 -4.36 -1.23 -4.35 121.20 102.56 3kr5 s ILE 228 Ca 0.60 -1.19 -0.15 0.00 -0.26 0.00 0.00 60.65 59.65 3kr5 s ILE 228 Cb 0.48 -2.25 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 3kr5 s ILE 228 CO -0.11 0.00 0.33 0.20 0.24 0.00 0.00 174.94 175.60 3kr5 s ASN 229 N -3.00 6.50 -0.04 4.36 0.01 -1.26 -4.93 114.94 116.58 3kr5 s ASN 229 Ca 0.17 0.59 -0.01 0.00 -0.71 0.00 0.00 52.86 52.90 3kr5 s ASN 229 Cb -0.04 -2.20 0.03 0.00 0.41 0.00 0.00 41.25 39.45 3kr5 s ASN 229 CO 0.09 0.10 0.05 0.68 -1.51 0.00 0.00 177.10 176.51 3kr5 s VAL 230 N 0.38 -0.05 0.28 1.60 -7.23 -1.26 -4.66 120.40 109.46 3kr5 s VAL 230 Ca 0.19 0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 60.48 3kr5 s VAL 230 Cb -0.14 -0.16 -0.14 0.00 0.56 0.00 0.00 36.38 36.50 3kr5 s VAL 230 CO 0.06 0.16 0.25 -0.67 -0.31 0.00 0.00 175.10 174.58 3kr5 n ASP 231 N 4.93 -1.92 -0.31 4.85 4.64 -1.26 -4.68 116.55 122.80 3kr5 n ASP 231 Ca -0.11 0.85 0.03 0.00 -1.38 0.00 0.00 54.79 54.17 3kr5 n ASP 231 Cb 0.50 -0.81 0.17 0.00 -1.04 0.00 0.00 41.12 39.94 3kr5 n ASP 231 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3kr5 h LYS 232 N 0.55 0.89 -0.52 -0.67 1.57 -1.98 0.64 116.57 117.06 3kr5 h LYS 232 Ca -0.29 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 3kr5 h LYS 232 Cb 1.29 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3kr5 h LYS 232 CO 0.46 0.59 0.25 -0.91 -0.57 0.00 0.00 179.45 179.27 3kr5 h ASN 233 N 0.92 0.68 -0.24 0.86 2.35 -1.91 0.52 115.58 118.76 3kr5 h ASN 233 Ca 0.41 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.88 3kr5 h ASN 233 Cb 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3kr5 h ASN 233 CO -0.22 0.61 -0.42 0.25 -1.65 0.00 0.00 177.43 176.01 3kr5 h LEU 234 N 0.70 0.85 -0.87 1.61 5.85 -1.70 0.14 115.31 121.89 3kr5 h LEU 234 Ca 0.18 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.59 3kr5 h LEU 234 Cb 0.11 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3kr5 h LEU 234 CO -0.02 1.15 0.52 0.15 -0.34 0.00 0.00 178.44 179.90 3kr5 h PHE 235 N 0.64 0.95 -0.19 1.25 3.57 0.51 0.34 116.94 124.01 3kr5 h PHE 235 Ca 0.05 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.39 3kr5 h PHE 235 Cb 0.98 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3kr5 h PHE 235 CO 0.05 0.42 -0.62 -0.09 -2.23 0.00 0.00 178.31 175.84 3kr5 h ARG 236 N 0.89 0.68 -0.89 1.11 2.43 0.17 -2.60 114.38 116.19 3kr5 h ARG 236 Ca 0.41 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3kr5 h ARG 236 Cb 0.31 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 3kr5 h ARG 236 CO -0.22 1.09 0.57 0.35 -1.51 0.00 0.00 179.97 180.25 3kr5 h PHE 237 N 0.50 1.05 -0.62 2.20 3.57 -0.51 -1.60 116.94 121.54 3kr5 h PHE 237 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3kr5 h PHE 237 Cb 1.21 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3kr5 h PHE 237 CO 0.06 0.58 0.37 0.35 -2.23 0.00 0.00 178.31 177.44 3kr5 h PHE 238 N 1.07 0.69 0.46 0.41 3.57 -0.54 -0.76 116.94 121.84 3kr5 h PHE 238 Ca 0.37 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 3kr5 h PHE 238 Cb 0.08 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3kr5 h PHE 238 CO -0.02 0.38 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.15 3kr5 h LEU 239 N 0.72 -0.53 -0.92 0.59 4.07 -1.13 -0.19 115.31 117.93 3kr5 h LEU 239 Ca 0.26 -0.05 -0.11 0.00 0.08 0.00 0.00 57.88 58.06 3kr5 h LEU 239 Cb 0.05 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3kr5 h LEU 239 CO -0.12 -0.27 -0.36 -0.33 -1.08 0.00 0.00 178.44 176.28 3kr5 h GLU 240 N -0.76 0.34 -0.29 1.13 5.08 -1.19 0.17 114.58 119.06 3kr5 h GLU 240 Ca -0.06 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 3kr5 h GLU 240 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3kr5 h GLU 240 CO 0.10 0.66 -0.33 1.15 -1.00 0.00 0.00 179.01 179.59 3kr5 h THR 241 N 0.29 1.29 0.32 1.13 2.02 -1.11 0.15 112.91 117.00 3kr5 h THR 241 Ca 0.03 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 3kr5 h THR 241 Cb 0.78 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3kr5 h THR 241 CO 0.06 0.47 -0.15 0.25 0.37 0.00 0.00 175.52 176.52 3kr5 h LEU 242 N 0.53 -0.36 -0.17 2.58 5.85 -0.23 -1.47 115.31 122.05 3kr5 h LEU 242 Ca 0.06 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3kr5 h LEU 242 Cb 0.83 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3kr5 h LEU 242 CO 0.07 -0.03 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.73 3kr5 h PHE 243 N -0.72 -0.40 -0.19 1.25 0.04 -0.48 0.59 116.94 117.03 3kr5 h PHE 243 Ca -0.04 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 3kr5 h PHE 243 Cb 0.49 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3kr5 h PHE 243 CO 0.02 -0.23 -0.06 -0.92 -0.60 0.00 0.00 178.31 176.52 3kr5 h TYR 244 N -0.18 0.42 0.00 -0.55 3.20 -0.69 0.22 116.97 119.40 3kr5 h TYR 244 Ca 0.11 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3kr5 h TYR 244 Cb 0.34 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kr5 h TYR 244 CO -0.29 0.64 -0.32 0.93 -1.64 0.00 0.00 178.16 177.48 3kr5 h GLU 245 N 0.07 0.00 0.00 1.82 4.39 -1.20 -2.39 114.58 117.27 3kr5 h GLU 245 Ca 0.05 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 3kr5 h GLU 245 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3kr5 h GLU 245 CO 0.02 0.32 -0.90 -0.92 -1.16 0.00 0.00 179.01 176.38 3kr5 h TYR 246 N 0.00 0.00 -3.09 4.33 3.20 -0.03 -3.43 116.97 117.95 3kr5 h TYR 246 Ca -0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 3kr5 h TYR 246 Cb 0.62 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 3kr5 h TYR 246 CO 0.00 0.90 0.99 1.41 -1.64 0.00 0.00 178.16 179.82 3kr5 s MET 247 N -2.92 3.89 -0.30 1.82 1.75 0.71 -4.98 119.30 119.27 3kr5 s MET 247 Ca 0.01 1.30 -0.13 0.00 -1.25 0.00 0.00 55.69 55.61 3kr5 s MET 247 Cb 0.11 -3.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 3kr5 s MET 247 CO 0.80 -1.15 0.27 0.99 -0.65 0.00 0.00 175.02 175.29 3kr5 s THR 248 N 4.50 5.25 -0.37 10.11 2.01 -1.26 -4.94 115.64 130.93 3kr5 s THR 248 Ca 0.58 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.49 3kr5 s THR 248 Cb -0.18 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kr5 s THR 248 CO 0.24 0.13 1.79 -0.62 -0.69 0.00 0.00 174.62 175.47 3kr5 s ASP 249 N 1.72 5.82 -0.22 3.53 -1.08 -1.26 -4.86 116.67 120.31 3kr5 s ASP 249 Ca 0.10 1.15 0.14 0.00 -0.52 0.00 0.00 52.55 53.41 3kr5 s ASP 249 Cb -0.16 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.27 3kr5 s ASP 249 CO 0.11 -1.79 1.41 -0.62 0.52 0.00 0.00 175.17 174.80 3kr5 n GLU 250 N 8.51 2.29 0.21 4.34 1.02 -1.26 -4.69 120.64 131.06 3kr5 n GLU 250 Ca 0.22 -2.96 0.09 0.00 -0.02 0.00 0.00 57.16 54.49 3kr5 n GLU 250 Cb 0.48 -1.80 0.42 0.00 -0.02 0.00 0.00 31.44 30.52 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kr5 h ARG 251 N 1.28 0.00 -0.41 3.49 3.08 -1.98 -3.00 114.38 116.83 3kr5 h ARG 251 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kr5 h ARG 251 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 3kr5 h ARG 251 CO 0.27 0.27 0.00 1.19 -1.07 0.00 0.00 179.97 180.63 3kr5 n PHE 252 N -3.45 0.81 -3.36 3.04 3.01 -1.26 -4.93 117.46 111.32 3kr5 n PHE 252 Ca -0.00 -0.61 -0.28 0.00 1.01 0.00 0.00 57.45 57.56 3kr5 n PHE 252 Cb 0.45 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 3kr5 n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kr5 s LYS 253 N -1.59 3.62 0.00 -1.08 -0.14 -1.13 -5.26 119.74 114.16 3kr5 s LYS 253 Ca 0.35 -0.02 0.19 0.00 -1.36 0.00 0.00 55.97 55.13 3kr5 s LYS 253 Cb 0.22 -2.66 0.95 0.00 -1.68 0.00 0.00 37.83 34.67 3kr5 s LYS 253 CO 0.17 0.23 1.58 -1.13 -0.76 0.00 0.00 175.35 175.44 3kr5 n SER 254 N -0.92 0.00 0.00 2.83 3.41 -1.26 -5.10 113.62 112.58 3kr5 n SER 254 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3kr5 n SER 254 Cb 0.54 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3kr5 n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kr5 n GLU 262 N -1.28 0.00 -3.65 4.33 -0.58 -1.26 -5.15 120.64 113.04 3kr5 n GLU 262 Ca 0.09 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.50 3kr5 n GLU 262 Cb 0.15 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.97 3kr5 n GLU 262 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3kr5 s TYR 263 N 0.00 3.53 0.53 -0.32 2.02 -1.26 -4.62 117.35 117.23 3kr5 s TYR 263 Ca 0.00 0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 57.13 3kr5 s TYR 263 Cb 0.00 -2.06 -0.06 0.00 -0.40 0.00 0.00 41.96 39.44 3kr5 s TYR 263 CO 0.00 0.49 1.13 0.44 -1.57 0.00 0.00 175.55 176.03 3kr5 n ILE 264 N 0.52 3.40 0.69 2.71 -5.35 -1.24 -4.90 119.36 115.20 3kr5 n ILE 264 Ca -0.06 -0.50 0.09 0.00 -0.27 0.00 0.00 62.75 62.01 3kr5 n ILE 264 Cb 0.52 -1.35 0.08 0.00 -1.74 0.00 0.00 39.64 37.15 3kr5 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr5 n LYS 265 N -0.70 1.42 -3.72 6.28 4.01 0.39 -4.62 118.16 121.21 3kr5 n LYS 265 Ca 0.11 -1.54 -0.12 0.00 -0.51 0.00 0.00 58.31 56.25 3kr5 n LYS 265 Cb 0.44 -1.33 -0.12 0.00 -0.51 0.00 0.00 35.03 33.51 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3kr5 s HIS 266 N -1.42 -0.42 -0.20 2.13 3.76 -1.10 -2.29 115.29 115.75 3kr5 s HIS 266 Ca 0.20 0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 56.06 3kr5 s HIS 266 Cb 0.14 0.13 0.01 0.00 1.11 0.00 0.00 32.58 33.97 3kr5 s HIS 266 CO 0.22 -0.26 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.55 3kr5 s LEU 267 N 1.09 2.48 -0.19 0.89 2.96 0.84 -1.15 118.68 125.59 3kr5 s LEU 267 Ca -0.08 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 3kr5 s LEU 267 Cb -0.08 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3kr5 s LEU 267 CO -0.08 -0.00 0.11 -0.83 -1.32 0.00 0.00 176.35 174.22 3kr5 s GLY 268 N 1.34 1.99 -0.10 7.98 0.00 0.10 -0.73 107.32 117.91 3kr5 s GLY 268 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.09 3kr5 s GLY 268 CO -0.08 0.12 -0.22 0.14 0.00 0.00 0.00 173.10 173.05 3kr5 s VAL 269 N 0.38 2.23 -0.25 1.40 1.01 0.31 0.23 120.40 125.71 3kr5 s VAL 269 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3kr5 s VAL 269 Cb -0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kr5 s VAL 269 CO -0.01 0.56 0.02 -0.31 0.00 0.00 0.00 175.10 175.36 3kr5 s TYR 270 N 0.30 3.05 -0.04 5.22 1.51 0.18 -0.41 117.35 127.15 3kr5 s TYR 270 Ca -0.16 -0.86 -0.05 0.00 -1.01 0.00 0.00 57.07 54.99 3kr5 s TYR 270 Cb -0.17 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 3kr5 s TYR 270 CO 0.08 -0.52 0.13 -1.50 -1.11 0.00 0.00 175.55 172.63 3kr5 s ILE 271 N 1.51 0.02 -0.05 2.71 2.07 -0.58 0.10 121.20 126.98 3kr5 s ILE 271 Ca 0.05 -0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 3kr5 s ILE 271 Cb -0.15 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.14 3kr5 s ILE 271 CO 0.00 -0.09 1.61 0.20 -1.91 0.00 0.00 174.94 174.76 3kr5 s ASN 272 N -0.25 6.69 -0.12 4.50 0.01 -1.26 -2.38 114.94 122.14 3kr5 s ASN 272 Ca -0.03 2.21 -0.01 0.00 -0.71 0.00 0.00 52.86 54.32 3kr5 s ASN 272 Cb -0.02 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3kr5 s ASN 272 CO 0.00 -0.90 0.10 0.59 -1.51 0.00 0.00 177.10 175.39 3kr5 n ASN 273 N 6.85 -2.34 0.00 -1.22 3.02 -1.26 -4.93 115.26 115.38 3kr5 n ASN 273 Ca 0.17 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3kr5 n ASN 273 Cb 0.43 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr5 n ALA 274 N -2.54 1.22 0.05 5.41 0.00 -1.08 -1.44 120.51 122.14 3kr5 n ALA 274 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3kr5 n ALA 274 Cb 0.51 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 3kr5 n ALA 274 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kr5 h ASP 275 N 0.00 0.48 0.43 0.00 3.32 -1.91 -3.32 116.42 115.42 3kr5 h ASP 275 Ca 0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 3kr5 h ASP 275 Cb 0.00 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3kr5 h ASP 275 CO 0.00 1.66 -0.15 0.71 -1.72 0.00 0.00 179.24 179.74 3kr5 h THR 276 N 0.08 0.64 0.00 0.35 1.35 -1.64 -3.25 112.91 110.45 3kr5 h THR 276 Ca -0.33 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3kr5 h THR 276 Cb 2.06 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3kr5 h THR 276 CO 0.15 0.15 -1.55 -1.22 -0.25 0.00 0.00 175.52 172.80 3kr5 n TYR 277 N -3.67 0.39 -0.28 4.73 4.01 -1.25 -4.37 117.16 116.71 3kr5 n TYR 277 Ca -0.02 0.11 0.09 0.00 -0.16 0.00 0.00 57.90 57.93 3kr5 n TYR 277 Cb 0.27 -0.67 0.32 0.00 -0.31 0.00 0.00 39.34 38.96 3kr5 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr5 h LYS 278 N 0.00 0.80 0.00 -0.72 1.57 -1.65 0.09 116.57 116.66 3kr5 h LYS 278 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3kr5 h LYS 278 Cb 0.98 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kr5 h LYS 278 CO 0.00 0.53 -0.03 1.05 -0.57 0.00 0.00 179.45 180.43 3kr5 h GLU 279 N 0.82 0.00 0.00 3.15 4.11 -1.82 -2.51 114.58 118.33 3kr5 h GLU 279 Ca 0.43 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.77 3kr5 h GLU 279 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kr5 h GLU 279 CO -0.19 0.03 -0.43 0.93 0.07 0.00 0.00 179.01 179.42 3kr5 h GLU 280 N 0.00 0.00 0.30 1.06 4.39 -1.25 -3.32 114.58 115.76 3kr5 h GLU 280 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kr5 h GLU 280 Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3kr5 h GLU 280 CO 0.00 0.43 -0.48 0.28 -1.16 0.00 0.00 179.01 178.08 3kr5 h VAL 281 N 0.00 0.06 0.00 3.13 2.07 -1.51 0.28 116.25 120.28 3kr5 h VAL 281 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kr5 h VAL 281 Cb 1.01 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3kr5 h VAL 281 CO 0.06 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.96 3kr5 h GLU 282 N -0.84 0.00 -0.33 1.57 4.39 -1.76 -1.27 114.58 116.33 3kr5 h GLU 282 Ca -0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3kr5 h GLU 282 Cb 0.79 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3kr5 h GLU 282 CO -0.17 0.35 0.01 -0.22 -1.16 0.00 0.00 179.01 177.83 3kr5 h LYS 283 N 0.00 0.57 -0.92 2.33 3.64 -1.58 -1.31 116.57 119.31 3kr5 h LYS 283 Ca -0.00 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 3kr5 h LYS 283 Cb 0.94 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 3kr5 h LYS 283 CO 0.05 0.69 0.58 0.00 -2.27 0.00 0.00 179.45 178.50 3kr5 h ALA 284 N 0.86 1.27 -0.30 5.00 0.00 0.15 0.11 119.26 126.34 3kr5 h ALA 284 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 284 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kr5 h ALA 284 CO 0.01 0.35 -0.11 -0.09 0.00 0.00 0.00 179.25 179.41 3kr5 h ARG 285 N 1.06 0.61 -0.24 0.00 2.43 -1.01 0.57 114.38 117.81 3kr5 h ARG 285 Ca 0.40 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kr5 h ARG 285 Cb 0.17 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3kr5 h ARG 285 CO -0.17 0.82 0.16 0.28 -1.51 0.00 0.00 179.97 179.55 3kr5 h VAL 286 N 0.38 1.06 -0.57 0.20 2.07 -0.62 -1.43 116.25 117.33 3kr5 h VAL 286 Ca 0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kr5 h VAL 286 Cb 0.62 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3kr5 h VAL 286 CO 0.04 0.06 0.33 1.88 0.02 0.00 0.00 177.57 179.89 3kr5 h TYR 287 N 0.32 0.77 -0.12 1.57 -1.99 -0.44 0.64 116.97 117.72 3kr5 h TYR 287 Ca 0.09 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.85 3kr5 h TYR 287 Cb -0.04 -0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.39 3kr5 h TYR 287 CO -0.06 0.54 -0.29 -0.92 -0.00 0.00 0.00 178.16 177.43 3kr5 h TYR 288 N 0.76 -0.78 -0.47 4.88 3.20 0.40 -1.18 116.97 123.79 3kr5 h TYR 288 Ca 0.20 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 3kr5 h TYR 288 Cb 0.02 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3kr5 h TYR 288 CO -0.02 -0.37 -0.14 0.35 -1.64 0.00 0.00 178.16 176.34 3kr5 h PHE 289 N -0.37 1.00 -0.41 -3.82 3.57 -0.46 0.37 116.94 116.82 3kr5 h PHE 289 Ca 0.09 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.44 3kr5 h PHE 289 Cb 0.51 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3kr5 h PHE 289 CO -0.37 0.97 0.13 0.78 -2.23 0.00 0.00 178.31 177.58 3kr5 h GLY 290 N 0.95 0.52 0.93 2.40 0.00 -0.57 0.76 103.07 108.06 3kr5 h GLY 290 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3kr5 h GLY 290 CO 0.05 0.01 0.13 -0.84 0.00 0.00 0.00 176.54 175.88 3kr5 h THR 291 N 0.28 1.20 -0.14 4.70 2.02 -0.76 -1.06 112.91 119.16 3kr5 h THR 291 Ca 0.19 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 3kr5 h THR 291 Cb 0.19 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3kr5 h THR 291 CO -0.21 0.22 -0.46 0.22 0.37 0.00 0.00 175.52 175.66 3kr5 h TYR 292 N 0.43 0.40 -0.53 3.16 3.20 0.22 0.55 116.97 124.40 3kr5 h TYR 292 Ca 0.12 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3kr5 h TYR 292 Cb 0.22 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3kr5 h TYR 292 CO 0.00 0.74 -0.02 -0.92 -1.64 0.00 0.00 178.16 176.32 3kr5 h TYR 293 N 0.27 1.03 0.26 -3.82 3.20 0.72 0.17 116.97 118.81 3kr5 h TYR 293 Ca 0.02 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 3kr5 h TYR 293 Cb 0.92 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3kr5 h TYR 293 CO 0.02 0.95 -0.12 0.00 -1.64 0.00 0.00 178.16 177.37 3kr5 h ALA 294 N 0.94 -0.35 -0.62 1.82 0.00 -0.74 -2.17 119.26 118.14 3kr5 h ALA 294 Ca 0.15 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3kr5 h ALA 294 Cb 0.56 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3kr5 h ALA 294 CO 0.03 -0.68 -0.27 1.03 0.00 0.00 0.00 179.25 179.36 3kr5 h SER 295 N -0.38 -0.95 -0.54 0.00 0.87 -0.75 0.18 113.55 111.98 3kr5 h SER 295 Ca -0.04 0.22 0.09 0.00 -1.23 0.00 0.00 61.79 60.83 3kr5 h SER 295 Cb 0.29 0.52 -0.07 0.00 -0.44 0.00 0.00 62.40 62.70 3kr5 h SER 295 CO 0.06 -0.28 0.14 1.56 -0.53 0.00 0.00 176.83 177.78 3kr5 h GLN 296 N -0.10 0.28 -0.37 2.24 4.20 -0.41 0.28 115.11 121.22 3kr5 h GLN 296 Ca 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3kr5 h GLN 296 Cb 0.53 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3kr5 h GLN 296 CO -0.69 0.18 0.18 -0.07 -0.67 0.00 0.00 178.83 177.76 3kr5 h LEU 297 N 0.29 0.48 -0.07 1.46 3.38 -0.10 -1.19 115.31 119.56 3kr5 h LEU 297 Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kr5 h LEU 297 Cb 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 297 CO -0.33 0.47 0.03 0.40 0.09 0.00 0.00 178.44 179.10 3kr5 h ILE 298 N 0.46 1.10 -0.35 1.22 2.04 -0.16 -2.78 117.51 119.03 3kr5 h ILE 298 Ca 0.13 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3kr5 h ILE 298 Cb 0.11 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3kr5 h ILE 298 CO -0.02 0.09 0.03 0.00 0.00 0.00 0.00 178.15 178.25 3kr5 h ALA 299 N 0.91 1.40 -2.11 1.87 0.00 -0.31 -3.41 119.26 117.61 3kr5 h ALA 299 Ca 0.02 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 54.14 3kr5 h ALA 299 Cb 0.11 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 299 CO -0.00 0.42 0.88 0.00 0.00 0.00 0.00 179.25 180.55 3kr5 n ALA 300 N -2.48 0.94 -1.12 0.00 0.00 -0.46 -4.91 120.51 112.48 3kr5 n ALA 300 Ca 0.02 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 3kr5 n ALA 300 Cb 0.23 -2.37 0.12 0.00 0.00 0.00 0.00 19.45 17.42 3kr5 n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kr5 s PRO 301 N 2.06 1.72 0.32 0.00 0.02 -1.26 -4.54 135.00 133.32 3kr5 s PRO 301 Ca 0.85 1.17 0.26 0.00 0.02 0.00 0.00 61.00 63.29 3kr5 s PRO 301 Cb -0.72 -1.84 1.02 0.00 0.02 0.00 0.00 34.50 32.98 3kr5 s PRO 301 CO 0.44 -2.02 1.77 0.77 -0.33 0.00 0.00 177.00 177.64 3kr5 h SER 302 N -1.40 0.00 0.76 2.53 0.02 -1.80 0.63 113.55 114.30 3kr5 h SER 302 Ca -0.45 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.36 3kr5 h SER 302 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3kr5 h SER 302 CO 0.50 0.00 -0.64 -0.55 -1.14 0.00 0.00 176.83 175.00 3kr5 h ASN 303 N 0.00 0.00 0.00 3.07 -1.07 -1.92 -3.32 115.58 112.34 3kr5 h ASN 303 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 3kr5 h ASN 303 Cb 0.46 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.71 3kr5 h ASN 303 CO 0.00 0.64 -0.20 1.88 0.07 0.00 0.00 177.43 179.83 3kr5 h TYR 304 N 0.00 0.00 -3.19 4.14 0.05 -1.41 -3.40 116.97 113.16 3kr5 h TYR 304 Ca -0.01 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.03 3kr5 h TYR 304 Cb 1.20 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.71 3kr5 h TYR 304 CO 0.00 0.45 0.14 0.00 -1.05 0.00 0.00 178.16 177.70 3kr5 s ASN 306 N 3.12 4.09 0.28 0.00 2.20 -1.25 -4.22 114.94 119.15 3kr5 s ASN 306 Ca 0.15 -1.46 0.02 0.00 -0.94 0.00 0.00 52.86 50.63 3kr5 s ASN 306 Cb -0.18 0.04 0.60 0.00 -2.00 0.00 0.00 41.25 39.71 3kr5 s ASN 306 CO -0.02 -0.67 1.80 -0.65 -2.94 0.00 0.00 177.10 174.62 3kr5 h PRO 307 N 1.50 0.82 -0.09 3.55 0.11 -1.87 0.36 132.00 136.37 3kr5 h PRO 307 Ca -0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3kr5 h PRO 307 Cb 1.28 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kr5 h PRO 307 CO 0.76 0.54 -0.06 0.28 -0.21 0.00 0.00 178.00 179.31 3kr5 h VAL 308 N 0.84 1.34 -0.07 3.15 2.07 -1.94 -1.54 116.25 120.10 3kr5 h VAL 308 Ca 0.51 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 3kr5 h VAL 308 Cb 0.65 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3kr5 h VAL 308 CO -0.32 0.32 -0.46 0.77 0.02 0.00 0.00 177.57 177.90 3kr5 h SER 309 N -0.19 0.18 0.02 0.57 4.64 -1.75 -0.87 113.55 116.15 3kr5 h SER 309 Ca 0.02 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kr5 h SER 309 Cb 0.54 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kr5 h SER 309 CO 0.02 0.62 -0.01 0.25 -0.87 0.00 0.00 176.83 176.84 3kr5 h LEU 310 N 0.14 -0.02 -0.82 5.97 6.46 -0.27 -0.87 115.31 125.90 3kr5 h LEU 310 Ca 0.01 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 3kr5 h LEU 310 Cb 0.87 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 3kr5 h LEU 310 CO 0.07 0.43 0.46 0.77 -0.62 0.00 0.00 178.44 179.55 3kr5 h SER 311 N -0.48 1.02 -0.79 1.25 4.64 -1.24 -1.12 113.55 116.82 3kr5 h SER 311 Ca -0.00 -0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.35 3kr5 h SER 311 Cb 0.46 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.21 3kr5 h SER 311 CO 0.00 0.82 0.40 0.78 -0.87 0.00 0.00 176.83 177.96 3kr5 h ASN 312 N 1.14 0.50 -0.46 4.97 2.35 -1.05 0.31 115.58 123.34 3kr5 h ASN 312 Ca 0.29 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3kr5 h ASN 312 Cb 0.02 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3kr5 h ASN 312 CO -0.05 0.25 -0.04 0.00 -1.65 0.00 0.00 177.43 175.94 3kr5 h ALA 313 N 1.50 0.96 -0.08 -0.83 0.00 -0.05 -0.85 119.26 119.91 3kr5 h ALA 313 Ca 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 313 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kr5 h ALA 313 CO -0.32 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.56 3kr5 h ALA 314 N 1.13 0.10 -0.60 0.00 0.00 -0.14 0.76 119.26 120.51 3kr5 h ALA 314 Ca 0.15 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kr5 h ALA 314 Cb 0.54 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3kr5 h ALA 314 CO 0.03 -0.25 0.05 0.28 0.00 0.00 0.00 179.25 179.36 3kr5 h VAL 315 N -0.12 0.55 -0.84 0.00 2.07 -0.78 0.30 116.25 117.43 3kr5 h VAL 315 Ca 0.02 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3kr5 h VAL 315 Cb 0.29 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3kr5 h VAL 315 CO 0.00 0.03 0.55 -0.08 0.02 0.00 0.00 177.57 178.09 3kr5 h GLU 316 N 0.16 1.12 -0.50 1.57 4.81 -0.65 0.28 114.58 121.37 3kr5 h GLU 316 Ca 0.32 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3kr5 h GLU 316 Cb 0.50 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3kr5 h GLU 316 CO -0.48 0.75 -0.03 1.25 -0.73 0.00 0.00 179.01 179.77 3kr5 h LEU 317 N 1.14 0.90 -0.71 1.64 5.85 0.11 -1.20 115.31 123.03 3kr5 h LEU 317 Ca 0.31 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kr5 h LEU 317 Cb -0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3kr5 h LEU 317 CO -0.06 1.00 0.44 0.00 -0.34 0.00 0.00 178.44 179.48 3kr5 h ALA 318 N 0.93 0.91 -0.51 1.25 0.00 -0.06 -1.04 119.26 120.73 3kr5 h ALA 318 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 318 Cb 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kr5 h ALA 318 CO 0.03 0.37 0.08 1.96 0.00 0.00 0.00 179.25 181.69 3kr5 h GLN 319 N 0.97 0.85 0.00 0.00 4.20 -0.57 0.15 115.11 120.71 3kr5 h GLN 319 Ca 0.26 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3kr5 h GLN 319 Cb -0.05 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3kr5 h GLN 319 CO -0.05 0.84 -0.09 0.87 -0.67 0.00 0.00 178.83 179.73 3kr5 h LYS 320 N 0.73 0.00 -0.02 1.46 1.57 -0.82 -3.05 116.57 116.44 3kr5 h LYS 320 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kr5 h LYS 320 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kr5 h LYS 320 CO 0.01 0.09 -0.02 1.28 -0.57 0.00 0.00 179.45 180.24 3kr5 n LEU 321 N -3.41 2.30 -2.26 2.94 4.77 -0.43 -4.97 117.00 115.93 3kr5 n LEU 321 Ca -0.01 -0.99 -0.18 0.00 -0.03 0.00 0.00 56.01 54.80 3kr5 n LEU 321 Cb 0.25 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3kr5 n LEU 321 CO 0.28 0.41 -0.12 0.59 -1.33 0.00 0.00 177.39 177.23 3kr5 n ASN 322 N 0.84 -5.26 -4.85 -1.43 3.02 0.28 -4.91 115.26 102.96 3kr5 n ASN 322 Ca 0.09 -0.12 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 3kr5 n ASN 322 Cb 0.40 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.29 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kr5 s LEU 323 N -5.33 4.31 0.35 3.41 1.43 0.18 -5.01 118.68 118.01 3kr5 s LEU 323 Ca 0.12 1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.96 3kr5 s LEU 323 Cb -0.05 -3.32 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 3kr5 s LEU 323 CO 0.15 0.07 1.26 -1.83 0.23 0.00 0.00 176.35 176.23 3kr5 s GLU 324 N -2.12 4.26 0.02 1.70 4.04 -0.68 -4.57 118.70 121.35 3kr5 s GLU 324 Ca 0.39 2.09 -0.04 0.00 0.04 0.00 0.00 54.97 57.45 3kr5 s GLU 324 Cb -0.14 -2.95 -0.01 0.00 0.02 0.00 0.00 34.13 31.04 3kr5 s GLU 324 CO 0.19 -0.22 0.07 1.52 -1.84 0.00 0.00 175.26 174.98 3kr5 s TYR 325 N -1.21 0.18 -0.10 4.83 -0.85 -1.26 -0.25 117.35 118.69 3kr5 s TYR 325 Ca 0.51 -0.41 -0.05 0.00 -0.52 0.00 0.00 57.07 56.60 3kr5 s TYR 325 Cb -0.37 -0.14 0.04 0.00 0.38 0.00 0.00 41.96 41.88 3kr5 s TYR 325 CO 0.48 -0.28 0.24 0.21 -1.52 0.00 0.00 175.55 174.67 3kr5 s LYS 326 N -1.89 0.20 -0.28 -3.49 2.20 0.74 -5.00 119.74 112.23 3kr5 s LYS 326 Ca -0.11 0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 3kr5 s LYS 326 Cb -0.06 -0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.18 3kr5 s LYS 326 CO -0.02 -0.15 0.03 0.42 -0.36 0.00 0.00 175.35 175.28 3kr5 s ILE 327 N 1.12 3.59 -0.20 5.43 -1.09 -1.26 -0.83 121.20 127.96 3kr5 s ILE 327 Ca -0.08 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.23 3kr5 s ILE 327 Cb -0.09 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 3kr5 s ILE 327 CO -0.07 0.11 1.02 -0.76 -1.23 0.00 0.00 174.94 174.01 3kr5 s LEU 328 N 1.44 4.14 0.65 2.97 1.02 0.14 -4.88 118.68 124.16 3kr5 s LEU 328 Ca 0.02 1.41 0.03 0.00 0.02 0.00 0.00 54.13 55.60 3kr5 s LEU 328 Cb -0.17 -3.53 0.10 0.00 0.02 0.00 0.00 46.19 42.61 3kr5 s LEU 328 CO 0.00 -0.61 0.90 -0.83 0.02 0.00 0.00 176.35 175.84 3kr5 s GLY 329 N 1.18 1.77 0.27 -3.19 0.00 -1.26 -1.01 107.32 105.07 3kr5 s GLY 329 Ca 0.45 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 3kr5 s GLY 329 CO 0.09 -1.30 1.92 -0.39 0.00 0.00 0.00 173.10 173.42 3kr5 h VAL 330 N -0.24 1.23 -0.51 1.40 -1.51 -1.95 -0.50 116.25 114.17 3kr5 h VAL 330 Ca -0.35 -0.50 0.08 0.00 -1.23 0.00 0.00 66.70 64.69 3kr5 h VAL 330 Cb 1.28 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.40 3kr5 h VAL 330 CO 0.42 0.24 0.15 0.11 -1.23 0.00 0.00 177.57 177.26 3kr5 h LYS 331 N 1.17 0.30 -0.50 5.19 6.56 -1.95 0.21 116.57 127.54 3kr5 h LYS 331 Ca 0.31 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.76 3kr5 h LYS 331 Cb -0.06 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 3kr5 h LYS 331 CO -0.06 0.20 -0.16 0.93 -2.06 0.00 0.00 179.45 178.30 3kr5 h GLU 332 N 0.31 0.98 -0.71 3.15 5.08 -1.74 -1.62 114.58 120.03 3kr5 h GLU 332 Ca 0.25 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3kr5 h GLU 332 Cb 0.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3kr5 h GLU 332 CO -0.28 1.06 0.26 -0.07 -1.00 0.00 0.00 179.01 178.98 3kr5 h LEU 333 N 0.86 0.99 -0.22 1.33 3.38 -0.47 0.68 115.31 121.86 3kr5 h LEU 333 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kr5 h LEU 333 Cb 0.73 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kr5 h LEU 333 CO 0.06 0.89 0.05 -0.33 0.09 0.00 0.00 178.44 179.20 3kr5 h GLU 334 N 1.04 0.36 -0.88 1.13 5.08 -0.48 -0.85 114.58 119.98 3kr5 h GLU 334 Ca 0.24 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3kr5 h GLU 334 Cb 0.23 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3kr5 h GLU 334 CO -0.02 0.47 0.57 0.93 -1.00 0.00 0.00 179.01 179.97 3kr5 h GLU 335 N 0.18 0.96 0.00 2.33 5.08 -0.98 0.18 114.58 122.32 3kr5 h GLU 335 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kr5 h GLU 335 Cb 0.28 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kr5 h GLU 335 CO 0.00 0.63 0.00 1.28 -1.00 0.00 0.00 179.01 179.93 3kr5 n LEU 336 N -4.49 0.00 -2.16 1.33 4.77 0.20 -4.92 117.00 111.74 3kr5 n LEU 336 Ca 0.13 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 3kr5 n LEU 336 Cb 0.20 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3kr5 n LEU 336 CO 0.33 -0.04 0.01 0.29 -1.33 0.00 0.00 177.39 176.65 3kr5 n LYS 337 N -1.34 -3.49 -1.74 3.23 5.02 0.05 -4.68 118.16 115.21 3kr5 n LYS 337 Ca 0.11 0.62 -0.41 0.00 -2.02 0.00 0.00 58.31 56.62 3kr5 n LYS 337 Cb 0.23 -4.89 -0.01 0.00 -0.02 0.00 0.00 35.03 30.34 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -3.03 3.68 0.20 1.97 2.81 -0.62 -1.95 117.12 120.18 3kr5 n MET 338 Ca -0.07 -2.81 0.07 0.00 -1.81 0.00 0.00 57.70 53.08 3kr5 n MET 338 Cb 0.58 -2.91 0.39 0.00 -0.71 0.00 0.00 33.22 30.57 3kr5 n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kr5 h GLY 339 N 7.58 0.00 0.54 3.03 0.00 -1.80 0.27 103.07 112.69 3kr5 h GLY 339 Ca 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 3kr5 h GLY 339 CO 1.72 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 178.24 3kr5 h ALA 340 N 1.69 -0.05 -0.08 3.60 0.00 -1.84 -1.61 119.26 120.96 3kr5 h ALA 340 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kr5 h ALA 340 Cb 0.82 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3kr5 h ALA 340 CO 0.04 -0.30 0.05 -0.92 0.00 0.00 0.00 179.25 178.12 3kr5 h TYR 341 N -0.51 0.11 0.00 0.00 3.20 -1.61 -2.86 116.97 115.30 3kr5 h TYR 341 Ca -0.01 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3kr5 h TYR 341 Cb 0.47 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3kr5 h TYR 341 CO 0.08 0.09 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.35 3kr5 h LEU 342 N 0.09 0.00 -0.46 2.82 3.38 -1.00 -2.74 115.31 117.40 3kr5 h LEU 342 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 342 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kr5 h LEU 342 CO -0.01 0.27 0.29 0.28 0.09 0.00 0.00 178.44 179.37 3kr5 h SER 343 N 0.00 0.55 -0.98 -0.43 0.02 -1.05 -2.33 113.55 109.32 3kr5 h SER 343 Ca -0.00 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3kr5 h SER 343 Cb 0.50 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 3kr5 h SER 343 CO 0.04 0.43 0.65 0.58 -1.14 0.00 0.00 176.83 177.38 3kr5 h VAL 344 N 0.62 1.20 0.00 2.27 2.07 -1.40 -2.42 116.25 118.59 3kr5 h VAL 344 Ca 0.17 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kr5 h VAL 344 Cb -0.03 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.55 3kr5 h VAL 344 CO -0.03 0.23 -0.21 0.61 0.02 0.00 0.00 177.57 178.19 3kr5 n GLY 345 N -1.37 -1.57 0.31 2.17 0.00 -1.09 -4.23 105.19 99.41 3kr5 n GLY 345 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3kr5 n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kr5 h LYS 346 N 0.00 0.25 0.00 1.61 1.57 -0.90 0.72 116.57 119.83 3kr5 h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kr5 h LYS 346 Cb 0.69 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kr5 h LYS 346 CO 0.00 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 3kr5 n GLY 347 N -1.36 -1.09 3.84 3.86 0.00 -1.25 -4.52 105.19 104.67 3kr5 n GLY 347 Ca 0.21 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3kr5 n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr5 s SER 348 N -2.57 6.84 0.22 1.61 0.15 0.24 -4.55 113.70 115.66 3kr5 s SER 348 Ca 0.23 1.16 0.24 0.00 0.70 0.00 0.00 55.95 58.29 3kr5 s SER 348 Cb 0.16 -2.32 0.91 0.00 -1.71 0.00 0.00 66.02 63.06 3kr5 s SER 348 CO 0.37 0.02 1.74 1.15 1.20 0.00 0.00 173.24 177.72 3kr5 n MET 349 N 0.50 0.21 -3.65 5.44 0.00 -1.26 -4.65 117.12 113.71 3kr5 n MET 349 Ca -0.03 0.32 -0.37 0.00 0.00 0.00 0.00 57.70 57.63 3kr5 n MET 349 Cb 0.52 -1.82 -0.10 0.00 0.00 0.00 0.00 33.22 31.82 3kr5 n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kr5 s TYR 350 N -3.21 3.31 0.42 3.17 1.51 -1.26 -4.86 117.35 116.43 3kr5 s TYR 350 Ca 0.07 0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 56.10 3kr5 s TYR 350 Cb 0.11 -2.29 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 3kr5 s TYR 350 CO 0.47 0.05 1.42 -2.14 -1.11 0.00 0.00 175.55 174.24 3kr5 s PRO 351 N 1.12 3.85 0.46 -1.71 0.02 -1.26 -4.78 135.00 132.70 3kr5 s PRO 351 Ca 0.08 2.42 -0.24 0.00 0.02 0.00 0.00 61.00 63.28 3kr5 s PRO 351 Cb -0.14 -2.76 -0.08 0.00 0.02 0.00 0.00 34.50 31.54 3kr5 s PRO 351 CO 0.05 -0.68 1.26 0.09 -0.33 0.00 0.00 177.00 177.39 3kr5 n ASN 352 N 0.05 2.42 -3.83 2.53 4.13 -1.26 -4.50 115.26 114.79 3kr5 n ASN 352 Ca 0.04 1.05 -0.20 0.00 1.68 0.00 0.00 54.58 57.15 3kr5 n ASN 352 Cb 0.41 -1.51 -0.17 0.00 -1.54 0.00 0.00 39.78 36.98 3kr5 n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kr5 s LYS 353 N -2.40 0.62 -0.28 3.52 -0.14 -0.55 -4.00 119.74 116.52 3kr5 s LYS 353 Ca 0.64 0.01 -0.09 0.00 -1.36 0.00 0.00 55.97 55.18 3kr5 s LYS 353 Cb -0.48 -0.79 -0.02 0.00 -1.68 0.00 0.00 37.83 34.86 3kr5 s LYS 353 CO 0.55 -0.17 0.13 0.12 -0.76 0.00 0.00 175.35 175.22 3kr5 s PHE 354 N 1.29 3.15 -0.14 3.18 2.19 -0.18 -0.75 117.98 126.72 3kr5 s PHE 354 Ca -0.05 -0.38 -0.20 0.00 0.33 0.00 0.00 56.93 56.63 3kr5 s PHE 354 Cb -0.13 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.23 3kr5 s PHE 354 CO -0.02 -0.36 0.55 0.42 1.83 0.00 0.00 175.22 177.64 3kr5 s ILE 355 N 1.64 5.12 -0.27 3.12 1.01 0.13 -0.68 121.20 131.27 3kr5 s ILE 355 Ca 0.06 1.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.78 3kr5 s ILE 355 Cb -0.16 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.51 3kr5 s ILE 355 CO 0.06 0.24 0.06 -2.28 0.00 0.00 0.00 174.94 173.02 3kr5 s HIS 356 N 1.09 1.60 0.04 3.97 2.46 -0.01 -1.26 115.29 123.18 3kr5 s HIS 356 Ca 0.28 -1.48 0.02 0.00 0.47 0.00 0.00 55.06 54.35 3kr5 s HIS 356 Cb -0.16 -1.50 -0.04 0.00 -0.13 0.00 0.00 32.58 30.76 3kr5 s HIS 356 CO 0.12 -0.79 0.05 -0.51 -2.47 0.00 0.00 174.74 171.14 3kr5 s LEU 357 N 1.66 3.72 -0.04 8.88 1.02 0.12 -0.18 118.68 133.85 3kr5 s LEU 357 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.20 3kr5 s LEU 357 Cb -0.17 -2.30 0.02 0.00 0.02 0.00 0.00 46.19 43.76 3kr5 s LEU 357 CO -0.18 0.22 -0.02 -0.89 0.02 0.00 0.00 176.35 175.51 3kr5 s THR 358 N -1.27 0.36 -0.18 5.49 2.01 0.66 0.50 115.64 123.20 3kr5 s THR 358 Ca 0.25 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 3kr5 s THR 358 Cb -0.12 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 3kr5 s THR 358 CO 0.17 0.20 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.79 3kr5 s TYR 359 N 1.21 2.97 -0.06 4.92 5.04 0.53 -1.69 117.35 130.28 3kr5 s TYR 359 Ca -0.07 -0.59 0.04 0.00 -2.44 0.00 0.00 57.07 54.00 3kr5 s TYR 359 Cb -0.14 -2.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 3kr5 s TYR 359 CO -0.02 -0.28 -0.16 0.21 -1.34 0.00 0.00 175.55 173.96 3kr5 s LYS 360 N 0.90 2.64 0.65 4.97 2.20 -1.26 0.17 119.74 130.00 3kr5 s LYS 360 Ca -0.01 -0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 54.75 3kr5 s LYS 360 Cb -0.15 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 3kr5 s LYS 360 CO 0.01 0.51 1.05 -1.12 -0.36 0.00 0.00 175.35 175.44 3kr5 s SER 361 N -0.45 5.75 0.07 1.43 0.01 -0.20 -4.98 113.70 115.33 3kr5 s SER 361 Ca 0.05 1.59 -0.20 0.00 1.31 0.00 0.00 55.95 58.71 3kr5 s SER 361 Cb -0.12 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.51 3kr5 s SER 361 CO 0.02 -1.19 1.48 0.07 0.41 0.00 0.00 173.24 174.02 3kr5 h LYS 362 N -0.31 0.37 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.71 3kr5 h LYS 362 Ca -0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 60.65 60.07 3kr5 h LYS 362 Cb 1.20 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 3kr5 h LYS 362 CO 0.59 0.60 0.00 0.41 -0.00 0.00 0.00 179.45 181.05 3kr5 n GLY 363 N -0.21 -1.19 3.75 0.07 0.00 -1.26 -4.97 105.19 101.39 3kr5 n GLY 363 Ca -0.05 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3kr5 n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kr5 s ASP 364 N -1.22 6.81 -0.32 1.61 2.15 -1.26 -4.80 116.67 119.65 3kr5 s ASP 364 Ca 0.00 2.58 -0.22 0.00 0.43 0.00 0.00 52.55 55.34 3kr5 s ASP 364 Cb 0.00 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3kr5 s ASP 364 CO 0.00 -0.54 0.71 -0.69 -0.17 0.00 0.00 175.17 174.48 3kr5 s VAL 365 N -0.54 4.85 -0.02 1.11 1.01 -1.26 -3.74 120.40 121.81 3kr5 s VAL 365 Ca 0.53 0.95 0.17 0.00 0.00 0.00 0.00 61.98 63.62 3kr5 s VAL 365 Cb -0.39 -4.09 -0.26 0.00 0.00 0.00 0.00 36.38 31.65 3kr5 s VAL 365 CO 0.46 -0.24 0.36 0.29 0.00 0.00 0.00 175.10 175.97 3kr5 n LYS 366 N 6.09 0.50 -3.75 2.72 5.02 0.52 -4.95 118.16 124.30 3kr5 n LYS 366 Ca 0.01 -0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.00 3kr5 n LYS 366 Cb 0.48 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 3kr5 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr5 s LYS 367 N -3.15 -0.01 -0.20 1.97 2.47 -0.85 -5.04 119.74 114.93 3kr5 s LYS 367 Ca -0.06 0.26 -0.03 0.00 -1.56 0.00 0.00 55.97 54.57 3kr5 s LYS 367 Cb 0.11 -0.25 -0.01 0.00 -1.46 0.00 0.00 37.83 36.21 3kr5 s LYS 367 CO 0.69 -0.18 -0.05 0.15 0.16 0.00 0.00 175.35 176.11 3kr5 s LYS 368 N 1.22 3.42 -0.05 4.03 1.02 -1.26 -0.75 119.74 127.36 3kr5 s LYS 368 Ca -0.08 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.35 3kr5 s LYS 368 Cb -0.13 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3kr5 s LYS 368 CO -0.04 -0.09 -0.23 0.42 -0.92 0.00 0.00 175.35 174.49 3kr5 s ILE 369 N 1.19 1.91 -0.22 2.17 1.01 0.90 0.43 121.20 128.58 3kr5 s ILE 369 Ca 0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 3kr5 s ILE 369 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3kr5 s ILE 369 CO -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 174.94 175.45 3kr5 s ALA 370 N -0.19 2.93 -0.27 9.38 0.00 0.11 0.09 121.76 133.80 3kr5 s ALA 370 Ca -0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3kr5 s ALA 370 Cb -0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 3kr5 s ALA 370 CO 0.03 -0.40 0.10 -0.51 0.00 0.00 0.00 175.76 174.98 3kr5 s LEU 371 N 1.43 3.70 -0.18 0.00 1.43 0.17 -0.61 118.68 124.61 3kr5 s LEU 371 Ca 0.05 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3kr5 s LEU 371 Cb -0.14 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3kr5 s LEU 371 CO -0.01 -0.10 -0.11 -0.69 0.23 0.00 0.00 176.35 175.68 3kr5 s VAL 372 N 1.61 2.93 -0.08 -1.59 1.01 0.15 0.08 120.40 124.52 3kr5 s VAL 372 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3kr5 s VAL 372 Cb -0.16 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3kr5 s VAL 372 CO 0.05 0.48 -0.12 -0.83 0.00 0.00 0.00 175.10 174.68 3kr5 s GLY 373 N 1.10 1.57 0.16 4.51 0.00 0.65 0.11 107.32 115.42 3kr5 s GLY 373 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 44.72 43.48 3kr5 s GLY 373 CO -0.03 -0.57 1.56 1.25 0.00 0.00 0.00 173.10 175.31 3kr5 s LYS 374 N -0.42 4.22 -0.46 2.90 2.20 -0.11 -4.09 119.74 123.98 3kr5 s LYS 374 Ca 0.05 2.34 0.09 0.00 -0.36 0.00 0.00 55.97 58.09 3kr5 s LYS 374 Cb -0.12 -3.16 0.34 0.00 -1.51 0.00 0.00 37.83 33.38 3kr5 s LYS 374 CO 0.02 -0.60 0.82 0.41 -0.36 0.00 0.00 175.35 175.64 3kr5 n GLY 375 N 3.74 4.44 3.52 5.54 0.00 -1.25 -0.58 105.19 120.59 3kr5 n GLY 375 Ca 0.14 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3kr5 n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr5 s ILE 376 N -3.27 4.64 0.09 -0.61 -1.09 -0.52 -1.01 121.20 119.43 3kr5 s ILE 376 Ca 0.44 0.18 0.21 0.00 -2.23 0.00 0.00 60.65 59.25 3kr5 s ILE 376 Cb 0.32 -4.36 0.17 0.00 -1.58 0.00 0.00 42.46 37.01 3kr5 s ILE 376 CO -0.10 -0.83 1.73 0.71 -1.23 0.00 0.00 174.94 175.21 3kr5 h THR 377 N 5.96 0.71 -2.75 2.92 1.35 -1.17 -2.19 112.91 117.75 3kr5 h THR 377 Ca -0.26 -1.43 -0.13 0.00 -0.55 0.00 0.00 66.41 64.04 3kr5 h THR 377 Cb 1.08 1.93 -0.25 0.00 -1.73 0.00 0.00 68.15 69.18 3kr5 h THR 377 CO 0.99 0.31 -0.28 0.12 -0.25 0.00 0.00 175.52 176.41 3kr5 s PHE 378 N -3.52 -0.49 -0.51 4.73 5.36 -1.26 -4.40 117.98 117.88 3kr5 s PHE 378 Ca 0.01 1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 57.09 3kr5 s PHE 378 Cb 0.10 0.19 0.13 0.00 -0.34 0.00 0.00 43.02 43.10 3kr5 s PHE 378 CO 0.67 -0.26 0.30 0.34 -1.46 0.00 0.00 175.22 174.81 3kr5 s ASP 379 N 0.72 5.10 0.45 6.13 2.15 -1.09 -0.87 116.67 129.26 3kr5 s ASP 379 Ca -0.04 -2.51 0.27 0.00 0.43 0.00 0.00 52.55 50.70 3kr5 s ASP 379 Cb -0.05 -1.80 0.81 0.00 -0.30 0.00 0.00 42.92 41.58 3kr5 s ASP 379 CO -0.05 -0.42 1.77 0.77 -0.17 0.00 0.00 175.17 177.07 3kr5 h SER 380 N 7.39 0.00 0.00 -0.34 4.64 -1.53 -3.45 113.55 120.25 3kr5 h SER 380 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kr5 h SER 380 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kr5 h SER 380 CO 0.69 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3kr5 n GLY 381 N 0.65 2.83 7.00 -0.77 0.00 -1.26 -0.37 105.19 113.27 3kr5 n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -1.74 0.22 0.28 -0.02 0.00 -1.26 -1.75 105.19 100.92 3kr5 n GLY 382 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.20 3kr5 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr5 h TYR 383 N 0.00 0.13 0.00 1.61 0.05 -1.83 0.42 116.97 117.35 3kr5 h TYR 383 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 3kr5 h TYR 383 Cb 0.00 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 37.70 3kr5 h TYR 383 CO 0.00 0.08 2.48 0.09 -1.05 0.00 0.00 178.16 179.77 3kr5 n ASN 384 N -4.52 6.21 -4.50 3.88 4.13 -1.22 -4.97 115.26 114.27 3kr5 n ASN 384 Ca -0.01 -2.40 -0.44 0.00 1.68 0.00 0.00 54.58 53.41 3kr5 n ASN 384 Cb 0.10 -1.27 -0.01 0.00 -1.54 0.00 0.00 39.78 37.05 3kr5 n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kr5 n LEU 385 N 3.62 0.53 -4.57 3.41 7.94 0.14 -4.44 117.00 123.62 3kr5 n LEU 385 Ca 0.55 1.06 -0.35 0.00 -1.11 0.00 0.00 56.01 56.17 3kr5 n LEU 385 Cb 0.29 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.05 3kr5 n LEU 385 CO 0.64 -2.28 1.61 -0.54 -1.11 0.00 0.00 177.39 175.71 3kr5 s LYS 386 N -1.47 3.16 -0.00 1.96 1.02 0.50 -4.53 119.74 120.38 3kr5 s LYS 386 Ca 0.62 -1.24 0.05 0.00 0.02 0.00 0.00 55.97 55.41 3kr5 s LYS 386 Cb -0.70 -5.32 -0.07 0.00 -0.52 0.00 0.00 37.83 31.22 3kr5 s LYS 386 CO 0.58 -3.01 0.12 0.00 -0.92 0.00 0.00 175.35 172.12 3kr5 n ALA 387 N 11.47 2.25 -1.76 5.17 0.00 -1.26 -4.65 120.51 131.73 3kr5 n ALA 387 Ca 0.43 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 3kr5 n ALA 387 Cb 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 19.45 19.77 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -2.12 2.96 0.31 0.00 0.00 -1.26 -4.95 121.76 116.69 3kr5 s ALA 388 Ca -0.01 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 3kr5 s ALA 388 Cb 0.03 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3kr5 s ALA 388 CO 0.19 -0.90 1.31 -2.30 0.00 0.00 0.00 175.76 174.06 3kr5 n PRO 389 N -0.57 2.05 -0.98 0.00 -0.02 -1.26 -2.16 135.00 132.06 3kr5 n PRO 389 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3kr5 n PRO 389 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3kr5 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 390 N 1.25 0.64 0.07 -1.23 0.00 -1.26 -4.88 105.19 99.78 3kr5 n GLY 390 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3kr5 n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 391 N -0.06 0.50 -3.90 1.61 3.41 -0.92 -4.95 113.62 109.32 3kr5 n SER 391 Ca 0.00 0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 58.91 3kr5 n SER 391 Cb 0.03 -0.69 -0.00 0.00 -0.26 0.00 0.00 64.21 63.29 3kr5 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr5 n MET 392 N -1.98 -3.89 0.04 4.33 2.81 -1.26 -4.85 117.12 112.32 3kr5 n MET 392 Ca 0.06 0.47 0.20 0.00 -1.81 0.00 0.00 57.70 56.62 3kr5 n MET 392 Cb 0.39 -4.82 0.72 0.00 -0.71 0.00 0.00 33.22 28.79 3kr5 n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kr5 h ILE 393 N -1.84 0.64 0.00 2.02 2.10 -1.92 -1.11 117.51 117.40 3kr5 h ILE 393 Ca -0.62 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3kr5 h ILE 393 Cb 1.37 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3kr5 h ILE 393 CO 0.62 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.79 3kr5 n ASP 394 N -4.20 0.73 0.00 2.19 5.75 -1.26 -2.17 116.55 117.60 3kr5 n ASP 394 Ca 0.08 0.66 0.12 0.00 -0.01 0.00 0.00 54.79 55.64 3kr5 n ASP 394 Cb 0.58 -0.82 0.19 0.00 -1.03 0.00 0.00 41.12 40.03 3kr5 n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kr5 n LEU 395 N -2.29 0.58 0.00 -2.12 7.94 -0.42 -4.55 117.00 116.14 3kr5 n LEU 395 Ca 0.03 -0.05 0.08 0.00 -1.11 0.00 0.00 56.01 54.95 3kr5 n LEU 395 Cb 0.26 -0.21 0.47 0.00 0.53 0.00 0.00 43.42 44.48 3kr5 n LEU 395 CO 0.22 0.13 0.72 0.23 -1.11 0.00 0.00 177.39 177.57 3kr5 n MET 396 N -1.56 0.75 0.21 1.96 2.81 -0.92 -0.74 117.12 119.63 3kr5 n MET 396 Ca 0.05 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.09 3kr5 n MET 396 Cb 0.35 -1.33 0.70 0.00 -0.71 0.00 0.00 33.22 32.23 3kr5 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr5 h LYS 397 N 0.00 0.00 -0.03 0.03 2.10 -1.80 -2.81 116.57 114.05 3kr5 h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kr5 h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kr5 h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kr5 n PHE 398 N -2.54 0.03 1.64 0.07 -0.00 0.08 -3.95 117.46 112.79 3kr5 n PHE 398 Ca -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 57.45 57.44 3kr5 n PHE 398 Cb 0.14 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.67 3kr5 n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kr5 n ASP 399 N -0.00 0.00 -0.58 5.98 2.03 -1.08 -1.15 116.55 121.75 3kr5 n ASP 399 Ca 0.19 -1.59 0.06 0.00 0.52 0.00 0.00 54.79 53.98 3kr5 n ASP 399 Cb 0.31 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.88 3kr5 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr5 n MET 400 N -0.54 2.72 -0.26 -0.67 0.00 -0.82 -1.44 117.12 116.11 3kr5 n MET 400 Ca 0.01 -2.33 0.08 0.00 0.00 0.00 0.00 57.70 55.46 3kr5 n MET 400 Cb 0.01 -1.47 0.21 0.00 0.00 0.00 0.00 33.22 31.96 3kr5 n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kr5 h SER 401 N 1.43 0.03 -0.16 3.17 0.02 -1.30 0.25 113.55 116.99 3kr5 h SER 401 Ca 0.00 0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3kr5 h SER 401 Cb 1.00 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 3kr5 h SER 401 CO 0.08 -0.06 -0.02 1.23 -1.14 0.00 0.00 176.83 176.93 3kr5 h GLY 402 N 0.27 0.13 0.88 -3.77 0.00 -1.75 0.69 103.07 99.53 3kr5 h GLY 402 Ca 0.45 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.85 3kr5 h GLY 402 CO -0.54 -0.05 0.53 0.00 0.00 0.00 0.00 176.54 176.48 3kr5 h ALA 404 N 1.34 0.86 -0.68 0.00 0.00 0.98 -0.16 119.26 121.60 3kr5 h ALA 404 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kr5 h ALA 404 Cb -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kr5 h ALA 404 CO -0.11 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.06 3kr5 h ALA 405 N 1.10 0.86 -0.25 0.00 0.00 0.17 0.19 119.26 121.33 3kr5 h ALA 405 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kr5 h ALA 405 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kr5 h ALA 405 CO -0.01 0.33 0.04 0.28 0.00 0.00 0.00 179.25 179.88 3kr5 h VAL 406 N 0.92 1.23 -0.70 0.00 2.07 -0.64 -0.69 116.25 118.44 3kr5 h VAL 406 Ca 0.24 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3kr5 h VAL 406 Cb -0.05 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3kr5 h VAL 406 CO -0.05 0.25 0.41 -0.07 0.02 0.00 0.00 177.57 178.13 3kr5 h LEU 407 N 0.22 0.84 -1.24 2.57 3.38 -0.56 0.78 115.31 121.30 3kr5 h LEU 407 Ca 0.07 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 407 Cb 0.33 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kr5 h LEU 407 CO 0.01 0.67 0.52 1.23 0.09 0.00 0.00 178.44 180.96 3kr5 h GLY 408 N 0.95 1.12 0.97 0.83 0.00 -0.45 -0.41 103.07 106.07 3kr5 h GLY 408 Ca 0.25 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3kr5 h GLY 408 CO -0.04 0.35 -0.22 0.00 0.00 0.00 0.00 176.54 176.63 3kr5 h ALA 410 N 0.75 1.53 -0.06 0.00 0.00 0.01 0.30 119.26 121.78 3kr5 h ALA 410 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kr5 h ALA 410 Cb 0.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kr5 h ALA 410 CO 0.06 0.22 0.04 -0.92 0.00 0.00 0.00 179.25 178.65 3kr5 h TYR 411 N 0.99 0.08 -0.30 0.00 3.20 -0.53 0.29 116.97 120.69 3kr5 h TYR 411 Ca 0.50 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 3kr5 h TYR 411 Cb 0.51 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3kr5 h TYR 411 CO -0.00 0.08 0.14 0.00 -1.64 0.00 0.00 178.16 176.73 3kr5 h VAL 413 N 0.35 1.25 0.00 0.00 2.07 -0.38 0.46 116.25 120.01 3kr5 h VAL 413 Ca 0.10 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3kr5 h VAL 413 Cb 0.15 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kr5 h VAL 413 CO -0.01 0.31 -0.13 1.23 0.02 0.00 0.00 177.57 178.99 3kr5 h GLY 414 N 0.48 0.00 0.36 2.17 0.00 -0.27 0.12 103.07 105.93 3kr5 h GLY 414 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 3kr5 h GLY 414 CO 0.01 0.00 -1.09 -0.84 0.00 0.00 0.00 176.54 174.63 3kr5 h THR 415 N 0.00 1.18 0.00 4.70 2.02 -0.49 -3.36 112.91 116.96 3kr5 h THR 415 Ca -0.00 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.82 3kr5 h THR 415 Cb 0.23 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 3kr5 h THR 415 CO 0.02 0.61 -0.07 -0.07 0.37 0.00 0.00 175.52 176.37 3kr5 h LEU 416 N -0.57 0.00 -3.37 2.58 3.38 -0.01 -3.48 115.31 113.83 3kr5 h LEU 416 Ca -0.25 -0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.29 3kr5 h LEU 416 Cb 1.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.31 3kr5 h LEU 416 CO 0.00 0.01 -0.86 0.29 0.09 0.00 0.00 178.44 177.98 3kr5 n LYS 417 N -2.40 -1.16 -1.00 1.13 5.02 0.42 -4.94 118.16 115.24 3kr5 n LYS 417 Ca 0.05 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 3kr5 n LYS 417 Cb 0.45 -3.54 0.13 0.00 -0.02 0.00 0.00 35.03 32.05 3kr5 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr5 s PRO 418 N -5.44 1.63 0.27 1.97 0.04 -1.26 -5.03 135.00 127.17 3kr5 s PRO 418 Ca 0.26 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.77 3kr5 s PRO 418 Cb -0.11 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3kr5 s PRO 418 CO 0.87 -2.16 0.35 -1.21 0.04 0.00 0.00 177.00 174.90 3kr5 s GLU 419 N -4.68 3.23 -2.20 4.56 2.02 -1.26 -4.59 118.70 115.78 3kr5 s GLU 419 Ca 0.65 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3kr5 s GLU 419 Cb -0.21 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3kr5 s GLU 419 CO 0.56 0.33 0.00 0.09 0.02 0.00 0.00 175.26 176.25 3kr5 n ASN 420 N -1.41 -5.52 -4.18 -0.19 3.02 -1.25 -4.96 115.26 100.78 3kr5 n ASN 420 Ca -0.06 0.50 -0.25 0.00 -0.03 0.00 0.00 54.58 54.74 3kr5 n ASN 420 Cb 0.58 -4.84 -0.15 0.00 -0.61 0.00 0.00 39.78 34.75 3kr5 n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kr5 s VAL 421 N -2.78 1.42 -0.21 2.41 -7.23 -1.26 -0.36 120.40 112.40 3kr5 s VAL 421 Ca 0.00 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 3kr5 s VAL 421 Cb 0.00 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 3kr5 s VAL 421 CO 0.00 0.37 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.39 3kr5 s GLU 422 N -0.52 3.34 -0.11 4.82 2.12 0.07 -1.04 118.70 127.38 3kr5 s GLU 422 Ca 0.07 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.78 3kr5 s GLU 422 Cb -0.07 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.40 3kr5 s GLU 422 CO -0.00 -0.15 -0.23 0.42 -0.54 0.00 0.00 175.26 174.76 3kr5 s ILE 423 N 1.32 2.04 -0.22 -3.70 1.01 0.13 -0.07 121.20 121.70 3kr5 s ILE 423 Ca 0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 3kr5 s ILE 423 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3kr5 s ILE 423 CO -0.03 0.55 0.09 -1.00 0.00 0.00 0.00 174.94 174.55 3kr5 s HIS 424 N 0.50 3.20 -0.31 3.97 3.76 0.11 -0.35 115.29 126.18 3kr5 s HIS 424 Ca -0.15 -0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 54.61 3kr5 s HIS 424 Cb -0.17 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3kr5 s HIS 424 CO 0.05 -0.04 0.16 -0.06 -0.85 0.00 0.00 174.74 174.01 3kr5 s PHE 425 N 0.96 3.18 -0.01 1.40 0.08 0.18 0.42 117.98 124.19 3kr5 s PHE 425 Ca 0.05 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.70 3kr5 s PHE 425 Cb -0.14 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 3kr5 s PHE 425 CO 0.03 -0.42 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.03 3kr5 s LEU 426 N 1.64 2.04 -0.22 -0.37 1.43 0.11 0.12 118.68 123.44 3kr5 s LEU 426 Ca 0.05 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3kr5 s LEU 426 Cb -0.17 -1.02 0.07 0.00 0.03 0.00 0.00 46.19 45.10 3kr5 s LEU 426 CO 0.07 0.24 0.52 -0.55 0.23 0.00 0.00 176.35 176.86 3kr5 s SER 427 N -0.49 -0.68 -0.81 2.29 0.15 -0.39 -0.25 113.70 113.51 3kr5 s SER 427 Ca 0.08 1.15 -0.20 0.00 0.70 0.00 0.00 55.95 57.67 3kr5 s SER 427 Cb -0.08 1.07 0.11 0.00 -1.71 0.00 0.00 66.02 65.41 3kr5 s SER 427 CO -0.01 -0.21 1.04 0.00 1.20 0.00 0.00 173.24 175.26 3kr5 s ALA 428 N 1.58 3.27 -0.10 5.45 0.00 -1.26 0.20 121.76 130.91 3kr5 s ALA 428 Ca -0.09 -2.40 -0.19 0.00 0.00 0.00 0.00 51.96 49.28 3kr5 s ALA 428 Cb -0.07 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3kr5 s ALA 428 CO -0.16 -2.87 0.50 0.08 0.00 0.00 0.00 175.76 173.31 3kr5 s VAL 429 N 3.19 5.14 0.19 0.00 1.01 0.07 -3.95 120.40 126.06 3kr5 s VAL 429 Ca 0.28 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 3kr5 s VAL 429 Cb -0.10 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.48 3kr5 s VAL 429 CO -0.02 0.34 0.65 0.00 0.00 0.00 0.00 175.10 176.07 3kr5 s GLU 431 N -2.05 1.07 -0.54 0.00 2.12 -1.26 -0.69 118.70 117.36 3kr5 s GLU 431 Ca 0.14 -0.27 -0.16 0.00 0.36 0.00 0.00 54.97 55.04 3kr5 s GLU 431 Cb -0.03 -0.98 0.13 0.00 0.26 0.00 0.00 34.13 33.51 3kr5 s GLU 431 CO 0.06 0.04 0.49 1.21 -0.54 0.00 0.00 175.26 176.52 3kr5 s ASN 432 N 0.48 6.16 0.30 -1.70 2.47 -0.05 -4.32 114.94 118.29 3kr5 s ASN 432 Ca -0.08 -1.79 0.06 0.00 0.42 0.00 0.00 52.86 51.47 3kr5 s ASN 432 Cb -0.12 -2.20 -0.06 0.00 -1.45 0.00 0.00 41.25 37.42 3kr5 s ASN 432 CO 0.01 -0.85 -0.03 -0.04 -3.72 0.00 0.00 177.10 172.47 3kr5 s MET 433 N 1.59 1.61 -0.20 0.43 -1.94 -1.26 -1.24 119.30 118.29 3kr5 s MET 433 Ca 0.03 -1.84 -0.07 0.00 -1.71 0.00 0.00 55.69 52.10 3kr5 s MET 433 Cb -0.30 -1.17 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 3kr5 s MET 433 CO 0.03 -0.00 0.06 0.08 -0.01 0.00 0.00 175.02 175.18 3kr5 s VAL 434 N -3.02 4.64 0.09 -6.03 1.01 -1.26 -4.51 120.40 111.32 3kr5 s VAL 434 Ca 0.31 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 3kr5 s VAL 434 Cb 0.05 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.41 3kr5 s VAL 434 CO 0.13 0.43 0.82 -0.55 0.00 0.00 0.00 175.10 175.94 3kr5 s SER 435 N 0.66 -0.37 0.66 3.32 0.15 -1.26 -4.97 113.70 111.88 3kr5 s SER 435 Ca 0.03 -0.12 0.41 0.00 0.70 0.00 0.00 55.95 56.97 3kr5 s SER 435 Cb -0.13 0.48 2.23 0.00 -1.71 0.00 0.00 66.02 66.89 3kr5 s SER 435 CO 0.02 -0.81 2.26 0.07 1.20 0.00 0.00 173.24 175.97 3kr5 h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.97 -2.36 116.57 121.76 3kr5 h LYS 436 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kr5 h LYS 436 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kr5 h LYS 436 CO 0.31 0.00 -0.46 0.09 -2.00 0.00 0.00 179.45 177.39 3kr5 n ASN 437 N -3.01 1.89 -4.72 7.07 5.03 -1.26 -4.99 115.26 115.27 3kr5 n ASN 437 Ca -0.03 -1.43 -0.33 0.00 0.87 0.00 0.00 54.58 53.66 3kr5 n ASN 437 Cb 0.13 0.44 0.10 0.00 -1.02 0.00 0.00 39.78 39.44 3kr5 n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kr5 s SER 438 N -2.49 4.07 0.57 6.41 0.01 -0.89 -3.80 113.70 117.58 3kr5 s SER 438 Ca 0.19 2.26 -0.17 0.00 1.31 0.00 0.00 55.95 59.54 3kr5 s SER 438 Cb 0.18 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3kr5 s SER 438 CO 0.57 -2.34 1.07 -0.72 0.41 0.00 0.00 173.24 172.23 3kr5 s TYR 439 N -2.20 2.88 0.28 2.43 1.13 -1.26 -4.85 117.35 115.77 3kr5 s TYR 439 Ca 0.71 1.54 0.07 0.00 -1.41 0.00 0.00 57.07 57.99 3kr5 s TYR 439 Cb -0.26 -3.09 -0.03 0.00 -1.10 0.00 0.00 41.96 37.47 3kr5 s TYR 439 CO 0.48 -1.23 0.20 1.03 -2.51 0.00 0.00 175.55 173.53 3kr5 s ARG 440 N -3.78 2.78 0.30 -3.49 0.52 -1.26 -4.58 118.95 109.44 3kr5 s ARG 440 Ca 0.66 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3kr5 s ARG 440 Cb -0.18 -2.48 -0.11 0.00 0.52 0.00 0.00 34.95 32.70 3kr5 s ARG 440 CO 0.33 0.29 1.57 -2.14 0.02 0.00 0.00 175.30 175.36 3kr5 s PRO 441 N -3.87 4.13 0.00 3.54 0.02 -1.26 -2.20 135.00 135.36 3kr5 s PRO 441 Ca 0.35 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.93 3kr5 s PRO 441 Cb -0.07 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3kr5 s PRO 441 CO 0.25 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 3kr5 n GLY 442 N 1.96 3.38 3.72 0.52 0.00 0.49 -5.01 105.19 110.25 3kr5 n GLY 442 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kr5 n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr5 n ASP 443 N 0.01 3.04 -4.42 1.61 9.92 -0.93 -4.49 116.55 121.28 3kr5 n ASP 443 Ca 0.00 1.19 -0.35 0.00 -0.53 0.00 0.00 54.79 55.10 3kr5 n ASP 443 Cb 0.00 -1.53 -0.13 0.00 -0.64 0.00 0.00 41.12 38.82 3kr5 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr5 s ILE 444 N -1.13 3.93 0.23 0.53 1.01 -1.26 -0.01 121.20 124.51 3kr5 s ILE 444 Ca 0.56 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 61.00 3kr5 s ILE 444 Cb -0.52 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 3kr5 s ILE 444 CO 0.62 0.41 -0.19 0.27 0.00 0.00 0.00 174.94 176.05 3kr5 s ILE 445 N 1.20 2.19 -0.23 2.92 -4.36 0.57 -4.89 121.20 118.59 3kr5 s ILE 445 Ca 0.03 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.17 3kr5 s ILE 445 Cb -0.15 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.44 3kr5 s ILE 445 CO 0.01 -0.40 -0.10 -0.89 0.24 0.00 0.00 174.94 173.80 3kr5 s THR 446 N -2.45 2.66 0.89 8.37 2.01 -1.26 0.14 115.64 126.00 3kr5 s THR 446 Ca 0.25 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 3kr5 s THR 446 Cb -0.04 -2.31 0.13 0.00 0.01 0.00 0.00 72.50 70.29 3kr5 s THR 446 CO 0.11 0.28 1.09 0.00 -0.69 0.00 0.00 174.62 175.42 3kr5 s ALA 447 N 1.31 1.57 0.03 7.40 0.00 0.38 -2.68 121.76 129.77 3kr5 s ALA 447 Ca 0.01 -0.07 0.28 0.00 0.00 0.00 0.00 51.96 52.18 3kr5 s ALA 447 Cb -0.16 -3.19 1.51 0.00 0.00 0.00 0.00 23.12 21.28 3kr5 s ALA 447 CO -0.06 -2.33 1.86 0.66 0.00 0.00 0.00 175.76 175.89 3kr5 h SER 448 N -1.53 0.00 -0.55 0.00 4.64 -1.67 -0.23 113.55 114.21 3kr5 h SER 448 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kr5 h SER 448 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kr5 h SER 448 CO 0.55 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 3kr5 n ASN 449 N -2.49 3.03 0.00 4.97 6.94 -1.26 -4.93 115.26 121.52 3kr5 n ASN 449 Ca -0.02 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3kr5 n ASN 449 Cb 0.06 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 3kr5 n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kr5 n GLY 450 N 1.36 2.37 3.70 4.83 0.00 -0.10 -5.03 105.19 112.32 3kr5 n GLY 450 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.23 4.23 0.13 1.61 1.02 -1.26 -4.72 119.74 120.52 3kr5 s LYS 451 Ca 0.00 2.26 -0.26 0.00 0.02 0.00 0.00 55.97 57.99 3kr5 s LYS 451 Cb 0.00 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 3kr5 s LYS 451 CO 0.00 -0.64 0.80 0.95 -0.92 0.00 0.00 175.35 175.54 3kr5 s THR 452 N 1.97 4.47 -0.09 2.17 -4.23 -1.26 -0.47 115.64 118.19 3kr5 s THR 452 Ca 0.70 1.74 0.03 0.00 -1.18 0.00 0.00 61.69 62.99 3kr5 s THR 452 Cb -0.40 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.29 3kr5 s THR 452 CO 0.31 0.46 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.01 3kr5 s ILE 453 N -0.72 1.81 -0.21 2.99 1.01 0.38 -1.57 121.20 124.90 3kr5 s ILE 453 Ca 0.38 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3kr5 s ILE 453 Cb -0.23 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3kr5 s ILE 453 CO 0.26 0.51 0.69 -0.70 0.00 0.00 0.00 174.94 175.70 3kr5 s GLU 454 N 0.45 4.20 -0.49 2.79 2.12 0.21 -0.32 118.70 127.67 3kr5 s GLU 454 Ca -0.17 0.72 -0.28 0.00 0.36 0.00 0.00 54.97 55.60 3kr5 s GLU 454 Cb -0.17 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.65 3kr5 s GLU 454 CO 0.07 -0.33 1.10 0.08 -0.54 0.00 0.00 175.26 175.64 3kr5 s VAL 455 N 2.19 4.24 -0.18 3.70 1.01 0.98 -1.55 120.40 130.79 3kr5 s VAL 455 Ca 0.31 1.07 0.19 0.00 0.00 0.00 0.00 61.98 63.55 3kr5 s VAL 455 Cb -0.16 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 3kr5 s VAL 455 CO 0.10 -1.02 0.97 1.23 0.00 0.00 0.00 175.10 176.38 3kr5 h GLY 456 N 11.18 0.00 -5.31 4.51 0.00 -1.91 1.43 103.07 112.97 3kr5 h GLY 456 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.16 3kr5 h GLY 456 CO 1.12 0.00 -0.18 0.21 0.00 0.00 0.00 176.54 177.68 3kr5 s ASN 457 N -5.65 -1.12 0.40 0.19 3.84 -1.26 -4.73 114.94 106.61 3kr5 s ASN 457 Ca -0.01 1.36 0.29 0.00 0.21 0.00 0.00 52.86 54.70 3kr5 s ASN 457 Cb 0.09 2.19 1.35 0.00 -0.55 0.00 0.00 41.25 44.33 3kr5 s ASN 457 CO 0.79 -0.23 1.86 0.71 -2.79 0.00 0.00 177.10 177.45 3kr5 h THR 458 N 6.01 0.00 0.00 -5.21 1.35 -1.90 0.02 112.91 113.19 3kr5 h THR 458 Ca -0.19 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kr5 h THR 458 Cb 1.12 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kr5 h THR 458 CO 0.14 0.00 -0.11 -0.67 -0.25 0.00 0.00 175.52 174.63 3kr5 n ASP 459 N -2.57 0.17 -3.24 5.36 2.03 -0.72 -3.57 116.55 114.02 3kr5 n ASP 459 Ca 0.00 0.36 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 3kr5 n ASP 459 Cb 0.17 -0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 40.20 3kr5 n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kr5 n ALA 460 N -1.53 6.50 0.07 -1.67 0.00 -0.01 -4.67 120.51 119.21 3kr5 n ALA 460 Ca 0.07 -4.01 -0.00 0.00 0.00 0.00 0.00 53.44 49.49 3kr5 n ALA 460 Cb 0.35 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.37 3kr5 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr5 h GLU 461 N 3.94 0.00 0.03 0.00 9.09 -1.78 -3.37 114.58 122.49 3kr5 h GLU 461 Ca 0.58 0.00 0.01 0.00 0.05 0.00 0.00 59.36 60.00 3kr5 h GLU 461 Cb 0.36 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.44 3kr5 h GLU 461 CO 1.26 0.47 -0.10 0.78 0.05 0.00 0.00 179.01 181.48 3kr5 h GLY 462 N 3.53 -0.14 2.00 1.06 0.00 -1.91 -0.40 103.07 107.21 3kr5 h GLY 462 Ca -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3kr5 h GLY 462 CO 0.07 -0.10 -0.06 0.07 0.00 0.00 0.00 176.54 176.51 3kr5 h ARG 463 N -0.18 0.00 -0.11 4.80 0.11 -1.94 0.28 114.38 117.35 3kr5 h ARG 463 Ca 0.03 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.03 3kr5 h ARG 463 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3kr5 h ARG 463 CO -0.08 0.06 -0.22 -0.07 0.10 0.00 0.00 179.97 179.76 3kr5 h LEU 464 N 0.00 0.38 -0.53 0.08 3.38 -1.28 0.09 115.31 117.42 3kr5 h LEU 464 Ca -0.00 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 3kr5 h LEU 464 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kr5 h LEU 464 CO 0.01 0.87 0.02 0.71 0.09 0.00 0.00 178.44 180.14 3kr5 h THR 465 N -0.10 1.26 -0.54 0.22 1.35 -0.19 -2.92 112.91 111.99 3kr5 h THR 465 Ca 0.00 -1.07 -0.07 0.00 -0.55 0.00 0.00 66.41 64.72 3kr5 h THR 465 Cb 0.81 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3kr5 h THR 465 CO 0.05 0.38 0.06 -0.07 -0.25 0.00 0.00 175.52 175.70 3kr5 h LEU 466 N 0.81 0.84 -0.37 3.87 3.38 -0.49 -1.48 115.31 121.86 3kr5 h LEU 466 Ca 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 466 Cb 0.50 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 3kr5 h LEU 466 CO 0.02 0.86 -0.45 0.00 0.09 0.00 0.00 178.44 178.97 3kr5 h ALA 467 N 1.24 -0.50 -0.22 1.53 0.00 -0.77 0.83 119.26 121.36 3kr5 h ALA 467 Ca 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kr5 h ALA 467 Cb 0.40 0.91 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3kr5 h ALA 467 CO 0.01 -0.90 -0.19 -0.44 0.00 0.00 0.00 179.25 177.73 3kr5 h ASP 468 N -0.36 0.38 -0.35 0.00 3.32 -1.40 -1.28 116.42 116.72 3kr5 h ASP 468 Ca 0.12 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 3kr5 h ASP 468 Cb 0.59 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kr5 h ASP 468 CO -0.56 0.58 -0.16 0.00 -1.72 0.00 0.00 179.24 177.39 3kr5 h ALA 469 N 1.46 0.91 -0.32 3.45 0.00 -0.12 -1.45 119.26 123.19 3kr5 h ALA 469 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3kr5 h ALA 469 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kr5 h ALA 469 CO 0.04 0.62 -0.15 -0.07 0.00 0.00 0.00 179.25 179.69 3kr5 h LEU 470 N 0.72 0.68 -0.70 0.00 3.38 0.14 0.22 115.31 119.76 3kr5 h LEU 470 Ca 0.11 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3kr5 h LEU 470 Cb 0.66 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3kr5 h LEU 470 CO 0.05 0.93 0.45 0.58 0.09 0.00 0.00 178.44 180.54 3kr5 h VAL 471 N 0.42 1.15 -0.03 1.22 2.07 -1.17 0.11 116.25 120.02 3kr5 h VAL 471 Ca 0.07 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3kr5 h VAL 471 Cb 0.67 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3kr5 h VAL 471 CO 0.04 0.17 -0.02 0.22 0.02 0.00 0.00 177.57 178.00 3kr5 h TYR 472 N 0.91 -0.05 -0.45 1.57 3.20 -1.03 -1.96 116.97 119.18 3kr5 h TYR 472 Ca 0.27 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.19 3kr5 h TYR 472 Cb -0.06 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3kr5 h TYR 472 CO -0.03 -0.03 0.18 0.00 -1.64 0.00 0.00 178.16 176.63 3kr5 h ALA 473 N 1.01 0.55 -0.10 1.82 0.00 0.12 -1.84 119.26 120.82 3kr5 h ALA 473 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 473 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kr5 h ALA 473 CO -0.05 -0.20 -0.25 1.49 0.00 0.00 0.00 179.25 180.24 3kr5 h GLU 474 N 0.36 0.18 0.00 0.00 4.81 -0.68 -0.68 114.58 118.57 3kr5 h GLU 474 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3kr5 h GLU 474 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3kr5 h GLU 474 CO -0.19 0.42 0.00 0.87 -0.73 0.00 0.00 179.01 179.38 3kr5 h LYS 475 N 0.16 0.00 0.00 1.92 1.57 -0.54 -1.55 116.57 118.14 3kr5 h LYS 475 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kr5 h LYS 475 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kr5 h LYS 475 CO 0.04 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.85 3kr5 h LEU 476 N 0.00 0.00 -2.18 2.94 4.07 -0.87 -3.47 115.31 115.80 3kr5 h LEU 476 Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 3kr5 h LEU 476 Cb 0.32 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.17 3kr5 h LEU 476 CO 0.00 0.00 -0.48 0.61 -1.08 0.00 0.00 178.44 177.49 3kr5 n GLY 477 N 0.26 -0.16 4.00 0.83 0.00 -0.58 -5.05 105.19 104.49 3kr5 n GLY 477 Ca 0.02 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3kr5 n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr5 s VAL 478 N -3.22 2.65 -0.11 1.61 -7.23 -1.26 -4.95 120.40 107.89 3kr5 s VAL 478 Ca 0.12 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3kr5 s VAL 478 Cb -0.02 -2.83 -0.25 0.00 0.56 0.00 0.00 36.38 33.85 3kr5 s VAL 478 CO 0.43 0.00 0.42 0.47 -0.31 0.00 0.00 175.10 176.11 3kr5 n ASP 479 N -2.22 1.65 -4.08 4.85 8.00 0.17 -4.90 116.55 120.02 3kr5 n ASP 479 Ca 0.10 0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 3kr5 n ASP 479 Cb 0.60 -0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 3kr5 n ASP 479 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kr5 s TYR 480 N -2.57 1.03 -0.17 1.24 2.02 -1.04 -3.63 117.35 114.24 3kr5 s TYR 480 Ca -0.17 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3kr5 s TYR 480 Cb 0.07 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 3kr5 s TYR 480 CO 0.78 -0.01 -0.20 0.42 -1.57 0.00 0.00 175.55 174.98 3kr5 s ILE 481 N -0.44 2.00 -0.18 2.71 1.01 -0.42 -0.71 121.20 125.17 3kr5 s ILE 481 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3kr5 s ILE 481 Cb -0.05 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3kr5 s ILE 481 CO -0.00 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 3kr5 s VAL 482 N 1.20 2.61 0.07 2.92 1.01 0.22 -1.43 120.40 127.01 3kr5 s VAL 482 Ca 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3kr5 s VAL 482 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3kr5 s VAL 482 CO -0.10 0.50 0.06 1.51 0.00 0.00 0.00 175.10 177.07 3kr5 s ASP 483 N 1.20 5.45 -0.03 3.32 1.47 -0.20 0.33 116.67 128.22 3kr5 s ASP 483 Ca 0.02 -0.02 0.01 0.00 1.18 0.00 0.00 52.55 53.74 3kr5 s ASP 483 Cb -0.14 -1.45 0.02 0.00 -0.34 0.00 0.00 42.92 41.01 3kr5 s ASP 483 CO -0.06 0.19 -0.04 -0.51 0.68 0.00 0.00 175.17 175.43 3kr5 s ILE 484 N -1.34 0.44 -0.27 2.11 2.07 0.12 -0.18 121.20 124.14 3kr5 s ILE 484 Ca 0.28 -0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.15 3kr5 s ILE 484 Cb -0.12 -0.45 0.09 0.00 0.13 0.00 0.00 42.46 42.11 3kr5 s ILE 484 CO 0.20 0.18 0.83 0.00 -1.91 0.00 0.00 174.94 174.25 3kr5 s ALA 485 N 0.67 -1.85 -1.36 1.50 0.00 -0.25 -0.93 121.76 119.53 3kr5 s ALA 485 Ca -0.08 1.95 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 3kr5 s ALA 485 Cb -0.11 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.83 3kr5 s ALA 485 CO -0.00 -0.30 1.93 0.25 0.00 0.00 0.00 175.76 177.64 3kr5 n THR 486 N 2.44 3.74 -0.02 0.00 -2.24 -1.26 -0.57 114.28 116.37 3kr5 n THR 486 Ca -0.14 -3.67 -0.22 0.00 -2.27 0.00 0.00 64.05 57.76 3kr5 n THR 486 Cb 0.55 -2.45 -0.13 0.00 -2.10 0.00 0.00 70.33 66.20 3kr5 n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kr5 h LEU 487 N 11.60 0.31 -7.45 3.22 5.85 -1.90 -3.44 115.31 123.50 3kr5 h LEU 487 Ca 0.50 -0.82 -0.33 0.00 0.84 0.00 0.00 57.88 58.07 3kr5 h LEU 487 Cb 0.78 -0.10 -0.36 0.00 0.37 0.00 0.00 40.66 41.35 3kr5 h LEU 487 CO 1.63 1.72 -0.74 0.42 -0.34 0.00 0.00 178.44 181.13 3kr5 s THR 488 N -2.49 -0.05 0.54 1.05 -4.23 -1.26 -4.93 115.64 104.26 3kr5 s THR 488 Ca -0.23 0.28 0.21 0.00 -1.18 0.00 0.00 61.69 60.77 3kr5 s THR 488 Cb 0.06 -0.13 0.33 0.00 1.34 0.00 0.00 72.50 74.10 3kr5 s THR 488 CO 0.73 0.13 2.10 1.23 -0.54 0.00 0.00 174.62 178.26 3kr5 h GLY 489 N 7.72 0.00 -0.08 3.99 0.00 -1.93 -1.48 103.07 111.30 3kr5 h GLY 489 Ca -0.33 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.29 3kr5 h GLY 489 CO 0.36 0.00 0.76 0.00 0.00 0.00 0.00 176.54 177.66 3kr5 h ALA 490 N 1.88 2.90 -0.59 3.60 0.00 -1.95 0.62 119.26 125.72 3kr5 h ALA 490 Ca 0.10 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3kr5 h ALA 490 Cb 0.40 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kr5 h ALA 490 CO -0.00 -1.27 0.42 0.52 0.00 0.00 0.00 179.25 178.91 3kr5 h MET 491 N 0.00 0.11 0.00 0.00 2.86 -1.65 0.56 114.93 116.80 3kr5 h MET 491 Ca 0.47 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 58.05 3kr5 h MET 491 Cb 1.99 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.62 3kr5 h MET 491 CO -0.00 0.07 -0.26 -0.07 1.06 0.00 0.00 176.91 177.70 3kr5 h LEU 492 N 0.11 0.00 0.00 1.22 3.38 -1.09 0.42 115.31 119.36 3kr5 h LEU 492 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3kr5 h LEU 492 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kr5 h LEU 492 CO -0.03 0.26 -1.22 -1.22 0.09 0.00 0.00 178.44 176.32 3kr5 n TYR 493 N -3.97 0.95 -0.03 1.13 4.02 0.18 -3.31 117.16 116.12 3kr5 n TYR 493 Ca -0.02 0.29 -0.02 0.00 -0.01 0.00 0.00 57.90 58.14 3kr5 n TYR 493 Cb 0.34 -1.01 -0.01 0.00 -0.02 0.00 0.00 39.34 38.64 3kr5 n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kr5 n SER 494 N -2.76 0.77 -0.01 7.72 3.41 -0.18 -4.79 113.62 117.78 3kr5 n SER 494 Ca -0.05 0.33 0.09 0.00 -0.26 0.00 0.00 58.87 58.99 3kr5 n SER 494 Cb 0.68 -0.64 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 3kr5 n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kr5 n LEU 495 N -3.26 0.17 0.00 1.04 4.77 -0.15 -5.08 117.00 114.49 3kr5 n LEU 495 Ca -0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kr5 n LEU 495 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3kr5 n LEU 495 CO 0.06 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3kr5 n GLY 496 N 1.43 -0.43 0.45 -0.72 0.00 -0.04 -4.29 105.19 101.59 3kr5 n GLY 496 Ca -0.02 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.76 3kr5 n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr5 n THR 497 N 0.00 0.00 -0.09 2.61 -2.24 -1.26 -4.20 114.28 109.11 3kr5 n THR 497 Ca 0.00 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 3kr5 n THR 497 Cb 0.00 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 3kr5 n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kr5 n SER 498 N -0.14 1.92 -4.32 3.42 7.64 -1.26 -4.22 113.62 116.66 3kr5 n SER 498 Ca 0.10 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 3kr5 n SER 498 Cb 0.44 0.20 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 3kr5 n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kr5 s TYR 499 N -2.39 2.78 0.68 1.43 4.12 -1.26 -4.41 117.35 118.31 3kr5 s TYR 499 Ca -0.18 -0.82 -0.11 0.00 0.02 0.00 0.00 57.07 55.97 3kr5 s TYR 499 Cb 0.06 -1.85 0.00 0.00 -1.52 0.00 0.00 41.96 38.65 3kr5 s TYR 499 CO 0.53 -0.33 1.06 0.00 0.02 0.00 0.00 175.55 176.84 3kr5 s ALA 500 N 0.52 2.82 -0.14 3.71 0.00 -0.48 -4.58 121.76 123.61 3kr5 s ALA 500 Ca -0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 3kr5 s ALA 500 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3kr5 s ALA 500 CO 0.04 -1.08 0.10 0.20 0.00 0.00 0.00 175.76 175.02 3kr5 s GLY 501 N -4.08 2.04 -0.12 0.00 0.00 -0.85 -0.26 107.32 104.04 3kr5 s GLY 501 Ca 0.57 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.63 3kr5 s GLY 501 CO 0.54 -0.21 -0.22 0.54 0.00 0.00 0.00 173.10 173.75 3kr5 s VAL 502 N -0.43 2.16 0.18 1.40 0.11 0.87 0.14 120.40 124.84 3kr5 s VAL 502 Ca 0.11 -0.97 0.10 0.00 -2.93 0.00 0.00 61.98 58.29 3kr5 s VAL 502 Cb -0.12 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 3kr5 s VAL 502 CO 0.02 0.55 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.77 3kr5 s PHE 503 N 0.58 2.04 0.14 1.54 0.08 0.28 -0.62 117.98 122.02 3kr5 s PHE 503 Ca -0.12 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.26 3kr5 s PHE 503 Cb -0.17 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.35 3kr5 s PHE 503 CO 0.03 0.42 1.01 0.20 -0.10 0.00 0.00 175.22 176.79 3kr5 s GLY 504 N -2.72 -0.22 0.00 4.36 0.00 -1.26 0.12 107.32 107.60 3kr5 s GLY 504 Ca 0.19 0.14 0.16 0.00 0.00 0.00 0.00 44.72 45.21 3kr5 s GLY 504 CO 0.08 0.26 1.34 1.16 0.00 0.00 0.00 173.10 175.95 3kr5 n ASN 505 N -0.56 3.27 -3.67 1.64 0.23 0.04 -4.76 115.26 111.45 3kr5 n ASN 505 Ca -0.06 -1.97 -0.13 0.00 -0.53 0.00 0.00 54.58 51.89 3kr5 n ASN 505 Cb 0.61 -0.31 -0.13 0.00 -2.08 0.00 0.00 39.78 37.87 3kr5 n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 506 N -1.04 0.22 0.12 0.53 3.84 -1.26 -4.86 114.94 112.50 3kr5 s ASN 506 Ca 0.33 0.63 -0.17 0.00 0.21 0.00 0.00 52.86 53.86 3kr5 s ASN 506 Cb 0.17 0.74 -0.04 0.00 -0.55 0.00 0.00 41.25 41.57 3kr5 s ASN 506 CO 0.23 -0.23 1.65 -0.08 -2.79 0.00 0.00 177.10 175.88 3kr5 h GLU 507 N 8.16 0.49 -0.30 0.43 4.81 -1.96 -1.39 114.58 124.82 3kr5 h GLU 507 Ca -0.17 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3kr5 h GLU 507 Cb 1.12 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 3kr5 h GLU 507 CO 0.16 0.51 0.06 1.49 -0.73 0.00 0.00 179.01 180.49 3kr5 h GLU 508 N 0.38 0.16 -0.35 1.92 4.57 -1.99 0.19 114.58 119.47 3kr5 h GLU 508 Ca 0.11 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3kr5 h GLU 508 Cb 0.20 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3kr5 h GLU 508 CO -0.01 0.11 0.20 1.25 -1.18 0.00 0.00 179.01 179.38 3kr5 h LEU 509 N 0.17 0.43 -0.39 1.64 5.85 -1.94 -0.50 115.31 120.57 3kr5 h LEU 509 Ca 0.14 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3kr5 h LEU 509 Cb 0.15 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3kr5 h LEU 509 CO -0.18 0.38 0.12 0.40 -0.34 0.00 0.00 178.44 178.81 3kr5 h ILE 510 N 0.44 0.85 -0.81 4.05 2.04 -0.67 -1.14 117.51 122.28 3kr5 h ILE 510 Ca 0.12 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3kr5 h ILE 510 Cb 0.04 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3kr5 h ILE 510 CO -0.02 0.05 0.53 0.78 0.00 0.00 0.00 178.15 179.49 3kr5 h ASN 511 N 0.26 0.91 -0.12 1.72 2.35 -0.28 0.43 115.58 120.86 3kr5 h ASN 511 Ca 0.18 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kr5 h ASN 511 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3kr5 h ASN 511 CO -0.21 0.66 0.08 0.11 -1.65 0.00 0.00 177.43 176.41 3kr5 h LYS 512 N 1.08 0.15 -0.53 0.81 1.57 -0.39 -0.08 116.57 119.17 3kr5 h LYS 512 Ca 0.30 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 3kr5 h LYS 512 Cb -0.10 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 3kr5 h LYS 512 CO -0.07 0.10 0.24 0.82 -0.57 0.00 0.00 179.45 179.97 3kr5 h ILE 513 N 0.16 0.89 -0.97 1.86 1.08 -0.52 0.55 117.51 120.55 3kr5 h ILE 513 Ca 0.04 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3kr5 h ILE 513 Cb -0.01 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 34.09 3kr5 h ILE 513 CO -0.01 0.08 0.62 -0.07 -0.69 0.00 0.00 178.15 178.07 3kr5 h LEU 514 N 0.45 1.14 -0.79 1.44 3.38 -0.50 0.34 115.31 120.78 3kr5 h LEU 514 Ca 0.25 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kr5 h LEU 514 Cb 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kr5 h LEU 514 CO -0.21 0.85 0.19 -0.61 0.09 0.00 0.00 178.44 178.76 3kr5 h GLN 515 N 1.33 1.10 -0.22 1.13 5.75 -0.53 -0.35 115.11 123.32 3kr5 h GLN 515 Ca 0.35 -0.25 -0.11 0.00 -0.15 0.00 0.00 58.65 58.50 3kr5 h GLN 515 Cb -0.11 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 3kr5 h GLN 515 CO -0.07 0.96 -0.32 0.77 -2.65 0.00 0.00 178.83 177.51 3kr5 h SER 516 N 1.05 0.47 -0.20 -0.69 0.02 -0.09 -1.17 113.55 112.94 3kr5 h SER 516 Ca 0.22 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3kr5 h SER 516 Cb 0.33 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3kr5 h SER 516 CO -0.00 0.77 0.10 -1.28 -1.14 0.00 0.00 176.83 175.28 3kr5 h SER 517 N 0.39 0.26 -0.53 3.07 0.87 0.41 0.11 113.55 118.15 3kr5 h SER 517 Ca 0.05 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3kr5 h SER 517 Cb 0.76 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 3kr5 h SER 517 CO 0.06 0.31 0.30 0.11 -0.53 0.00 0.00 176.83 177.09 3kr5 h LYS 518 N 0.20 0.58 0.00 2.24 6.56 -0.83 0.43 116.57 125.75 3kr5 h LYS 518 Ca 0.07 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.50 3kr5 h LYS 518 Cb 0.12 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 3kr5 h LYS 518 CO -0.01 0.39 -0.81 1.79 -2.06 0.00 0.00 179.45 178.75 3kr5 h THR 519 N 0.60 0.76 0.00 -0.16 1.35 -1.08 -3.20 112.91 111.18 3kr5 h THR 519 Ca 0.22 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3kr5 h THR 519 Cb 0.05 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3kr5 h THR 519 CO -0.11 0.43 -0.49 0.77 -0.25 0.00 0.00 175.52 175.87 3kr5 h SER 520 N 0.00 0.00 -2.89 5.36 4.64 -0.69 -3.46 113.55 116.50 3kr5 h SER 520 Ca -0.05 -0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.88 3kr5 h SER 520 Cb 1.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3kr5 h SER 520 CO 0.06 0.01 -0.48 0.59 -0.87 0.00 0.00 176.83 176.14 3kr5 n ASN 521 N -2.75 -5.38 -4.23 4.97 3.02 0.13 -4.83 115.26 106.19 3kr5 n ASN 521 Ca 0.02 -0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.10 3kr5 n ASN 521 Cb 0.52 -4.40 -0.09 0.00 -0.61 0.00 0.00 39.78 35.20 3kr5 n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kr5 s GLU 522 N -5.04 2.50 0.14 3.52 2.02 -1.13 -4.94 118.70 115.77 3kr5 s GLU 522 Ca 0.05 -1.67 -0.31 0.00 0.02 0.00 0.00 54.97 53.06 3kr5 s GLU 522 Cb -0.02 -3.87 -0.09 0.00 0.10 0.00 0.00 34.13 30.24 3kr5 s GLU 522 CO 0.07 -1.11 1.50 -2.14 0.02 0.00 0.00 175.26 173.59 3kr5 s PRO 523 N 1.38 4.26 0.06 0.39 0.02 -1.26 -4.55 135.00 135.29 3kr5 s PRO 523 Ca 0.05 2.24 0.05 0.00 0.02 0.00 0.00 61.00 63.36 3kr5 s PRO 523 Cb -0.25 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 3kr5 s PRO 523 CO 0.00 -0.54 -0.14 0.08 -0.33 0.00 0.00 177.00 176.07 3kr5 s VAL 524 N 1.17 1.09 -0.01 3.83 1.01 -1.26 -1.38 120.40 124.85 3kr5 s VAL 524 Ca 0.68 -1.18 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3kr5 s VAL 524 Cb -0.41 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3kr5 s VAL 524 CO 0.31 -0.15 -0.17 0.86 0.00 0.00 0.00 175.10 175.95 3kr5 s TRP 525 N -1.12 1.53 -0.16 5.22 -0.11 0.64 -4.89 118.94 120.05 3kr5 s TRP 525 Ca -0.01 -0.30 -0.29 0.00 1.22 0.00 0.00 56.10 56.72 3kr5 s TRP 525 Cb -0.09 -0.99 -0.01 0.00 -1.50 0.00 0.00 33.47 30.89 3kr5 s TRP 525 CO 0.02 -0.03 1.09 -0.46 -4.62 0.00 0.00 176.95 172.94 3kr5 s TRP 526 N -0.37 3.29 0.09 5.86 -0.00 -1.26 -0.09 118.94 126.46 3kr5 s TRP 526 Ca 0.06 1.40 0.07 0.00 -0.00 0.00 0.00 56.10 57.63 3kr5 s TRP 526 Cb -0.07 -3.31 -0.04 0.00 -0.00 0.00 0.00 33.47 30.06 3kr5 s TRP 526 CO -0.00 -0.72 -0.13 -0.51 -0.00 0.00 0.00 176.95 175.59 3kr5 s LEU 527 N 2.76 2.91 0.31 5.86 1.43 0.21 -4.90 118.68 127.25 3kr5 s LEU 527 Ca 0.49 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 3kr5 s LEU 527 Cb -0.18 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 3kr5 s LEU 527 CO 0.13 0.20 0.88 -2.16 0.23 0.00 0.00 176.35 175.63 3kr5 s PRO 528 N -2.02 4.42 -0.58 1.29 0.04 -1.26 -4.30 135.00 132.59 3kr5 s PRO 528 Ca 0.19 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 3kr5 s PRO 528 Cb -0.11 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.78 3kr5 s PRO 528 CO 0.11 0.26 0.86 0.42 0.04 0.00 0.00 177.00 178.69 3kr5 s ILE 529 N -1.69 4.51 -0.43 0.56 1.01 -1.26 -4.82 121.20 119.09 3kr5 s ILE 529 Ca 0.50 -0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 3kr5 s ILE 529 Cb -0.16 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 37.79 3kr5 s ILE 529 CO 0.21 -1.18 0.80 -0.63 0.00 0.00 0.00 174.94 174.14 3kr5 s ILE 530 N 3.58 4.66 0.38 2.92 1.01 -1.26 -4.91 121.20 127.58 3kr5 s ILE 530 Ca 0.22 0.60 0.19 0.00 0.00 0.00 0.00 60.65 61.65 3kr5 s ILE 530 Cb -0.17 -4.30 0.19 0.00 0.01 0.00 0.00 42.46 38.19 3kr5 s ILE 530 CO 0.13 -0.64 1.94 0.78 0.00 0.00 0.00 174.94 177.15 3kr5 h ASN 531 N 8.84 0.00 -0.83 3.58 2.35 -1.99 -2.27 115.58 125.27 3kr5 h ASN 531 Ca -0.25 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.74 3kr5 h ASN 531 Cb 1.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 3kr5 h ASN 531 CO 0.95 0.24 0.62 -0.08 -1.65 0.00 0.00 177.43 177.51 3kr5 h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.05 0.10 114.58 118.26 3kr5 h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kr5 h GLU 532 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3kr5 h GLU 532 CO 0.03 0.00 -0.02 1.88 -0.73 0.00 0.00 179.01 180.17 3kr5 h TYR 533 N 0.00 0.00 -0.93 0.92 0.99 -1.82 -3.34 116.97 112.79 3kr5 h TYR 533 Ca 0.39 0.00 0.24 0.00 2.00 0.00 0.00 58.73 61.36 3kr5 h TYR 533 Cb 1.64 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 39.24 3kr5 h TYR 533 CO 0.00 0.00 0.44 -0.09 -0.00 0.00 0.00 178.16 178.51 3kr5 h ARG 534 N 0.00 0.40 -0.10 4.88 9.65 -0.93 -0.54 114.38 127.74 3kr5 h ARG 534 Ca 0.00 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3kr5 h ARG 534 Cb 0.81 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3kr5 h ARG 534 CO 0.00 0.27 0.10 0.00 2.80 0.00 0.00 179.97 183.13 3kr5 h ALA 535 N 1.74 1.79 0.00 2.80 0.00 -1.76 -0.04 119.26 123.79 3kr5 h ALA 535 Ca 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3kr5 h ALA 535 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kr5 h ALA 535 CO -0.54 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 178.81 3kr5 n THR 536 N -4.01 0.06 0.59 0.00 -2.24 -0.21 -1.54 114.28 106.91 3kr5 n THR 536 Ca -0.01 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 3kr5 n THR 536 Cb 0.20 -0.58 0.23 0.00 -2.10 0.00 0.00 70.33 68.08 3kr5 n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr5 n LEU 537 N -1.10 3.09 -4.55 3.22 4.77 -0.03 -4.22 117.00 118.18 3kr5 n LEU 537 Ca 0.18 -1.27 -0.39 0.00 -0.03 0.00 0.00 56.01 54.50 3kr5 n LEU 537 Cb 0.13 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3kr5 n LEU 537 CO 0.17 0.64 1.49 0.20 -1.33 0.00 0.00 177.39 178.56 3kr5 s ASN 538 N -1.60 5.50 0.40 -1.43 0.01 -0.59 0.16 114.94 117.38 3kr5 s ASN 538 Ca 0.36 0.08 -0.24 0.00 -0.71 0.00 0.00 52.86 52.34 3kr5 s ASN 538 Cb 0.22 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 3kr5 s ASN 538 CO 0.31 -2.25 1.06 -0.55 -1.51 0.00 0.00 177.10 174.16 3kr5 s SER 539 N 7.00 6.74 0.26 -1.22 0.15 -1.26 -4.85 113.70 120.52 3kr5 s SER 539 Ca 0.59 2.07 0.06 0.00 0.70 0.00 0.00 55.95 59.37 3kr5 s SER 539 Cb -0.11 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 61.93 3kr5 s SER 539 CO 0.18 -0.51 1.60 0.50 1.20 0.00 0.00 173.24 176.22 3kr5 h LYS 540 N 2.53 0.18 0.00 5.44 1.63 -1.96 -3.40 116.57 120.99 3kr5 h LYS 540 Ca -0.48 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.04 3kr5 h LYS 540 Cb 1.22 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3kr5 h LYS 540 CO 0.62 0.70 -1.57 0.66 -3.45 0.00 0.00 179.45 176.41 3kr5 n TYR 541 N -3.89 0.00 -2.35 1.91 4.01 -1.26 -5.04 117.16 110.54 3kr5 n TYR 541 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3kr5 n TYR 541 Cb 0.59 -0.38 0.13 0.00 -0.31 0.00 0.00 39.34 39.37 3kr5 n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kr5 s ALA 542 N -2.19 3.21 0.24 -0.72 0.00 -1.26 -4.99 121.76 116.05 3kr5 s ALA 542 Ca -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 3kr5 s ALA 542 Cb 0.04 -2.30 0.26 0.00 0.00 0.00 0.00 23.12 21.13 3kr5 s ALA 542 CO 0.21 -1.72 1.64 -0.44 0.00 0.00 0.00 175.76 175.45 3kr5 h ASP 543 N -0.86 0.63 -4.92 0.00 3.32 -1.61 -3.39 116.42 109.60 3kr5 h ASP 543 Ca -0.40 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.31 3kr5 h ASP 543 Cb 1.26 -0.18 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 3kr5 h ASP 543 CO 0.42 0.90 -0.16 -0.51 -1.72 0.00 0.00 179.24 178.17 3kr5 s ILE 544 N -4.45 0.04 0.25 0.35 2.07 -0.74 -4.47 121.20 114.25 3kr5 s ILE 544 Ca -0.08 -0.33 -0.20 0.00 -1.41 0.00 0.00 60.65 58.64 3kr5 s ILE 544 Cb 0.13 -0.71 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 3kr5 s ILE 544 CO 0.82 -0.18 0.75 0.20 -1.91 0.00 0.00 174.94 174.62 3kr5 s ASN 545 N -1.20 7.04 0.03 4.50 0.01 0.12 -0.62 114.94 124.83 3kr5 s ASN 545 Ca -0.12 1.45 -0.20 0.00 -0.71 0.00 0.00 52.86 53.28 3kr5 s ASN 545 Cb -0.04 -2.43 -0.17 0.00 0.41 0.00 0.00 41.25 39.02 3kr5 s ASN 545 CO 0.05 -0.02 1.24 -0.61 -1.51 0.00 0.00 177.10 176.25 3kr5 h GLN 546 N 3.19 0.39 -6.24 -0.60 4.15 -1.60 -3.46 115.11 110.94 3kr5 h GLN 546 Ca -0.48 -0.28 -0.61 0.00 0.77 0.00 0.00 58.65 58.05 3kr5 h GLN 546 Cb 1.19 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.79 3kr5 h GLN 546 CO 0.65 0.90 -0.76 0.96 -1.93 0.00 0.00 178.83 178.65 3kr5 s ILE 547 N -3.84 2.52 0.55 2.39 -4.36 -1.26 -4.88 121.20 112.32 3kr5 s ILE 547 Ca -0.14 -2.36 -0.18 0.00 -0.26 0.00 0.00 60.65 57.72 3kr5 s ILE 547 Cb 0.05 -2.32 -0.06 0.00 1.25 0.00 0.00 42.46 41.38 3kr5 s ILE 547 CO 0.78 -0.38 1.05 -0.55 0.24 0.00 0.00 174.94 176.08 3kr5 s SER 548 N -3.46 6.00 -0.19 4.36 0.15 -1.26 -4.76 113.70 114.54 3kr5 s SER 548 Ca 0.29 1.87 -0.18 0.00 0.70 0.00 0.00 55.95 58.64 3kr5 s SER 548 Cb -0.05 -2.54 -0.21 0.00 -1.71 0.00 0.00 66.02 61.51 3kr5 s SER 548 CO 0.15 -1.02 0.22 -1.54 1.20 0.00 0.00 173.24 172.26 3kr5 n SER 549 N -1.60 1.93 -0.04 5.45 3.41 -1.26 -4.75 113.62 116.75 3kr5 n SER 549 Ca 0.09 0.36 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 3kr5 n SER 549 Cb 0.53 -0.93 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3kr5 n SER 549 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kr5 h SER 550 N -0.73 0.00 -2.54 4.04 4.64 -1.94 -3.47 113.55 113.55 3kr5 h SER 550 Ca -0.38 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.39 3kr5 h SER 550 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3kr5 h SER 550 CO -0.15 0.45 1.13 -0.69 -0.87 0.00 0.00 176.83 176.70 3kr5 s VAL 551 N -1.59 3.41 -1.02 0.95 1.01 -1.26 -4.88 120.40 117.02 3kr5 s VAL 551 Ca -0.04 0.50 0.28 0.00 0.00 0.00 0.00 61.98 62.72 3kr5 s VAL 551 Cb 0.00 -3.32 0.17 0.00 0.00 0.00 0.00 36.38 33.23 3kr5 s VAL 551 CO 0.05 -0.04 1.75 0.29 0.00 0.00 0.00 175.10 177.15 3kr5 n LYS 552 N 7.26 0.02 -1.51 2.72 5.02 -1.26 -4.48 118.16 125.93 3kr5 n LYS 552 Ca 0.18 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 3kr5 n LYS 552 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -1.48 4.29 0.21 7.82 0.00 -1.26 -4.75 120.51 125.33 3kr5 n ALA 553 Ca 0.07 -3.59 0.09 0.00 0.00 0.00 0.00 53.44 50.01 3kr5 n ALA 553 Cb 0.34 -3.59 0.32 0.00 0.00 0.00 0.00 19.45 16.52 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 7.08 0.00 -0.48 0.00 4.64 -1.98 -0.91 113.55 121.90 3kr5 h SER 554 Ca 0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.67 3kr5 h SER 554 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3kr5 h SER 554 CO 1.88 0.23 -0.22 0.28 -0.87 0.00 0.00 176.83 178.13 3kr5 h SER 555 N 0.00 1.03 -0.09 4.97 0.02 -1.93 0.14 113.55 117.68 3kr5 h SER 555 Ca -0.00 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 3kr5 h SER 555 Cb 0.94 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3kr5 h SER 555 CO 0.03 1.19 -0.16 0.40 -1.14 0.00 0.00 176.83 177.16 3kr5 h ILE 556 N 0.86 1.39 -0.47 3.27 2.04 -1.70 -1.85 117.51 121.05 3kr5 h ILE 556 Ca 0.11 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.62 3kr5 h ILE 556 Cb 0.80 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.93 3kr5 h ILE 556 CO 0.07 0.40 0.12 0.58 0.00 0.00 0.00 178.15 179.32 3kr5 h VAL 557 N -0.18 0.77 -0.94 1.67 2.07 -1.13 0.18 116.25 118.68 3kr5 h VAL 557 Ca 0.01 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kr5 h VAL 557 Cb 0.73 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3kr5 h VAL 557 CO 0.04 0.05 0.62 0.00 0.02 0.00 0.00 177.57 178.29 3kr5 h ALA 558 N 1.35 1.22 -0.21 1.67 0.00 -0.72 0.49 119.26 123.06 3kr5 h ALA 558 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kr5 h ALA 558 Cb 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kr5 h ALA 558 CO -0.28 0.54 0.06 0.77 0.00 0.00 0.00 179.25 180.33 3kr5 h SER 559 N 1.23 0.31 -0.76 0.00 0.02 -0.43 0.11 113.55 114.04 3kr5 h SER 559 Ca 0.36 -0.22 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 3kr5 h SER 559 Cb -0.07 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.31 3kr5 h SER 559 CO -0.10 0.45 0.38 -0.07 -1.14 0.00 0.00 176.83 176.36 3kr5 h LEU 560 N 0.16 0.49 -0.23 5.07 3.38 -0.13 0.34 115.31 124.41 3kr5 h LEU 560 Ca 0.07 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kr5 h LEU 560 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 560 CO -0.00 0.26 0.10 0.15 0.09 0.00 0.00 178.44 179.04 3kr5 h PHE 561 N 0.63 0.34 -0.84 1.13 3.04 -0.32 -2.79 116.94 118.12 3kr5 h PHE 561 Ca 0.38 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.31 3kr5 h PHE 561 Cb 0.44 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 3kr5 h PHE 561 CO -0.10 0.35 0.53 -0.07 -2.02 0.00 0.00 178.31 177.00 3kr5 h LEU 562 N 0.23 0.99 -1.59 0.59 3.38 0.15 -2.46 115.31 116.59 3kr5 h LEU 562 Ca 0.08 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.22 3kr5 h LEU 562 Cb 0.15 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3kr5 h LEU 562 CO -0.01 0.74 0.61 0.50 0.09 0.00 0.00 178.44 180.38 3kr5 h LYS 563 N 1.14 0.31 0.00 1.13 3.64 -0.09 0.41 116.57 123.12 3kr5 h LYS 563 Ca 0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3kr5 h LYS 563 Cb -0.08 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3kr5 h LYS 563 CO -0.06 0.21 0.00 0.39 -2.27 0.00 0.00 179.45 177.72 3kr5 n GLU 564 N -4.47 0.15 -0.14 1.90 -0.58 -0.93 -1.95 120.64 114.62 3kr5 n GLU 564 Ca 0.20 0.59 0.07 0.00 -0.42 0.00 0.00 57.16 57.59 3kr5 n GLU 564 Cb 0.77 -1.93 0.14 0.00 -0.57 0.00 0.00 31.44 29.85 3kr5 n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kr5 n PHE 565 N -2.24 0.36 -3.99 -0.32 3.01 0.14 -4.74 117.46 109.68 3kr5 n PHE 565 Ca -0.01 -0.30 -0.33 0.00 1.01 0.00 0.00 57.45 57.82 3kr5 n PHE 565 Cb 0.08 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 3kr5 n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kr5 s VAL 566 N -1.07 2.52 0.02 -4.37 1.01 -0.82 -3.78 120.40 113.90 3kr5 s VAL 566 Ca 0.24 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 3kr5 s VAL 566 Cb 0.14 -2.53 -0.25 0.00 0.00 0.00 0.00 36.38 33.73 3kr5 s VAL 566 CO 0.19 -0.16 1.09 1.56 0.00 0.00 0.00 175.10 177.78 3kr5 h GLN 567 N 7.84 0.48 0.00 2.72 1.08 -1.85 -3.44 115.11 121.95 3kr5 h GLN 567 Ca -0.18 -0.56 -0.12 0.00 -1.45 0.00 0.00 58.65 56.34 3kr5 h GLN 567 Cb 1.05 0.17 -0.18 0.00 -0.05 0.00 0.00 27.48 28.47 3kr5 h GLN 567 CO 0.51 1.20 -0.48 -1.71 -0.95 0.00 0.00 178.83 177.39 3kr5 n ASN 568 N -4.08 -0.24 -4.14 1.46 5.15 -1.26 -5.10 115.26 107.05 3kr5 n ASN 568 Ca -0.11 -1.88 -0.23 0.00 -0.60 0.00 0.00 54.58 51.76 3kr5 n ASN 568 Cb 0.77 0.06 -0.15 0.00 -0.53 0.00 0.00 39.78 39.94 3kr5 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr5 s THR 569 N 0.00 1.20 0.11 -0.44 2.01 -1.26 -5.09 115.64 112.16 3kr5 s THR 569 Ca 0.10 -0.74 -0.34 0.00 0.31 0.00 0.00 61.69 61.02 3kr5 s THR 569 Cb 0.11 -1.02 -0.13 0.00 0.01 0.00 0.00 72.50 71.47 3kr5 s THR 569 CO -0.05 0.27 1.66 0.00 -0.69 0.00 0.00 174.62 175.81 3kr5 n ALA 570 N 2.51 1.33 -3.45 7.40 0.00 -1.24 -4.89 120.51 122.18 3kr5 n ALA 570 Ca -0.15 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 3kr5 n ALA 570 Cb 0.55 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 3kr5 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr5 s TRP 571 N 1.70 -0.18 0.10 0.00 -0.00 -1.26 -1.29 118.94 118.00 3kr5 s TRP 571 Ca 0.82 0.47 0.06 0.00 -0.00 0.00 0.00 56.10 57.45 3kr5 s TRP 571 Cb -0.67 -0.02 -0.03 0.00 -0.00 0.00 0.00 33.47 32.75 3kr5 s TRP 571 CO 0.41 -0.14 -0.17 0.00 -0.00 0.00 0.00 176.95 177.05 3kr5 s ALA 572 N 0.74 1.49 -0.09 5.86 0.00 -0.51 -0.78 121.76 128.46 3kr5 s ALA 572 Ca -0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3kr5 s ALA 572 Cb -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3kr5 s ALA 572 CO -0.04 0.23 -0.04 -1.58 0.00 0.00 0.00 175.76 174.33 3kr5 s HIS 573 N -1.43 1.07 -0.34 0.00 2.46 0.32 -1.03 115.29 116.34 3kr5 s HIS 573 Ca 0.04 -0.44 -0.09 0.00 0.47 0.00 0.00 55.06 55.03 3kr5 s HIS 573 Cb -0.09 -1.00 0.02 0.00 -0.13 0.00 0.00 32.58 31.38 3kr5 s HIS 573 CO 0.03 -0.40 0.16 0.42 -2.47 0.00 0.00 174.74 172.48 3kr5 s ILE 574 N 1.75 4.41 -0.52 0.89 1.01 0.74 -0.55 121.20 128.92 3kr5 s ILE 574 Ca 0.03 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 3kr5 s ILE 574 Cb -0.13 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.02 3kr5 s ILE 574 CO -0.06 -0.09 0.82 -0.62 0.00 0.00 0.00 174.94 174.99 3kr5 s ASP 575 N 1.55 6.31 -0.23 3.58 -1.08 0.12 -1.09 116.67 125.83 3kr5 s ASP 575 Ca 0.02 -0.51 0.14 0.00 -0.52 0.00 0.00 52.55 51.69 3kr5 s ASP 575 Cb -0.18 -2.38 0.72 0.00 -1.46 0.00 0.00 42.92 39.61 3kr5 s ASP 575 CO 0.05 -1.08 1.65 2.30 0.52 0.00 0.00 175.17 178.61 3kr5 n ILE 576 N 6.00 2.63 -0.35 4.11 -5.35 0.26 -2.01 119.36 124.65 3kr5 n ILE 576 Ca -0.01 -1.61 0.03 0.00 -0.27 0.00 0.00 62.75 60.88 3kr5 n ILE 576 Cb 0.47 -0.28 0.19 0.00 -1.74 0.00 0.00 39.64 38.28 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 3.10 1.43 0.00 -1.28 0.00 -1.83 -0.70 119.26 119.98 3kr5 h ALA 577 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kr5 h ALA 577 Cb 1.84 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3kr5 h ALA 577 CO 0.43 0.43 -0.37 0.78 0.00 0.00 0.00 179.25 180.52 3kr5 h GLY 578 N 1.15 0.00 0.00 0.00 0.00 -1.81 -3.38 103.07 99.04 3kr5 h GLY 578 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3kr5 h GLY 578 CO -0.16 0.00 -1.57 1.55 0.00 0.00 0.00 176.54 176.36 3kr5 n VAL 579 N -3.19 0.09 -0.12 4.60 3.14 -1.01 -4.12 118.33 117.71 3kr5 n VAL 579 Ca 0.03 -0.30 -0.09 0.00 -2.96 0.00 0.00 64.34 61.01 3kr5 n VAL 579 Cb 0.68 0.12 -0.01 0.00 -1.06 0.00 0.00 33.84 33.57 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3kr5 h SER 580 N 0.00 0.50 -3.23 6.55 0.87 -1.31 -3.42 113.55 113.51 3kr5 h SER 580 Ca -0.03 -0.17 -0.60 0.00 -1.23 0.00 0.00 61.79 59.76 3kr5 h SER 580 Cb 0.68 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 3kr5 h SER 580 CO 0.00 0.53 -0.33 0.86 -0.53 0.00 0.00 176.83 177.36 3kr5 s TRP 581 N -5.55 3.49 -0.74 2.24 -0.11 -1.26 -1.11 118.94 115.90 3kr5 s TRP 581 Ca -0.13 0.61 -0.23 0.00 1.22 0.00 0.00 56.10 57.57 3kr5 s TRP 581 Cb 0.10 -2.30 0.07 0.00 -1.50 0.00 0.00 33.47 29.83 3kr5 s TRP 581 CO 0.74 0.30 1.08 1.21 -4.62 0.00 0.00 176.95 175.67 3kr5 s ASN 582 N 0.25 6.26 0.16 5.86 3.84 0.81 -4.89 114.94 127.24 3kr5 s ASN 582 Ca 0.17 -1.07 -0.10 0.00 0.21 0.00 0.00 52.86 52.06 3kr5 s ASN 582 Cb -0.13 -2.45 0.02 0.00 -0.55 0.00 0.00 41.25 38.14 3kr5 s ASN 582 CO 0.04 -1.47 1.58 -0.26 -2.79 0.00 0.00 177.10 174.20 3kr5 h PHE 583 N 9.57 1.15 -0.02 0.43 -1.00 -1.96 0.69 116.94 125.80 3kr5 h PHE 583 Ca -0.19 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.34 3kr5 h PHE 583 Cb 1.06 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 3kr5 h PHE 583 CO 1.05 1.08 0.01 0.87 -1.61 0.00 0.00 178.31 179.71 3kr5 h LYS 584 N 0.89 0.03 -0.00 1.51 1.57 -1.94 -2.78 116.57 115.84 3kr5 h LYS 584 Ca 0.13 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kr5 h LYS 584 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3kr5 h LYS 584 CO 0.05 0.09 -0.04 0.00 -0.57 0.00 0.00 179.45 178.99 3kr5 n ALA 585 N -2.13 2.66 -3.72 3.86 0.00 -1.17 -4.93 120.51 115.07 3kr5 n ALA 585 Ca -0.07 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 3kr5 n ALA 585 Cb 0.06 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.15 3kr5 n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kr5 n ARG 586 N -0.93 -5.96 -3.64 0.00 1.74 0.19 -4.99 116.66 103.07 3kr5 n ARG 586 Ca 0.18 0.68 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 3kr5 n ARG 586 Cb 0.22 -5.52 -0.04 0.00 -1.02 0.00 0.00 32.46 26.10 3kr5 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr5 s LYS 587 N -6.20 1.13 0.85 5.56 -2.85 -0.94 -5.03 119.74 112.27 3kr5 s LYS 587 Ca 0.36 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 54.49 3kr5 s LYS 587 Cb -0.17 0.48 0.11 0.00 -2.06 0.00 0.00 37.83 36.19 3kr5 s LYS 587 CO 0.79 -0.45 1.10 -2.14 0.10 0.00 0.00 175.35 174.74 3kr5 s PRO 588 N -3.81 1.57 -0.01 1.78 0.02 -1.26 -0.14 135.00 133.15 3kr5 s PRO 588 Ca 0.04 1.10 0.21 0.00 0.02 0.00 0.00 61.00 62.37 3kr5 s PRO 588 Cb 0.01 -1.82 -0.27 0.00 0.02 0.00 0.00 34.50 32.44 3kr5 s PRO 588 CO -0.10 -2.10 0.70 1.63 -0.33 0.00 0.00 177.00 176.80 3kr5 n LYS 589 N -3.82 0.38 -3.06 5.54 5.02 -0.27 -4.64 118.16 117.31 3kr5 n LYS 589 Ca 0.09 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3kr5 n LYS 589 Cb 0.54 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 3kr5 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 590 N 1.40 -0.30 3.73 0.72 0.00 -1.26 -4.91 105.19 104.57 3kr5 n GLY 590 Ca 0.01 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kr5 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr5 s PHE 591 N -3.14 3.00 0.00 1.61 5.36 -1.26 -3.26 117.98 120.30 3kr5 s PHE 591 Ca 0.33 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3kr5 s PHE 591 Cb -0.15 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3kr5 s PHE 591 CO 0.41 -3.30 0.00 0.41 -1.46 0.00 0.00 175.22 171.27 3kr5 n GLY 592 N 3.17 2.51 0.12 13.12 0.00 -1.26 -4.65 105.19 118.19 3kr5 n GLY 592 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3kr5 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr5 h VAL 593 N 0.00 0.88 -0.14 1.61 2.07 -1.75 0.25 116.25 119.17 3kr5 h VAL 593 Ca 0.00 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kr5 h VAL 593 Cb 0.00 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3kr5 h VAL 593 CO 0.00 0.03 -0.05 0.03 0.02 0.00 0.00 177.57 177.60 3kr5 h ARG 594 N -0.26 0.27 -0.65 1.57 3.08 -1.90 -1.05 114.38 115.44 3kr5 h ARG 594 Ca -0.02 -0.11 0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kr5 h ARG 594 Cb 0.20 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.13 3kr5 h ARG 594 CO 0.03 0.59 -0.40 1.25 -1.07 0.00 0.00 179.97 180.37 3kr5 h LEU 595 N -0.05 -1.41 -0.78 3.04 5.85 -1.81 0.50 115.31 120.65 3kr5 h LEU 595 Ca 0.03 0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 3kr5 h LEU 595 Cb 0.50 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3kr5 h LEU 595 CO 0.02 -0.32 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.50 3kr5 h LEU 596 N -0.17 0.67 -0.22 2.25 3.38 -0.33 -0.24 115.31 120.64 3kr5 h LEU 596 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kr5 h LEU 596 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kr5 h LEU 596 CO -0.74 0.89 -0.03 0.74 0.09 0.00 0.00 178.44 179.40 3kr5 h THR 597 N 0.58 1.27 -0.83 0.22 2.02 -0.40 -1.02 112.91 114.75 3kr5 h THR 597 Ca 0.08 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.36 3kr5 h THR 597 Cb 0.71 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 3kr5 h THR 597 CO 0.05 0.30 0.51 -0.33 0.37 0.00 0.00 175.52 176.42 3kr5 h GLU 598 N 0.16 0.89 -0.04 6.66 4.39 0.15 0.21 114.58 127.00 3kr5 h GLU 598 Ca 0.06 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3kr5 h GLU 598 Cb 0.46 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3kr5 h GLU 598 CO 0.02 0.59 -0.02 0.35 -1.16 0.00 0.00 179.01 178.79 3kr5 h PHE 599 N 0.92 -0.04 -0.21 4.33 3.57 -0.68 0.12 116.94 124.94 3kr5 h PHE 599 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3kr5 h PHE 599 Cb 0.19 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3kr5 h PHE 599 CO -0.04 -0.03 0.13 0.28 -2.23 0.00 0.00 178.31 176.43 3kr5 h VAL 600 N -0.01 1.07 -0.32 1.41 2.07 -0.80 -2.21 116.25 117.46 3kr5 h VAL 600 Ca 0.02 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 3kr5 h VAL 600 Cb 0.05 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kr5 h VAL 600 CO -0.05 0.07 -0.34 -0.07 0.02 0.00 0.00 177.57 177.20 3kr5 h LEU 601 N 0.27 0.74 0.00 2.57 4.07 -0.26 -3.25 115.31 119.45 3kr5 h LEU 601 Ca 0.08 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3kr5 h LEU 601 Cb -0.01 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3kr5 h LEU 601 CO -0.02 1.01 -0.80 0.78 -1.08 0.00 0.00 178.44 178.33 3kr5 h ASN 602 N 0.59 0.00 0.00 -0.43 4.21 -0.79 -3.50 115.58 115.66 3kr5 h ASN 602 Ca 0.06 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.44 3kr5 h ASN 602 Cb 0.86 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 3kr5 h ASN 602 CO 0.07 0.06 0.00 -0.90 -1.29 0.00 0.00 177.43 175.38