#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk5 h PRO 90 N 0.00 0.58 0.05 3.23 0.11 -2.00 0.68 132.00 134.65 1bk5 h PRO 90 Ca 0.00 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.87 1bk5 h PRO 90 Cb 0.00 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.00 1bk5 h PRO 90 CO 0.00 0.38 -0.84 1.96 -0.21 0.00 0.00 178.00 179.29 1bk5 h GLN 91 N 0.60 0.48 -0.50 1.05 4.20 -2.06 -2.96 115.11 115.92 1bk5 h GLN 91 Ca 0.35 -0.58 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1bk5 h GLN 91 Cb 0.56 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1bk5 h GLN 91 CO -0.13 1.22 0.09 0.52 -0.67 0.00 0.00 178.83 179.87 1bk5 h MET 92 N 0.00 0.82 -1.00 1.46 2.86 -1.78 -1.51 114.93 115.79 1bk5 h MET 92 Ca -0.12 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1bk5 h MET 92 Cb 1.56 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 33.05 1bk5 h MET 92 CO 0.16 0.81 0.64 1.15 1.06 0.00 0.00 176.91 180.73 1bk5 h THR 93 N 0.70 1.03 0.09 2.22 2.02 0.26 0.18 112.91 119.41 1bk5 h THR 93 Ca 0.15 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1bk5 h THR 93 Cb 0.38 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1bk5 h THR 93 CO 0.01 0.20 -0.04 1.56 0.37 0.00 0.00 175.52 177.61 1bk5 h GLN 94 N 1.10 -0.12 -0.98 6.66 4.20 -1.25 -2.03 115.11 122.70 1bk5 h GLN 94 Ca 0.45 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.20 1bk5 h GLN 94 Cb 0.28 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1bk5 h GLN 94 CO -0.20 0.11 0.64 1.96 -0.67 0.00 0.00 178.83 180.67 1bk5 h GLN 95 N -0.34 1.23 -0.98 1.46 4.20 -0.62 -2.07 115.11 117.98 1bk5 h GLN 95 Ca -0.01 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1bk5 h GLN 95 Cb 0.28 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1bk5 h GLN 95 CO 0.02 0.81 0.65 1.25 -0.67 0.00 0.00 178.83 180.89 1bk5 h LEU 96 N 1.26 1.13 -0.40 1.46 5.85 -0.52 -1.29 115.31 122.81 1bk5 h LEU 96 Ca 0.38 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1bk5 h LEU 96 Cb -0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.71 1bk5 h LEU 96 CO -0.11 0.82 0.00 0.59 -0.34 0.00 0.00 178.44 179.39 1bk5 n ASN 97 N -4.39 0.59 -4.81 1.25 3.02 -0.78 -4.75 115.26 105.40 1bk5 n ASN 97 Ca 0.12 -1.65 -0.32 0.00 -0.03 0.00 0.00 54.58 52.70 1bk5 n ASN 97 Cb 0.01 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1bk5 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1bk5 s SER 98 N -1.42 5.55 0.00 6.41 0.15 -0.49 -4.95 113.70 118.96 1bk5 s SER 98 Ca 0.23 1.69 0.25 0.00 0.70 0.00 0.00 55.95 58.82 1bk5 s SER 98 Cb 0.12 -2.51 0.47 0.00 -1.71 0.00 0.00 66.02 62.39 1bk5 s SER 98 CO 0.18 -1.32 1.39 0.47 1.20 0.00 0.00 173.24 175.15 1bk5 n ASP 99 N -2.69 1.29 -4.65 5.45 8.00 -1.26 -4.70 116.55 117.99 1bk5 n ASP 99 Ca 0.08 -1.04 -0.43 0.00 0.71 0.00 0.00 54.79 54.11 1bk5 n ASP 99 Cb 0.53 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.89 1bk5 n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bk5 s ASP 100 N -2.55 7.01 0.13 -2.24 -1.08 -1.26 -4.94 116.67 111.73 1bk5 s ASP 100 Ca 0.21 1.22 -0.25 0.00 -0.52 0.00 0.00 52.55 53.21 1bk5 s ASP 100 Cb 0.19 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1bk5 s ASP 100 CO 0.56 -0.72 1.64 -0.03 0.52 0.00 0.00 175.17 177.14 1bk5 h MET 101 N 7.69 -0.35 -0.51 4.34 1.85 -1.98 0.32 114.93 126.28 1bk5 h MET 101 Ca -0.20 0.02 0.13 0.00 -0.61 0.00 0.00 59.70 59.04 1bk5 h MET 101 Cb 1.06 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 33.15 1bk5 h MET 101 CO 0.98 -0.23 0.36 0.37 -0.40 0.00 0.00 176.91 177.99 1bk5 h GLN 102 N -0.36 0.11 0.01 0.39 4.15 -2.00 -0.56 115.11 116.85 1bk5 h GLN 102 Ca 0.07 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1bk5 h GLN 102 Cb 0.47 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1bk5 h GLN 102 CO -0.25 0.07 -0.00 0.93 -1.93 0.00 0.00 178.83 177.65 1bk5 h GLU 103 N 0.11 -0.01 -0.51 1.69 5.08 -1.48 -2.48 114.58 116.98 1bk5 h GLU 103 Ca 0.24 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1bk5 h GLU 103 Cb 0.81 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1bk5 h GLU 103 CO -0.03 0.66 0.19 1.96 -1.00 0.00 0.00 179.01 180.79 1bk5 h GLN 104 N -0.71 0.36 0.15 2.33 4.20 -0.18 -1.13 115.11 120.13 1bk5 h GLN 104 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1bk5 h GLN 104 Cb 0.68 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1bk5 h GLN 104 CO 0.00 0.24 -0.10 1.25 -0.67 0.00 0.00 178.83 179.54 1bk5 h LEU 105 N 0.37 -0.26 -0.68 1.46 5.85 -1.21 0.22 115.31 121.05 1bk5 h LEU 105 Ca 0.24 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1bk5 h LEU 105 Cb 0.26 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1bk5 h LEU 105 CO -0.24 -0.17 0.38 -1.28 -0.34 0.00 0.00 178.44 176.79 1bk5 h SER 106 N -0.26 0.57 0.05 1.25 0.87 -1.08 -0.07 113.55 114.88 1bk5 h SER 106 Ca -0.01 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1bk5 h SER 106 Cb 0.22 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1bk5 h SER 106 CO 0.01 0.37 -0.50 0.00 -0.53 0.00 0.00 176.83 176.18 1bk5 h ALA 107 N 1.35 0.79 -0.35 6.23 0.00 -1.02 -2.10 119.26 124.15 1bk5 h ALA 107 Ca 0.30 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1bk5 h ALA 107 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1bk5 h ALA 107 CO -0.18 0.67 -0.12 1.15 0.00 0.00 0.00 179.25 180.78 1bk5 h THR 108 N 0.40 1.24 -0.17 0.00 2.02 -0.30 -0.98 112.91 115.13 1bk5 h THR 108 Ca 0.02 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1bk5 h THR 108 Cb 1.01 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1bk5 h THR 108 CO 0.09 0.36 0.08 0.58 0.37 0.00 0.00 175.52 177.00 1bk5 h VAL 109 N 0.57 1.14 -0.64 3.16 2.07 -0.75 -0.65 116.25 121.13 1bk5 h VAL 109 Ca 0.10 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1bk5 h VAL 109 Cb 0.54 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1bk5 h VAL 109 CO 0.03 0.13 0.43 0.11 0.02 0.00 0.00 177.57 178.29 1bk5 h LYS 110 N 0.14 0.84 -0.82 1.57 1.57 -0.98 -0.14 116.57 118.76 1bk5 h LYS 110 Ca 0.06 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1bk5 h LYS 110 Cb 0.13 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1bk5 h LYS 110 CO -0.01 0.56 0.38 0.74 -0.57 0.00 0.00 179.45 180.55 1bk5 h PHE 111 N 0.87 1.20 -0.18 -1.35 0.04 -1.03 -1.96 116.94 114.52 1bk5 h PHE 111 Ca 0.24 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.96 1bk5 h PHE 111 Cb -0.09 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.66 1bk5 h PHE 111 CO -0.03 0.88 0.04 -0.09 -0.60 0.00 0.00 178.31 178.51 1bk5 h ARG 112 N 1.17 0.11 -0.50 1.51 2.43 -0.39 -1.42 114.38 117.30 1bk5 h ARG 112 Ca 0.28 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1bk5 h ARG 112 Cb 0.14 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1bk5 h ARG 112 CO -0.03 0.07 0.32 1.96 -1.51 0.00 0.00 179.97 180.78 1bk5 h GLN 113 N 0.11 0.62 0.00 0.20 4.20 -0.72 -1.49 115.11 118.04 1bk5 h GLN 113 Ca 0.08 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1bk5 h GLN 113 Cb 0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1bk5 h GLN 113 CO -0.10 0.41 -0.51 -0.84 -0.67 0.00 0.00 178.83 177.12 1bk5 h ILE 114 N 0.64 1.22 -0.00 2.54 3.07 -1.22 -2.27 117.51 121.48 1bk5 h ILE 114 Ca 0.19 -1.85 0.00 0.00 1.55 0.00 0.00 64.86 64.75 1bk5 h ILE 114 Cb -0.04 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1bk5 h ILE 114 CO -0.06 0.50 -0.02 0.18 -1.05 0.00 0.00 178.15 177.71 1bk5 n LEU 115 N -3.71 0.17 -0.29 0.16 4.77 -0.55 -3.27 117.00 114.29 1bk5 n LEU 115 Ca -0.01 0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1bk5 n LEU 115 Cb 0.57 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1bk5 n LEU 115 CO 0.40 0.03 0.16 -1.20 -1.33 0.00 0.00 177.39 175.45 1bk5 n SER 116 N -1.01 1.56 -4.64 -1.43 7.64 -0.60 -4.83 113.62 110.32 1bk5 n SER 116 Ca 0.19 -1.28 -0.55 0.00 1.01 0.00 0.00 58.87 58.24 1bk5 n SER 116 Cb 0.19 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 64.01 1bk5 n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1bk5 n ARG 117 N -0.59 1.06 0.03 1.43 5.12 -1.20 -4.86 116.66 117.65 1bk5 n ARG 117 Ca 0.07 0.39 -0.12 0.00 -1.93 0.00 0.00 57.85 56.26 1bk5 n ARG 117 Cb 0.39 -2.04 -0.07 0.00 -1.16 0.00 0.00 32.46 29.59 1bk5 n ARG 117 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1bk5 h GLU 118 N 5.54 0.02 0.00 5.56 5.08 -1.94 -3.31 114.58 125.53 1bk5 h GLU 118 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1bk5 h GLU 118 Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1bk5 h GLU 118 CO 0.85 0.03 0.00 0.72 -1.00 0.00 0.00 179.01 179.61 1bk5 n HIS 119 N -5.07 0.00 -3.75 4.33 8.25 -1.26 -4.68 115.22 113.04 1bk5 n HIS 119 Ca -0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 1bk5 n HIS 119 Cb 0.04 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.02 1bk5 n HIS 119 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1bk5 s ARG 120 N 0.00 1.65 0.14 -0.41 0.52 -1.26 -5.10 118.95 114.49 1bk5 s ARG 120 Ca 0.00 -2.46 -0.34 0.00 -0.52 0.00 0.00 55.73 52.41 1bk5 s ARG 120 Cb 0.00 -2.65 -0.14 0.00 0.52 0.00 0.00 34.95 32.68 1bk5 s ARG 120 CO 0.00 -1.22 1.58 -0.35 0.02 0.00 0.00 175.30 175.33 1bk5 n PRO 121 N 2.98 2.09 -0.45 3.54 -0.04 -1.25 -4.80 135.00 137.07 1bk5 n PRO 121 Ca 0.14 0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 64.27 1bk5 n PRO 121 Cb 0.36 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 1bk5 n PRO 121 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bk5 n PRO 122 N 3.52 1.03 -0.04 0.54 -0.04 -1.26 -4.64 135.00 134.11 1bk5 n PRO 122 Ca 0.17 -0.63 -0.08 0.00 -0.04 0.00 0.00 63.50 62.92 1bk5 n PRO 122 Cb 0.28 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 1bk5 n PRO 122 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1bk5 h ILE 123 N 2.85 0.55 -0.84 0.52 2.04 -1.91 -1.31 117.51 119.42 1bk5 h ILE 123 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1bk5 h ILE 123 Cb 0.50 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1bk5 h ILE 123 CO 0.64 0.00 0.47 0.44 0.00 0.00 0.00 178.15 179.70 1bk5 h ASP 124 N -0.16 1.04 -0.79 1.72 3.32 -1.99 0.10 116.42 119.67 1bk5 h ASP 124 Ca 0.13 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1bk5 h ASP 124 Cb 0.34 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1bk5 h ASP 124 CO -0.31 0.83 0.38 0.58 -1.72 0.00 0.00 179.24 179.00 1bk5 h VAL 125 N 1.16 1.25 -0.51 -1.35 2.07 -1.85 0.22 116.25 117.25 1bk5 h VAL 125 Ca 0.30 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1bk5 h VAL 125 Cb 0.01 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1bk5 h VAL 125 CO -0.05 0.30 -0.07 0.58 0.02 0.00 0.00 177.57 178.35 1bk5 h VAL 126 N 1.13 1.26 -0.40 2.57 2.07 -0.36 -1.75 116.25 120.78 1bk5 h VAL 126 Ca 0.27 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.50 1bk5 h VAL 126 Cb 0.11 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1bk5 h VAL 126 CO -0.03 0.41 -0.25 0.40 0.02 0.00 0.00 177.57 178.12 1bk5 h ILE 127 N 0.82 1.28 -0.46 4.57 2.04 -0.20 -2.58 117.51 122.97 1bk5 h ILE 127 Ca 0.14 -1.40 0.06 0.00 1.00 0.00 0.00 64.86 64.66 1bk5 h ILE 127 Cb 0.58 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1bk5 h ILE 127 CO 0.04 0.47 0.31 1.56 0.00 0.00 0.00 178.15 180.53 1bk5 h GLN 128 N 0.69 0.37 0.00 2.37 1.08 -0.34 0.14 115.11 119.43 1bk5 h GLN 128 Ca 0.08 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1bk5 h GLN 128 Cb 0.82 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1bk5 h GLN 128 CO 0.07 0.24 -0.02 0.00 -0.95 0.00 0.00 178.83 178.17 1bk5 h ALA 129 N 1.75 1.22 -0.33 3.87 0.00 -0.90 -3.46 119.26 121.41 1bk5 h ALA 129 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1bk5 h ALA 129 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bk5 h ALA 129 CO -0.05 0.02 -0.08 0.41 0.00 0.00 0.00 179.25 179.56 1bk5 n GLY 130 N -1.01 0.47 0.52 0.00 0.00 0.49 -4.95 105.19 100.70 1bk5 n GLY 130 Ca -0.03 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1bk5 n GLY 130 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bk5 n VAL 131 N -3.38 0.00 0.11 1.61 0.24 -1.26 -4.49 118.33 111.16 1bk5 n VAL 131 Ca -0.04 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1bk5 n VAL 131 Cb 0.30 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 1bk5 n VAL 131 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1bk5 h VAL 132 N 2.54 0.55 -0.77 3.34 2.07 -1.87 -1.42 116.25 120.69 1bk5 h VAL 132 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1bk5 h VAL 132 Cb 0.68 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1bk5 h VAL 132 CO 0.00 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.65 1bk5 h PRO 133 N -0.39 0.48 -0.45 1.57 0.13 -1.91 -0.78 132.00 130.65 1bk5 h PRO 133 Ca 0.02 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1bk5 h PRO 133 Cb 0.40 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 1bk5 h PRO 133 CO -0.11 0.32 0.12 -0.09 -0.23 0.00 0.00 178.00 178.01 1bk5 h ARG 134 N 0.49 0.72 -0.65 0.86 9.65 -1.63 -1.11 114.38 122.71 1bk5 h ARG 134 Ca 0.38 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 59.03 1bk5 h ARG 134 Cb 0.76 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1bk5 h ARG 134 CO -0.13 0.71 0.19 -0.07 2.80 0.00 0.00 179.97 183.46 1bk5 h LEU 135 N 0.60 0.94 -1.21 3.80 3.38 -0.21 -1.66 115.31 120.94 1bk5 h LEU 135 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1bk5 h LEU 135 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1bk5 h LEU 135 CO -0.00 0.89 0.37 0.58 0.09 0.00 0.00 178.44 180.36 1bk5 h VAL 136 N 0.96 1.20 -0.98 1.22 2.07 -0.77 -0.54 116.25 119.41 1bk5 h VAL 136 Ca 0.21 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1bk5 h VAL 136 Cb 0.30 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1bk5 h VAL 136 CO -0.01 0.22 0.62 -0.33 0.02 0.00 0.00 177.57 178.10 1bk5 h GLU 137 N 0.92 1.08 0.00 1.57 5.08 -0.27 -1.52 114.58 121.45 1bk5 h GLU 137 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1bk5 h GLU 137 Cb 0.02 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1bk5 h GLU 137 CO -0.04 0.72 0.00 1.19 -1.00 0.00 0.00 179.01 179.88 1bk5 n PHE 138 N -4.54 0.16 1.27 4.33 3.72 -0.22 -2.15 117.46 120.02 1bk5 n PHE 138 Ca 0.15 0.07 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 1bk5 n PHE 138 Cb 0.20 -0.61 0.33 0.00 -0.94 0.00 0.00 39.48 38.47 1bk5 n PHE 138 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1bk5 n MET 139 N -1.65 1.45 -0.84 -1.08 2.81 -0.57 -3.67 117.12 113.58 1bk5 n MET 139 Ca 0.02 -0.98 -0.32 0.00 -1.81 0.00 0.00 57.70 54.62 1bk5 n MET 139 Cb 0.14 -1.48 0.15 0.00 -0.71 0.00 0.00 33.22 31.32 1bk5 n MET 139 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1bk5 s ARG 140 N -2.22 1.27 0.40 0.03 0.52 -0.91 -4.92 118.95 113.11 1bk5 s ARG 140 Ca 0.29 1.56 0.14 0.00 -0.52 0.00 0.00 55.73 57.21 1bk5 s ARG 140 Cb 0.20 -1.75 0.98 0.00 0.52 0.00 0.00 34.95 34.90 1bk5 s ARG 140 CO 0.42 -2.45 1.87 1.49 0.02 0.00 0.00 175.30 176.64 1bk5 h GLU 141 N -1.59 0.50 0.00 3.54 4.22 -1.93 -2.62 114.58 116.70 1bk5 h GLU 141 Ca -0.44 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1bk5 h GLU 141 Cb 1.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1bk5 h GLU 141 CO 0.43 0.33 -0.22 0.27 -2.18 0.00 0.00 179.01 177.64 1bk5 n ASN 142 N -4.54 0.34 -4.77 1.04 0.23 -1.26 -4.93 115.26 101.38 1bk5 n ASN 142 Ca 0.18 0.24 -0.37 0.00 -0.53 0.00 0.00 54.58 54.11 1bk5 n ASN 142 Cb 0.60 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1bk5 n ASN 142 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1bk5 s GLN 143 N -3.03 3.56 0.35 -3.83 -1.52 -0.99 -4.96 119.66 109.24 1bk5 s GLN 143 Ca 0.12 1.78 -0.29 0.00 -1.95 0.00 0.00 55.36 55.03 1bk5 s GLN 143 Cb 0.17 -2.27 -0.11 0.00 -0.22 0.00 0.00 33.01 30.58 1bk5 s GLN 143 CO 0.61 -0.72 1.50 -2.14 -0.25 0.00 0.00 175.29 174.30 1bk5 s PRO 144 N -2.89 4.12 0.47 2.91 0.02 -1.26 -4.77 135.00 133.60 1bk5 s PRO 144 Ca 0.67 2.56 0.19 0.00 0.02 0.00 0.00 61.00 64.44 1bk5 s PRO 144 Cb -0.29 -2.99 1.18 0.00 0.02 0.00 0.00 34.50 32.43 1bk5 s PRO 144 CO 0.34 -0.54 1.97 1.49 -0.33 0.00 0.00 177.00 179.93 1bk5 h GLU 145 N 3.45 0.24 -0.51 5.54 4.81 -1.96 -0.58 114.58 125.56 1bk5 h GLU 145 Ca -0.50 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 1bk5 h GLU 145 Cb 1.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1bk5 h GLU 145 CO 0.68 0.16 -0.06 1.98 -0.73 0.00 0.00 179.01 181.03 1bk5 h MET 146 N 0.24 0.91 -0.43 1.92 4.05 -1.99 0.50 114.93 120.13 1bk5 h MET 146 Ca 0.29 -0.29 -0.14 0.00 -0.28 0.00 0.00 59.70 59.28 1bk5 h MET 146 Cb 0.79 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1bk5 h MET 146 CO -0.06 0.94 -0.27 1.25 0.23 0.00 0.00 176.91 179.00 1bk5 h LEU 147 N 0.82 0.94 -0.44 3.39 5.85 -1.50 -1.70 115.31 122.67 1bk5 h LEU 147 Ca 0.14 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1bk5 h LEU 147 Cb 0.57 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1bk5 h LEU 147 CO 0.03 1.15 0.26 1.56 -0.34 0.00 0.00 178.44 181.11 1bk5 h GLN 148 N 0.77 0.52 0.51 1.25 4.20 -0.68 -1.02 115.11 120.66 1bk5 h GLN 148 Ca 0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1bk5 h GLN 148 Cb 0.83 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1bk5 h GLN 148 CO 0.07 0.34 -0.24 1.25 -0.67 0.00 0.00 178.83 179.58 1bk5 h LEU 149 N 0.53 -0.58 -1.06 1.46 5.85 -0.73 -0.28 115.31 120.51 1bk5 h LEU 149 Ca 0.17 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1bk5 h LEU 149 Cb -0.00 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1bk5 h LEU 149 CO -0.07 -0.33 0.63 -0.33 -0.34 0.00 0.00 178.44 178.00 1bk5 h GLU 150 N -0.81 1.10 -0.29 1.25 4.39 -1.28 0.22 114.58 119.17 1bk5 h GLU 150 Ca -0.07 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.44 1bk5 h GLU 150 Cb 0.58 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1bk5 h GLU 150 CO 0.11 0.73 -0.31 0.00 -1.16 0.00 0.00 179.01 178.38 1bk5 h ALA 151 N 1.47 0.43 -0.49 3.43 0.00 -1.11 -1.17 119.26 121.82 1bk5 h ALA 151 Ca 0.41 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1bk5 h ALA 151 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bk5 h ALA 151 CO -0.16 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.66 1bk5 h ALA 152 N 0.70 0.64 0.03 0.00 0.00 -0.54 -1.03 119.26 119.06 1bk5 h ALA 152 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1bk5 h ALA 152 Cb 0.89 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bk5 h ALA 152 CO 0.08 0.35 -0.06 2.35 0.00 0.00 0.00 179.25 181.97 1bk5 h TRP 153 N 0.67 -0.14 -0.47 0.00 2.91 -0.54 0.33 115.95 118.71 1bk5 h TRP 153 Ca 0.15 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.23 1bk5 h TRP 153 Cb 0.35 0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 1bk5 h TRP 153 CO 0.02 -0.09 0.19 0.00 -1.03 0.00 0.00 178.44 177.53 1bk5 h ALA 154 N 0.85 0.58 -0.01 2.65 0.00 -1.01 -1.86 119.26 120.46 1bk5 h ALA 154 Ca 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1bk5 h ALA 154 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bk5 h ALA 154 CO -0.04 -0.19 -0.48 -0.07 0.00 0.00 0.00 179.25 178.47 1bk5 h LEU 155 N 0.38 0.03 -0.80 0.00 3.38 -0.81 -2.76 115.31 114.73 1bk5 h LEU 155 Ca 0.22 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1bk5 h LEU 155 Cb 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1bk5 h LEU 155 CO -0.20 0.51 -0.39 0.74 0.09 0.00 0.00 178.44 179.19 1bk5 h THR 156 N 0.02 1.30 -0.23 0.22 2.02 0.22 0.26 112.91 116.72 1bk5 h THR 156 Ca -0.00 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 1bk5 h THR 156 Cb 0.86 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1bk5 h THR 156 CO 0.06 0.47 -0.25 0.78 0.37 0.00 0.00 175.52 176.95 1bk5 h ASN 157 N 0.37 0.44 -0.06 4.18 2.35 -1.08 -0.62 115.58 121.15 1bk5 h ASN 157 Ca 0.04 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.52 1bk5 h ASN 157 Cb 0.84 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.10 1bk5 h ASN 157 CO 0.07 0.69 -0.42 0.40 -1.65 0.00 0.00 177.43 176.52 1bk5 h ILE 158 N 0.39 1.42 0.00 2.81 2.04 -1.19 -3.27 117.51 119.70 1bk5 h ILE 158 Ca 0.06 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 1bk5 h ILE 158 Cb 0.65 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1bk5 h ILE 158 CO 0.05 0.53 -0.12 0.00 0.00 0.00 0.00 178.15 178.61 1bk5 h ALA 159 N 0.41 1.47 -0.38 1.87 0.00 -0.25 -1.71 119.26 120.66 1bk5 h ALA 159 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bk5 h ALA 159 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1bk5 h ALA 159 CO 0.09 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1bk5 n SER 160 N -3.91 2.64 -1.24 0.00 3.41 -0.26 -4.40 113.62 109.87 1bk5 n SER 160 Ca -0.02 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1bk5 n SER 160 Cb 0.21 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1bk5 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bk5 n GLY 161 N 0.90 1.37 3.68 5.00 0.00 -0.64 -5.05 105.19 110.44 1bk5 n GLY 161 Ca 0.14 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1bk5 n GLY 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bk5 s THR 162 N 1.60 2.36 0.23 2.61 -4.23 -1.26 -4.69 115.64 112.26 1bk5 s THR 162 Ca 0.00 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1bk5 s THR 162 Cb 0.00 -2.54 0.19 0.00 1.34 0.00 0.00 72.50 71.49 1bk5 s THR 162 CO 0.00 -0.15 1.82 -1.28 -0.54 0.00 0.00 174.62 174.47 1bk5 h SER 163 N -1.81 0.69 -0.48 3.99 0.87 -1.96 0.94 113.55 115.79 1bk5 h SER 163 Ca -0.52 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1bk5 h SER 163 Cb 1.30 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1bk5 h SER 163 CO 0.54 0.43 0.29 0.00 -0.53 0.00 0.00 176.83 177.57 1bk5 h ALA 164 N 1.40 1.57 0.04 6.23 0.00 -1.99 -0.14 119.26 126.38 1bk5 h ALA 164 Ca 0.35 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1bk5 h ALA 164 Cb 0.23 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bk5 h ALA 164 CO -0.20 0.37 -1.11 1.96 0.00 0.00 0.00 179.25 180.27 1bk5 h GLN 165 N 0.69 0.65 -0.96 0.00 4.20 -1.47 -3.01 115.11 115.22 1bk5 h GLN 165 Ca 0.18 -0.75 0.03 0.00 0.06 0.00 0.00 58.65 58.17 1bk5 h GLN 165 Cb -0.01 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1bk5 h GLN 165 CO -0.03 1.33 0.63 1.15 -0.67 0.00 0.00 178.83 181.23 1bk5 h THR 166 N 0.34 1.18 -0.97 -0.54 2.02 -0.37 -1.96 112.91 112.60 1bk5 h THR 166 Ca -0.15 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1bk5 h THR 166 Cb 1.77 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1bk5 h THR 166 CO 0.21 0.22 0.64 0.50 0.37 0.00 0.00 175.52 177.47 1bk5 h LYS 167 N 1.22 1.23 -0.79 6.66 3.64 -0.97 -0.57 116.57 126.98 1bk5 h LYS 167 Ca 0.38 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1bk5 h LYS 167 Cb -0.01 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.49 1bk5 h LYS 167 CO -0.11 0.81 0.49 0.28 -2.27 0.00 0.00 179.45 178.66 1bk5 h VAL 168 N 1.27 1.21 -0.03 2.00 2.07 -1.22 0.19 116.25 121.74 1bk5 h VAL 168 Ca 0.38 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1bk5 h VAL 168 Cb -0.06 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1bk5 h VAL 168 CO -0.10 0.21 -0.50 0.58 0.02 0.00 0.00 177.57 177.78 1bk5 h VAL 169 N 1.08 1.43 -0.85 2.57 2.07 -1.26 -2.79 116.25 118.50 1bk5 h VAL 169 Ca 0.28 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1bk5 h VAL 169 Cb -0.08 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1bk5 h VAL 169 CO -0.06 0.57 0.50 0.58 0.02 0.00 0.00 177.57 179.19 1bk5 h VAL 170 N -0.13 1.24 0.00 2.57 2.07 -0.84 -1.60 116.25 119.57 1bk5 h VAL 170 Ca -0.06 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1bk5 h VAL 170 Cb 1.20 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1bk5 h VAL 170 CO 0.10 0.25 0.00 0.44 0.02 0.00 0.00 177.57 178.38 1bk5 h ASP 171 N 1.17 0.00 -0.30 0.57 3.32 -0.67 -2.53 116.42 117.99 1bk5 h ASP 171 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1bk5 h ASP 171 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1bk5 h ASP 171 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1bk5 n ALA 172 N -1.85 2.46 -1.71 3.45 0.00 -0.61 -4.91 120.51 117.35 1bk5 n ALA 172 Ca 0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1bk5 n ALA 172 Cb 0.24 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1bk5 n ALA 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bk5 n ASP 173 N 0.38 -3.37 -0.09 0.00 9.92 -0.95 -4.90 116.55 117.54 1bk5 n ASP 173 Ca 0.11 0.09 -0.14 0.00 -0.53 0.00 0.00 54.79 54.31 1bk5 n ASP 173 Cb 0.26 -2.15 -0.04 0.00 -0.64 0.00 0.00 41.12 38.56 1bk5 n ASP 173 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bk5 h ALA 174 N 0.19 0.49 -0.59 2.24 0.00 -1.72 -3.37 119.26 116.51 1bk5 h ALA 174 Ca -0.17 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.31 1bk5 h ALA 174 Cb 0.84 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1bk5 h ALA 174 CO 0.23 0.68 -0.53 0.28 0.00 0.00 0.00 179.25 179.90 1bk5 h VAL 175 N 0.70 0.02 -0.21 0.00 2.07 -1.85 -0.43 116.25 116.55 1bk5 h VAL 175 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1bk5 h VAL 175 Cb 1.11 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1bk5 h VAL 175 CO 0.11 0.00 0.22 1.55 0.02 0.00 0.00 177.57 179.48 1bk5 h PRO 176 N -0.27 0.00 0.07 1.57 0.13 -1.96 -0.93 132.00 130.62 1bk5 h PRO 176 Ca 0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.99 1bk5 h PRO 176 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1bk5 h PRO 176 CO -0.70 0.00 -1.26 -0.07 -0.23 0.00 0.00 178.00 175.74 1bk5 h LEU 177 N 0.00 0.23 -0.87 1.56 3.38 -1.32 -2.29 115.31 116.00 1bk5 h LEU 177 Ca 0.10 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1bk5 h LEU 177 Cb 0.54 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1bk5 h LEU 177 CO -0.00 1.22 0.00 -0.26 0.09 0.00 0.00 178.44 179.49 1bk5 h PHE 178 N 0.04 0.89 -0.39 1.13 0.04 -0.16 -1.46 116.94 117.04 1bk5 h PHE 178 Ca -0.13 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.40 1bk5 h PHE 178 Cb 1.91 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.81 1bk5 h PHE 178 CO 0.04 0.82 -0.19 0.82 -0.60 0.00 0.00 178.31 179.20 1bk5 h ILE 179 N 0.78 1.28 0.00 -0.55 2.04 -1.18 -1.95 117.51 117.93 1bk5 h ILE 179 Ca 0.15 -1.32 -0.11 0.00 1.00 0.00 0.00 64.86 64.59 1bk5 h ILE 179 Cb 0.46 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1bk5 h ILE 179 CO 0.02 0.44 -0.50 0.06 0.00 0.00 0.00 178.15 178.17 1bk5 h GLN 180 N 0.62 0.00 0.00 2.37 3.07 -1.25 -2.37 115.11 117.55 1bk5 h GLN 180 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.75 1bk5 h GLN 180 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1bk5 h GLN 180 CO 0.06 0.50 -0.38 -0.07 0.09 0.00 0.00 178.83 179.03 1bk5 h LEU 181 N 0.00 0.00 -2.17 0.06 3.38 -1.12 -2.27 115.31 113.19 1bk5 h LEU 181 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bk5 h LEU 181 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1bk5 h LEU 181 CO 0.07 0.38 0.00 -0.07 0.09 0.00 0.00 178.44 178.91 1bk5 h LEU 182 N 0.00 0.00 0.00 1.67 3.38 -0.80 0.40 115.31 119.96 1bk5 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bk5 h LEU 182 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1bk5 h LEU 182 CO 0.05 0.00 -0.32 1.88 0.09 0.00 0.00 178.44 180.13 1bk5 h TYR 183 N 0.00 0.00 -0.02 1.13 -1.99 -1.46 -3.43 116.97 111.20 1bk5 h TYR 183 Ca 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.55 1bk5 h TYR 183 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1bk5 h TYR 183 CO 0.00 0.00 -0.79 1.79 -0.00 0.00 0.00 178.16 179.16 1bk5 h THR 184 N -0.72 1.45 -3.78 -2.88 1.35 -1.48 -3.48 112.91 103.38 1bk5 h THR 184 Ca 0.00 -2.40 -0.52 0.00 -0.55 0.00 0.00 66.41 62.94 1bk5 h THR 184 Cb 0.32 2.31 0.21 0.00 -1.73 0.00 0.00 68.15 69.26 1bk5 h THR 184 CO 0.00 0.70 -0.19 0.61 -0.25 0.00 0.00 175.52 176.39 1bk5 n GLY 185 N 0.68 -1.25 3.76 5.82 0.00 0.14 -5.02 105.19 109.32 1bk5 n GLY 185 Ca -0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1bk5 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bk5 s SER 186 N -2.32 2.87 0.24 1.61 1.04 -1.26 -4.68 113.70 111.21 1bk5 s SER 186 Ca 0.62 0.85 -0.05 0.00 0.48 0.00 0.00 55.95 57.85 1bk5 s SER 186 Cb -0.22 -1.31 0.36 0.00 0.10 0.00 0.00 66.02 64.95 1bk5 s SER 186 CO 0.63 -2.94 1.83 0.58 0.98 0.00 0.00 173.24 174.33 1bk5 h VAL 187 N -1.76 0.98 -0.39 5.02 2.07 -1.98 0.12 116.25 120.30 1bk5 h VAL 187 Ca -0.49 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1bk5 h VAL 187 Cb 1.31 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1bk5 h VAL 187 CO 0.54 0.16 0.20 -0.33 0.02 0.00 0.00 177.57 178.16 1bk5 h GLU 188 N 0.89 0.40 -0.44 1.57 5.08 -2.00 0.36 114.58 120.45 1bk5 h GLU 188 Ca 0.38 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1bk5 h GLU 188 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1bk5 h GLU 188 CO -0.20 0.27 0.02 0.28 -1.00 0.00 0.00 179.01 178.37 1bk5 h VAL 189 N 0.41 1.26 -0.76 3.13 2.07 -1.70 -2.88 116.25 117.78 1bk5 h VAL 189 Ca 0.17 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1bk5 h VAL 189 Cb 0.06 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1bk5 h VAL 189 CO -0.11 0.34 0.50 0.11 0.02 0.00 0.00 177.57 178.44 1bk5 h LYS 190 N 0.60 1.00 -0.76 1.57 1.57 -0.34 -1.11 116.57 119.10 1bk5 h LYS 190 Ca 0.13 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1bk5 h LYS 190 Cb 0.46 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1bk5 h LYS 190 CO 0.02 0.66 0.45 0.93 -0.57 0.00 0.00 179.45 180.94 1bk5 h GLU 191 N 1.03 0.79 0.09 3.15 5.08 -0.79 0.45 114.58 124.38 1bk5 h GLU 191 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bk5 h GLU 191 Cb -0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1bk5 h GLU 191 CO -0.06 0.52 -0.04 1.96 -1.00 0.00 0.00 179.01 180.39 1bk5 h GLN 192 N 0.82 -0.12 -0.89 2.33 1.08 -1.22 -2.90 115.11 114.21 1bk5 h GLN 192 Ca 0.34 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.66 1bk5 h GLN 192 Cb 0.19 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.57 1bk5 h GLN 192 CO -0.18 0.23 0.51 0.00 -0.95 0.00 0.00 178.83 178.44 1bk5 h ALA 193 N 0.37 1.31 -0.04 3.87 0.00 -0.80 -0.18 119.26 123.80 1bk5 h ALA 193 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1bk5 h ALA 193 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1bk5 h ALA 193 CO 0.02 0.08 -0.67 0.97 0.00 0.00 0.00 179.25 179.66 1bk5 h ILE 194 N 0.81 1.42 -0.25 0.00 6.09 -0.95 -1.03 117.51 123.60 1bk5 h ILE 194 Ca 0.45 -2.16 -0.19 0.00 -1.37 0.00 0.00 64.86 61.60 1bk5 h ILE 194 Cb 0.49 2.13 0.00 0.00 0.47 0.00 0.00 36.82 39.91 1bk5 h ILE 194 CO -0.29 0.63 -0.59 -0.25 -3.07 0.00 0.00 178.15 174.59 1bk5 h TRP 195 N 0.13 1.01 -0.16 2.19 -0.00 -1.18 -1.33 115.95 116.61 1bk5 h TRP 195 Ca -0.01 -0.38 -0.02 0.00 -0.00 0.00 0.00 58.89 58.48 1bk5 h TRP 195 Cb 1.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.16 1bk5 h TRP 195 CO 0.02 1.19 0.03 0.00 -0.00 0.00 0.00 178.44 179.68 1bk5 h ALA 196 N 0.73 0.21 -0.69 2.65 0.00 -0.91 -2.27 119.26 118.98 1bk5 h ALA 196 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1bk5 h ALA 196 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1bk5 h ALA 196 CO 0.13 -0.14 0.34 -0.07 0.00 0.00 0.00 179.25 179.51 1bk5 h LEU 197 N 0.05 0.87 -0.73 0.00 3.38 -1.15 -0.67 115.31 117.07 1bk5 h LEU 197 Ca 0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1bk5 h LEU 197 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1bk5 h LEU 197 CO 0.00 0.73 0.20 1.23 0.09 0.00 0.00 178.44 180.69 1bk5 h GLY 198 N 1.03 1.24 1.32 0.83 0.00 -1.13 0.14 103.07 106.50 1bk5 h GLY 198 Ca 0.24 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1bk5 h GLY 198 CO -0.03 0.71 -0.32 3.43 0.00 0.00 0.00 176.54 180.32 1bk5 h ASN 199 N 1.09 0.80 -0.11 0.19 2.35 -0.89 0.51 115.58 119.52 1bk5 h ASN 199 Ca 0.23 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1bk5 h ASN 199 Cb 0.35 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1bk5 h ASN 199 CO -0.00 1.05 -0.02 0.58 -1.65 0.00 0.00 177.43 177.39 1bk5 h VAL 200 N 0.65 1.28 -0.47 2.81 2.07 -0.84 -2.73 116.25 119.01 1bk5 h VAL 200 Ca 0.07 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1bk5 h VAL 200 Cb 0.85 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1bk5 h VAL 200 CO 0.07 0.26 0.24 0.00 0.02 0.00 0.00 177.57 178.16 1bk5 h ALA 201 N 0.70 1.54 -0.00 1.67 0.00 -0.61 -2.17 119.26 120.39 1bk5 h ALA 201 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bk5 h ALA 201 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bk5 h ALA 201 CO 0.01 0.38 -0.06 0.41 0.00 0.00 0.00 179.25 179.98 1bk5 n GLY 202 N -1.27 -0.90 0.15 0.00 0.00 0.16 -3.80 105.19 99.53 1bk5 n GLY 202 Ca 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1bk5 n GLY 202 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bk5 h ASP 203 N 0.56 0.42 -5.59 1.61 3.58 -1.07 -3.48 116.42 112.45 1bk5 h ASP 203 Ca 0.00 -0.26 0.26 0.00 0.42 0.00 0.00 57.03 57.45 1bk5 h ASP 203 Cb 0.29 -0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.14 1bk5 h ASP 203 CO 0.00 0.57 0.69 -0.94 -2.88 0.00 0.00 179.24 176.69 1bk5 s SER 204 N -5.86 -0.09 0.43 2.28 1.04 -1.26 -5.00 113.70 105.24 1bk5 s SER 204 Ca -0.14 -0.29 0.21 0.00 0.48 0.00 0.00 55.95 56.22 1bk5 s SER 204 Cb 0.08 0.31 0.96 0.00 0.10 0.00 0.00 66.02 67.47 1bk5 s SER 204 CO 0.74 -0.57 1.87 0.71 0.98 0.00 0.00 173.24 176.96 1bk5 h THR 205 N 2.00 0.78 -0.20 2.02 1.35 -1.93 -0.30 112.91 116.64 1bk5 h THR 205 Ca -0.27 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.44 1bk5 h THR 205 Cb 1.21 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1bk5 h THR 205 CO 0.28 0.26 -0.02 0.44 -0.25 0.00 0.00 175.52 176.24 1bk5 h ASP 206 N 0.00 0.37 0.40 5.36 5.19 -1.95 -1.05 116.42 124.73 1bk5 h ASP 206 Ca -0.00 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 55.93 1bk5 h ASP 206 Cb 0.66 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1bk5 h ASP 206 CO 0.03 0.61 -0.59 1.88 -3.12 0.00 0.00 179.24 178.06 1bk5 h TYR 207 N 0.11 0.25 0.08 4.55 0.05 -1.76 -1.56 116.97 118.69 1bk5 h TYR 207 Ca 0.05 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1bk5 h TYR 207 Cb 0.44 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1bk5 h TYR 207 CO 0.04 0.74 -0.04 -0.09 -1.05 0.00 0.00 178.16 177.76 1bk5 h ARG 208 N 0.15 -0.11 -0.58 4.88 2.43 -0.96 -0.51 114.38 119.68 1bk5 h ARG 208 Ca -0.00 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1bk5 h ARG 208 Cb 1.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1bk5 h ARG 208 CO 0.09 -0.04 0.10 -0.44 -1.51 0.00 0.00 179.97 178.16 1bk5 h ASP 209 N -0.15 0.88 -0.39 -3.80 3.32 -1.09 -1.10 116.42 114.09 1bk5 h ASP 209 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1bk5 h ASP 209 Cb 0.12 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1bk5 h ASP 209 CO 0.02 0.89 0.26 0.22 -1.72 0.00 0.00 179.24 178.91 1bk5 h TYR 210 N 0.88 0.50 -0.53 4.55 3.20 -1.02 0.44 116.97 124.98 1bk5 h TYR 210 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1bk5 h TYR 210 Cb 0.39 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1bk5 h TYR 210 CO 0.02 0.32 0.24 0.28 -1.64 0.00 0.00 178.16 177.39 1bk5 h VAL 211 N 0.53 1.20 -0.61 1.81 2.07 -0.77 0.49 116.25 120.97 1bk5 h VAL 211 Ca 0.14 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1bk5 h VAL 211 Cb -0.05 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1bk5 h VAL 211 CO -0.03 0.23 0.01 -0.07 0.02 0.00 0.00 177.57 177.74 1bk5 h LEU 212 N 0.71 1.04 -1.29 2.57 3.38 -0.90 -2.68 115.31 118.13 1bk5 h LEU 212 Ca 0.18 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1bk5 h LEU 212 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1bk5 h LEU 212 CO -0.02 1.08 -0.35 1.56 0.09 0.00 0.00 178.44 180.80 1bk5 h GLN 213 N 0.98 0.00 0.00 1.13 7.50 0.29 -1.91 115.11 123.09 1bk5 h GLN 213 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1bk5 h GLN 213 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1bk5 h GLN 213 CO 0.03 0.35 0.00 0.00 -1.50 0.00 0.00 178.83 177.71 1bk5 n ASN 215 N -0.59 -2.69 0.20 0.00 3.02 -0.72 -4.91 115.26 109.57 1bk5 n ASN 215 Ca 0.04 -0.61 0.10 0.00 -0.03 0.00 0.00 54.58 54.08 1bk5 n ASN 215 Cb 0.02 -5.09 0.14 0.00 -0.61 0.00 0.00 39.78 34.23 1bk5 n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bk5 h ALA 216 N 0.91 0.92 -0.64 5.41 0.00 -1.68 -3.33 119.26 120.85 1bk5 h ALA 216 Ca -0.58 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1bk5 h ALA 216 Cb 1.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1bk5 h ALA 216 CO 0.51 0.15 0.43 1.98 0.00 0.00 0.00 179.25 182.31 1bk5 h MET 217 N 0.00 0.82 0.83 0.00 -1.53 -1.85 -2.61 114.93 110.59 1bk5 h MET 217 Ca -0.00 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.17 1bk5 h MET 217 Cb 1.09 -0.18 0.01 0.00 -0.55 0.00 0.00 31.60 31.96 1bk5 h MET 217 CO 0.02 0.54 -0.40 1.49 0.14 0.00 0.00 176.91 178.70 1bk5 h GLU 218 N 0.84 -1.07 0.00 0.39 4.81 -1.98 -1.54 114.58 116.03 1bk5 h GLU 218 Ca 0.24 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1bk5 h GLU 218 Cb -0.06 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1bk5 h GLU 218 CO -0.06 -0.71 -0.05 -1.00 -0.73 0.00 0.00 179.01 176.47 1bk5 h PRO 219 N -1.19 0.00 -0.04 0.92 0.13 -1.80 -2.32 132.00 127.70 1bk5 h PRO 219 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 1bk5 h PRO 219 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1bk5 h PRO 219 CO 0.19 0.05 -0.08 0.82 -0.23 0.00 0.00 178.00 178.74 1bk5 h ILE 220 N 0.00 1.42 0.00 -3.56 2.04 -1.32 -2.75 117.51 113.34 1bk5 h ILE 220 Ca -0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1bk5 h ILE 220 Cb 0.44 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1bk5 h ILE 220 CO 0.01 0.38 -0.11 -0.07 0.00 0.00 0.00 178.15 178.35 1bk5 h LEU 221 N -0.38 0.00 -2.06 1.44 3.38 -1.17 -1.32 115.31 115.21 1bk5 h LEU 221 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bk5 h LEU 221 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1bk5 h LEU 221 CO 0.02 0.11 -0.01 1.23 0.09 0.00 0.00 178.44 179.88 1bk5 h GLY 222 N 0.35 0.00 2.00 0.83 0.00 -1.14 -2.62 103.07 102.48 1bk5 h GLY 222 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bk5 h GLY 222 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1bk5 h LEU 223 N 0.00 0.00 0.00 3.11 3.38 -0.96 -3.11 115.31 117.73 1bk5 h LEU 223 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bk5 h LEU 223 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1bk5 h LEU 223 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1bk5 n PHE 224 N -2.86 0.00 1.19 1.13 3.01 -0.99 -1.92 117.46 117.02 1bk5 n PHE 224 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 1bk5 n PHE 224 Cb 0.34 -0.33 0.37 0.00 -0.01 0.00 0.00 39.48 39.85 1bk5 n PHE 224 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bk5 n ASN 225 N -1.33 1.77 -4.36 4.37 3.02 -1.17 -4.84 115.26 112.72 1bk5 n ASN 225 Ca 0.10 -1.71 -0.28 0.00 -0.03 0.00 0.00 54.58 52.65 1bk5 n ASN 225 Cb 0.20 -0.10 0.15 0.00 -0.61 0.00 0.00 39.78 39.42 1bk5 n ASN 225 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1bk5 s SER 226 N -1.60 3.59 -0.20 6.41 1.04 -0.81 -5.02 113.70 117.11 1bk5 s SER 226 Ca 0.33 0.18 0.16 0.00 0.48 0.00 0.00 55.95 57.11 1bk5 s SER 226 Cb 0.18 -0.37 0.46 0.00 0.10 0.00 0.00 66.02 66.39 1bk5 s SER 226 CO 0.27 -2.42 1.17 -3.20 0.98 0.00 0.00 173.24 170.04 1bk5 n ASN 227 N -3.48 2.45 -4.09 7.02 4.05 -1.26 -5.00 115.26 114.95 1bk5 n ASN 227 Ca 0.14 -2.92 -0.32 0.00 0.45 0.00 0.00 54.58 51.93 1bk5 n ASN 227 Cb 0.60 -0.41 -0.15 0.00 1.23 0.00 0.00 39.78 41.05 1bk5 n ASN 227 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1bk5 s LYS 228 N -2.83 2.40 0.17 1.20 2.20 -1.26 -5.04 119.74 116.58 1bk5 s LYS 228 Ca 0.38 -1.25 -0.25 0.00 -0.36 0.00 0.00 55.97 54.49 1bk5 s LYS 228 Cb 0.37 -2.85 0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1bk5 s LYS 228 CO -0.05 -0.51 1.58 -1.00 -0.36 0.00 0.00 175.35 175.01 1bk5 h PRO 229 N 7.82 -0.24 -0.93 4.03 0.13 -1.99 -1.70 132.00 139.13 1bk5 h PRO 229 Ca -0.24 0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1bk5 h PRO 229 Cb 1.06 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1bk5 h PRO 229 CO 0.50 -0.16 0.57 0.66 -0.23 0.00 0.00 178.00 179.34 1bk5 h SER 230 N -0.24 0.83 -0.34 1.44 4.64 -1.99 0.48 113.55 118.37 1bk5 h SER 230 Ca 0.18 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1bk5 h SER 230 Cb 0.57 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1bk5 h SER 230 CO -0.64 0.46 -0.06 0.25 -0.87 0.00 0.00 176.83 175.96 1bk5 h LEU 231 N 0.92 0.63 -1.22 5.97 5.85 -1.83 -2.45 115.31 123.19 1bk5 h LEU 231 Ca 0.45 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1bk5 h LEU 231 Cb 0.42 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1bk5 h LEU 231 CO -0.26 0.83 0.21 0.40 -0.34 0.00 0.00 178.44 179.29 1bk5 h ILE 232 N 0.42 1.19 0.79 4.05 1.08 -0.46 -1.03 117.51 123.56 1bk5 h ILE 232 Ca 0.09 -0.60 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1bk5 h ILE 232 Cb 0.55 0.57 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1bk5 h ILE 232 CO 0.03 0.24 -0.38 0.03 -0.69 0.00 0.00 178.15 177.37 1bk5 h ARG 233 N 0.75 -1.03 -0.84 2.37 3.08 -0.71 -0.10 114.38 117.89 1bk5 h ARG 233 Ca 0.18 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.37 1bk5 h ARG 233 Cb 0.15 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1bk5 h ARG 233 CO -0.02 -0.67 0.55 1.15 -1.07 0.00 0.00 179.97 179.91 1bk5 h THR 234 N -1.12 1.03 -0.63 2.04 2.02 -1.33 0.53 112.91 115.44 1bk5 h THR 234 Ca -0.11 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1bk5 h THR 234 Cb 0.83 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1bk5 h THR 234 CO 0.18 0.17 0.13 0.00 0.37 0.00 0.00 175.52 176.37 1bk5 h ALA 235 N 1.55 1.05 -0.28 6.16 0.00 -1.03 -0.72 119.26 125.99 1bk5 h ALA 235 Ca 0.37 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1bk5 h ALA 235 Cb 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bk5 h ALA 235 CO -0.14 0.62 -0.28 1.15 0.00 0.00 0.00 179.25 180.60 1bk5 h THR 236 N 0.95 1.30 -0.80 0.00 2.02 0.55 -1.83 112.91 115.11 1bk5 h THR 236 Ca 0.20 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 65.97 1bk5 h THR 236 Cb 0.37 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 1bk5 h THR 236 CO 0.00 0.46 0.50 -0.25 0.37 0.00 0.00 175.52 176.61 1bk5 h TRP 237 N 0.42 0.93 -0.55 3.16 7.01 -0.70 -0.27 115.95 125.95 1bk5 h TRP 237 Ca 0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1bk5 h TRP 237 Cb 0.85 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 1bk5 h TRP 237 CO 0.07 0.51 0.26 1.15 -2.79 0.00 0.00 178.44 177.64 1bk5 h THR 238 N 0.95 1.21 -0.76 2.65 2.02 -0.96 -1.45 112.91 116.57 1bk5 h THR 238 Ca 0.34 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1bk5 h THR 238 Cb 0.09 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1bk5 h THR 238 CO -0.14 0.24 0.44 0.25 0.37 0.00 0.00 175.52 176.68 1bk5 h LEU 239 N 0.75 0.91 -0.16 2.58 5.85 -0.63 -1.24 115.31 123.37 1bk5 h LEU 239 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1bk5 h LEU 239 Cb 0.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1bk5 h LEU 239 CO -0.02 0.71 0.07 -1.28 -0.34 0.00 0.00 178.44 177.58 1bk5 h SER 240 N 1.04 0.21 -0.82 1.25 0.87 -0.30 -1.71 113.55 114.10 1bk5 h SER 240 Ca 0.27 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1bk5 h SER 240 Cb -0.03 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1bk5 h SER 240 CO -0.05 0.28 0.54 0.78 -0.53 0.00 0.00 176.83 177.85 1bk5 h ASN 241 N 0.12 0.90 0.51 6.23 2.35 -0.71 -1.78 115.58 123.20 1bk5 h ASN 241 Ca 0.05 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1bk5 h ASN 241 Cb 0.13 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1bk5 h ASN 241 CO -0.01 0.64 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.96 1bk5 h LEU 242 N 1.05 0.00 0.00 1.61 3.38 -0.90 -3.04 115.31 117.41 1bk5 h LEU 242 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1bk5 h LEU 242 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1bk5 h LEU 242 CO -0.08 0.38 -0.77 0.00 0.09 0.00 0.00 178.44 178.07 1bk5 s ARG 244 N -3.20 3.72 0.00 0.00 3.52 -0.73 -4.46 118.95 117.80 1bk5 s ARG 244 Ca 0.05 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1bk5 s ARG 244 Cb 0.13 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 1bk5 s ARG 244 CO 0.75 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 175.18 1bk5 n GLY 245 N -1.14 2.62 0.00 8.12 0.00 -1.26 -4.72 105.19 108.81 1bk5 n GLY 245 Ca 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1bk5 n GLY 245 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bk5 n LYS 246 N 1.59 2.28 0.00 1.61 4.81 -1.26 -3.95 118.16 123.24 1bk5 n LYS 246 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bk5 n LYS 246 Cb 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1bk5 n LYS 246 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1bk5 n LYS 247 N -1.18 0.00 -2.43 1.64 4.76 -1.26 -3.39 118.16 116.31 1bk5 n LYS 247 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1bk5 n LYS 247 Cb 0.00 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 1bk5 n LYS 247 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1bk5 s PRO 248 N 0.00 4.33 0.45 1.97 0.02 -1.26 -4.93 135.00 135.58 1bk5 s PRO 248 Ca 0.00 1.71 -0.22 0.00 0.02 0.00 0.00 61.00 62.51 1bk5 s PRO 248 Cb 0.00 -3.58 -0.09 0.00 0.02 0.00 0.00 34.50 30.86 1bk5 s PRO 248 CO 0.00 -0.49 1.05 -1.14 -0.33 0.00 0.00 177.00 176.09 1bk5 s GLN 249 N 2.36 3.92 0.54 5.54 2.00 -1.22 -4.83 119.66 127.97 1bk5 s GLN 249 Ca 0.57 1.45 -0.20 0.00 -2.00 0.00 0.00 55.36 55.18 1bk5 s GLN 249 Cb -0.25 -2.27 -0.06 0.00 0.80 0.00 0.00 33.01 31.23 1bk5 s GLN 249 CO 0.22 -0.34 1.13 -1.25 -0.50 0.00 0.00 175.29 174.55 1bk5 s PRO 250 N -2.94 3.38 -0.47 1.67 0.04 -1.25 -4.86 135.00 130.57 1bk5 s PRO 250 Ca 0.64 1.62 -0.35 0.00 0.04 0.00 0.00 61.00 62.95 1bk5 s PRO 250 Cb -0.19 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1bk5 s PRO 250 CO 0.24 -0.83 2.28 -3.47 0.04 0.00 0.00 177.00 175.26 1bk5 n ASP 251 N -1.25 1.69 0.08 6.66 -0.08 -1.26 -4.82 116.55 117.57 1bk5 n ASP 251 Ca 0.11 0.32 0.05 0.00 -1.51 0.00 0.00 54.79 53.76 1bk5 n ASP 251 Cb 0.51 -1.20 0.48 0.00 2.34 0.00 0.00 41.12 43.25 1bk5 n ASP 251 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1bk5 h TRP 252 N 12.64 0.35 0.00 -0.67 2.91 -1.98 -1.11 115.95 128.08 1bk5 h TRP 252 Ca -0.21 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.78 1bk5 h TRP 252 Cb 1.33 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 1bk5 h TRP 252 CO 0.98 0.24 -0.17 0.66 -1.03 0.00 0.00 178.44 179.12 1bk5 h SER 253 N 0.37 0.00 0.00 2.65 4.64 -2.00 -1.51 113.55 117.70 1bk5 h SER 253 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1bk5 h SER 253 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bk5 h SER 253 CO -0.02 0.17 -0.46 0.58 -0.87 0.00 0.00 176.83 176.23 1bk5 h VAL 254 N 0.00 0.03 -0.01 0.95 2.07 -1.66 -3.40 116.25 114.23 1bk5 h VAL 254 Ca -0.00 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1bk5 h VAL 254 Cb 0.45 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1bk5 h VAL 254 CO 0.02 0.01 -0.00 -0.37 0.02 0.00 0.00 177.57 177.25 1bk5 h VAL 255 N -1.00 1.01 0.00 2.57 -1.51 -1.28 -2.27 116.25 113.77 1bk5 h VAL 255 Ca -0.01 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1bk5 h VAL 255 Cb 0.47 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1bk5 h VAL 255 CO -0.01 0.01 -0.02 0.77 -1.23 0.00 0.00 177.57 177.09 1bk5 h SER 256 N 0.02 0.00 0.43 4.19 4.64 -1.49 -1.62 113.55 119.72 1bk5 h SER 256 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bk5 h SER 256 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1bk5 h SER 256 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1bk5 n GLN 257 N -3.27 0.11 0.05 4.77 6.02 -0.85 -2.12 117.38 122.09 1bk5 n GLN 257 Ca -0.02 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 1bk5 n GLN 257 Cb 0.15 -1.75 0.24 0.00 1.02 0.00 0.00 30.24 29.90 1bk5 n GLN 257 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bk5 n ALA 258 N -1.67 2.96 -0.10 -1.58 0.00 -0.61 -4.38 120.51 115.14 1bk5 n ALA 258 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 1bk5 n ALA 258 Cb 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1bk5 n ALA 258 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bk5 h LEU 259 N 0.00 -0.38 -0.52 0.00 3.38 -1.59 0.16 115.31 116.35 1bk5 h LEU 259 Ca 0.00 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1bk5 h LEU 259 Cb 0.67 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1bk5 h LEU 259 CO 0.00 -0.14 0.22 -0.65 0.09 0.00 0.00 178.44 177.96 1bk5 h PRO 260 N -0.03 0.41 -0.74 1.13 0.11 -1.82 0.71 132.00 131.78 1bk5 h PRO 260 Ca 0.17 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1bk5 h PRO 260 Cb 0.28 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1bk5 h PRO 260 CO -0.37 0.27 0.22 1.15 -0.21 0.00 0.00 178.00 179.06 1bk5 h THR 261 N 0.42 1.26 -0.62 -1.15 2.02 -1.71 -2.51 112.91 110.63 1bk5 h THR 261 Ca 0.25 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1bk5 h THR 261 Cb 0.23 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1bk5 h THR 261 CO -0.22 0.37 0.14 -0.07 0.37 0.00 0.00 175.52 176.10 1bk5 h LEU 262 N 1.11 0.96 -2.09 2.58 4.07 0.25 -0.90 115.31 121.30 1bk5 h LEU 262 Ca 0.24 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1bk5 h LEU 262 Cb 0.33 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1bk5 h LEU 262 CO -0.01 0.95 0.04 0.00 -1.08 0.00 0.00 178.44 178.35 1bk5 h ALA 263 N 1.04 1.96 0.16 1.53 0.00 0.82 -2.63 119.26 122.14 1bk5 h ALA 263 Ca 0.19 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1bk5 h ALA 263 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bk5 h ALA 263 CO 0.00 -0.07 -1.69 0.87 0.00 0.00 0.00 179.25 178.36 1bk5 h LYS 264 N 0.00 0.34 -0.18 0.00 1.57 -1.07 -3.36 116.57 113.87 1bk5 h LYS 264 Ca 0.03 -0.58 0.05 0.00 -1.87 0.00 0.00 60.65 58.28 1bk5 h LYS 264 Cb 0.11 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1bk5 h LYS 264 CO -0.00 1.28 0.15 -0.07 -0.57 0.00 0.00 179.45 180.24 1bk5 h LEU 265 N -0.02 0.00 0.00 2.94 3.38 -0.82 -1.32 115.31 119.47 1bk5 h LEU 265 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1bk5 h LEU 265 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1bk5 h LEU 265 CO 0.13 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.96 1bk5 n ILE 266 N -4.18 0.00 -0.01 1.22 -5.35 -1.07 -1.08 119.36 108.89 1bk5 n ILE 266 Ca 0.01 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.54 1bk5 n ILE 266 Cb 0.28 -0.24 0.10 0.00 -1.74 0.00 0.00 39.64 38.04 1bk5 n ILE 266 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1bk5 n TYR 267 N -0.58 0.28 -1.67 4.28 4.02 -0.50 -5.03 117.16 117.96 1bk5 n TYR 267 Ca 0.02 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.90 57.20 1bk5 n TYR 267 Cb 0.01 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 39.37 1bk5 n TYR 267 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bk5 s SER 268 N -0.94 4.81 0.21 7.72 0.15 -0.24 -4.95 113.70 120.46 1bk5 s SER 268 Ca 0.16 2.15 0.23 0.00 0.70 0.00 0.00 55.95 59.19 1bk5 s SER 268 Cb 0.09 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1bk5 s SER 268 CO 0.12 -1.84 1.08 0.24 1.20 0.00 0.00 173.24 174.04 1bk5 h MET 269 N 0.01 0.00 -6.08 5.44 2.86 -1.96 -3.46 114.93 111.73 1bk5 h MET 269 Ca -0.47 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.59 1bk5 h MET 269 Cb 1.27 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 1bk5 h MET 269 CO 0.53 0.00 0.77 0.34 1.06 0.00 0.00 176.91 179.61 1bk5 s ASP 270 N -5.35 7.05 0.13 1.22 2.15 -1.26 -4.95 116.67 115.66 1bk5 s ASP 270 Ca 0.00 1.29 -0.18 0.00 0.43 0.00 0.00 52.55 54.09 1bk5 s ASP 270 Cb 0.09 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1bk5 s ASP 270 CO 0.78 -0.69 1.79 0.74 -0.17 0.00 0.00 175.17 177.62 1bk5 h THR 271 N 5.49 1.05 -0.59 1.71 2.02 -1.99 -1.17 112.91 119.43 1bk5 h THR 271 Ca -0.20 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1bk5 h THR 271 Cb 1.06 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1bk5 h THR 271 CO 0.98 0.06 0.36 -0.33 0.37 0.00 0.00 175.52 176.96 1bk5 h GLU 272 N 0.35 0.68 -0.29 6.66 5.08 -1.99 0.64 114.58 125.71 1bk5 h GLU 272 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1bk5 h GLU 272 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1bk5 h GLU 272 CO -0.04 0.45 0.17 1.15 -1.00 0.00 0.00 179.01 179.74 1bk5 h THR 273 N 0.71 1.11 -0.36 1.13 2.02 -1.87 -1.84 112.91 113.82 1bk5 h THR 273 Ca 0.24 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1bk5 h THR 273 Cb 0.02 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1bk5 h THR 273 CO -0.10 0.11 0.23 0.25 0.37 0.00 0.00 175.52 176.39 1bk5 h LEU 274 N 0.36 0.41 0.24 2.58 5.85 -0.84 -0.25 115.31 123.66 1bk5 h LEU 274 Ca 0.10 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1bk5 h LEU 274 Cb 0.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1bk5 h LEU 274 CO -0.02 0.30 -0.29 0.58 -0.34 0.00 0.00 178.44 178.67 1bk5 h VAL 275 N 0.48 0.38 -0.76 1.05 2.07 -0.65 0.13 116.25 118.96 1bk5 h VAL 275 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1bk5 h VAL 275 Cb -0.05 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1bk5 h VAL 275 CO -0.03 0.00 0.44 0.44 0.02 0.00 0.00 177.57 178.44 1bk5 h ASP 276 N -0.58 0.92 -0.55 0.57 3.32 -1.20 -0.79 116.42 118.10 1bk5 h ASP 276 Ca 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1bk5 h ASP 276 Cb 0.56 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1bk5 h ASP 276 CO -0.09 0.72 0.25 0.00 -1.72 0.00 0.00 179.24 178.39 1bk5 h ALA 277 N 1.43 0.71 -0.57 3.45 0.00 -0.69 0.12 119.26 123.72 1bk5 h ALA 277 Ca 0.27 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1bk5 h ALA 277 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1bk5 h ALA 277 CO -0.05 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.57 1bk5 h TRP 279 N 0.86 0.45 -0.90 0.00 4.06 -0.66 -0.93 115.95 118.83 1bk5 h TRP 279 Ca 0.18 -0.07 0.10 0.00 2.06 0.00 0.00 58.89 61.15 1bk5 h TRP 279 Cb 0.40 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.37 1bk5 h TRP 279 CO 0.02 0.56 0.55 0.00 -3.56 0.00 0.00 178.44 176.01 1bk5 h ALA 280 N 0.84 1.31 -0.35 1.49 0.00 -0.71 -1.25 119.26 120.58 1bk5 h ALA 280 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1bk5 h ALA 280 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bk5 h ALA 280 CO 0.01 0.19 -0.35 0.82 0.00 0.00 0.00 179.25 179.92 1bk5 h ILE 281 N 0.91 1.28 -0.25 0.00 2.04 -0.97 -1.89 117.51 118.63 1bk5 h ILE 281 Ca 0.43 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1bk5 h ILE 281 Cb 0.37 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1bk5 h ILE 281 CO -0.24 0.50 -0.06 0.77 0.00 0.00 0.00 178.15 179.12 1bk5 h SER 282 N 0.67 0.36 -0.25 1.72 4.64 -0.09 0.14 113.55 120.74 1bk5 h SER 282 Ca 0.06 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1bk5 h SER 282 Cb 0.90 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1bk5 h SER 282 CO 0.08 0.47 -0.22 1.88 -0.87 0.00 0.00 176.83 178.17 1bk5 h TYR 283 N 0.37 0.71 -0.09 4.77 0.05 -1.06 -2.71 116.97 119.01 1bk5 h TYR 283 Ca 0.08 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 1bk5 h TYR 283 Cb 0.34 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1bk5 h TYR 283 CO 0.01 0.90 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.72 1bk5 h LEU 284 N 0.31 0.14 0.00 3.88 3.38 -0.91 -2.72 115.31 119.39 1bk5 h LEU 284 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bk5 h LEU 284 Cb 0.77 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1bk5 h LEU 284 CO 0.06 0.38 0.00 -1.20 0.09 0.00 0.00 178.44 177.77 1bk5 n SER 285 N -4.21 0.00 -0.47 -0.43 7.64 0.46 -3.56 113.62 113.04 1bk5 n SER 285 Ca -0.01 0.41 0.07 0.00 1.01 0.00 0.00 58.87 60.35 1bk5 n SER 285 Cb 0.32 -0.47 0.27 0.00 -1.01 0.00 0.00 64.21 63.32 1bk5 n SER 285 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bk5 n ASP 286 N -1.47 1.39 -1.96 6.43 5.68 -1.03 -4.35 116.55 121.24 1bk5 n ASP 286 Ca 0.07 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1bk5 n ASP 286 Cb 0.28 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1bk5 n ASP 286 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bk5 n GLY 287 N 1.00 0.10 1.88 6.12 0.00 -1.23 -5.09 105.19 107.97 1bk5 n GLY 287 Ca 0.12 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1bk5 n GLY 287 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bk5 n PRO 288 N -0.36 -2.08 -0.34 1.61 -0.04 -1.26 -4.66 135.00 127.87 1bk5 n PRO 288 Ca 0.00 -0.94 0.13 0.00 -0.04 0.00 0.00 63.50 62.65 1bk5 n PRO 288 Cb 0.00 -0.87 0.33 0.00 -0.04 0.00 0.00 33.50 32.92 1bk5 n PRO 288 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1bk5 h GLN 289 N 0.00 0.66 -0.37 0.54 4.15 -1.98 -1.96 115.11 116.15 1bk5 h GLN 289 Ca -0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1bk5 h GLN 289 Cb 0.67 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1bk5 h GLN 289 CO 0.14 0.44 0.24 0.93 -1.93 0.00 0.00 178.83 178.65 1bk5 h GLU 290 N 0.68 0.49 0.19 1.69 5.08 -1.98 0.19 114.58 120.92 1bk5 h GLU 290 Ca 0.58 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1bk5 h GLU 290 Cb 0.96 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1bk5 h GLU 290 CO -0.41 0.33 -0.11 0.00 -1.00 0.00 0.00 179.01 177.82 1bk5 h ALA 291 N 1.13 -0.28 -0.93 3.43 0.00 -1.68 -0.34 119.26 120.58 1bk5 h ALA 291 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bk5 h ALA 291 Cb -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1bk5 h ALA 291 CO -0.03 -0.66 0.61 0.82 0.00 0.00 0.00 179.25 179.99 1bk5 h ILE 292 N -0.29 1.14 -0.13 0.00 2.04 -1.25 -2.11 117.51 116.90 1bk5 h ILE 292 Ca -0.02 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 1bk5 h ILE 292 Cb 0.24 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1bk5 h ILE 292 CO 0.02 0.21 -0.38 -0.61 0.00 0.00 0.00 178.15 177.39 1bk5 h GLN 293 N 1.15 0.29 -0.02 2.37 5.75 -0.15 -2.03 115.11 122.46 1bk5 h GLN 293 Ca 0.38 -0.13 -0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1bk5 h GLN 293 Cb 0.06 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1bk5 h GLN 293 CO -0.12 0.64 -0.56 0.00 -2.65 0.00 0.00 178.83 176.13 1bk5 h ALA 294 N 1.36 1.03 -0.22 3.38 0.00 -0.43 0.20 119.26 124.58 1bk5 h ALA 294 Ca 0.03 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 1bk5 h ALA 294 Cb 0.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bk5 h ALA 294 CO 0.06 0.70 -0.57 0.28 0.00 0.00 0.00 179.25 179.72 1bk5 h VAL 295 N 0.05 1.30 -0.38 0.00 2.07 -1.03 -2.80 116.25 115.46 1bk5 h VAL 295 Ca -0.00 -1.79 -0.15 0.00 0.82 0.00 0.00 66.70 65.58 1bk5 h VAL 295 Cb 1.00 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1bk5 h VAL 295 CO 0.08 0.57 -0.34 0.40 0.02 0.00 0.00 177.57 178.29 1bk5 h ILE 296 N 0.53 1.28 -0.62 4.57 2.04 -1.15 -2.76 117.51 121.39 1bk5 h ILE 296 Ca 0.01 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.30 1bk5 h ILE 296 Cb 1.14 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1bk5 h ILE 296 CO 0.11 0.50 0.15 0.44 0.00 0.00 0.00 178.15 179.36 1bk5 h ASP 297 N 0.73 0.92 -0.13 1.72 3.32 -0.87 -1.70 116.42 120.40 1bk5 h ASP 297 Ca 0.07 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1bk5 h ASP 297 Cb 0.91 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1bk5 h ASP 297 CO 0.08 0.89 0.00 0.55 -1.72 0.00 0.00 179.24 179.04 1bk5 n VAL 298 N -4.25 0.30 -3.82 -1.35 3.14 -1.07 -4.90 118.33 106.38 1bk5 n VAL 298 Ca 0.05 -0.21 -0.28 0.00 -2.96 0.00 0.00 64.34 60.94 1bk5 n VAL 298 Cb 0.24 -0.10 0.04 0.00 -1.06 0.00 0.00 33.84 32.96 1bk5 n VAL 298 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1bk5 n ARG 299 N -0.02 -5.93 0.09 1.45 1.74 -0.64 -4.93 116.66 108.41 1bk5 n ARG 299 Ca 0.05 0.65 -0.17 0.00 -0.77 0.00 0.00 57.85 57.60 1bk5 n ARG 299 Cb 0.23 -5.53 -0.10 0.00 -1.02 0.00 0.00 32.46 26.03 1bk5 n ARG 299 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1bk5 h ILE 300 N -2.17 1.38 -0.85 0.55 2.04 -1.70 -3.39 117.51 113.38 1bk5 h ILE 300 Ca -0.58 -2.61 0.14 0.00 1.00 0.00 0.00 64.86 62.80 1bk5 h ILE 300 Cb 1.37 2.66 -0.15 0.00 -0.74 0.00 0.00 36.82 39.97 1bk5 h ILE 300 CO 0.63 0.78 -0.35 -0.65 0.00 0.00 0.00 178.15 178.57 1bk5 h PRO 301 N 0.21 -0.05 -0.89 2.37 0.11 -1.88 -0.20 132.00 131.66 1bk5 h PRO 301 Ca -0.14 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.01 1bk5 h PRO 301 Cb 1.81 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.88 1bk5 h PRO 301 CO 0.20 -0.04 0.59 -0.22 -0.21 0.00 0.00 178.00 178.32 1bk5 h LYS 302 N -0.06 1.09 -0.28 1.05 1.63 -1.92 -0.78 116.57 117.31 1bk5 h LYS 302 Ca 0.32 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.92 1bk5 h LYS 302 Cb 0.59 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1bk5 h LYS 302 CO -0.88 0.72 -0.39 -0.09 -3.45 0.00 0.00 179.45 175.37 1bk5 h ARG 303 N 1.12 0.66 -0.56 1.90 9.65 -1.29 -1.83 114.38 124.03 1bk5 h ARG 303 Ca 0.35 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1bk5 h ARG 303 Cb 0.00 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1bk5 h ARG 303 CO -0.10 0.94 0.34 -0.07 2.80 0.00 0.00 179.97 183.87 1bk5 h LEU 304 N 0.54 0.55 -0.27 3.80 4.07 -0.38 -0.30 115.31 123.33 1bk5 h LEU 304 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1bk5 h LEU 304 Cb 0.91 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1bk5 h LEU 304 CO 0.08 0.39 0.14 0.58 -1.08 0.00 0.00 178.44 178.55 1bk5 h VAL 305 N 0.67 1.13 -0.77 1.22 2.07 -0.92 -2.29 116.25 117.36 1bk5 h VAL 305 Ca 0.23 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1bk5 h VAL 305 Cb 0.02 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1bk5 h VAL 305 CO -0.10 0.13 0.51 -0.33 0.02 0.00 0.00 177.57 177.80 1bk5 h GLU 306 N 0.31 0.94 0.00 1.57 5.08 -0.91 -1.09 114.58 120.48 1bk5 h GLU 306 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1bk5 h GLU 306 Cb 0.08 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1bk5 h GLU 306 CO -0.01 0.62 0.00 -0.07 -1.00 0.00 0.00 179.01 178.55 1bk5 h LEU 307 N 0.97 0.00 -2.21 1.33 3.38 -0.53 -2.98 115.31 115.27 1bk5 h LEU 307 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1bk5 h LEU 307 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bk5 h LEU 307 CO -0.08 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.32 1bk5 h LEU 308 N 0.00 0.00 -3.11 1.67 3.38 -0.66 -0.60 115.31 115.99 1bk5 h LEU 308 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bk5 h LEU 308 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1bk5 h LEU 308 CO 0.00 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 1bk5 n SER 309 N -3.82 4.88 -4.77 -0.43 3.41 -1.12 -4.83 113.62 106.94 1bk5 n SER 309 Ca -0.03 -2.62 -0.40 0.00 -0.26 0.00 0.00 58.87 55.56 1bk5 n SER 309 Cb 0.15 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 1bk5 n SER 309 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1bk5 s HIS 310 N -2.21 2.83 0.44 7.33 5.04 -0.23 -4.89 115.29 123.60 1bk5 s HIS 310 Ca 0.49 1.38 0.15 0.00 -1.54 0.00 0.00 55.06 55.54 1bk5 s HIS 310 Cb 0.34 -3.71 1.05 0.00 0.04 0.00 0.00 32.58 30.29 1bk5 s HIS 310 CO 0.19 -2.16 1.97 0.93 -2.34 0.00 0.00 174.74 173.33 1bk5 h GLU 311 N 2.84 0.38 -5.75 2.88 3.07 -1.92 -3.42 114.58 112.66 1bk5 h GLU 311 Ca -0.50 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.36 57.75 1bk5 h GLU 311 Cb 1.24 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.99 1bk5 h GLU 311 CO 0.63 0.25 -0.20 0.45 -1.40 0.00 0.00 179.01 178.75 1bk5 s SER 312 N -6.19 6.66 0.23 1.42 0.15 -1.26 -4.95 113.70 109.76 1bk5 s SER 312 Ca -0.08 0.78 0.23 0.00 0.70 0.00 0.00 55.95 57.59 1bk5 s SER 312 Cb 0.20 -2.25 0.94 0.00 -1.71 0.00 0.00 66.02 63.19 1bk5 s SER 312 CO 0.75 0.10 1.70 0.35 1.20 0.00 0.00 173.24 177.34 1bk5 n THR 313 N 3.21 0.80 0.23 6.45 -2.24 -1.26 -1.83 114.28 119.63 1bk5 n THR 313 Ca -0.10 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1bk5 n THR 313 Cb 0.52 -1.07 0.45 0.00 -2.10 0.00 0.00 70.33 68.13 1bk5 n THR 313 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1bk5 h LEU 314 N 0.00 0.00 0.06 3.22 3.38 -1.95 -2.00 115.31 118.03 1bk5 h LEU 314 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1bk5 h LEU 314 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1bk5 h LEU 314 CO 0.00 0.19 -1.86 0.52 0.09 0.00 0.00 178.44 177.38 1bk5 n VAL 315 N -3.32 1.66 -0.28 1.22 0.31 -0.76 -4.34 118.33 112.82 1bk5 n VAL 315 Ca 0.01 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 63.89 1bk5 n VAL 315 Cb 0.43 -1.81 0.18 0.00 -0.91 0.00 0.00 33.84 31.74 1bk5 n VAL 315 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1bk5 h GLN 316 N -0.35 1.12 0.73 5.55 4.20 -1.39 -2.37 115.11 122.61 1bk5 h GLN 316 Ca -0.44 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 1bk5 h GLN 316 Cb 1.76 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 29.30 1bk5 h GLN 316 CO -0.06 0.76 -0.42 1.15 -0.67 0.00 0.00 178.83 179.59 1bk5 h THR 317 N 1.15 0.00 -0.16 -0.54 2.02 -1.56 0.40 112.91 114.20 1bk5 h THR 317 Ca 0.30 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 1bk5 h THR 317 Cb -0.09 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 1bk5 h THR 317 CO -0.06 0.00 -0.13 1.55 0.37 0.00 0.00 175.52 177.25 1bk5 h PRO 318 N -1.08 0.26 -0.40 6.66 0.13 -1.75 0.16 132.00 135.99 1bk5 h PRO 318 Ca -0.10 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.89 1bk5 h PRO 318 Cb 0.85 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1bk5 h PRO 318 CO 0.12 0.40 -0.06 0.00 -0.23 0.00 0.00 178.00 178.23 1bk5 h ALA 319 N 1.62 0.54 -0.55 -0.56 0.00 -1.29 -0.27 119.26 118.76 1bk5 h ALA 319 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1bk5 h ALA 319 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bk5 h ALA 319 CO 0.02 0.38 -0.06 1.25 0.00 0.00 0.00 179.25 180.84 1bk5 h LEU 320 N 0.56 0.98 -0.23 0.00 5.85 0.18 -1.13 115.31 121.52 1bk5 h LEU 320 Ca 0.11 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1bk5 h LEU 320 Cb 0.56 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1bk5 h LEU 320 CO 0.03 1.06 0.13 -0.09 -0.34 0.00 0.00 178.44 179.23 1bk5 h ARG 321 N 0.89 0.26 -0.61 1.25 9.65 -0.41 0.13 114.38 125.54 1bk5 h ARG 321 Ca 0.15 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1bk5 h ARG 321 Cb 0.60 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 1bk5 h ARG 321 CO 0.04 0.17 0.41 0.00 2.80 0.00 0.00 179.97 183.39 1bk5 h ALA 322 N 1.10 0.78 -0.53 2.80 0.00 -0.82 -0.32 119.26 122.27 1bk5 h ALA 322 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1bk5 h ALA 322 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1bk5 h ALA 322 CO -0.04 0.21 0.22 0.28 0.00 0.00 0.00 179.25 179.91 1bk5 h VAL 323 N 0.83 1.21 -0.42 0.00 2.07 -0.94 -1.81 116.25 117.19 1bk5 h VAL 323 Ca 0.23 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1bk5 h VAL 323 Cb -0.09 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1bk5 h VAL 323 CO -0.05 0.25 0.26 1.23 0.02 0.00 0.00 177.57 179.29 1bk5 h GLY 324 N 0.72 0.58 1.00 2.17 0.00 -0.21 -2.02 103.07 105.31 1bk5 h GLY 324 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1bk5 h GLY 324 CO -0.02 0.19 0.41 3.43 0.00 0.00 0.00 176.54 180.56 1bk5 h ASN 325 N 0.54 0.79 -0.64 0.19 2.35 -0.86 -2.85 115.58 115.08 1bk5 h ASN 325 Ca 0.16 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1bk5 h ASN 325 Cb -0.03 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1bk5 h ASN 325 CO -0.05 0.60 0.39 0.40 -1.65 0.00 0.00 177.43 177.12 1bk5 h ILE 326 N 0.90 1.18 0.00 2.81 2.04 -0.93 -1.85 117.51 121.67 1bk5 h ILE 326 Ca 0.24 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1bk5 h ILE 326 Cb -0.05 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1bk5 h ILE 326 CO -0.05 0.19 0.00 1.33 0.00 0.00 0.00 178.15 179.62 1bk5 n VAL 327 N -4.59 0.00 1.07 1.67 0.24 -0.80 -1.44 118.33 114.48 1bk5 n VAL 327 Ca 0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1bk5 n VAL 327 Cb 0.05 -0.66 0.49 0.00 -1.47 0.00 0.00 33.84 32.25 1bk5 n VAL 327 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1bk5 n THR 328 N -1.00 0.00 -0.30 3.34 -2.24 -0.70 -4.69 114.28 108.70 1bk5 n THR 328 Ca 0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1bk5 n THR 328 Cb 0.07 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1bk5 n THR 328 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bk5 n GLY 329 N 1.46 -2.31 3.82 3.38 0.00 -0.52 -5.03 105.19 106.00 1bk5 n GLY 329 Ca 0.08 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1bk5 n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bk5 s ASN 330 N -1.50 3.41 0.23 1.61 2.20 -1.26 -4.76 114.94 114.86 1bk5 s ASN 330 Ca 0.00 0.76 -0.06 0.00 -0.94 0.00 0.00 52.86 52.61 1bk5 s ASN 330 Cb 0.00 -1.18 0.39 0.00 -2.00 0.00 0.00 41.25 38.46 1bk5 s ASN 330 CO 0.00 -2.59 1.73 0.44 -2.94 0.00 0.00 177.10 173.73 1bk5 h ASP 331 N -1.53 0.21 -0.36 3.54 5.19 -1.95 0.20 116.42 121.72 1bk5 h ASP 331 Ca -0.48 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1bk5 h ASP 331 Cb 1.31 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1bk5 h ASP 331 CO 0.56 0.09 0.19 -0.07 -3.12 0.00 0.00 179.24 176.88 1bk5 h LEU 332 N 0.40 0.46 -1.27 1.55 4.07 -2.00 -0.64 115.31 117.88 1bk5 h LEU 332 Ca 0.37 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.16 1bk5 h LEU 332 Cb 0.55 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1bk5 h LEU 332 CO -0.39 0.44 -0.26 1.56 -1.08 0.00 0.00 178.44 178.71 1bk5 h GLN 333 N 0.45 0.16 -0.16 1.13 4.20 -1.77 -2.48 115.11 116.63 1bk5 h GLN 333 Ca 0.13 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1bk5 h GLN 333 Cb 0.09 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1bk5 h GLN 333 CO -0.02 0.42 -0.48 1.15 -0.67 0.00 0.00 178.83 179.23 1bk5 h THR 334 N 0.15 1.33 -0.03 -0.54 2.02 -0.42 -2.89 112.91 112.52 1bk5 h THR 334 Ca 0.02 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 1bk5 h THR 334 Cb 0.55 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1bk5 h THR 334 CO 0.04 0.52 -0.20 1.56 0.37 0.00 0.00 175.52 177.81 1bk5 h GLN 335 N 0.33 0.04 -0.59 6.66 1.08 -0.66 -1.96 115.11 120.01 1bk5 h GLN 335 Ca 0.02 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1bk5 h GLN 335 Cb 0.97 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 1bk5 h GLN 335 CO 0.08 0.24 0.39 0.28 -0.95 0.00 0.00 178.83 178.88 1bk5 h VAL 336 N 0.04 1.14 -0.41 -0.54 2.07 -1.38 0.37 116.25 117.54 1bk5 h VAL 336 Ca 0.01 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1bk5 h VAL 336 Cb 0.38 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1bk5 h VAL 336 CO 0.03 0.14 -0.30 0.58 0.02 0.00 0.00 177.57 178.04 1bk5 h VAL 337 N 0.79 1.27 -0.10 2.57 2.07 -1.47 -1.81 116.25 119.56 1bk5 h VAL 337 Ca 0.22 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1bk5 h VAL 337 Cb -0.07 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1bk5 h VAL 337 CO -0.06 0.49 0.05 0.40 0.02 0.00 0.00 177.57 178.47 1bk5 h ILE 338 N 0.77 1.12 0.00 4.57 2.04 -0.90 -2.03 117.51 123.07 1bk5 h ILE 338 Ca 0.08 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1bk5 h ILE 338 Cb 0.87 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1bk5 h ILE 338 CO 0.08 0.11 -0.01 0.78 0.00 0.00 0.00 178.15 179.10 1bk5 h ASN 339 N 0.03 0.00 0.37 1.72 2.35 -0.13 0.23 115.58 120.14 1bk5 h ASN 339 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1bk5 h ASN 339 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1bk5 h ASN 339 CO -0.00 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1bk5 n ALA 340 N -2.15 2.35 -1.82 -0.83 0.00 -0.69 -4.89 120.51 112.49 1bk5 n ALA 340 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1bk5 n ALA 340 Cb 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1bk5 n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bk5 n GLY 341 N 0.86 0.63 0.29 0.00 0.00 0.82 -4.89 105.19 102.90 1bk5 n GLY 341 Ca 0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1bk5 n GLY 341 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1bk5 h VAL 342 N 0.00 1.24 -0.31 1.61 3.04 -1.59 -3.26 116.25 116.98 1bk5 h VAL 342 Ca 0.00 -0.96 0.05 0.00 -1.01 0.00 0.00 66.70 64.78 1bk5 h VAL 342 Cb 0.88 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 1bk5 h VAL 342 CO 0.00 0.34 0.04 -0.07 -1.01 0.00 0.00 177.57 176.87 1bk5 h LEU 343 N 0.72 -0.04 -1.06 3.16 3.38 -1.85 0.11 115.31 119.73 1bk5 h LEU 343 Ca 0.14 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1bk5 h LEU 343 Cb 0.42 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1bk5 h LEU 343 CO 0.02 0.02 0.24 -0.65 0.09 0.00 0.00 178.44 178.15 1bk5 h PRO 344 N 0.14 0.91 -0.42 1.13 0.11 -1.90 -1.82 132.00 130.15 1bk5 h PRO 344 Ca 0.14 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1bk5 h PRO 344 Cb 0.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1bk5 h PRO 344 CO -0.21 0.75 0.16 0.00 -0.21 0.00 0.00 178.00 178.49 1bk5 h ALA 345 N 1.37 0.54 -0.55 -0.75 0.00 -1.39 -2.65 119.26 115.83 1bk5 h ALA 345 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bk5 h ALA 345 Cb 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1bk5 h ALA 345 CO -0.02 0.15 0.23 -0.07 0.00 0.00 0.00 179.25 179.54 1bk5 h LEU 346 N 0.53 0.72 -0.79 0.00 3.38 -0.52 -2.13 115.31 116.51 1bk5 h LEU 346 Ca 0.14 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1bk5 h LEU 346 Cb 0.19 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1bk5 h LEU 346 CO -0.01 0.65 0.39 -0.09 0.09 0.00 0.00 178.44 179.46 1bk5 h ARG 347 N 0.79 0.58 -0.32 1.13 2.43 -0.97 -0.75 114.38 117.27 1bk5 h ARG 347 Ca 0.19 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1bk5 h ARG 347 Cb 0.15 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1bk5 h ARG 347 CO -0.02 0.38 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.61 1bk5 h LEU 348 N 0.59 0.67 -2.06 3.80 3.38 -1.28 -3.02 115.31 117.40 1bk5 h LEU 348 Ca 0.41 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bk5 h LEU 348 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1bk5 h LEU 348 CO -0.33 0.92 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 1bk5 h LEU 349 N 0.42 0.00 0.00 1.67 3.38 -0.67 -2.30 115.31 117.80 1bk5 h LEU 349 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bk5 h LEU 349 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1bk5 h LEU 349 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1bk5 n LEU 350 N -2.78 0.00 -0.25 1.67 4.77 -0.51 -1.88 117.00 118.02 1bk5 n LEU 350 Ca -0.01 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.23 1bk5 n LEU 350 Cb 0.12 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1bk5 n LEU 350 CO 0.19 -0.09 0.48 -1.20 -1.33 0.00 0.00 177.39 175.43 1bk5 n SER 351 N -1.24 2.07 -4.71 -1.43 7.64 -0.86 -4.92 113.62 110.17 1bk5 n SER 351 Ca 0.10 -1.74 -0.43 0.00 1.01 0.00 0.00 58.87 57.81 1bk5 n SER 351 Cb 0.14 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1bk5 n SER 351 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bk5 n SER 352 N 0.05 3.29 0.27 6.43 2.88 -0.79 -4.85 113.62 120.90 1bk5 n SER 352 Ca 0.04 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 58.92 1bk5 n SER 352 Cb 0.26 -1.52 0.90 0.00 -0.75 0.00 0.00 64.21 63.10 1bk5 n SER 352 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bk5 h PRO 353 N 4.22 0.00 -5.89 -1.46 0.13 -1.96 -3.41 132.00 123.63 1bk5 h PRO 353 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 1bk5 h PRO 353 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1bk5 h PRO 353 CO 0.75 0.00 0.58 0.15 -0.23 0.00 0.00 178.00 179.25 1bk5 s LYS 354 N -3.83 4.19 0.21 0.86 -0.14 -1.26 -4.94 119.74 114.82 1bk5 s LYS 354 Ca -0.02 1.04 -0.09 0.00 -1.36 0.00 0.00 55.97 55.54 1bk5 s LYS 354 Cb 0.10 -3.65 0.25 0.00 -1.68 0.00 0.00 37.83 32.85 1bk5 s LYS 354 CO 0.39 -0.58 1.82 1.49 -0.76 0.00 0.00 175.35 177.72 1bk5 h GLU 355 N 7.66 0.75 0.00 1.68 4.57 -2.00 -2.11 114.58 125.13 1bk5 h GLU 355 Ca -0.22 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1bk5 h GLU 355 Cb 1.08 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1bk5 h GLU 355 CO 0.91 0.50 -0.00 -0.91 -1.18 0.00 0.00 179.01 178.32 1bk5 h ASN 356 N 0.77 0.00 0.24 1.04 2.35 -1.94 -0.42 115.58 117.62 1bk5 h ASN 356 Ca 0.31 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.74 1bk5 h ASN 356 Cb 0.15 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.56 1bk5 h ASN 356 CO -0.16 0.00 -1.40 0.40 -1.65 0.00 0.00 177.43 174.62 1bk5 h ILE 357 N 0.00 1.31 -0.91 2.81 2.04 -1.76 -1.25 117.51 119.75 1bk5 h ILE 357 Ca -0.00 -2.68 -0.01 0.00 1.00 0.00 0.00 64.86 63.17 1bk5 h ILE 357 Cb 0.47 3.07 -0.04 0.00 -0.74 0.00 0.00 36.82 39.57 1bk5 h ILE 357 CO 0.00 0.80 0.52 0.11 0.00 0.00 0.00 178.15 179.58 1bk5 h LYS 358 N 0.08 1.26 0.23 2.37 1.57 -1.02 -0.01 116.57 121.06 1bk5 h LYS 358 Ca -0.24 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1bk5 h LYS 358 Cb 2.11 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1bk5 h LYS 358 CO 0.26 0.91 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.71 1bk5 h LYS 359 N 1.27 -0.30 0.00 3.15 3.64 -1.06 -1.23 116.57 122.04 1bk5 h LYS 359 Ca 0.32 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1bk5 h LYS 359 Cb -0.01 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1bk5 h LYS 359 CO -0.06 -0.05 -0.11 0.93 -2.27 0.00 0.00 179.45 177.90 1bk5 h GLU 360 N -0.53 0.00 -0.23 1.90 5.08 -1.11 0.34 114.58 120.02 1bk5 h GLU 360 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1bk5 h GLU 360 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1bk5 h GLU 360 CO 0.05 0.11 -0.22 0.00 -1.00 0.00 0.00 179.01 177.95 1bk5 h ALA 361 N 1.89 0.34 -0.46 3.43 0.00 -0.83 0.25 119.26 123.88 1bk5 h ALA 361 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1bk5 h ALA 361 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bk5 h ALA 361 CO 0.01 0.29 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 1bk5 h TRP 363 N 0.74 0.45 -0.36 0.00 7.01 -0.84 0.15 115.95 123.10 1bk5 h TRP 363 Ca 0.13 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 1bk5 h TRP 363 Cb 0.58 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 1bk5 h TRP 363 CO 0.03 0.46 0.22 1.15 -2.79 0.00 0.00 178.44 177.52 1bk5 h THR 364 N 0.30 1.11 -0.59 2.65 2.02 -0.17 -2.08 112.91 116.16 1bk5 h THR 364 Ca 0.09 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1bk5 h THR 364 Cb 0.22 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1bk5 h THR 364 CO -0.00 0.11 0.29 0.40 0.37 0.00 0.00 175.52 176.69 1bk5 h ILE 365 N 0.47 1.21 -0.29 3.11 2.04 -0.74 -2.14 117.51 121.17 1bk5 h ILE 365 Ca 0.13 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1bk5 h ILE 365 Cb -0.01 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1bk5 h ILE 365 CO -0.03 0.23 0.20 0.77 0.00 0.00 0.00 178.15 179.33 1bk5 h SER 366 N 0.80 0.07 -0.00 1.72 4.64 -0.25 0.29 113.55 120.82 1bk5 h SER 366 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1bk5 h SER 366 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1bk5 h SER 366 CO -0.03 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1bk5 n ASN 367 N -4.47 0.25 -0.09 4.97 3.02 -0.82 -2.33 115.26 115.80 1bk5 n ASN 367 Ca 0.04 -1.09 -0.12 0.00 -0.03 0.00 0.00 54.58 53.38 1bk5 n ASN 367 Cb 0.31 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.38 1bk5 n ASN 367 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1bk5 n ILE 368 N -0.80 1.11 1.08 2.41 5.41 0.87 -4.27 119.36 125.16 1bk5 n ILE 368 Ca 0.23 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.59 1bk5 n ILE 368 Cb 0.15 -1.01 0.58 0.00 -0.71 0.00 0.00 39.64 38.66 1bk5 n ILE 368 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1bk5 n THR 369 N -2.92 0.27 1.18 1.39 -2.24 -0.20 -1.72 114.28 110.04 1bk5 n THR 369 Ca -0.32 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1bk5 n THR 369 Cb 0.91 -0.68 0.31 0.00 -2.10 0.00 0.00 70.33 68.77 1bk5 n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bk5 n ALA 370 N -1.31 2.50 -1.95 6.98 0.00 -0.98 -3.86 120.51 121.89 1bk5 n ALA 370 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1bk5 n ALA 370 Cb 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1bk5 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bk5 n GLY 371 N 1.07 1.82 3.66 0.00 0.00 -0.70 -5.07 105.19 105.98 1bk5 n GLY 371 Ca 0.14 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1bk5 n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bk5 s ASN 372 N -1.00 1.27 0.18 1.61 2.20 -1.26 -4.80 114.94 113.15 1bk5 s ASN 372 Ca 0.00 0.50 -0.13 0.00 -0.94 0.00 0.00 52.86 52.29 1bk5 s ASN 372 Cb 0.00 -0.66 0.09 0.00 -2.00 0.00 0.00 41.25 38.69 1bk5 s ASN 372 CO 0.00 -3.89 1.85 0.74 -2.94 0.00 0.00 177.10 172.86 1bk5 h THR 373 N -2.43 1.15 -0.79 0.54 2.02 -1.96 -2.04 112.91 109.41 1bk5 h THR 373 Ca -0.44 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1bk5 h THR 373 Cb 1.28 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1bk5 h THR 373 CO 0.33 0.15 0.50 -0.33 0.37 0.00 0.00 175.52 176.53 1bk5 h GLU 374 N 0.81 1.05 -0.38 6.66 4.39 -1.98 0.13 114.58 125.26 1bk5 h GLU 374 Ca 0.22 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1bk5 h GLU 374 Cb -0.09 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.31 1bk5 h GLU 374 CO -0.05 0.72 -0.05 1.96 -1.16 0.00 0.00 179.01 180.43 1bk5 h GLN 375 N 1.07 0.62 -0.29 2.33 4.20 -1.82 0.18 115.11 121.41 1bk5 h GLN 375 Ca 0.29 -0.16 -0.18 0.00 0.06 0.00 0.00 58.65 58.66 1bk5 h GLN 375 Cb -0.08 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1bk5 h GLN 375 CO -0.06 0.68 -0.52 0.82 -0.67 0.00 0.00 178.83 179.08 1bk5 h ILE 376 N 0.58 1.28 -0.18 2.54 2.04 -0.68 -2.14 117.51 120.94 1bk5 h ILE 376 Ca 0.11 -1.71 -0.08 0.00 1.00 0.00 0.00 64.86 64.19 1bk5 h ILE 376 Cb 0.44 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1bk5 h ILE 376 CO 0.02 0.56 -0.22 -0.61 0.00 0.00 0.00 178.15 177.89 1bk5 h GLN 377 N 0.65 0.33 -0.44 2.37 5.75 -0.20 -1.71 115.11 121.85 1bk5 h GLN 377 Ca 0.02 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1bk5 h GLN 377 Cb 1.11 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 1bk5 h GLN 377 CO 0.11 0.54 0.04 0.00 -2.65 0.00 0.00 178.83 176.87 1bk5 h ALA 378 N 1.47 0.59 -0.87 3.38 0.00 -0.43 0.18 119.26 123.59 1bk5 h ALA 378 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bk5 h ALA 378 Cb 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1bk5 h ALA 378 CO 0.04 0.34 0.55 0.28 0.00 0.00 0.00 179.25 180.47 1bk5 h VAL 379 N 0.60 1.23 0.02 0.00 2.07 -0.96 -1.19 116.25 118.02 1bk5 h VAL 379 Ca 0.13 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1bk5 h VAL 379 Cb 0.44 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1bk5 h VAL 379 CO 0.02 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.23 1bk5 h ILE 380 N 1.19 1.16 -0.01 4.57 2.04 -0.95 -2.93 117.51 122.58 1bk5 h ILE 380 Ca 0.32 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1bk5 h ILE 380 Cb -0.10 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bk5 h ILE 380 CO -0.06 0.15 0.01 0.44 0.00 0.00 0.00 178.15 178.68 1bk5 h ASP 381 N -0.28 0.00 0.02 1.72 3.32 -0.31 -0.02 116.42 120.87 1bk5 h ASP 381 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bk5 h ASP 381 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1bk5 h ASP 381 CO 0.01 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1bk5 n ALA 382 N -2.36 2.67 -3.03 3.45 0.00 -0.48 -4.91 120.51 115.85 1bk5 n ALA 382 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 1bk5 n ALA 382 Cb 0.09 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.10 1bk5 n ALA 382 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bk5 n ASN 383 N -0.89 -5.07 0.15 0.00 3.02 -0.02 -4.88 115.26 107.56 1bk5 n ASN 383 Ca 0.23 -0.29 0.12 0.00 -0.03 0.00 0.00 54.58 54.61 1bk5 n ASN 383 Cb 0.14 -3.82 0.11 0.00 -0.61 0.00 0.00 39.78 35.61 1bk5 n ASN 383 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bk5 h LEU 384 N -1.45 0.00 -0.06 3.41 4.07 -1.69 -3.39 115.31 116.21 1bk5 h LEU 384 Ca -0.40 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.53 1bk5 h LEU 384 Cb 1.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1bk5 h LEU 384 CO 0.42 0.01 0.02 0.40 -1.08 0.00 0.00 178.44 178.21 1bk5 h ILE 385 N 0.00 1.15 -0.15 1.22 1.08 -1.86 -2.39 117.51 116.56 1bk5 h ILE 385 Ca 0.00 -0.43 0.05 0.00 -0.39 0.00 0.00 64.86 64.08 1bk5 h ILE 385 Cb 0.95 1.33 -0.06 0.00 -3.07 0.00 0.00 36.82 35.98 1bk5 h ILE 385 CO 0.00 0.12 -0.22 -0.65 -0.69 0.00 0.00 178.15 176.71 1bk5 h PRO 386 N -0.08 -0.26 -0.07 2.37 0.11 -1.92 0.37 132.00 132.52 1bk5 h PRO 386 Ca 0.02 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1bk5 h PRO 386 Cb 0.18 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1bk5 h PRO 386 CO -0.00 -0.17 -0.08 -1.00 -0.21 0.00 0.00 178.00 176.53 1bk5 h PRO 387 N -0.27 0.10 -0.42 1.05 0.13 -1.80 -0.65 132.00 130.15 1bk5 h PRO 387 Ca 0.11 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1bk5 h PRO 387 Cb 0.43 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1bk5 h PRO 387 CO -0.30 0.19 -0.07 1.25 -0.23 0.00 0.00 178.00 178.84 1bk5 h LEU 388 N 0.10 0.78 -0.92 1.56 5.85 -0.73 -1.71 115.31 120.24 1bk5 h LEU 388 Ca 0.02 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 1bk5 h LEU 388 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1bk5 h LEU 388 CO 0.01 0.94 -0.35 0.58 -0.34 0.00 0.00 178.44 179.28 1bk5 h VAL 389 N 0.61 1.29 -0.47 1.05 2.07 0.67 -1.76 116.25 119.71 1bk5 h VAL 389 Ca 0.11 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.08 1bk5 h VAL 389 Cb 0.58 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1bk5 h VAL 389 CO 0.03 0.44 -0.20 0.50 0.02 0.00 0.00 177.57 178.37 1bk5 h LYS 390 N 0.31 0.97 -0.29 1.57 1.63 -0.93 -2.74 116.57 117.08 1bk5 h LYS 390 Ca 0.04 -0.41 -0.14 0.00 -0.85 0.00 0.00 60.65 59.29 1bk5 h LYS 390 Cb 0.77 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1bk5 h LYS 390 CO 0.06 1.08 -0.38 -0.07 -3.45 0.00 0.00 179.45 176.69 1bk5 h LEU 391 N 0.82 0.72 -1.72 5.20 3.38 -1.14 -1.14 115.31 121.44 1bk5 h LEU 391 Ca 0.11 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1bk5 h LEU 391 Cb 0.77 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1bk5 h LEU 391 CO 0.06 1.03 0.33 0.25 0.09 0.00 0.00 178.44 180.20 1bk5 h LEU 392 N 0.57 0.30 0.14 1.67 6.46 -1.18 -0.71 115.31 122.55 1bk5 h LEU 392 Ca 0.05 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.46 1bk5 h LEU 392 Cb 0.91 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1bk5 h LEU 392 CO 0.08 0.19 -1.90 1.05 -0.62 0.00 0.00 178.44 177.24 1bk5 h GLU 393 N 0.34 0.29 0.00 1.25 4.11 -1.15 -3.44 114.58 115.98 1bk5 h GLU 393 Ca 0.22 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1bk5 h GLU 393 Cb 0.41 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1bk5 h GLU 393 CO -0.05 1.20 -0.72 1.33 0.07 0.00 0.00 179.01 180.85 1bk5 n VAL 394 N -3.49 0.00 -1.07 -1.06 0.24 -0.47 -5.07 118.33 107.42 1bk5 n VAL 394 Ca -0.29 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.46 1bk5 n VAL 394 Cb 1.06 0.75 0.20 0.00 -1.47 0.00 0.00 33.84 34.38 1bk5 n VAL 394 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bk5 s ALA 395 N -2.00 0.63 0.80 2.33 0.00 -0.29 -5.00 121.76 118.24 1bk5 s ALA 395 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1bk5 s ALA 395 Cb 0.05 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.18 1bk5 s ALA 395 CO 0.30 -3.19 1.13 -1.21 0.00 0.00 0.00 175.76 172.79 1bk5 s GLU 396 N -5.02 1.85 0.19 0.00 0.41 -1.26 -4.67 118.70 110.20 1bk5 s GLU 396 Ca 0.67 1.44 -0.13 0.00 -0.41 0.00 0.00 54.97 56.54 1bk5 s GLU 396 Cb -0.17 -1.83 0.18 0.00 -1.78 0.00 0.00 34.13 30.53 1bk5 s GLU 396 CO 0.58 -1.99 1.73 -0.92 -0.49 0.00 0.00 175.26 174.17 1bk5 h TYR 397 N -1.11 0.25 -0.31 1.61 3.20 -1.97 -0.69 116.97 117.95 1bk5 h TYR 397 Ca -0.44 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.54 1bk5 h TYR 397 Cb 1.26 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1bk5 h TYR 397 CO 0.53 0.05 0.33 1.57 -1.64 0.00 0.00 178.16 179.00 1bk5 h LYS 398 N 0.30 0.00 0.07 1.82 2.10 -2.00 0.75 116.57 119.61 1bk5 h LYS 398 Ca 0.25 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.59 1bk5 h LYS 398 Cb 0.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1bk5 h LYS 398 CO -0.28 0.00 -1.68 2.41 -2.00 0.00 0.00 179.45 177.90 1bk5 n THR 399 N -3.78 1.68 -0.27 0.07 -1.04 -0.54 -3.70 114.28 106.71 1bk5 n THR 399 Ca 0.05 -0.39 0.05 0.00 -2.04 0.00 0.00 64.05 61.72 1bk5 n THR 399 Cb 0.48 -1.87 0.19 0.00 -1.82 0.00 0.00 70.33 67.31 1bk5 n THR 399 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1bk5 h LYS 400 N -0.39 0.55 -0.79 -2.82 1.57 -0.23 0.21 116.57 114.66 1bk5 h LYS 400 Ca -0.39 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1bk5 h LYS 400 Cb 1.72 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.83 1bk5 h LYS 400 CO -0.04 0.37 0.41 -0.22 -0.57 0.00 0.00 179.45 179.39 1bk5 h LYS 401 N 0.57 0.63 -0.17 3.15 3.64 -1.04 0.35 116.57 123.70 1bk5 h LYS 401 Ca 0.41 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.55 1bk5 h LYS 401 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1bk5 h LYS 401 CO -0.34 0.42 -0.70 1.49 -2.27 0.00 0.00 179.45 178.04 1bk5 h GLU 402 N 0.65 0.70 -0.49 1.90 4.57 -0.79 -2.70 114.58 118.41 1bk5 h GLU 402 Ca 0.40 -0.53 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1bk5 h GLU 402 Cb 0.48 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1bk5 h GLU 402 CO -0.30 1.15 0.05 0.00 -1.18 0.00 0.00 179.01 178.72 1bk5 h ALA 403 N 0.71 1.17 -0.31 2.92 0.00 0.16 -2.36 119.26 121.55 1bk5 h ALA 403 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bk5 h ALA 403 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bk5 h ALA 403 CO 0.14 0.55 0.15 0.00 0.00 0.00 0.00 179.25 180.09 1bk5 h TRP 405 N 0.36 0.51 -0.25 0.00 4.06 -1.26 0.47 115.95 119.84 1bk5 h TRP 405 Ca 0.11 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.10 1bk5 h TRP 405 Cb 0.11 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 1bk5 h TRP 405 CO -0.02 0.29 0.09 0.00 -3.56 0.00 0.00 178.44 175.24 1bk5 h ALA 406 N 1.21 0.28 -0.31 1.49 0.00 -1.14 0.37 119.26 121.16 1bk5 h ALA 406 Ca 0.19 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1bk5 h ALA 406 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bk5 h ALA 406 CO -0.09 -0.32 -0.39 0.82 0.00 0.00 0.00 179.25 179.26 1bk5 h ILE 407 N 0.20 1.29 -0.35 0.00 2.04 -0.97 -2.13 117.51 117.59 1bk5 h ILE 407 Ca 0.11 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 1bk5 h ILE 407 Cb 0.07 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1bk5 h ILE 407 CO -0.11 0.51 0.11 -1.28 0.00 0.00 0.00 178.15 177.38 1bk5 h SER 408 N 0.58 0.52 -0.97 1.72 0.87 0.18 -1.73 113.55 114.72 1bk5 h SER 408 Ca 0.04 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1bk5 h SER 408 Cb 0.98 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 1bk5 h SER 408 CO 0.09 0.59 0.64 0.78 -0.53 0.00 0.00 176.83 178.41 1bk5 h ASN 409 N 0.42 1.11 -0.77 6.23 2.35 -0.24 -1.99 115.58 122.69 1bk5 h ASN 409 Ca 0.11 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1bk5 h ASN 409 Cb 0.26 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1bk5 h ASN 409 CO -0.00 0.80 0.50 0.00 -1.65 0.00 0.00 177.43 177.07 1bk5 h ALA 410 N 1.40 0.99 0.00 -0.83 0.00 -0.94 -2.07 119.26 117.81 1bk5 h ALA 410 Ca 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1bk5 h ALA 410 Cb -0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1bk5 h ALA 410 CO -0.08 0.33 -0.11 0.66 0.00 0.00 0.00 179.25 180.05 1bk5 h SER 411 N 0.98 0.00 0.33 0.00 4.64 -0.57 -0.90 113.55 118.04 1bk5 h SER 411 Ca 0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1bk5 h SER 411 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1bk5 h SER 411 CO -0.09 0.11 -0.17 0.28 -0.87 0.00 0.00 176.83 176.08 1bk5 h SER 412 N 0.00 0.00 0.53 4.97 0.02 -1.10 0.15 113.55 118.12 1bk5 h SER 412 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bk5 h SER 412 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1bk5 h SER 412 CO 0.01 0.17 -0.07 0.61 -1.14 0.00 0.00 176.83 176.42 1bk5 n GLY 413 N -0.72 -1.17 0.21 -3.77 0.00 -0.35 -3.45 105.19 95.95 1bk5 n GLY 413 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.87 1bk5 n GLY 413 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bk5 h GLY 414 N 4.99 0.00 0.43 -0.02 0.00 -0.67 -2.76 103.07 105.03 1bk5 h GLY 414 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1bk5 h GLY 414 CO 0.00 0.00 -0.10 -2.00 0.00 0.00 0.00 176.54 174.44 1bk5 h LEU 415 N 0.00 -0.35 0.30 3.11 5.85 -1.68 -1.99 115.31 120.54 1bk5 h LEU 415 Ca -0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1bk5 h LEU 415 Cb 0.64 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1bk5 h LEU 415 CO 0.04 -0.14 -0.14 1.56 -0.34 0.00 0.00 178.44 179.42 1bk5 h GLN 416 N -0.07 -0.38 -3.91 1.25 4.20 -1.78 -3.39 115.11 111.02 1bk5 h GLN 416 Ca 0.12 0.03 -0.76 0.00 0.06 0.00 0.00 58.65 58.10 1bk5 h GLN 416 Cb 0.26 0.09 -0.28 0.00 0.30 0.00 0.00 27.48 27.85 1bk5 h GLN 416 CO -0.28 -0.26 -0.11 1.03 -0.67 0.00 0.00 178.83 178.54 1bk5 s ARG 417 N -3.23 3.15 0.54 1.46 0.52 -1.05 -4.92 118.95 115.42 1bk5 s ARG 417 Ca -0.06 -2.23 0.23 0.00 -0.52 0.00 0.00 55.73 53.15 1bk5 s ARG 417 Cb 0.01 -4.22 1.23 0.00 0.52 0.00 0.00 34.95 32.49 1bk5 s ARG 417 CO 0.17 -1.27 1.66 -1.00 0.02 0.00 0.00 175.30 174.88 1bk5 h PRO 418 N 7.97 0.00 0.00 3.54 0.13 -1.56 0.42 132.00 142.50 1bk5 h PRO 418 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1bk5 h PRO 418 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1bk5 h PRO 418 CO 0.82 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.15 1bk5 h ASP 419 N 0.00 0.00 -0.13 1.44 5.19 -1.91 -2.07 116.42 118.93 1bk5 h ASP 419 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1bk5 h ASP 419 Cb 0.69 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 1bk5 h ASP 419 CO 0.00 0.00 -0.06 0.40 -3.12 0.00 0.00 179.24 176.46 1bk5 h ILE 420 N 0.00 1.31 0.05 0.35 2.04 -1.22 0.08 117.51 120.12 1bk5 h ILE 420 Ca 0.00 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1bk5 h ILE 420 Cb 0.63 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1bk5 h ILE 420 CO 0.00 0.31 -0.02 0.40 0.00 0.00 0.00 178.15 178.84 1bk5 h ILE 421 N -0.06 1.02 -1.00 -0.67 1.08 -1.65 0.45 117.51 116.68 1bk5 h ILE 421 Ca 0.03 -0.21 0.10 0.00 -0.39 0.00 0.00 64.86 64.39 1bk5 h ILE 421 Cb 0.52 1.16 -0.08 0.00 -3.07 0.00 0.00 36.82 35.35 1bk5 h ILE 421 CO 0.02 0.05 0.64 0.03 -0.69 0.00 0.00 178.15 178.20 1bk5 h ARG 422 N -0.16 1.02 -0.22 2.37 3.08 -1.36 -0.28 114.38 118.83 1bk5 h ARG 422 Ca -0.01 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1bk5 h ARG 422 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1bk5 h ARG 422 CO 0.01 0.67 0.00 -0.92 -1.07 0.00 0.00 179.97 178.67 1bk5 h TYR 423 N 1.05 0.42 -0.48 3.04 3.20 -0.51 -1.21 116.97 122.48 1bk5 h TYR 423 Ca 0.48 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.34 1bk5 h TYR 423 Cb 0.39 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1bk5 h TYR 423 CO -0.00 0.56 0.17 -0.07 -1.64 0.00 0.00 178.16 177.18 1bk5 h LEU 424 N 0.15 0.17 -1.09 2.82 3.38 -0.10 -0.93 115.31 119.70 1bk5 h LEU 424 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1bk5 h LEU 424 Cb 0.40 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1bk5 h LEU 424 CO 0.01 0.13 0.31 0.58 0.09 0.00 0.00 178.44 179.56 1bk5 h VAL 425 N 0.34 1.22 0.00 1.22 2.07 -0.99 -2.12 116.25 118.00 1bk5 h VAL 425 Ca 0.23 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bk5 h VAL 425 Cb 0.24 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1bk5 h VAL 425 CO -0.23 0.26 -0.17 0.77 0.02 0.00 0.00 177.57 178.22 1bk5 h SER 426 N 0.95 0.00 -0.27 0.57 4.64 0.07 -1.37 113.55 118.13 1bk5 h SER 426 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1bk5 h SER 426 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1bk5 h SER 426 CO -0.03 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1bk5 n GLN 427 N -4.02 1.67 -2.99 4.77 1.13 -0.67 -4.93 117.38 112.34 1bk5 n GLN 427 Ca -0.02 -1.03 -0.12 0.00 -1.94 0.00 0.00 57.00 53.89 1bk5 n GLN 427 Cb 0.25 -1.25 0.04 0.00 0.11 0.00 0.00 30.24 29.39 1bk5 n GLN 427 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bk5 n GLY 428 N 0.98 0.20 0.21 1.08 0.00 -0.52 -4.94 105.19 102.20 1bk5 n GLY 428 Ca 0.11 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1bk5 n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk5 h ILE 430 N 0.00 0.22 -0.18 0.00 2.04 -1.85 -2.27 117.51 115.47 1bk5 h ILE 430 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1bk5 h ILE 430 Cb 1.03 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1bk5 h ILE 430 CO 0.02 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.56 1bk5 h LYS 431 N -0.84 -0.10 -0.12 2.37 1.63 -1.92 -0.77 116.57 116.83 1bk5 h LYS 431 Ca -0.04 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1bk5 h LYS 431 Cb 0.73 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1bk5 h LYS 431 CO -0.02 -0.07 -0.12 -1.35 -3.45 0.00 0.00 179.45 174.45 1bk5 h PRO 432 N -0.10 0.18 -0.28 1.90 0.11 -1.75 -2.03 132.00 130.03 1bk5 h PRO 432 Ca 0.11 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1bk5 h PRO 432 Cb 0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1bk5 h PRO 432 CO -0.25 0.31 -0.12 1.25 -0.21 0.00 0.00 178.00 178.98 1bk5 h LEU 433 N 0.17 0.59 -0.17 2.35 5.85 -0.84 -2.09 115.31 121.18 1bk5 h LEU 433 Ca 0.04 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1bk5 h LEU 433 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1bk5 h LEU 433 CO 0.02 0.86 0.05 0.00 -0.34 0.00 0.00 178.44 179.03 1bk5 h ASP 435 N 0.09 0.63 -0.87 0.00 3.32 -1.40 -1.75 116.42 116.44 1bk5 h ASP 435 Ca 0.05 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.20 1bk5 h ASP 435 Cb 0.22 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1bk5 h ASP 435 CO -0.00 0.45 0.56 0.25 -1.72 0.00 0.00 179.24 178.78 1bk5 h LEU 436 N 0.74 0.73 -1.87 1.55 5.85 -1.15 -1.45 115.31 119.71 1bk5 h LEU 436 Ca 0.22 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.21 1bk5 h LEU 436 Cb -0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1bk5 h LEU 436 CO -0.06 0.42 0.62 -0.07 -0.34 0.00 0.00 178.44 179.01 1bk5 h LEU 437 N 0.80 0.10 -0.79 2.25 3.38 -1.30 0.26 115.31 120.01 1bk5 h LEU 437 Ca 0.41 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1bk5 h LEU 437 Cb 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1bk5 h LEU 437 CO -0.18 0.04 -0.44 -0.08 0.09 0.00 0.00 178.44 177.87 1bk5 h GLU 438 N 0.10 0.00 -0.00 1.13 4.57 -1.40 -3.33 114.58 115.65 1bk5 h GLU 438 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1bk5 h GLU 438 Cb 1.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 1bk5 h GLU 438 CO -0.05 0.44 -0.04 0.44 -1.18 0.00 0.00 179.01 178.62 1bk5 n ILE 439 N -3.54 0.00 -2.47 2.32 -5.35 -0.42 -5.07 119.36 104.84 1bk5 n ILE 439 Ca -0.00 -0.48 -0.33 0.00 -0.27 0.00 0.00 62.75 61.67 1bk5 n ILE 439 Cb 0.56 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1bk5 n ILE 439 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bk5 s ALA 440 N -0.70 2.92 0.75 -1.28 0.00 -0.05 -5.06 121.76 118.33 1bk5 s ALA 440 Ca 0.01 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1bk5 s ALA 440 Cb 0.01 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1bk5 s ALA 440 CO 0.05 -0.30 1.12 0.16 0.00 0.00 0.00 175.76 176.79 1bk5 s ASP 441 N -2.43 5.06 0.34 0.00 1.47 -1.26 -4.74 116.67 115.12 1bk5 s ASP 441 Ca 0.63 1.06 0.07 0.00 1.18 0.00 0.00 52.55 55.50 1bk5 s ASP 441 Cb -0.13 -1.77 0.75 0.00 -0.34 0.00 0.00 42.92 41.43 1bk5 s ASP 441 CO 0.24 -1.58 1.88 0.78 0.68 0.00 0.00 175.17 177.17 1bk5 h ASN 442 N -0.82 0.71 -0.51 2.11 2.35 -1.99 -0.31 115.58 117.12 1bk5 h ASN 442 Ca -0.46 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 1bk5 h ASN 442 Cb 1.28 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1bk5 h ASN 442 CO 0.64 0.38 -0.11 0.08 -1.65 0.00 0.00 177.43 176.78 1bk5 h ARG 443 N 0.76 0.99 -0.13 0.81 0.11 -2.00 -1.61 114.38 113.31 1bk5 h ARG 443 Ca 0.43 -0.36 -0.16 0.00 0.10 0.00 0.00 59.98 60.00 1bk5 h ARG 443 Cb 0.58 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1bk5 h ARG 443 CO -0.19 1.03 -0.58 0.82 0.10 0.00 0.00 179.97 181.15 1bk5 h ILE 444 N 0.88 1.35 -0.89 0.08 1.08 -1.75 -1.73 117.51 116.53 1bk5 h ILE 444 Ca 0.14 -1.88 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 1bk5 h ILE 444 Cb 0.66 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 1bk5 h ILE 444 CO 0.05 0.57 0.55 0.40 -0.69 0.00 0.00 178.15 179.03 1bk5 h ILE 445 N 0.32 1.24 -0.44 -0.67 2.04 -0.84 0.36 117.51 119.52 1bk5 h ILE 445 Ca -0.00 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1bk5 h ILE 445 Cb 1.11 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1bk5 h ILE 445 CO 0.10 0.25 0.17 -0.33 0.00 0.00 0.00 178.15 178.34 1bk5 h GLU 446 N 1.21 0.65 -0.59 2.37 5.08 -1.01 0.20 114.58 122.50 1bk5 h GLU 446 Ca 0.32 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1bk5 h GLU 446 Cb -0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1bk5 h GLU 446 CO -0.06 0.60 0.33 0.28 -1.00 0.00 0.00 179.01 179.16 1bk5 h VAL 447 N 0.56 1.19 -0.46 3.13 2.07 -0.64 -1.91 116.25 120.19 1bk5 h VAL 447 Ca 0.14 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1bk5 h VAL 447 Cb 0.20 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1bk5 h VAL 447 CO -0.01 0.20 0.02 0.74 0.02 0.00 0.00 177.57 178.54 1bk5 h THR 448 N 0.80 1.26 0.00 2.57 2.02 0.04 -2.14 112.91 117.45 1bk5 h THR 448 Ca 0.21 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1bk5 h THR 448 Cb 0.03 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1bk5 h THR 448 CO -0.04 0.35 -0.06 -0.07 0.37 0.00 0.00 175.52 176.08 1bk5 h LEU 449 N 0.66 0.00 0.13 2.58 3.38 -0.34 0.09 115.31 121.81 1bk5 h LEU 449 Ca 0.13 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 1bk5 h LEU 449 Cb 0.47 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.25 1bk5 h LEU 449 CO 0.02 0.06 -1.04 0.44 0.09 0.00 0.00 178.44 178.01 1bk5 h ASP 450 N 0.00 0.69 0.08 -0.43 3.32 -1.05 -1.02 116.42 118.00 1bk5 h ASP 450 Ca -0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1bk5 h ASP 450 Cb 0.38 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1bk5 h ASP 450 CO 0.01 1.49 -0.08 0.00 -1.72 0.00 0.00 179.24 178.94 1bk5 h ALA 451 N 0.20 -0.15 -0.80 3.45 0.00 -0.79 0.82 119.26 121.99 1bk5 h ALA 451 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bk5 h ALA 451 Cb 1.77 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1bk5 h ALA 451 CO 0.20 -0.60 0.50 -0.07 0.00 0.00 0.00 179.25 179.28 1bk5 h LEU 452 N -0.17 0.94 -0.85 0.00 3.38 -1.06 -0.70 115.31 116.85 1bk5 h LEU 452 Ca 0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1bk5 h LEU 452 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1bk5 h LEU 452 CO -0.03 0.71 -0.57 -0.08 0.09 0.00 0.00 178.44 178.57 1bk5 h GLU 453 N 1.09 0.00 -0.02 1.13 4.81 -0.71 0.57 114.58 121.46 1bk5 h GLU 453 Ca 0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1bk5 h GLU 453 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1bk5 h GLU 453 CO -0.06 0.57 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.84 1bk5 h ASN 454 N 0.00 0.06 -0.73 1.04 2.35 -0.13 -0.38 115.58 117.79 1bk5 h ASN 454 Ca -0.01 -0.58 0.09 0.00 -0.55 0.00 0.00 56.30 55.25 1bk5 h ASN 454 Cb 1.02 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.30 1bk5 h ASN 454 CO 0.07 0.63 0.39 0.40 -1.65 0.00 0.00 177.43 177.27 1bk5 h ILE 455 N -0.51 0.88 -0.60 2.81 2.04 -1.08 -0.69 117.51 120.36 1bk5 h ILE 455 Ca 0.00 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1bk5 h ILE 455 Cb 0.62 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1bk5 h ILE 455 CO 0.01 0.12 0.03 0.25 0.00 0.00 0.00 178.15 178.56 1bk5 h LEU 456 N 0.67 0.99 -0.84 1.44 5.85 -0.83 -1.42 115.31 121.17 1bk5 h LEU 456 Ca 0.35 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1bk5 h LEU 456 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1bk5 h LEU 456 CO -0.25 1.03 0.19 0.11 -0.34 0.00 0.00 178.44 179.19 1bk5 h LYS 457 N 0.95 1.05 -0.06 1.25 1.57 -0.07 -1.69 116.57 119.57 1bk5 h LYS 457 Ca 0.18 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1bk5 h LYS 457 Cb 0.51 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1bk5 h LYS 457 CO 0.02 0.91 0.02 1.98 -0.57 0.00 0.00 179.45 181.82 1bk5 h MET 458 N 1.01 0.10 0.00 3.15 4.05 -0.81 -0.16 114.93 122.27 1bk5 h MET 458 Ca 0.22 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1bk5 h MET 458 Cb 0.31 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1bk5 h MET 458 CO -0.00 0.25 -0.01 0.78 0.23 0.00 0.00 176.91 178.16 1bk5 h GLY 459 N -0.07 0.00 0.56 1.39 0.00 -1.04 -1.58 103.07 102.32 1bk5 h GLY 459 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1bk5 h GLY 459 CO -0.00 0.00 -0.37 -2.09 0.00 0.00 0.00 176.54 174.08 1bk5 h GLU 460 N 0.00 0.25 -0.15 4.80 4.57 -0.79 -2.69 114.58 120.57 1bk5 h GLU 460 Ca -0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1bk5 h GLU 460 Cb 0.02 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1bk5 h GLU 460 CO 0.00 0.98 0.09 0.00 -1.18 0.00 0.00 179.01 178.91 1bk5 h ALA 461 N 0.28 0.19 -0.30 2.92 0.00 -0.49 -2.48 119.26 119.37 1bk5 h ALA 461 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1bk5 h ALA 461 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1bk5 h ALA 461 CO 0.07 -0.33 -0.03 -0.44 0.00 0.00 0.00 179.25 178.52 1bk5 h ASP 462 N 0.20 0.45 0.33 0.00 3.32 -1.41 0.17 116.42 119.46 1bk5 h ASP 462 Ca 0.06 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1bk5 h ASP 462 Cb -0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1bk5 h ASP 462 CO -0.02 0.54 -0.11 0.50 -1.72 0.00 0.00 179.24 178.43 1bk5 h LYS 463 N 0.46 0.00 0.04 3.56 3.64 -1.14 -1.18 116.57 121.96 1bk5 h LYS 463 Ca 0.10 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1bk5 h LYS 463 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1bk5 h LYS 463 CO 0.01 0.11 -0.94 1.49 -2.27 0.00 0.00 179.45 177.86 1bk5 h GLU 464 N 0.00 0.09 0.00 1.90 4.81 -0.77 -3.19 114.58 117.42 1bk5 h GLU 464 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1bk5 h GLU 464 Cb 0.30 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1bk5 h GLU 464 CO 0.01 1.07 0.00 0.00 -0.73 0.00 0.00 179.01 179.37 1bk5 h ALA 465 N -0.19 1.00 -1.76 2.92 0.00 -0.49 -3.41 119.26 117.33 1bk5 h ALA 465 Ca -0.23 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 1bk5 h ALA 465 Cb 1.38 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1bk5 h ALA 465 CO -0.05 0.00 -0.61 1.03 0.00 0.00 0.00 179.25 179.62 1bk5 s ARG 466 N -3.89 1.97 0.00 0.00 0.52 -0.46 -5.02 118.95 112.06 1bk5 s ARG 466 Ca -0.03 -1.99 0.23 0.00 -0.52 0.00 0.00 55.73 53.42 1bk5 s ARG 466 Cb 0.10 -1.74 1.13 0.00 0.52 0.00 0.00 34.95 34.97 1bk5 s ARG 466 CO 0.35 0.02 1.76 0.41 0.02 0.00 0.00 175.30 177.85 1bk5 n GLY 467 N -0.95 -0.51 3.40 -3.53 0.00 -1.26 -4.73 105.19 97.62 1bk5 n GLY 467 Ca -0.04 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1bk5 n GLY 467 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bk5 n LEU 468 N -0.39 -0.92 -1.63 0.99 4.77 -1.21 -4.89 117.00 113.73 1bk5 n LEU 468 Ca 0.17 0.86 -0.16 0.00 -0.03 0.00 0.00 56.01 56.85 1bk5 n LEU 468 Cb 0.18 -1.04 0.09 0.00 -2.33 0.00 0.00 43.42 40.33 1bk5 n LEU 468 CO 0.13 -3.34 0.41 0.59 -1.33 0.00 0.00 177.39 173.86 1bk5 n ASN 469 N 1.58 4.16 -3.65 -1.43 3.02 -1.26 -4.75 115.26 112.92 1bk5 n ASN 469 Ca 0.11 -3.80 -0.14 0.00 -0.03 0.00 0.00 54.58 50.73 1bk5 n ASN 469 Cb 0.40 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 39.01 1bk5 n ASN 469 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bk5 s ILE 470 N -4.14 0.00 -0.80 2.41 1.01 -1.26 -5.10 121.20 113.31 1bk5 s ILE 470 Ca 0.49 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.96 1bk5 s ILE 470 Cb 0.41 -0.91 0.15 0.00 0.01 0.00 0.00 42.46 42.12 1bk5 s ILE 470 CO 0.01 -0.00 0.90 0.21 0.00 0.00 0.00 174.94 176.06 1bk5 s ASN 471 N 0.31 6.54 0.30 3.58 3.84 -1.26 -4.74 114.94 123.51 1bk5 s ASN 471 Ca -0.00 -2.05 0.02 0.00 0.21 0.00 0.00 52.86 51.03 1bk5 s ASN 471 Cb -0.04 -2.32 0.75 0.00 -0.55 0.00 0.00 41.25 39.08 1bk5 s ASN 471 CO 0.01 -0.94 1.59 -0.33 -2.79 0.00 0.00 177.10 174.64 1bk5 h GLU 472 N 8.63 0.04 -0.63 0.43 5.08 -1.99 0.17 114.58 126.32 1bk5 h GLU 472 Ca 0.01 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1bk5 h GLU 472 Cb 1.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1bk5 h GLU 472 CO 1.00 0.03 0.06 -0.91 -1.00 0.00 0.00 179.01 178.19 1bk5 h ASN 473 N 0.04 1.02 -0.59 1.42 2.35 -1.90 0.53 115.58 118.46 1bk5 h ASN 473 Ca 0.59 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1bk5 h ASN 473 Cb 1.22 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1bk5 h ASN 473 CO -0.86 1.04 0.31 0.00 -1.65 0.00 0.00 177.43 176.27 1bk5 h ALA 474 N 1.07 1.38 -0.17 -0.83 0.00 -1.05 0.73 119.26 120.39 1bk5 h ALA 474 Ca 0.19 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1bk5 h ALA 474 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bk5 h ALA 474 CO 0.02 0.49 -0.60 0.22 0.00 0.00 0.00 179.25 179.38 1bk5 h ASP 475 N 0.87 0.64 -0.20 0.00 1.82 -0.57 0.35 116.42 119.34 1bk5 h ASP 475 Ca 0.22 -0.36 -0.01 0.00 -0.39 0.00 0.00 57.03 56.48 1bk5 h ASP 475 Cb 0.07 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1bk5 h ASP 475 CO -0.03 1.10 0.07 -0.26 -1.61 0.00 0.00 179.24 178.50 1bk5 h PHE 476 N 0.43 0.32 -0.46 0.28 0.04 -0.19 0.26 116.94 117.62 1bk5 h PHE 476 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bk5 h PHE 476 Cb 1.16 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 1bk5 h PHE 476 CO 0.05 0.39 0.29 0.82 -0.60 0.00 0.00 178.31 179.25 1bk5 h ILE 477 N 0.16 1.13 -0.66 -0.55 2.04 -0.77 0.31 117.51 119.17 1bk5 h ILE 477 Ca 0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1bk5 h ILE 477 Cb 0.21 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1bk5 h ILE 477 CO -0.00 0.13 0.31 -0.08 0.00 0.00 0.00 178.15 178.51 1bk5 h GLU 478 N 0.61 0.94 -0.58 2.37 4.81 -0.72 -1.91 114.58 120.10 1bk5 h GLU 478 Ca 0.17 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1bk5 h GLU 478 Cb -0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1bk5 h GLU 478 CO -0.03 0.73 -0.05 0.87 -0.73 0.00 0.00 179.01 179.80 1bk5 h LYS 479 N 0.93 1.05 0.00 1.92 1.79 -0.29 -2.87 116.57 119.10 1bk5 h LYS 479 Ca 0.23 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1bk5 h LYS 479 Cb 0.11 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1bk5 h LYS 479 CO -0.03 1.05 0.00 0.00 -1.08 0.00 0.00 179.45 179.39 1bk5 n ALA 480 N -2.49 1.66 -0.51 3.86 0.00 0.04 -4.86 120.51 118.22 1bk5 n ALA 480 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1bk5 n ALA 480 Cb 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1bk5 n ALA 480 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bk5 n GLY 481 N -0.00 0.75 0.12 0.00 0.00 -1.01 -4.87 105.19 100.17 1bk5 n GLY 481 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1bk5 n GLY 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bk5 h GLY 482 N 0.00 0.00 0.76 -0.02 0.00 -1.60 -3.20 103.07 99.02 1bk5 h GLY 482 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1bk5 h GLY 482 CO 0.00 0.00 -0.14 1.98 0.00 0.00 0.00 176.54 178.38 1bk5 h MET 483 N 0.00 -0.39 -0.96 4.80 -1.53 -1.82 0.83 114.93 115.86 1bk5 h MET 483 Ca 0.00 0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.29 1bk5 h MET 483 Cb 0.72 0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.81 1bk5 h MET 483 CO 0.00 -0.11 0.62 1.49 0.14 0.00 0.00 176.91 179.05 1bk5 h GLU 484 N -0.65 1.27 -0.61 0.39 4.81 -1.92 0.19 114.58 118.06 1bk5 h GLU 484 Ca -0.04 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1bk5 h GLU 484 Cb 0.46 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1bk5 h GLU 484 CO 0.07 0.86 0.13 0.87 -0.73 0.00 0.00 179.01 180.20 1bk5 h LYS 485 N 1.30 1.00 -0.59 1.92 1.57 -1.53 0.51 116.57 120.75 1bk5 h LYS 485 Ca 0.35 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1bk5 h LYS 485 Cb -0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1bk5 h LYS 485 CO -0.07 0.92 0.21 0.82 -0.57 0.00 0.00 179.45 180.76 1bk5 h ILE 486 N 0.91 1.24 -0.36 1.86 2.04 -0.42 -2.50 117.51 120.28 1bk5 h ILE 486 Ca 0.19 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1bk5 h ILE 486 Cb 0.39 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1bk5 h ILE 486 CO 0.01 0.30 0.03 0.15 0.00 0.00 0.00 178.15 178.64 1bk5 h PHE 487 N 0.83 0.05 -0.64 1.37 3.57 -0.33 -1.53 116.94 120.26 1bk5 h PHE 487 Ca 0.19 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.82 1bk5 h PHE 487 Cb 0.25 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1bk5 h PHE 487 CO 0.01 -0.03 0.43 -0.91 -2.23 0.00 0.00 178.31 175.59 1bk5 h ASN 488 N 0.14 0.43 0.08 0.41 4.21 -0.51 -1.22 115.58 119.12 1bk5 h ASN 488 Ca 0.17 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1bk5 h ASN 488 Cb 0.22 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1bk5 h ASN 488 CO -0.26 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.13 1bk5 h GLN 490 N 0.00 0.00 -0.51 0.00 4.20 -1.27 -0.89 115.11 116.64 1bk5 h GLN 490 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bk5 h GLN 490 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1bk5 h GLN 490 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 1bk5 n GLN 491 N -2.54 3.76 -2.67 1.46 6.02 -0.59 -4.78 117.38 118.03 1bk5 n GLN 491 Ca -0.00 -2.86 -0.35 0.00 -0.01 0.00 0.00 57.00 53.78 1bk5 n GLN 491 Cb 0.14 -1.91 -0.05 0.00 1.02 0.00 0.00 30.24 29.43 1bk5 n GLN 491 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1bk5 s ASN 492 N -1.13 6.77 0.43 1.08 3.84 -0.34 -4.94 114.94 120.65 1bk5 s ASN 492 Ca 0.47 1.86 0.24 0.00 0.21 0.00 0.00 52.86 55.64 1bk5 s ASN 492 Cb 0.33 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 39.29 1bk5 s ASN 492 CO 0.18 -0.48 1.78 1.05 -2.79 0.00 0.00 177.10 176.84 1bk5 h GLU 493 N 2.10 0.00 -6.21 0.43 9.09 -1.93 -3.42 114.58 114.65 1bk5 h GLU 493 Ca -0.49 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.36 1bk5 h GLU 493 Cb 1.20 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 1bk5 h GLU 493 CO 0.61 0.22 0.87 1.21 0.05 0.00 0.00 179.01 181.97 1bk5 s ASN 494 N -6.17 6.94 0.12 3.06 3.84 -1.26 -4.95 114.94 116.51 1bk5 s ASN 494 Ca 0.02 1.79 -0.27 0.00 0.21 0.00 0.00 52.86 54.60 1bk5 s ASN 494 Cb 0.09 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 38.18 1bk5 s ASN 494 CO 0.64 -0.73 1.63 0.44 -2.79 0.00 0.00 177.10 176.29 1bk5 h ASP 495 N 8.12 -0.84 -0.45 -4.21 5.19 -2.00 -1.70 116.42 120.52 1bk5 h ASP 495 Ca -0.30 0.10 0.11 0.00 -0.62 0.00 0.00 57.03 56.32 1bk5 h ASP 495 Cb 1.13 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 40.94 1bk5 h ASP 495 CO 0.94 -0.36 0.32 0.11 -3.12 0.00 0.00 179.24 177.13 1bk5 h LYS 496 N -0.46 0.12 0.18 3.56 1.57 -1.98 -1.58 116.57 117.99 1bk5 h LYS 496 Ca 0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1bk5 h LYS 496 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1bk5 h LYS 496 CO -0.21 0.08 -0.09 0.82 -0.57 0.00 0.00 179.45 179.48 1bk5 h ILE 497 N 0.13 0.10 -0.23 1.86 2.04 -1.78 -2.85 117.51 116.77 1bk5 h ILE 497 Ca 0.21 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1bk5 h ILE 497 Cb 0.68 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1bk5 h ILE 497 CO -0.03 0.03 0.04 0.10 0.00 0.00 0.00 178.15 178.29 1bk5 h TYR 498 N -1.06 0.33 -0.14 1.37 -0.00 -1.23 0.12 116.97 116.36 1bk5 h TYR 498 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.68 1bk5 h TYR 498 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 36.86 1bk5 h TYR 498 CO 0.01 0.31 0.06 0.93 -0.00 0.00 0.00 178.16 179.47 1bk5 h GLU 499 N 0.33 0.20 -0.49 0.10 5.08 -1.43 0.19 114.58 118.55 1bk5 h GLU 499 Ca 0.08 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1bk5 h GLU 499 Cb 0.16 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1bk5 h GLU 499 CO -0.00 0.29 0.12 -0.22 -1.00 0.00 0.00 179.01 178.19 1bk5 h LYS 500 N 0.07 0.25 0.26 2.33 1.63 -1.02 0.13 116.57 120.23 1bk5 h LYS 500 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1bk5 h LYS 500 Cb 0.16 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1bk5 h LYS 500 CO -0.00 0.17 -0.13 0.00 -3.45 0.00 0.00 179.45 176.04 1bk5 h ALA 501 N 1.37 -0.35 -0.69 5.00 0.00 -0.41 0.19 119.26 124.37 1bk5 h ALA 501 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bk5 h ALA 501 Cb 0.31 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1bk5 h ALA 501 CO -0.30 -0.66 0.41 1.88 0.00 0.00 0.00 179.25 180.57 1bk5 h TYR 502 N -0.43 0.76 -0.32 0.00 0.05 -0.66 -0.66 116.97 115.72 1bk5 h TYR 502 Ca -0.04 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1bk5 h TYR 502 Cb 0.32 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1bk5 h TYR 502 CO -0.04 0.41 0.17 0.87 -1.05 0.00 0.00 178.16 178.51 1bk5 h LYS 503 N 0.78 0.34 0.50 4.88 1.57 -0.52 -0.70 116.57 123.42 1bk5 h LYS 503 Ca 0.29 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1bk5 h LYS 503 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1bk5 h LYS 503 CO -0.14 0.22 -0.24 0.82 -0.57 0.00 0.00 179.45 179.54 1bk5 h ILE 504 N 0.35 0.48 -0.55 1.86 2.04 -0.43 -0.74 117.51 120.52 1bk5 h ILE 504 Ca 0.13 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1bk5 h ILE 504 Cb 0.03 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1bk5 h ILE 504 CO -0.08 0.03 0.17 0.40 0.00 0.00 0.00 178.15 178.67 1bk5 h ILE 505 N -0.80 0.76 0.31 -0.67 1.08 -1.07 0.10 117.51 117.22 1bk5 h ILE 505 Ca -0.07 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 1bk5 h ILE 505 Cb 0.57 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1bk5 h ILE 505 CO 0.11 0.06 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.41 1bk5 h GLU 506 N 0.33 -0.40 -0.44 2.37 4.81 -1.10 -0.27 114.58 119.90 1bk5 h GLU 506 Ca 0.28 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1bk5 h GLU 506 Cb 0.35 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1bk5 h GLU 506 CO -0.31 -0.16 0.05 1.15 -0.73 0.00 0.00 179.01 179.02 1bk5 h THR 507 N -0.58 1.21 0.00 0.32 2.02 -0.82 -3.32 112.91 111.75 1bk5 h THR 507 Ca -0.04 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1bk5 h THR 507 Cb 0.42 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1bk5 h THR 507 CO 0.07 0.29 0.00 -1.22 0.37 0.00 0.00 175.52 175.03 1bk5 n TYR 508 N -4.27 0.00 -2.26 3.16 4.02 0.33 -4.77 117.16 113.38 1bk5 n TYR 508 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.75 1bk5 n TYR 508 Cb 0.25 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.60 1bk5 n TYR 508 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1bk5 n PHE 509 N -0.89 2.29 0.49 -0.72 3.01 -0.11 -4.98 117.46 116.56 1bk5 n PHE 509 Ca 0.00 -2.19 0.06 0.00 1.01 0.00 0.00 57.45 56.33 1bk5 n PHE 509 Cb 0.00 -0.31 0.05 0.00 -0.01 0.00 0.00 39.48 39.21 1bk5 n PHE 509 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18