#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry s SER 2 N 0.00 -0.14 0.15 1.61 1.04 -1.26 -5.15 113.70 109.95 2cry s SER 2 Ca 0.00 -0.78 -0.27 0.00 0.48 0.00 0.00 55.95 55.38 2cry s SER 2 Cb 0.00 0.60 -0.07 0.00 0.10 0.00 0.00 66.02 66.64 2cry s SER 2 CO 0.00 -1.14 0.84 -0.94 0.98 0.00 0.00 173.24 172.98 2cry s SER 3 N -2.97 7.43 0.00 7.02 1.04 -1.26 -4.98 113.70 119.99 2cry s SER 3 Ca 0.17 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2cry s SER 3 Cb -0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2cry s SER 3 CO 0.06 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2cry n GLY 4 N 1.80 4.74 3.01 7.32 0.00 -1.26 -5.16 105.19 115.64 2cry n GLY 4 Ca -0.03 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2cry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 5 N 0.00 0.43 0.25 1.61 0.01 -1.26 -5.16 113.70 109.58 2cry s SER 5 Ca 0.00 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2cry s SER 5 Cb 0.00 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.27 2cry s SER 5 CO 0.00 -0.30 0.50 -0.55 0.41 0.00 0.00 173.24 173.29 2cry s SER 6 N -1.65 6.45 0.09 2.44 0.15 -1.26 -5.09 113.70 114.83 2cry s SER 6 Ca -0.12 0.65 -0.27 0.00 0.70 0.00 0.00 55.95 56.91 2cry s SER 6 Cb -0.08 -2.12 0.09 0.00 -1.71 0.00 0.00 66.02 62.20 2cry s SER 6 CO -0.01 -0.12 1.11 -0.83 1.20 0.00 0.00 173.24 174.59 2cry s GLY 7 N -3.01 -0.23 -0.74 9.45 0.00 -1.26 -5.10 107.32 106.42 2cry s GLY 7 Ca 0.43 0.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.30 2cry s GLY 7 CO 0.28 0.82 0.62 -1.59 0.00 0.00 0.00 173.10 173.24 2cry s THR 8 N -2.70 4.77 0.45 0.90 2.01 -1.26 -5.07 115.64 114.75 2cry s THR 8 Ca 0.16 -2.68 -0.21 0.00 0.31 0.00 0.00 61.69 59.27 2cry s THR 8 Cb 0.01 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 2cry s THR 8 CO 0.00 -0.96 1.01 -0.76 -0.69 0.00 0.00 174.62 173.22 2cry s LEU 9 N 0.08 3.92 0.74 4.42 1.02 -1.26 -5.02 118.68 122.58 2cry s LEU 9 Ca 0.17 1.87 -0.15 0.00 0.02 0.00 0.00 54.13 56.04 2cry s LEU 9 Cb -0.15 -4.50 0.04 0.00 0.02 0.00 0.00 46.19 41.61 2cry s LEU 9 CO -0.06 -0.60 1.19 0.28 0.02 0.00 0.00 176.35 177.18 2cry s THR 10 N -1.99 2.38 0.00 5.49 -1.32 -1.26 -5.05 115.64 113.89 2cry s THR 10 Ca 0.64 0.18 -0.08 0.00 -1.21 0.00 0.00 61.69 61.22 2cry s THR 10 Cb -0.15 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 2cry s THR 10 CO 0.19 -0.11 0.15 0.68 -2.21 0.00 0.00 174.62 173.33 2cry s VAL 11 N -2.06 0.08 0.25 5.08 -7.23 -1.26 -5.17 120.40 110.09 2cry s VAL 11 Ca 0.73 -0.69 0.10 0.00 -1.81 0.00 0.00 61.98 60.31 2cry s VAL 11 Cb -0.28 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 2cry s VAL 11 CO 0.46 -0.38 -0.08 0.20 -0.31 0.00 0.00 175.10 174.99 2cry s ASN 12 N -1.43 4.22 0.00 4.85 -0.87 -1.26 -4.72 114.94 115.73 2cry s ASN 12 Ca -0.14 -0.73 0.00 0.00 -1.57 0.00 0.00 52.86 50.42 2cry s ASN 12 Cb -0.07 -0.67 0.00 0.00 -0.02 0.00 0.00 41.25 40.49 2cry s ASN 12 CO 0.02 0.04 0.00 0.61 -2.57 0.00 0.00 177.10 175.19 2cry n GLY 13 N -0.58 -0.89 3.69 0.66 0.00 -1.11 -4.99 105.19 101.97 2cry n GLY 13 Ca -0.07 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2cry n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 14 N -1.36 0.69 0.07 1.61 0.04 -1.26 -4.37 135.00 130.41 2cry s PRO 14 Ca 0.00 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.35 2cry s PRO 14 Cb 0.00 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 2cry s PRO 14 CO 0.00 -2.58 1.39 -1.25 0.04 0.00 0.00 177.00 174.60 2cry s PRO 15 N -4.95 4.31 -0.02 0.56 0.04 -1.26 -4.53 135.00 129.14 2cry s PRO 15 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2cry s PRO 15 Cb -0.18 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2cry s PRO 15 CO 0.57 -0.48 0.02 0.42 0.04 0.00 0.00 177.00 177.57 2cry s ILE 16 N 1.58 4.33 -0.34 0.56 1.09 -1.26 -4.38 121.20 122.77 2cry s ILE 16 Ca 0.64 -0.47 -0.01 0.00 -1.10 0.00 0.00 60.65 59.72 2cry s ILE 16 Cb -0.35 -2.92 0.12 0.00 -1.06 0.00 0.00 42.46 38.25 2cry s ILE 16 CO 0.29 0.43 0.16 -0.63 -0.10 0.00 0.00 174.94 175.09 2cry s ILE 17 N -1.06 0.68 0.00 2.92 1.01 -1.26 -1.62 121.20 121.86 2cry s ILE 17 Ca 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.22 2cry s ILE 17 Cb -0.12 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2cry s ILE 17 CO 0.09 -0.80 0.93 -0.24 0.00 0.00 0.00 174.94 174.92 2cry n SER 18 N 4.46 0.00 -2.52 3.58 2.88 -0.37 -4.88 113.62 116.76 2cry n SER 18 Ca 0.03 0.93 0.01 0.00 -1.33 0.00 0.00 58.87 58.51 2cry n SER 18 Cb 0.39 -0.43 0.01 0.00 -0.75 0.00 0.00 64.21 63.43 2cry n SER 18 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cry n SER 19 N -1.80 -0.72 -4.44 -3.46 2.88 -1.26 -4.98 113.62 99.85 2cry n SER 19 Ca 0.00 -1.21 -0.30 0.00 -1.33 0.00 0.00 58.87 56.03 2cry n SER 19 Cb 0.00 1.13 -0.13 0.00 -0.75 0.00 0.00 64.21 64.46 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2cry s THR 20 N -2.12 2.63 -0.00 2.46 -4.23 -1.26 0.97 115.64 114.09 2cry s THR 20 Ca 0.16 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2cry s THR 20 Cb -0.01 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 2cry s THR 20 CO 0.00 0.27 0.45 1.56 -0.54 0.00 0.00 174.62 176.37 2cry h GLN 21 N 4.37 -0.03 -5.83 3.99 7.50 -1.49 -3.43 115.11 120.19 2cry h GLN 21 Ca -0.48 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.05 2cry h GLN 21 Cb 1.16 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.67 2cry h GLN 21 CO 0.46 -0.02 1.49 2.41 -1.50 0.00 0.00 178.83 181.67 2cry n THR 22 N -2.17 0.14 -0.04 -0.54 -1.04 -1.26 -4.74 114.28 104.63 2cry n THR 22 Ca -0.00 -0.33 -0.04 0.00 -2.04 0.00 0.00 64.05 61.64 2cry n THR 22 Cb 0.01 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 66.70 2cry n THR 22 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2cry n GLN 23 N 8.39 2.49 -4.10 -2.82 0.00 -1.26 -4.77 117.38 115.31 2cry n GLN 23 Ca 0.42 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 57.09 2cry n GLN 23 Cb 0.27 -1.19 -0.15 0.00 0.00 0.00 0.00 30.24 29.17 2cry n GLN 23 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2cry s HIS 24 N -2.18 2.83 -0.13 3.69 3.76 -1.26 -2.32 115.29 119.68 2cry s HIS 24 Ca -0.05 -1.38 -0.00 0.00 -0.15 0.00 0.00 55.06 53.48 2cry s HIS 24 Cb 0.02 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 2cry s HIS 24 CO 0.30 -0.70 -0.12 0.00 -0.85 0.00 0.00 174.74 173.37 2cry s ALA 25 N 1.30 2.65 -0.10 -1.40 0.00 -0.21 -4.74 121.76 119.28 2cry s ALA 25 Ca 0.04 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 2cry s ALA 25 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2cry s ALA 25 CO -0.09 0.26 0.96 -1.17 0.00 0.00 0.00 175.76 175.72 2cry s LEU 26 N 0.32 4.26 -0.75 0.00 2.96 -1.26 -3.15 118.68 121.06 2cry s LEU 26 Ca -0.10 1.48 -0.27 0.00 -0.22 0.00 0.00 54.13 55.03 2cry s LEU 26 Cb -0.16 -3.49 -0.15 0.00 0.50 0.00 0.00 46.19 42.89 2cry s LEU 26 CO 0.05 -0.39 2.51 1.57 -1.32 0.00 0.00 176.35 178.77 2cry n HIS 27 N 4.79 0.97 0.00 5.38 -0.00 -1.26 -1.83 115.22 123.27 2cry n HIS 27 Ca 0.07 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 2cry n HIS 27 Cb 0.49 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 2cry n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2cry n GLY 28 N 6.23 3.03 3.73 1.57 0.00 -1.26 -5.06 105.19 113.43 2cry n GLY 28 Ca 0.51 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2cry n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cry s GLU 29 N 0.00 0.57 -0.59 1.61 -1.05 -0.76 -4.42 118.70 114.07 2cry s GLU 29 Ca 0.00 0.28 -0.28 0.00 -0.15 0.00 0.00 54.97 54.82 2cry s GLU 29 Cb 0.00 -1.77 0.01 0.00 -0.44 0.00 0.00 34.13 31.93 2cry s GLU 29 CO 0.00 -2.58 1.47 0.15 0.95 0.00 0.00 175.26 175.25 2cry s LYS 30 N -5.22 3.18 -0.76 -4.83 1.02 -1.26 -4.11 119.74 107.76 2cry s LYS 30 Ca 0.66 0.39 -0.25 0.00 0.02 0.00 0.00 55.97 56.79 2cry s LYS 30 Cb -0.15 -4.17 -0.15 0.00 -0.52 0.00 0.00 37.83 32.84 2cry s LYS 30 CO 0.55 -2.09 2.40 0.41 -0.92 0.00 0.00 175.35 175.71 2cry n GLY 31 N 5.35 -0.13 3.88 -3.33 0.00 -0.12 -4.53 105.19 106.31 2cry n GLY 31 Ca 0.12 0.37 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 2cry n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cry s GLN 32 N 8.65 3.57 -0.38 1.61 0.74 -1.25 -0.76 119.66 131.85 2cry s GLN 32 Ca 0.98 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 56.33 2cry s GLN 32 Cb -0.23 -3.10 0.13 0.00 1.10 0.00 0.00 33.01 30.91 2cry s GLN 32 CO 0.17 0.67 0.20 0.42 -0.55 0.00 0.00 175.29 176.19 2cry s ILE 33 N -1.25 0.78 -0.44 -2.34 1.01 -0.87 -4.59 121.20 113.49 2cry s ILE 33 Ca 0.26 -1.95 -0.27 0.00 0.00 0.00 0.00 60.65 58.69 2cry s ILE 33 Cb -0.13 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.80 2cry s ILE 33 CO 0.14 -0.88 0.99 -0.75 0.00 0.00 0.00 174.94 174.45 2cry s LYS 34 N 0.93 3.66 0.34 2.79 2.20 -1.26 -2.93 119.74 125.46 2cry s LYS 34 Ca 0.16 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 56.09 2cry s LYS 34 Cb -0.22 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.15 2cry s LYS 34 CO -0.06 -1.21 0.63 0.00 -0.36 0.00 0.00 175.35 174.35 2cry s PHE 36 N -2.22 3.60 -0.40 0.00 0.40 0.27 -3.91 117.98 115.72 2cry s PHE 36 Ca 0.46 -2.63 -0.18 0.00 -0.60 0.00 0.00 56.93 53.98 2cry s PHE 36 Cb -0.10 -3.36 0.01 0.00 0.51 0.00 0.00 43.02 40.08 2cry s PHE 36 CO 0.32 -0.85 0.47 0.42 0.70 0.00 0.00 175.22 176.27 2cry s ILE 37 N -0.34 5.05 -0.34 0.64 1.01 -0.93 -1.24 121.20 125.06 2cry s ILE 37 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2cry s ILE 37 Cb -0.15 -4.02 0.42 0.00 0.01 0.00 0.00 42.46 38.72 2cry s ILE 37 CO -0.06 -0.37 1.72 0.54 0.00 0.00 0.00 174.94 176.76 2cry n ARG 38 N 5.68 1.92 -1.82 2.79 1.74 -0.64 -0.24 116.66 126.09 2cry n ARG 38 Ca -0.06 -2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 54.51 2cry n ARG 38 Cb 0.48 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2cry s SER 39 N -0.57 6.54 -0.24 0.55 0.15 -1.25 -4.56 113.70 114.33 2cry s SER 39 Ca 0.40 2.52 -0.04 0.00 0.70 0.00 0.00 55.95 59.54 2cry s SER 39 Cb 0.33 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.19 2cry s SER 39 CO 0.06 -0.98 0.16 -0.89 1.20 0.00 0.00 173.24 172.78 2cry s THR 40 N 3.85 -0.17 1.00 6.45 2.01 -1.26 -2.51 115.64 125.00 2cry s THR 40 Ca 0.81 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 2cry s THR 40 Cb -0.40 -0.79 0.19 0.00 0.01 0.00 0.00 72.50 71.50 2cry s THR 40 CO 0.36 -0.45 1.09 -2.16 -0.69 0.00 0.00 174.62 172.77 2cry s PRO 41 N 2.19 0.45 0.82 4.92 0.04 -1.26 -2.73 135.00 139.43 2cry s PRO 41 Ca 0.06 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 2cry s PRO 41 Cb -0.16 -1.74 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2cry s PRO 41 CO -0.23 -2.72 1.09 -1.25 0.04 0.00 0.00 177.00 173.93 2cry s PRO 42 N -4.96 1.87 0.78 0.56 0.04 -1.05 -4.74 135.00 127.50 2cry s PRO 42 Ca 0.65 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2cry s PRO 42 Cb -0.19 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.55 2cry s PRO 42 CO 0.58 -1.87 1.09 -1.25 0.04 0.00 0.00 177.00 175.58 2cry s PRO 43 N -4.92 2.23 -0.08 0.56 0.04 -1.26 -4.91 135.00 126.66 2cry s PRO 43 Ca 0.62 1.16 0.13 0.00 0.04 0.00 0.00 61.00 62.95 2cry s PRO 43 Cb -0.17 -1.89 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2cry s PRO 43 CO 0.56 -1.66 0.52 -0.25 0.04 0.00 0.00 177.00 176.21 2cry n ASP 44 N -3.53 0.71 -3.96 6.66 8.00 0.50 -4.96 116.55 119.95 2cry n ASP 44 Ca 0.09 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.81 2cry n ASP 44 Cb 0.53 0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.68 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cry s ARG 45 N -2.57 0.36 -0.08 -1.24 3.52 -1.07 -5.03 118.95 112.83 2cry s ARG 45 Ca -0.06 -0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 54.85 2cry s ARG 45 Cb 0.07 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2cry s ARG 45 CO 0.82 -0.07 0.24 0.42 -0.81 0.00 0.00 175.30 175.91 2cry s ILE 46 N -1.55 0.01 -0.02 4.11 1.01 -1.26 -1.20 121.20 122.30 2cry s ILE 46 Ca -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2cry s ILE 46 Cb -0.09 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2cry s ILE 46 CO -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 174.94 174.82 2cry s ALA 47 N -0.12 0.62 -0.48 9.38 0.00 -0.41 -4.53 121.76 126.22 2cry s ALA 47 Ca -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 2cry s ALA 47 Cb -0.03 -0.27 0.11 0.00 0.00 0.00 0.00 23.12 22.94 2cry s ALA 47 CO 0.01 0.08 0.38 -1.58 0.00 0.00 0.00 175.76 174.65 2cry s TRP 48 N 0.31 3.36 -0.02 0.00 0.52 0.64 -2.11 118.94 121.64 2cry s TRP 48 Ca -0.04 -1.61 0.06 0.00 0.02 0.00 0.00 56.10 54.53 2cry s TRP 48 Cb -0.08 -3.50 -0.01 0.00 -1.15 0.00 0.00 33.47 28.72 2cry s TRP 48 CO -0.00 -0.97 -0.20 -1.54 0.02 0.00 0.00 176.95 174.25 2cry s SER 49 N 2.87 2.42 0.00 2.95 1.04 -0.66 -0.44 113.70 121.87 2cry s SER 49 Ca 0.05 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2cry s SER 49 Cb -0.27 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2cry s SER 49 CO 0.01 0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.80 2cry n TRP 50 N 2.64 0.00 0.00 5.02 2.14 -1.13 -0.84 117.44 125.27 2cry n TRP 50 Ca -0.16 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.41 2cry n TRP 50 Cb 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 2cry n TRP 50 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2cry n LYS 51 N -2.41 0.00 0.00 -2.67 5.02 -1.23 -4.56 118.16 112.32 2cry n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2cry n LYS 51 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cry n GLU 52 N -2.00 1.25 -3.00 1.97 1.02 -1.26 -5.04 120.64 113.59 2cry n GLU 52 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2cry n GLU 52 Cb 0.00 -0.89 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2cry s ASN 53 N -1.67 7.32 -0.06 1.62 0.01 -1.26 -5.07 114.94 115.84 2cry s ASN 53 Ca 0.00 1.61 0.02 0.00 -0.71 0.00 0.00 52.86 53.77 2cry s ASN 53 Cb 0.00 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.19 2cry s ASN 53 CO 0.00 0.17 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.98 2cry s VAL 54 N -1.23 0.90 -0.31 1.60 1.01 -1.26 -2.86 120.40 118.25 2cry s VAL 54 Ca 0.37 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2cry s VAL 54 Cb -0.22 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.39 2cry s VAL 54 CO 0.25 0.30 -0.01 -0.22 0.00 0.00 0.00 175.10 175.43 2cry s LEU 55 N 0.76 4.27 0.02 3.92 2.96 0.41 -4.92 118.68 126.11 2cry s LEU 55 Ca -0.13 -1.88 -0.19 0.00 -0.22 0.00 0.00 54.13 51.71 2cry s LEU 55 Cb -0.15 -1.59 -0.23 0.00 0.50 0.00 0.00 46.19 44.71 2cry s LEU 55 CO 0.02 -0.31 1.11 -0.33 -1.32 0.00 0.00 176.35 175.52 2cry h GLU 56 N 7.67 0.47 -1.31 1.98 5.08 -1.85 0.18 114.58 126.80 2cry h GLU 56 Ca -0.09 -0.50 0.13 0.00 -1.00 0.00 0.00 59.36 57.90 2cry h GLU 56 Cb 1.03 0.14 -0.30 0.00 0.50 0.00 0.00 28.75 30.12 2cry h GLU 56 CO 0.50 1.15 0.69 -1.54 -1.00 0.00 0.00 179.01 178.81 2cry s SER 57 N -6.86 -0.23 0.00 1.42 1.04 -1.26 -4.66 113.70 103.15 2cry s SER 57 Ca -0.13 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2cry s SER 57 Cb 0.04 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2cry s SER 57 CO 0.84 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.59 2cry n GLY 58 N 1.85 -0.32 3.32 7.32 0.00 -1.26 -4.97 105.19 111.13 2cry n GLY 58 Ca -0.11 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 2cry n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 59 N -0.30 3.65 -0.07 2.61 2.01 -1.26 -2.64 115.64 119.64 2cry s THR 59 Ca 0.00 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.22 2cry s THR 59 Cb 0.00 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.76 2cry s THR 59 CO 0.00 0.24 0.40 -0.55 -0.69 0.00 0.00 174.62 174.02 2cry s SER 60 N 1.48 -0.34 -1.61 3.53 0.15 0.21 -4.91 113.70 112.21 2cry s SER 60 Ca 0.04 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 57.01 2cry s SER 60 Cb -0.16 0.54 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 2cry s SER 60 CO -0.00 -0.36 0.62 0.61 1.20 0.00 0.00 173.24 175.31 2cry n GLY 61 N 1.80 -0.35 2.45 9.45 0.00 -1.26 0.80 105.19 118.08 2cry n GLY 61 Ca -0.18 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 2cry n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cry n ARG 62 N -4.40 -1.93 -4.23 1.61 1.74 -1.26 -4.98 116.66 103.21 2cry n ARG 62 Ca -0.07 1.01 -0.26 0.00 -0.77 0.00 0.00 57.85 57.77 2cry n ARG 62 Cb 0.56 -5.70 -0.17 0.00 -1.02 0.00 0.00 32.46 26.14 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cry s TYR 63 N -3.06 1.46 -0.24 -1.55 2.02 0.24 -2.59 117.35 113.62 2cry s TYR 63 Ca 0.02 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 2cry s TYR 63 Cb -0.01 -1.14 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 2cry s TYR 63 CO 0.03 -0.40 -0.12 0.99 -1.57 0.00 0.00 175.55 174.49 2cry s THR 64 N 1.19 2.07 -0.02 -0.71 2.01 0.55 -0.62 115.64 120.11 2cry s THR 64 Ca -0.05 -1.47 -0.21 0.00 0.31 0.00 0.00 61.69 60.27 2cry s THR 64 Cb -0.14 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 2cry s THR 64 CO -0.02 0.05 0.61 -0.69 -0.69 0.00 0.00 174.62 173.88 2cry s VAL 65 N 1.17 4.94 -0.16 3.82 1.01 -1.08 -0.47 120.40 129.63 2cry s VAL 65 Ca -0.06 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 2cry s VAL 65 Cb -0.19 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.32 2cry s VAL 65 CO -0.06 0.38 0.28 -1.61 0.00 0.00 0.00 175.10 174.09 2cry s GLU 66 N 0.02 0.19 0.01 2.72 2.02 0.87 -4.17 118.70 120.36 2cry s GLU 66 Ca 0.32 0.69 -0.00 0.00 0.02 0.00 0.00 54.97 56.00 2cry s GLU 66 Cb -0.18 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 2cry s GLU 66 CO 0.17 -0.36 0.11 0.99 0.02 0.00 0.00 175.26 176.19 2cry s THR 67 N 2.44 4.90 0.20 3.63 2.01 -1.26 0.07 115.64 127.63 2cry s THR 67 Ca 0.03 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2cry s THR 67 Cb -0.13 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2cry s THR 67 CO -0.10 0.29 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.46 2cry s ILE 68 N -1.28 1.05 -0.21 1.82 -1.09 0.12 -4.96 121.20 116.65 2cry s ILE 68 Ca 0.26 -2.04 -0.03 0.00 -2.23 0.00 0.00 60.65 56.61 2cry s ILE 68 Cb -0.12 -2.18 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2cry s ILE 68 CO 0.17 -0.46 -0.08 -0.94 -1.23 0.00 0.00 174.94 172.40 2cry s SER 69 N -3.26 4.04 0.41 3.58 1.04 -1.26 -0.76 113.70 117.49 2cry s SER 69 Ca 0.25 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.30 2cry s SER 69 Cb 0.05 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 2cry s SER 69 CO 0.06 -0.01 0.23 0.42 0.98 0.00 0.00 173.24 174.91 2cry s THR 70 N 1.42 2.45 0.37 2.02 -4.23 0.49 -4.96 115.64 113.21 2cry s THR 70 Ca 0.05 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 2cry s THR 70 Cb -0.14 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.89 2cry s THR 70 CO -0.05 -0.01 1.94 1.05 -0.54 0.00 0.00 174.62 177.00 2cry h GLU 71 N 1.34 0.47 0.00 3.99 9.09 -1.99 -2.35 114.58 125.13 2cry h GLU 71 Ca -0.42 -0.08 -0.21 0.00 0.05 0.00 0.00 59.36 58.70 2cry h GLU 71 Cb 1.26 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 28.25 2cry h GLU 71 CO 0.66 0.46 -0.98 0.93 0.05 0.00 0.00 179.01 180.13 2cry h GLU 72 N 0.46 0.01 0.00 1.06 4.39 -1.95 -3.49 114.58 115.05 2cry h GLU 72 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2cry h GLU 72 Cb 0.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2cry h GLU 72 CO 0.00 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.24 2cry n GLY 73 N 1.27 -0.90 3.25 -3.84 0.00 -0.88 -4.62 105.19 99.47 2cry n GLY 73 Ca -0.00 0.55 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 2cry n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cry s VAL 74 N 0.00 0.04 -0.20 1.61 -7.23 0.67 -0.38 120.40 114.92 2cry s VAL 74 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2cry s VAL 74 Cb 0.00 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.53 2cry s VAL 74 CO 0.00 0.00 0.38 -0.63 -0.31 0.00 0.00 175.10 174.54 2cry s ILE 75 N -3.81 -0.59 -0.48 -0.62 1.01 0.06 -2.18 121.20 114.59 2cry s ILE 75 Ca 0.39 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 2cry s ILE 75 Cb 0.05 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.94 2cry s ILE 75 CO 0.19 0.03 0.42 -0.55 0.00 0.00 0.00 174.94 175.03 2cry s SER 76 N 2.56 6.16 -0.07 3.58 0.15 -1.25 0.11 113.70 124.93 2cry s SER 76 Ca 0.02 -1.37 -0.05 0.00 0.70 0.00 0.00 55.95 55.26 2cry s SER 76 Cb -0.13 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 2cry s SER 76 CO -0.13 -0.68 0.13 -0.89 1.20 0.00 0.00 173.24 172.87 2cry s THR 77 N 1.68 5.29 -0.18 6.45 2.01 0.11 -2.79 115.64 128.21 2cry s THR 77 Ca 0.04 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2cry s THR 77 Cb -0.25 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 68.95 2cry s THR 77 CO 0.06 0.50 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.23 2cry s LEU 78 N -1.36 1.80 0.05 4.42 2.96 -1.15 -0.09 118.68 125.30 2cry s LEU 78 Ca 0.19 -0.79 -0.18 0.00 -0.22 0.00 0.00 54.13 53.13 2cry s LEU 78 Cb -0.12 -0.95 -0.06 0.00 0.50 0.00 0.00 46.19 45.55 2cry s LEU 78 CO 0.09 -0.20 0.52 -0.89 -1.32 0.00 0.00 176.35 174.55 2cry s THR 79 N 1.59 4.83 -0.29 3.68 2.01 0.38 -2.04 115.64 125.81 2cry s THR 79 Ca -0.01 1.10 0.02 0.00 0.31 0.00 0.00 61.69 63.11 2cry s THR 79 Cb -0.16 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.59 2cry s THR 79 CO -0.07 0.56 0.00 -0.63 -0.69 0.00 0.00 174.62 173.79 2cry s ILE 80 N -1.06 1.74 0.37 1.82 1.01 0.06 -0.33 121.20 124.82 2cry s ILE 80 Ca 0.27 -1.69 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 2cry s ILE 80 Cb -0.19 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.06 2cry s ILE 80 CO 0.17 -0.37 1.23 -0.55 0.00 0.00 0.00 174.94 175.42 2cry s SER 81 N 1.23 6.61 -1.42 3.58 0.15 -1.07 -0.95 113.70 121.84 2cry s SER 81 Ca 0.02 2.50 -0.02 0.00 0.70 0.00 0.00 55.95 59.16 2cry s SER 81 Cb -0.19 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.51 2cry s SER 81 CO -0.10 -0.63 0.04 0.59 1.20 0.00 0.00 173.24 174.34 2cry n ASN 82 N 0.39 0.68 -4.37 5.45 3.02 -1.26 -4.75 115.26 114.42 2cry n ASN 82 Ca 0.02 -1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 2cry n ASN 82 Cb 0.44 -1.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.18 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cry n ILE 83 N -4.19 1.23 -4.28 2.41 3.06 -1.21 -4.93 119.36 111.45 2cry n ILE 83 Ca -0.27 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.19 2cry n ILE 83 Cb 0.61 -0.21 -0.11 0.00 0.54 0.00 0.00 39.64 40.47 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2cry s VAL 84 N -1.52 2.97 0.40 9.51 -7.23 -1.26 -4.37 120.40 118.90 2cry s VAL 84 Ca 0.61 -1.45 0.25 0.00 -1.81 0.00 0.00 61.98 59.58 2cry s VAL 84 Cb -0.66 -2.37 0.42 0.00 0.56 0.00 0.00 36.38 34.34 2cry s VAL 84 CO 0.60 0.10 1.62 0.03 -0.31 0.00 0.00 175.10 177.14 2cry h ARG 85 N 3.70 0.10 -0.85 4.82 3.08 -2.01 0.80 114.38 124.01 2cry h ARG 85 Ca -0.50 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.68 2cry h ARG 85 Cb 1.17 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.11 2cry h ARG 85 CO 0.47 0.06 0.46 0.00 -1.07 0.00 0.00 179.97 179.90 2cry h ALA 86 N 1.75 1.27 -0.99 0.04 0.00 -1.99 0.47 119.26 119.80 2cry h ALA 86 Ca 0.82 0.07 0.29 0.00 0.00 0.00 0.00 54.91 56.08 2cry h ALA 86 Cb 2.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 20.05 2cry h ALA 86 CO -0.55 -0.03 0.90 -0.44 0.00 0.00 0.00 179.25 179.14 2cry h ASP 87 N 0.68 0.00 0.36 0.00 5.19 0.27 0.84 116.42 123.77 2cry h ASP 87 Ca 0.45 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.54 2cry h ASP 87 Cb 0.58 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.11 2cry h ASP 87 CO -0.33 0.00 -1.47 -0.26 -3.12 0.00 0.00 179.24 174.06 2cry h PHE 88 N 0.00 0.79 0.00 4.55 0.04 -1.02 -3.30 116.94 118.00 2cry h PHE 88 Ca 0.47 -0.57 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 2cry h PHE 88 Cb 2.27 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.38 2cry h PHE 88 CO 0.00 1.50 -0.44 1.96 -0.60 0.00 0.00 178.31 180.72 2cry h GLN 89 N 0.12 0.00 -6.90 1.51 1.08 0.52 -3.41 115.11 108.02 2cry h GLN 89 Ca -0.24 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.48 2cry h GLN 89 Cb 2.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 2cry h GLN 89 CO 0.24 0.44 0.39 0.99 -0.95 0.00 0.00 178.83 179.94 2cry s THR 90 N -3.30 3.90 -0.25 -0.54 2.01 0.89 -5.03 115.64 113.32 2cry s THR 90 Ca 0.02 1.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.46 2cry s THR 90 Cb 0.09 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2cry s THR 90 CO 0.71 0.13 0.33 -0.63 -0.69 0.00 0.00 174.62 174.48 2cry s ILE 91 N -1.55 5.22 0.36 1.82 1.09 -1.26 -4.56 121.20 122.32 2cry s ILE 91 Ca 0.52 0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 60.54 2cry s ILE 91 Cb -0.22 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 2cry s ILE 91 CO 0.28 0.22 0.64 -0.31 -0.10 0.00 0.00 174.94 175.66 2cry s TYR 92 N 1.70 3.50 -0.26 3.97 2.02 0.53 -3.49 117.35 125.32 2cry s TYR 92 Ca 0.14 0.66 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 2cry s TYR 92 Cb -0.15 -2.14 0.09 0.00 -0.40 0.00 0.00 41.96 39.36 2cry s TYR 92 CO 0.09 0.01 0.62 -0.80 -1.57 0.00 0.00 175.55 173.90 2cry s ASN 93 N -3.61 -0.89 -0.35 2.29 0.01 -0.02 -1.43 114.94 110.95 2cry s ASN 93 Ca 0.45 1.41 -0.08 0.00 -0.71 0.00 0.00 52.86 53.92 2cry s ASN 93 Cb -0.10 1.57 0.03 0.00 0.41 0.00 0.00 41.25 43.15 2cry s ASN 93 CO 0.35 -0.23 0.14 0.00 -1.51 0.00 0.00 177.10 175.86 2cry s THR 95 N 1.48 4.05 0.46 0.00 2.01 -0.89 -2.32 115.64 120.42 2cry s THR 95 Ca 0.00 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2cry s THR 95 Cb -0.19 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2cry s THR 95 CO 0.04 0.53 0.06 0.00 -0.69 0.00 0.00 174.62 174.57 2cry s ALA 96 N -0.07 3.68 -0.18 7.40 0.00 -0.64 -1.28 121.76 130.66 2cry s ALA 96 Ca 0.02 -1.49 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 2cry s ALA 96 Cb -0.13 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.03 2cry s ALA 96 CO 0.02 -0.12 0.42 -1.58 0.00 0.00 0.00 175.76 174.51 2cry s TRP 97 N -2.76 -0.68 0.17 0.00 0.51 -0.35 -3.64 118.94 112.19 2cry s TRP 97 Ca 0.25 1.39 0.01 0.00 -2.12 0.00 0.00 56.10 55.63 2cry s TRP 97 Cb 0.05 0.28 -0.04 0.00 -0.81 0.00 0.00 33.47 32.95 2cry s TRP 97 CO 0.13 -0.40 0.03 1.21 -0.51 0.00 0.00 176.95 177.42 2cry s ASN 98 N 1.87 0.90 0.28 2.95 2.47 0.10 -0.37 114.94 123.13 2cry s ASN 98 Ca -0.06 -1.22 0.19 0.00 0.42 0.00 0.00 52.86 52.19 2cry s ASN 98 Cb -0.10 0.19 1.02 0.00 -1.45 0.00 0.00 41.25 40.91 2cry s ASN 98 CO -0.13 -0.65 1.59 -0.24 -3.72 0.00 0.00 177.10 173.95 2cry n SER 99 N -0.22 0.50 -0.06 -4.21 2.88 -1.26 -1.97 113.62 109.28 2cry n SER 99 Ca -0.05 0.72 -0.22 0.00 -1.33 0.00 0.00 58.87 57.99 2cry n SER 99 Cb 0.64 -0.79 -0.13 0.00 -0.75 0.00 0.00 64.21 63.18 2cry n SER 99 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2cry n PHE 100 N -2.16 1.00 0.00 0.66 3.72 -1.26 -5.08 117.46 114.33 2cry n PHE 100 Ca -0.01 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2cry n PHE 100 Cb 0.05 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 2cry n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cry n GLY 101 N 1.73 0.81 3.56 1.37 0.00 -0.83 -4.75 105.19 107.07 2cry n GLY 101 Ca -0.35 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 2cry n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 102 N 2.00 -0.28 0.16 1.61 1.04 -1.26 -0.72 113.70 116.24 2cry s SER 102 Ca 0.00 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 2cry s SER 102 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2cry s SER 102 CO 0.00 -0.58 0.35 -1.81 0.98 0.00 0.00 173.24 172.18 2cry s ASP 103 N -2.52 -0.05 -0.21 7.02 1.11 -1.24 -4.83 116.67 115.94 2cry s ASP 103 Ca 0.07 -0.71 -0.04 0.00 0.18 0.00 0.00 52.55 52.05 2cry s ASP 103 Cb -0.01 0.47 0.11 0.00 1.07 0.00 0.00 42.92 44.56 2cry s ASP 103 CO -0.06 -0.92 0.36 -0.89 1.18 0.00 0.00 175.17 174.84 2cry s THR 104 N -3.92 -0.57 -0.10 -1.27 2.01 -1.26 -1.62 115.64 108.91 2cry s THR 104 Ca 0.13 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2cry s THR 104 Cb 0.02 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2cry s THR 104 CO -0.03 -0.04 0.11 -0.70 -0.69 0.00 0.00 174.62 173.27 2cry s GLU 105 N 2.53 3.33 -0.03 4.92 2.12 -0.98 -4.93 118.70 125.65 2cry s GLU 105 Ca 0.07 -0.22 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 2cry s GLU 105 Cb -0.14 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 2cry s GLU 105 CO -0.14 0.75 0.34 0.42 -0.54 0.00 0.00 175.26 176.09 2cry s ILE 106 N -1.03 5.15 -0.04 -3.70 1.01 -1.26 -1.91 121.20 119.43 2cry s ILE 106 Ca 0.16 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 2cry s ILE 106 Cb -0.12 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2cry s ILE 106 CO 0.05 0.59 0.08 -0.63 0.00 0.00 0.00 174.94 175.03 2cry s ILE 107 N -1.04 -0.08 -0.51 2.92 1.09 -0.51 -4.99 121.20 118.08 2cry s ILE 107 Ca 0.21 0.24 0.03 0.00 -1.10 0.00 0.00 60.65 60.04 2cry s ILE 107 Cb -0.15 -0.15 0.13 0.00 -1.06 0.00 0.00 42.46 41.22 2cry s ILE 107 CO 0.11 0.10 0.26 -0.13 -0.10 0.00 0.00 174.94 175.17 2cry s ARG 108 N 1.33 1.98 0.89 2.79 0.52 -1.26 -0.35 118.95 124.86 2cry s ARG 108 Ca -0.06 -2.53 -0.12 0.00 -0.52 0.00 0.00 55.73 52.49 2cry s ARG 108 Cb -0.12 -3.35 0.10 0.00 0.52 0.00 0.00 34.95 32.09 2cry s ARG 108 CO -0.04 -1.10 0.95 -0.11 0.02 0.00 0.00 175.30 175.02 2cry n LEU 109 N 3.27 2.61 -3.85 2.53 7.94 -1.26 -5.04 117.00 123.21 2cry n LEU 109 Ca 0.05 0.45 -0.09 0.00 -1.11 0.00 0.00 56.01 55.30 2cry n LEU 109 Cb 0.34 -1.41 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 2cry n LEU 109 CO 0.33 -2.46 -0.02 -0.54 -1.11 0.00 0.00 177.39 173.60 2cry s LYS 110 N -4.18 1.00 0.60 1.96 1.02 -0.98 -4.50 119.74 114.66 2cry s LYS 110 Ca 0.66 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 55.50 2cry s LYS 110 Cb -0.25 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2cry s LYS 110 CO 0.59 -0.35 1.11 -2.00 -0.92 0.00 0.00 175.35 173.77 2cry s GLU 111 N -3.88 3.09 0.55 1.68 2.12 -1.26 -1.05 118.70 119.95 2cry s GLU 111 Ca 0.08 1.45 -0.15 0.00 0.36 0.00 0.00 54.97 56.72 2cry s GLU 111 Cb 0.04 -1.98 -0.06 0.00 0.26 0.00 0.00 34.13 32.38 2cry s GLU 111 CO -0.08 -1.03 1.01 -1.14 -0.54 0.00 0.00 175.26 173.48 2cry s GLN 112 N -3.76 3.73 0.00 4.30 0.74 -1.19 -4.67 119.66 118.81 2cry s GLN 112 Ca 0.69 0.97 0.00 0.00 0.05 0.00 0.00 55.36 57.07 2cry s GLN 112 Cb -0.21 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 31.80 2cry s GLN 112 CO 0.35 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2cry n GLY 113 N -1.66 2.76 3.78 2.59 0.00 -1.26 -4.99 105.19 106.41 2cry n GLY 113 Ca 0.07 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2cry n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 114 N 0.00 7.32 0.08 1.61 0.01 -1.26 -5.07 113.70 116.38 2cry s SER 114 Ca 0.00 1.74 0.06 0.00 1.31 0.00 0.00 55.95 59.06 2cry s SER 114 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2cry s SER 114 CO 0.00 0.00 -0.17 -0.70 0.41 0.00 0.00 173.24 172.78 2cry s GLU 115 N -1.86 0.99 -1.15 12.44 2.12 -1.26 -5.06 118.70 124.92 2cry s GLU 115 Ca 0.46 -1.00 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 2cry s GLU 115 Cb -0.19 -1.10 -0.05 0.00 0.26 0.00 0.00 34.13 33.05 2cry s GLU 115 CO 0.24 0.26 1.88 1.41 -0.54 0.00 0.00 175.26 178.51 2cry s MET 116 N -1.66 2.78 -0.16 4.30 -2.45 -1.26 -4.93 119.30 115.93 2cry s MET 116 Ca 0.02 -1.15 -0.19 0.00 -1.25 0.00 0.00 55.69 53.12 2cry s MET 116 Cb -0.10 -5.27 -0.04 0.00 1.25 0.00 0.00 34.83 30.68 2cry s MET 116 CO 0.03 -3.54 0.51 -1.54 1.05 0.00 0.00 175.02 171.52 2cry s SER 117 N 6.32 6.64 0.10 1.11 1.04 -1.26 -5.03 113.70 122.63 2cry s SER 117 Ca 0.65 0.77 -0.25 0.00 0.48 0.00 0.00 55.95 57.60 2cry s SER 117 Cb -0.01 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.90 2cry s SER 117 CO 0.09 -0.09 1.14 -0.83 0.98 0.00 0.00 173.24 174.53 2cry s GLY 118 N 0.88 0.01 -0.28 7.32 0.00 -1.26 -5.12 107.32 108.87 2cry s GLY 118 Ca 0.26 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 2cry s GLY 118 CO 0.10 3.65 1.65 2.56 0.00 0.00 0.00 173.10 181.07 2cry s PRO 119 N -2.12 3.62 0.26 2.90 0.04 -1.26 -5.00 135.00 133.44 2cry s PRO 119 Ca 0.25 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2cry s PRO 119 Cb -0.02 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2cry s PRO 119 CO 0.03 -1.51 0.22 -1.54 0.04 0.00 0.00 177.00 174.24 2cry s SER 120 N 4.79 5.57 0.00 6.66 1.04 -1.26 -5.04 113.70 125.47 2cry s SER 120 Ca 0.73 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2cry s SER 120 Cb -0.23 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2cry s SER 120 CO 0.31 -0.08 0.00 -1.54 0.98 0.00 0.00 173.24 172.91 2cry n SER 121 N -1.23 4.87 -0.84 7.02 3.41 -1.26 -5.34 113.62 120.26 2cry n SER 121 Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.64 2cry n SER 121 Cb 0.58 0.54 0.09 0.00 -0.26 0.00 0.00 64.21 65.16 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49