#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 6.25 -0.88 1.61 0.01 -1.26 -5.04 113.70 114.40 2cry s SER 2 Ca 0.00 0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 2cry s SER 2 Cb 0.00 -2.14 0.16 0.00 0.21 0.00 0.00 66.02 64.26 2cry s SER 2 CO 0.00 0.08 0.97 -0.55 0.41 0.00 0.00 173.24 174.15 2cry s SER 3 N 0.76 6.67 0.00 2.44 0.15 -1.26 -4.52 113.70 117.94 2cry s SER 3 Ca 0.11 -2.27 0.00 0.00 0.70 0.00 0.00 55.95 54.49 2cry s SER 3 Cb -0.13 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2cry s SER 3 CO 0.03 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2cry n GLY 4 N 4.90 0.07 3.57 9.45 0.00 -1.26 -4.92 105.19 117.00 2cry n GLY 4 Ca 0.19 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2cry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 5 N -1.16 4.92 -0.22 1.61 0.15 -1.26 -4.92 113.70 112.82 2cry s SER 5 Ca 0.00 -1.34 -0.29 0.00 0.70 0.00 0.00 55.95 55.02 2cry s SER 5 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2cry s SER 5 CO 0.00 -3.14 1.03 -0.55 1.20 0.00 0.00 173.24 171.78 2cry s SER 6 N 7.11 7.10 0.13 5.45 0.15 -1.26 -5.01 113.70 127.38 2cry s SER 6 Ca 0.70 1.38 -0.21 0.00 0.70 0.00 0.00 55.95 58.52 2cry s SER 6 Cb -0.03 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2cry s SER 6 CO 0.10 -0.64 0.54 -0.83 1.20 0.00 0.00 173.24 173.61 2cry s GLY 7 N 1.19 -0.50 0.57 9.45 0.00 -1.26 -5.16 107.32 111.62 2cry s GLY 7 Ca 0.44 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 45.37 2cry s GLY 7 CO 0.07 0.07 1.07 -1.59 0.00 0.00 0.00 173.10 172.72 2cry s THR 8 N -3.52 3.67 -0.24 0.90 2.01 -1.26 -5.03 115.64 112.17 2cry s THR 8 Ca 0.00 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 62.79 2cry s THR 8 Cb -0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2cry s THR 8 CO -0.11 -0.39 0.10 -0.76 -0.69 0.00 0.00 174.62 172.77 2cry s LEU 9 N -4.24 3.71 0.08 4.42 1.02 -1.26 -5.06 118.68 117.35 2cry s LEU 9 Ca 0.66 -0.07 -0.27 0.00 0.02 0.00 0.00 54.13 54.47 2cry s LEU 9 Cb -0.17 -1.99 0.08 0.00 0.02 0.00 0.00 46.19 44.13 2cry s LEU 9 CO 0.32 0.02 0.96 0.28 0.02 0.00 0.00 176.35 177.96 2cry s THR 10 N 1.28 0.00 0.02 5.49 -1.32 -1.26 -5.18 115.64 114.66 2cry s THR 10 Ca 0.06 -0.40 -0.06 0.00 -1.21 0.00 0.00 61.69 60.07 2cry s THR 10 Cb -0.15 -1.65 -0.01 0.00 -1.51 0.00 0.00 72.50 69.19 2cry s THR 10 CO 0.05 0.00 0.10 0.68 -2.21 0.00 0.00 174.62 173.24 2cry s VAL 11 N -3.15 0.11 0.14 5.08 -7.23 -1.26 -5.17 120.40 108.91 2cry s VAL 11 Ca 0.10 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2cry s VAL 11 Cb -0.01 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2cry s VAL 11 CO -0.02 -0.48 0.30 0.54 -0.31 0.00 0.00 175.10 175.13 2cry s ASN 12 N -1.68 -0.00 0.00 4.85 4.22 -1.26 -4.70 114.94 116.37 2cry s ASN 12 Ca -0.11 -0.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.91 2cry s ASN 12 Cb -0.05 0.43 0.00 0.00 1.28 0.00 0.00 41.25 42.90 2cry s ASN 12 CO -0.01 -0.86 0.00 0.61 -2.04 0.00 0.00 177.10 174.80 2cry n GLY 13 N -0.19 0.65 3.73 0.45 0.00 -1.23 -5.03 105.19 103.57 2cry n GLY 13 Ca -0.11 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.00 1.41 -0.19 1.61 0.04 -1.26 -4.57 135.00 130.04 2cry s PRO 14 Ca 0.00 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 2cry s PRO 14 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2cry s PRO 14 CO 0.00 -2.15 1.59 -1.25 0.04 0.00 0.00 177.00 175.23 2cry s PRO 15 N -4.93 3.88 -0.28 0.56 0.04 -1.26 -4.68 135.00 128.33 2cry s PRO 15 Ca 0.63 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 2cry s PRO 15 Cb -0.18 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 2cry s PRO 15 CO 0.57 -1.18 0.48 0.42 0.04 0.00 0.00 177.00 177.33 2cry s ILE 16 N 4.90 5.08 -0.59 0.56 1.01 -1.26 -4.41 121.20 126.49 2cry s ILE 16 Ca 0.70 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 2cry s ILE 16 Cb -0.26 -3.83 0.15 0.00 0.01 0.00 0.00 42.46 38.54 2cry s ILE 16 CO 0.28 0.04 0.47 -0.63 0.00 0.00 0.00 174.94 175.11 2cry s ILE 17 N 2.28 4.52 0.01 2.92 1.01 -1.26 -0.38 121.20 130.29 2cry s ILE 17 Ca 0.19 -2.15 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 2cry s ILE 17 Cb -0.16 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2cry s ILE 17 CO 0.10 -0.86 1.06 -1.28 0.00 0.00 0.00 174.94 173.96 2cry h SER 18 N 8.06 -0.14 -1.74 3.58 0.87 -1.83 -3.46 113.55 118.89 2cry h SER 18 Ca -0.11 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.68 2cry h SER 18 Cb 1.04 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2cry h SER 18 CO 0.83 -0.08 0.62 -1.20 -0.53 0.00 0.00 176.83 176.47 2cry n SER 19 N -2.52 -1.00 -4.52 6.23 7.64 -1.26 -5.03 113.62 113.16 2cry n SER 19 Ca -0.01 -1.31 -0.32 0.00 1.01 0.00 0.00 58.87 58.24 2cry n SER 19 Cb 0.05 1.57 -0.12 0.00 -1.01 0.00 0.00 64.21 64.70 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cry s THR 20 N -2.09 3.25 -0.25 0.44 -4.23 -1.26 -0.28 115.64 111.22 2cry s THR 20 Ca 0.21 -0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2cry s THR 20 Cb -0.01 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.48 2cry s THR 20 CO 0.01 0.45 2.70 1.67 -0.54 0.00 0.00 174.62 178.91 2cry n GLN 21 N 1.80 1.98 -0.59 3.99 7.27 0.13 -4.96 117.38 127.00 2cry n GLN 21 Ca -0.16 -1.52 -0.19 0.00 0.07 0.00 0.00 57.00 55.20 2cry n GLN 21 Cb 0.52 -1.83 0.13 0.00 2.41 0.00 0.00 30.24 31.47 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2cry n THR 22 N 1.23 0.00 -3.84 1.69 -2.24 -1.26 -4.64 114.28 105.22 2cry n THR 22 Ca 0.37 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.99 2cry n THR 22 Cb 0.64 -0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry s GLN 23 N -3.22 2.24 -1.21 -0.78 0.00 -1.26 -5.04 119.66 110.40 2cry s GLN 23 Ca 0.34 -1.52 -0.18 0.00 -0.00 0.00 0.00 55.36 54.00 2cry s GLN 23 Cb -0.05 0.61 0.10 0.00 0.00 0.00 0.00 33.01 33.66 2cry s GLN 23 CO 0.35 -1.04 1.58 -3.38 0.00 0.00 0.00 175.29 172.80 2cry s HIS 24 N -2.26 2.94 0.58 9.60 -3.43 -1.26 -4.74 115.29 116.73 2cry s HIS 24 Ca 0.18 -1.61 -0.20 0.00 -0.80 0.00 0.00 55.06 52.62 2cry s HIS 24 Cb -0.05 -4.61 -0.04 0.00 -1.43 0.00 0.00 32.58 26.46 2cry s HIS 24 CO 0.13 -1.71 1.28 0.00 -2.00 0.00 0.00 174.74 172.44 2cry s ALA 25 N 3.59 2.61 -0.12 -1.38 0.00 -1.26 -4.79 121.76 120.41 2cry s ALA 25 Ca 0.49 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.61 2cry s ALA 25 Cb 0.01 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2cry s ALA 25 CO 0.02 -1.32 -0.11 -0.51 0.00 0.00 0.00 175.76 173.84 2cry s LEU 26 N -3.91 2.86 -0.92 0.00 2.01 -1.26 -4.29 118.68 113.18 2cry s LEU 26 Ca 0.76 -0.25 -0.25 0.00 0.01 0.00 0.00 54.13 54.40 2cry s LEU 26 Cb -0.36 -1.65 -0.22 0.00 0.01 0.00 0.00 46.19 43.98 2cry s LEU 26 CO 0.40 0.20 2.53 1.57 1.01 0.00 0.00 176.35 182.05 2cry n HIS 27 N 3.30 0.59 0.00 0.29 -0.00 -1.26 0.14 115.22 118.29 2cry n HIS 27 Ca -0.18 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2cry n HIS 27 Cb 0.53 -2.02 0.00 0.00 -0.00 0.00 0.00 29.99 28.49 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 4.01 3.70 1.57 0.00 -1.23 -5.05 105.19 114.41 2cry n GLY 28 Ca 0.61 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2cry n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cry s GLU 29 N 0.00 -0.03 -0.24 1.61 0.41 0.12 -4.56 118.70 116.02 2cry s GLU 29 Ca 0.00 0.14 -0.24 0.00 -0.41 0.00 0.00 54.97 54.46 2cry s GLU 29 Cb 0.00 -1.72 -0.01 0.00 -1.78 0.00 0.00 34.13 30.63 2cry s GLU 29 CO 0.00 -2.96 0.82 0.15 -0.49 0.00 0.00 175.26 172.79 2cry s LYS 30 N -5.30 4.18 -1.16 1.61 1.02 -1.26 -3.75 119.74 115.08 2cry s LYS 30 Ca 0.68 0.93 -0.18 0.00 0.02 0.00 0.00 55.97 57.43 2cry s LYS 30 Cb -0.13 -3.64 0.11 0.00 -0.52 0.00 0.00 37.83 33.65 2cry s LYS 30 CO 0.56 -0.51 1.49 0.20 -0.92 0.00 0.00 175.35 176.17 2cry s GLY 31 N 1.34 1.88 0.10 -3.33 0.00 -1.21 -4.75 107.32 101.36 2cry s GLY 31 Ca 0.35 -2.94 -0.30 0.00 0.00 0.00 0.00 44.72 41.83 2cry s GLY 31 CO 0.07 2.38 1.05 1.62 0.00 0.00 0.00 173.10 178.22 2cry s GLN 32 N 3.21 4.59 -0.63 2.90 0.74 -1.25 -3.58 119.66 125.64 2cry s GLN 32 Ca 0.45 1.58 0.05 0.00 0.05 0.00 0.00 55.36 57.50 2cry s GLN 32 Cb -0.00 -3.36 0.17 0.00 1.10 0.00 0.00 33.01 30.92 2cry s GLN 32 CO -0.00 0.04 0.46 0.42 -0.55 0.00 0.00 175.29 175.65 2cry s ILE 33 N 0.29 2.30 0.07 -2.34 1.01 -0.34 -4.57 121.20 117.62 2cry s ILE 33 Ca 0.51 -3.89 -0.31 0.00 0.00 0.00 0.00 60.65 56.96 2cry s ILE 33 Cb -0.26 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.62 2cry s ILE 33 CO 0.31 -1.06 1.50 -0.75 0.00 0.00 0.00 174.94 174.94 2cry s LYS 34 N -1.09 4.26 -0.15 2.79 2.20 -1.26 -3.32 119.74 123.15 2cry s LYS 34 Ca 0.27 2.16 -0.04 0.00 -0.36 0.00 0.00 55.97 57.99 2cry s LYS 34 Cb -0.03 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2cry s LYS 34 CO -0.17 -0.59 -0.02 0.00 -0.36 0.00 0.00 175.35 174.21 2cry s PHE 36 N 0.25 3.14 -0.64 0.00 0.40 0.62 -2.66 117.98 119.09 2cry s PHE 36 Ca -0.01 -1.41 -0.19 0.00 -0.60 0.00 0.00 56.93 54.71 2cry s PHE 36 Cb -0.14 -4.26 0.11 0.00 0.51 0.00 0.00 43.02 39.24 2cry s PHE 36 CO 0.02 -1.47 0.77 0.42 0.70 0.00 0.00 175.22 175.67 2cry s ILE 37 N 2.59 4.80 -0.13 0.64 1.01 -0.52 -2.14 121.20 127.46 2cry s ILE 37 Ca 0.32 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2cry s ILE 37 Cb -0.05 -4.54 -0.11 0.00 0.01 0.00 0.00 42.46 37.77 2cry s ILE 37 CO -0.09 -1.19 3.04 0.54 0.00 0.00 0.00 174.94 177.23 2cry n ARG 38 N 6.36 1.91 -2.92 2.79 1.74 0.49 -0.25 116.66 126.79 2cry n ARG 38 Ca -0.05 -1.18 -0.38 0.00 -0.77 0.00 0.00 57.85 55.48 2cry n ARG 38 Cb 0.44 -1.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 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 1.49 7.32 -0.30 0.55 0.15 -1.26 -4.28 113.70 117.38 2cry s SER 39 Ca 0.51 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.86 2cry s SER 39 Cb 0.28 -2.52 0.19 0.00 -1.71 0.00 0.00 66.02 62.26 2cry s SER 39 CO -0.05 0.07 0.64 -0.89 1.20 0.00 0.00 173.24 174.20 2cry s THR 40 N -1.40 -0.94 0.99 6.45 2.01 -1.26 -3.91 115.64 117.58 2cry s THR 40 Ca 0.43 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.31 2cry s THR 40 Cb -0.20 -0.97 0.19 0.00 0.01 0.00 0.00 72.50 71.52 2cry s THR 40 CO 0.25 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.11 2cry s PRO 41 N 2.85 0.47 0.80 4.92 0.04 -1.26 -3.58 135.00 139.24 2cry s PRO 41 Ca 0.15 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 2cry s PRO 41 Cb -0.12 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.76 2cry s PRO 41 CO -0.23 -2.71 1.09 -1.25 0.04 0.00 0.00 177.00 173.94 2cry s PRO 42 N -4.96 2.01 0.64 0.56 0.04 -1.25 -4.79 135.00 127.24 2cry s PRO 42 Ca 0.65 1.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 2cry s PRO 42 Cb -0.19 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2cry s PRO 42 CO 0.58 -1.80 1.11 -1.25 0.04 0.00 0.00 177.00 175.68 2cry s PRO 43 N -4.91 2.89 0.04 0.56 0.04 -1.26 -4.87 135.00 127.49 2cry s PRO 43 Ca 0.62 1.42 0.12 0.00 0.04 0.00 0.00 61.00 63.20 2cry s PRO 43 Cb -0.17 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 2cry s PRO 43 CO 0.56 -1.19 0.92 -0.44 0.04 0.00 0.00 177.00 176.90 2cry h ASP 44 N 0.21 0.00 -4.89 6.66 3.32 0.59 -3.47 116.42 118.83 2cry h ASP 44 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 2cry h ASP 44 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 2cry h ASP 44 CO 0.55 0.89 -0.71 -0.60 -1.72 0.00 0.00 179.24 177.65 2cry s ARG 45 N -2.71 0.34 -0.08 3.56 3.52 -1.10 -5.01 118.95 117.47 2cry s ARG 45 Ca -0.02 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 2cry s ARG 45 Cb 0.09 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.53 2cry s ARG 45 CO 0.82 -0.03 0.23 0.42 -0.81 0.00 0.00 175.30 175.93 2cry s ILE 46 N -1.38 0.01 0.00 4.11 1.01 -1.26 0.20 121.20 123.88 2cry s ILE 46 Ca -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2cry s ILE 46 Cb -0.10 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 2cry s ILE 46 CO -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 174.94 174.88 2cry s ALA 47 N -0.03 0.15 -0.47 9.38 0.00 -0.80 -4.55 121.76 125.45 2cry s ALA 47 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 2cry s ALA 47 Cb -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.20 2cry s ALA 47 CO 0.01 0.02 0.31 -1.58 0.00 0.00 0.00 175.76 174.52 2cry s TRP 48 N -0.17 3.50 -0.04 0.00 0.52 -0.33 -1.21 118.94 121.20 2cry s TRP 48 Ca -0.01 -2.16 0.06 0.00 0.02 0.00 0.00 56.10 54.01 2cry s TRP 48 Cb -0.02 -3.38 -0.02 0.00 -1.15 0.00 0.00 33.47 28.91 2cry s TRP 48 CO -0.00 -0.97 -0.21 -1.54 0.02 0.00 0.00 176.95 174.24 2cry s SER 49 N 2.17 3.41 -0.00 2.95 1.04 -0.35 -1.63 113.70 121.29 2cry s SER 49 Ca 0.08 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 2cry s SER 49 Cb -0.24 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.18 2cry s SER 49 CO -0.03 0.30 -0.01 -2.67 0.98 0.00 0.00 173.24 171.81 2cry n TRP 50 N 2.59 0.00 0.00 5.02 2.14 -1.22 -1.55 117.44 124.42 2cry n TRP 50 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 2cry n TRP 50 Cb 0.52 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 31.00 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 -2.60 0.00 0.00 -2.67 4.76 -1.26 -4.75 118.16 111.64 2cry n LYS 51 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cry n LYS 51 Cb 0.02 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 2cry n LYS 51 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2cry n GLU 52 N -1.97 3.41 -2.98 1.97 2.13 -1.26 -5.07 120.64 116.87 2cry n GLU 52 Ca 0.00 -0.06 -0.28 0.00 0.66 0.00 0.00 57.16 57.48 2cry n GLU 52 Cb 0.00 -0.41 -0.02 0.00 0.27 0.00 0.00 31.44 31.28 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2cry s ASN 53 N -0.50 6.37 -0.23 4.31 0.01 -1.26 -5.09 114.94 118.54 2cry s ASN 53 Ca 0.00 0.85 -0.03 0.00 -0.71 0.00 0.00 52.86 52.97 2cry s ASN 53 Cb 0.00 -2.21 0.12 0.00 0.41 0.00 0.00 41.25 39.58 2cry s ASN 53 CO 0.00 -0.40 0.32 -0.69 -1.51 0.00 0.00 177.10 174.82 2cry s VAL 54 N -2.43 -0.50 -0.38 1.60 1.01 -1.26 -3.41 120.40 115.04 2cry s VAL 54 Ca 0.46 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2cry s VAL 54 Cb -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.53 2cry s VAL 54 CO 0.37 -0.18 0.20 -0.22 0.00 0.00 0.00 175.10 175.27 2cry s LEU 55 N 2.46 4.72 -0.07 3.92 2.96 -0.65 -4.89 118.68 127.13 2cry s LEU 55 Ca 0.10 -1.11 -0.24 0.00 -0.22 0.00 0.00 54.13 52.66 2cry s LEU 55 Cb -0.15 -1.99 -0.28 0.00 0.50 0.00 0.00 46.19 44.27 2cry s LEU 55 CO -0.16 -0.40 0.89 -0.33 -1.32 0.00 0.00 176.35 175.03 2cry h GLU 56 N 8.39 0.19 -2.14 1.98 5.08 -1.87 -0.87 114.58 125.34 2cry h GLU 56 Ca -0.25 -0.29 0.15 0.00 -1.00 0.00 0.00 59.36 57.97 2cry h GLU 56 Cb 1.10 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 2cry h GLU 56 CO 0.67 1.11 0.55 0.45 -1.00 0.00 0.00 179.01 180.79 2cry s SER 57 N -6.62 -0.29 0.00 1.42 0.15 -1.26 -4.69 113.70 102.41 2cry s SER 57 Ca -0.16 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2cry s SER 57 Cb -0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2cry s SER 57 CO 0.77 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2cry n GLY 58 N -0.27 -0.58 2.97 9.45 0.00 -1.25 -4.88 105.19 110.63 2cry n GLY 58 Ca -0.07 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 1.00 -0.27 2.61 2.01 -1.26 -1.94 115.64 117.79 2cry s THR 59 Ca 0.00 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 2cry s THR 59 Cb 0.00 -0.95 0.11 0.00 0.01 0.00 0.00 72.50 71.67 2cry s THR 59 CO 0.00 0.33 0.93 -0.55 -0.69 0.00 0.00 174.62 174.65 2cry s SER 60 N 0.93 -0.54 -1.51 3.53 0.15 -0.27 -4.94 113.70 111.05 2cry s SER 60 Ca -0.10 1.02 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 2cry s SER 60 Cb -0.15 1.03 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 2cry s SER 60 CO 0.01 -0.19 0.69 0.61 1.20 0.00 0.00 173.24 175.55 2cry n GLY 61 N 2.28 -0.52 2.30 9.45 0.00 -1.26 -1.27 105.19 116.17 2cry n GLY 61 Ca -0.13 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.17 -1.23 -4.33 1.61 1.74 -1.26 -5.00 116.66 104.02 2cry n ARG 62 Ca -0.08 0.76 -0.24 0.00 -0.77 0.00 0.00 57.85 57.51 2cry n ARG 62 Cb 0.60 -5.11 -0.17 0.00 -1.02 0.00 0.00 32.46 26.77 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 -2.76 1.35 -0.26 -1.55 2.02 -0.40 -2.55 117.35 113.20 2cry s TYR 63 Ca 0.00 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2cry s TYR 63 Cb 0.00 -1.05 0.06 0.00 -0.40 0.00 0.00 41.96 40.57 2cry s TYR 63 CO 0.00 -0.33 -0.10 0.99 -1.57 0.00 0.00 175.55 174.54 2cry s THR 64 N 0.99 2.22 0.07 -0.71 2.01 0.63 -1.11 115.64 119.75 2cry s THR 64 Ca -0.09 -1.64 -0.17 0.00 0.31 0.00 0.00 61.69 60.10 2cry s THR 64 Cb -0.15 -2.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2cry s THR 64 CO -0.00 -0.05 0.53 -0.69 -0.69 0.00 0.00 174.62 173.72 2cry s VAL 65 N 1.10 4.82 -0.22 3.82 1.01 -0.82 -0.64 120.40 129.47 2cry s VAL 65 Ca -0.08 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 2cry s VAL 65 Cb -0.20 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.46 2cry s VAL 65 CO -0.05 0.50 0.44 -1.61 0.00 0.00 0.00 175.10 174.37 2cry s GLU 66 N -1.28 0.36 0.05 2.72 2.02 -0.10 -3.94 118.70 118.54 2cry s GLU 66 Ca 0.30 0.93 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 2cry s GLU 66 Cb -0.18 0.17 -0.06 0.00 0.10 0.00 0.00 34.13 34.17 2cry s GLU 66 CO 0.18 -0.37 0.38 0.99 0.02 0.00 0.00 175.26 176.46 2cry s THR 67 N 2.63 5.11 0.28 3.63 2.01 -1.26 -0.30 115.64 127.74 2cry s THR 67 Ca 0.03 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.61 2cry s THR 67 Cb -0.13 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 2cry s THR 67 CO -0.15 0.37 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.48 2cry s ILE 68 N -1.30 1.60 -0.20 1.82 -1.09 0.11 -4.96 121.20 117.19 2cry s ILE 68 Ca 0.30 -2.11 0.01 0.00 -2.23 0.00 0.00 60.65 56.61 2cry s ILE 68 Cb -0.14 -2.46 0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2cry s ILE 68 CO 0.16 -0.29 -0.11 -0.94 -1.23 0.00 0.00 174.94 172.54 2cry s SER 69 N -3.44 3.38 0.13 3.58 1.04 -1.26 -1.43 113.70 115.69 2cry s SER 69 Ca 0.30 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 55.95 2cry s SER 69 Cb 0.04 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2cry s SER 69 CO 0.12 -0.13 -0.18 0.42 0.98 0.00 0.00 173.24 174.44 2cry s THR 70 N 1.39 2.80 0.32 2.02 -4.23 0.01 -4.94 115.64 113.01 2cry s THR 70 Ca -0.01 -1.57 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 2cry s THR 70 Cb -0.16 -2.29 0.36 0.00 1.34 0.00 0.00 72.50 71.75 2cry s THR 70 CO -0.08 0.06 1.60 1.05 -0.54 0.00 0.00 174.62 176.71 2cry h GLU 71 N 3.63 0.09 -0.22 3.99 4.11 -2.00 1.44 114.58 125.62 2cry h GLU 71 Ca -0.49 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.85 2cry h GLU 71 Cb 1.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2cry h GLU 71 CO 0.46 0.06 -0.21 0.93 0.07 0.00 0.00 179.01 180.32 2cry h GLU 72 N 0.09 0.40 0.00 1.06 5.08 -1.95 -3.48 114.58 115.78 2cry h GLU 72 Ca 0.68 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2cry h GLU 72 Cb 1.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2cry h GLU 72 CO -0.77 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 178.24 2cry n GLY 73 N -0.53 -1.32 3.44 -3.84 0.00 0.49 -4.46 105.19 98.98 2cry n GLY 73 Ca -0.00 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 0.02 -0.19 1.61 -7.23 0.66 -0.81 120.40 114.46 2cry s VAL 74 Ca 0.00 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2cry s VAL 74 Cb 0.00 -2.15 0.09 0.00 0.56 0.00 0.00 36.38 34.88 2cry s VAL 74 CO 0.00 -0.08 0.31 -0.63 -0.31 0.00 0.00 175.10 174.39 2cry s ILE 75 N -4.03 -0.49 -0.41 -0.62 1.01 -0.51 -1.44 121.20 114.72 2cry s ILE 75 Ca 0.24 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 2cry s ILE 75 Cb 0.02 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.88 2cry s ILE 75 CO 0.07 -0.02 0.43 -0.55 0.00 0.00 0.00 174.94 174.87 2cry s SER 76 N 2.47 6.20 -0.17 3.58 0.15 -1.09 0.08 113.70 124.92 2cry s SER 76 Ca 0.05 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 56.06 2cry s SER 76 Cb -0.14 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2cry s SER 76 CO -0.12 -0.54 0.06 -0.89 1.20 0.00 0.00 173.24 172.95 2cry s THR 77 N 2.13 4.76 -0.22 6.45 2.01 0.59 -1.25 115.64 130.12 2cry s THR 77 Ca 0.12 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2cry s THR 77 Cb -0.17 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.25 2cry s THR 77 CO 0.13 0.49 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.18 2cry s LEU 78 N 0.15 2.74 0.14 4.42 2.96 -1.21 -0.92 118.68 126.95 2cry s LEU 78 Ca 0.04 -0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 52.97 2cry s LEU 78 Cb -0.12 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 2cry s LEU 78 CO 0.01 -0.08 0.34 -0.89 -1.32 0.00 0.00 176.35 174.40 2cry s THR 79 N 1.22 5.24 -0.36 3.68 2.01 0.19 -1.20 115.64 126.42 2cry s THR 79 Ca -0.01 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.80 2cry s THR 79 Cb -0.16 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 68.79 2cry s THR 79 CO -0.09 -0.00 0.11 -0.63 -0.69 0.00 0.00 174.62 173.31 2cry s ILE 80 N -1.69 1.73 0.00 1.82 1.01 -1.23 -0.27 121.20 122.57 2cry s ILE 80 Ca 0.39 -2.13 0.00 0.00 0.00 0.00 0.00 60.65 58.91 2cry s ILE 80 Cb -0.12 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2cry s ILE 80 CO 0.27 -0.68 0.73 -0.24 0.00 0.00 0.00 174.94 175.02 2cry n SER 81 N 4.28 0.00 -3.89 3.58 2.88 -1.06 -3.29 113.62 116.13 2cry n SER 81 Ca 0.02 0.73 -0.30 0.00 -1.33 0.00 0.00 58.87 57.99 2cry n SER 81 Cb 0.40 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 2cry n SER 81 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2cry s ASN 82 N -3.00 4.19 0.46 -3.46 0.01 -1.26 -4.30 114.94 107.58 2cry s ASN 82 Ca 0.00 -3.01 -0.22 0.00 -0.71 0.00 0.00 52.86 48.92 2cry s ASN 82 Cb 0.00 -1.51 -0.08 0.00 0.41 0.00 0.00 41.25 40.07 2cry s ASN 82 CO 0.00 -0.22 1.08 -0.51 -1.51 0.00 0.00 177.10 175.93 2cry s ILE 83 N -0.26 3.57 0.21 0.60 2.07 -1.22 -4.96 121.20 121.21 2cry s ILE 83 Ca 0.18 1.08 0.02 0.00 -1.41 0.00 0.00 60.65 60.53 2cry s ILE 83 Cb -0.24 -3.50 -0.05 0.00 0.13 0.00 0.00 42.46 38.81 2cry s ILE 83 CO -0.02 -0.11 0.02 0.68 -1.91 0.00 0.00 174.94 173.60 2cry s VAL 84 N -1.77 0.81 0.36 4.00 -7.23 -1.26 -3.50 120.40 111.80 2cry s VAL 84 Ca 0.64 -2.01 0.18 0.00 -1.81 0.00 0.00 61.98 58.99 2cry s VAL 84 Cb -0.21 -2.31 0.34 0.00 0.56 0.00 0.00 36.38 34.76 2cry s VAL 84 CO 0.26 -0.33 1.62 0.03 -0.31 0.00 0.00 175.10 176.37 2cry h ARG 85 N 2.54 0.14 -0.90 4.82 3.08 -2.00 0.73 114.38 122.80 2cry h ARG 85 Ca -0.38 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 59.84 2cry h ARG 85 Cb 1.22 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.13 2cry h ARG 85 CO 0.63 0.09 0.46 0.00 -1.07 0.00 0.00 179.97 180.09 2cry h ALA 86 N 1.93 1.41 -0.84 0.04 0.00 -1.99 -1.11 119.26 118.71 2cry h ALA 86 Ca 0.80 0.10 0.20 0.00 0.00 0.00 0.00 54.91 56.01 2cry h ALA 86 Cb 1.99 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.64 2cry h ALA 86 CO -0.70 -0.15 -0.06 0.38 0.00 0.00 0.00 179.25 178.72 2cry h ASP 87 N 0.59 -0.52 -0.48 0.00 3.04 0.15 0.45 116.42 119.65 2cry h ASP 87 Ca 0.52 0.24 -0.05 0.00 -3.24 0.00 0.00 57.03 54.49 2cry h ASP 87 Cb 0.82 0.44 -0.02 0.00 -1.04 0.00 0.00 39.33 39.53 2cry h ASP 87 CO -0.41 -0.25 0.12 -0.26 -2.04 0.00 0.00 179.24 176.39 2cry h PHE 88 N 0.05 0.81 0.00 4.15 0.04 -1.32 -2.45 116.94 118.22 2cry h PHE 88 Ca 0.46 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 2cry h PHE 88 Cb 0.81 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 2cry h PHE 88 CO -0.52 0.73 -0.14 1.96 -0.60 0.00 0.00 178.31 179.75 2cry h GLN 89 N 0.66 0.00 -5.76 1.51 1.08 -0.32 -3.42 115.11 108.85 2cry h GLN 89 Ca 0.15 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.78 2cry h GLN 89 Cb 0.33 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.68 2cry h GLN 89 CO 0.00 0.14 -0.10 0.99 -0.95 0.00 0.00 178.83 178.91 2cry s THR 90 N -4.14 5.16 -0.12 -0.54 2.01 0.12 -5.05 115.64 113.08 2cry s THR 90 Ca -0.02 1.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.78 2cry s THR 90 Cb 0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2cry s THR 90 CO 0.59 0.30 0.63 -0.63 -0.69 0.00 0.00 174.62 174.83 2cry s ILE 91 N 0.72 5.07 0.21 1.82 1.09 -1.26 -4.60 121.20 124.26 2cry s ILE 91 Ca 0.27 1.26 -0.09 0.00 -1.10 0.00 0.00 60.65 61.00 2cry s ILE 91 Cb -0.15 -3.96 -0.07 0.00 -1.06 0.00 0.00 42.46 37.21 2cry s ILE 91 CO 0.11 0.22 0.52 -0.31 -0.10 0.00 0.00 174.94 175.39 2cry s TYR 92 N 1.10 3.43 -0.18 3.97 2.02 0.14 -4.13 117.35 123.70 2cry s TYR 92 Ca 0.32 0.82 -0.08 0.00 -0.37 0.00 0.00 57.07 57.76 2cry s TYR 92 Cb -0.16 -2.21 0.07 0.00 -0.40 0.00 0.00 41.96 39.25 2cry s TYR 92 CO 0.14 0.30 0.41 -0.80 -1.57 0.00 0.00 175.55 174.03 2cry s ASN 93 N -2.37 -0.40 -0.26 2.29 0.01 -0.60 0.03 114.94 113.64 2cry s ASN 93 Ca 0.46 0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 53.46 2cry s ASN 93 Cb -0.11 0.98 -0.03 0.00 0.41 0.00 0.00 41.25 42.49 2cry s ASN 93 CO 0.22 -0.21 0.10 0.00 -1.51 0.00 0.00 177.10 175.70 2cry s THR 95 N 1.63 3.10 0.33 0.00 2.01 -0.35 -2.77 115.64 119.59 2cry s THR 95 Ca 0.06 -1.74 0.02 0.00 0.31 0.00 0.00 61.69 60.35 2cry s THR 95 Cb -0.15 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2cry s THR 95 CO 0.05 -0.40 0.50 0.00 -0.69 0.00 0.00 174.62 174.08 2cry s ALA 96 N 1.19 3.81 0.01 7.40 0.00 -1.04 -1.90 121.76 131.23 2cry s ALA 96 Ca 0.02 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2cry s ALA 96 Cb -0.21 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2cry s ALA 96 CO -0.03 0.01 -0.07 -1.58 0.00 0.00 0.00 175.76 174.10 2cry s TRP 97 N -2.24 0.57 0.06 0.00 0.51 0.13 -3.08 118.94 114.89 2cry s TRP 97 Ca 0.40 -0.20 -0.12 0.00 -2.12 0.00 0.00 56.10 54.05 2cry s TRP 97 Cb -0.09 -0.36 0.01 0.00 -0.81 0.00 0.00 33.47 32.22 2cry s TRP 97 CO 0.34 -0.03 0.26 1.21 -0.51 0.00 0.00 176.95 178.22 2cry s ASN 98 N -0.52 -0.05 0.65 2.95 2.47 0.06 0.12 114.94 120.63 2cry s ASN 98 Ca -0.01 -0.33 0.27 0.00 0.42 0.00 0.00 52.86 53.21 2cry s ASN 98 Cb -0.04 0.34 1.42 0.00 -1.45 0.00 0.00 41.25 41.52 2cry s ASN 98 CO -0.00 -0.64 1.81 -1.28 -3.72 0.00 0.00 177.10 173.27 2cry h SER 99 N 3.13 0.00 0.05 -4.21 0.87 -1.94 0.18 113.55 111.63 2cry h SER 99 Ca -0.32 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 2cry h SER 99 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2cry h SER 99 CO 0.48 0.00 -0.55 -0.26 -0.53 0.00 0.00 176.83 175.98 2cry h PHE 100 N 0.00 0.20 0.00 2.24 0.04 -1.95 -3.51 116.94 113.96 2cry h PHE 100 Ca 0.06 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2cry h PHE 100 Cb 0.97 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2cry h PHE 100 CO 0.00 1.21 0.00 0.41 -0.60 0.00 0.00 178.31 179.33 2cry n GLY 101 N 1.62 0.84 3.81 -1.45 0.00 0.05 -4.73 105.19 105.33 2cry n GLY 101 Ca -0.16 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.18 0.08 1.61 1.04 -1.26 -0.76 113.70 116.23 2cry s SER 102 Ca 0.00 -0.74 -0.26 0.00 0.48 0.00 0.00 55.95 55.43 2cry s SER 102 Cb 0.00 0.73 0.08 0.00 0.10 0.00 0.00 66.02 66.93 2cry s SER 102 CO 0.00 -1.37 0.84 -1.81 0.98 0.00 0.00 173.24 171.89 2cry s ASP 103 N -2.96 -0.35 -0.08 7.02 1.01 -1.18 -4.70 116.67 115.44 2cry s ASP 103 Ca 0.13 -0.14 -0.11 0.00 0.71 0.00 0.00 52.55 53.15 2cry s ASP 103 Cb -0.05 0.47 0.03 0.00 1.01 0.00 0.00 42.92 44.37 2cry s ASP 103 CO 0.08 -0.80 0.28 -0.89 0.21 0.00 0.00 175.17 174.05 2cry s THR 104 N -3.32 0.02 -0.05 -1.27 2.01 -1.26 -2.48 115.64 109.28 2cry s THR 104 Ca 0.06 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2cry s THR 104 Cb -0.01 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.05 2cry s THR 104 CO -0.06 -0.08 -0.12 -0.70 -0.69 0.00 0.00 174.62 172.97 2cry s GLU 105 N -0.24 1.47 0.04 4.92 2.56 -1.12 -4.99 118.70 121.34 2cry s GLU 105 Ca -0.04 -0.40 -0.21 0.00 0.00 0.00 0.00 54.97 54.32 2cry s GLU 105 Cb -0.03 -1.27 -0.06 0.00 2.00 0.00 0.00 34.13 34.77 2cry s GLU 105 CO 0.01 0.09 0.62 0.42 -0.56 0.00 0.00 175.26 175.84 2cry s ILE 106 N 0.44 4.78 -0.03 -3.70 1.01 -1.26 -2.73 121.20 119.71 2cry s ILE 106 Ca -0.09 1.33 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2cry s ILE 106 Cb -0.13 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.40 2cry s ILE 106 CO 0.02 0.47 0.00 -0.63 0.00 0.00 0.00 174.94 174.80 2cry s ILE 107 N -0.56 0.16 -0.39 2.92 1.09 0.10 -4.97 121.20 119.55 2cry s ILE 107 Ca 0.32 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.99 2cry s ILE 107 Cb -0.19 -0.25 0.11 0.00 -1.06 0.00 0.00 42.46 41.07 2cry s ILE 107 CO 0.19 0.13 0.12 -0.13 -0.10 0.00 0.00 174.94 175.15 2cry s ARG 108 N 0.96 1.59 -0.58 2.79 0.52 -1.26 0.24 118.95 123.21 2cry s ARG 108 Ca -0.10 -2.07 -0.26 0.00 -0.52 0.00 0.00 55.73 52.79 2cry s ARG 108 Cb -0.13 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 2cry s ARG 108 CO -0.02 -0.99 2.42 -0.11 0.02 0.00 0.00 175.30 176.62 2cry n LEU 109 N 3.93 2.16 -4.59 2.53 7.94 -1.26 -4.93 117.00 122.78 2cry n LEU 109 Ca 0.04 -0.80 -0.29 0.00 -1.11 0.00 0.00 56.01 53.84 2cry n LEU 109 Cb 0.39 -1.61 0.20 0.00 0.53 0.00 0.00 43.42 42.94 2cry n LEU 109 CO 0.25 -1.90 0.60 -0.54 -1.11 0.00 0.00 177.39 174.69 2cry s LYS 110 N 8.49 0.06 0.10 1.96 1.02 -1.26 -4.13 119.74 125.98 2cry s LYS 110 Ca 0.97 1.00 -0.03 0.00 0.02 0.00 0.00 55.97 57.92 2cry s LYS 110 Cb -0.16 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 2cry s LYS 110 CO 0.21 -3.11 0.30 -2.00 -0.92 0.00 0.00 175.35 169.83 2cry s GLU 111 N -4.63 3.55 -0.20 1.68 2.12 -1.26 -4.58 118.70 115.38 2cry s GLU 111 Ca 0.67 -0.22 -0.40 0.00 0.36 0.00 0.00 54.97 55.37 2cry s GLU 111 Cb -0.23 -2.94 -0.19 0.00 0.26 0.00 0.00 34.13 31.03 2cry s GLU 111 CO 0.61 0.54 1.22 0.94 -0.54 0.00 0.00 175.26 178.03 2cry n GLN 112 N 0.27 0.00 0.00 4.30 0.00 -1.26 -4.35 117.38 116.34 2cry n GLN 112 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 2cry n GLN 112 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.34 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cry n GLY 113 N 2.42 0.59 0.04 1.69 0.00 -1.26 -5.08 105.19 103.59 2cry n GLY 113 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2cry n GLY 113 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cry h SER 114 N 0.00 -0.07 -0.75 1.61 0.02 -2.00 -3.35 113.55 109.00 2cry h SER 114 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2cry h SER 114 Cb 0.00 0.02 -0.21 0.00 0.14 0.00 0.00 62.40 62.34 2cry h SER 114 CO 0.00 0.05 0.65 -1.84 -1.14 0.00 0.00 176.83 174.55 2cry n GLU 115 N -2.80 2.25 -3.85 3.45 0.00 -1.26 -4.78 120.64 113.66 2cry n GLU 115 Ca -0.01 -2.44 -0.30 0.00 0.00 0.00 0.00 57.16 54.41 2cry n GLU 115 Cb 0.03 -1.96 -0.14 0.00 0.00 0.00 0.00 31.44 29.37 2cry n GLU 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2cry s MET 116 N -2.82 1.28 -0.34 3.44 1.75 -1.26 -4.98 119.30 116.37 2cry s MET 116 Ca 0.48 -1.79 -0.02 0.00 -1.25 0.00 0.00 55.69 53.11 2cry s MET 116 Cb 0.38 -2.65 0.14 0.00 2.84 0.00 0.00 34.83 35.54 2cry s MET 116 CO -0.01 -1.03 2.30 0.43 -0.65 0.00 0.00 175.02 176.06 2cry n SER 117 N 4.07 6.40 -2.86 1.11 7.64 -1.26 -4.95 113.62 123.77 2cry n SER 117 Ca 0.03 -3.07 -0.08 0.00 1.01 0.00 0.00 58.87 56.77 2cry n SER 117 Cb 0.39 -1.13 0.07 0.00 -1.01 0.00 0.00 64.21 62.53 2cry n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cry n GLY 118 N 0.62 -2.86 3.61 0.23 0.00 -1.26 -4.90 105.19 100.63 2cry n GLY 118 Ca 0.35 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2cry n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 119 N -3.64 3.60 0.16 1.61 0.04 -1.26 -5.00 135.00 130.51 2cry s PRO 119 Ca 0.19 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2cry s PRO 119 Cb -0.02 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2cry s PRO 119 CO 0.15 -1.53 0.01 0.45 0.04 0.00 0.00 177.00 176.12 2cry s SER 120 N 4.86 4.89 0.44 6.66 0.15 -1.26 -5.10 113.70 124.35 2cry s SER 120 Ca 0.73 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.81 2cry s SER 120 Cb -0.23 -1.09 -0.08 0.00 -1.71 0.00 0.00 66.02 62.91 2cry s SER 120 CO 0.31 0.10 1.34 -0.55 1.20 0.00 0.00 173.24 175.65 2cry s SER 121 N -2.83 6.06 0.00 5.45 0.15 -1.26 -5.30 113.70 115.98 2cry s SER 121 Ca 0.27 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.65 2cry s SER 121 Cb -0.10 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2cry s SER 121 CO 0.19 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.21