#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 4.04 -0.17 1.61 0.01 -1.26 -5.13 113.70 112.80 2cry s SER 2 Ca 0.00 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 2cry s SER 2 Cb 0.00 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2cry s SER 2 CO 0.00 0.03 0.04 -0.94 0.41 0.00 0.00 173.24 172.77 2cry s SER 3 N -3.55 5.42 0.00 2.44 1.04 -1.26 -5.00 113.70 112.79 2cry s SER 3 Ca 0.30 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2cry s SER 3 Cb -0.06 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2cry s SER 3 CO 0.17 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2cry n GLY 4 N 3.45 -0.82 2.20 7.32 0.00 -1.26 -4.69 105.19 111.40 2cry n GLY 4 Ca -0.17 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 2cry n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cry n SER 5 N -1.27 5.54 -4.84 1.61 3.41 -1.26 -5.03 113.62 111.78 2cry n SER 5 Ca 0.00 -3.76 -0.37 0.00 -0.26 0.00 0.00 58.87 54.48 2cry n SER 5 Cb 0.00 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 2cry n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cry s SER 6 N -3.14 6.77 0.00 4.04 0.01 -1.26 -5.08 113.70 115.05 2cry s SER 6 Ca 0.53 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2cry s SER 6 Cb 0.43 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2cry s SER 6 CO -0.03 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2cry n GLY 7 N 1.58 -2.23 3.36 3.44 0.00 -1.26 -4.90 105.19 105.18 2cry n GLY 7 Ca -0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2cry n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cry n THR 8 N 0.00 0.00 -3.88 2.61 -2.24 -1.26 -5.00 114.28 104.51 2cry n THR 8 Ca 0.00 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 2cry n THR 8 Cb 0.00 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.21 2cry n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cry s LEU 9 N -5.61 3.00 0.13 3.22 1.43 -1.26 -5.10 118.68 114.49 2cry s LEU 9 Ca 0.64 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2cry s LEU 9 Cb -0.20 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2cry s LEU 9 CO 0.64 -0.03 -0.10 0.28 0.23 0.00 0.00 176.35 177.36 2cry s THR 10 N 1.50 1.11 0.00 5.49 -1.32 -1.26 -5.16 115.64 116.00 2cry s THR 10 Ca 0.06 -1.90 -0.01 0.00 -1.21 0.00 0.00 61.69 58.63 2cry s THR 10 Cb -0.14 -1.67 -0.01 0.00 -1.51 0.00 0.00 72.50 69.17 2cry s THR 10 CO -0.02 -0.66 0.01 0.68 -2.21 0.00 0.00 174.62 172.42 2cry s VAL 11 N -2.95 0.05 0.09 5.08 -7.23 -1.26 -5.17 120.40 109.01 2cry s VAL 11 Ca 0.12 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2cry s VAL 11 Cb 0.00 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.75 2cry s VAL 11 CO 0.00 -0.23 0.05 0.54 -0.31 0.00 0.00 175.10 175.16 2cry s ASN 12 N -0.68 0.35 0.00 4.85 2.20 -1.26 -4.76 114.94 115.64 2cry s ASN 12 Ca -0.08 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 50.84 2cry s ASN 12 Cb -0.05 0.27 0.00 0.00 -2.00 0.00 0.00 41.25 39.47 2cry s ASN 12 CO -0.00 -0.68 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 2cry n GLY 13 N -0.00 -0.16 3.68 0.45 0.00 -1.18 -5.03 105.19 102.95 2cry n GLY 13 Ca -0.11 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 0.55 -0.27 1.61 0.04 -1.26 -4.45 135.00 129.23 2cry s PRO 14 Ca 0.00 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 2cry s PRO 14 Cb 0.00 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2cry s PRO 14 CO 0.00 -2.66 1.64 -1.25 0.04 0.00 0.00 177.00 174.77 2cry s PRO 15 N -4.96 3.65 0.02 0.56 0.04 -1.26 -4.59 135.00 128.46 2cry s PRO 15 Ca 0.65 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 2cry s PRO 15 Cb -0.18 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 2cry s PRO 15 CO 0.57 -1.47 0.65 0.42 0.04 0.00 0.00 177.00 177.22 2cry s ILE 16 N 5.66 4.84 -0.31 0.56 1.01 -1.26 -4.32 121.20 127.37 2cry s ILE 16 Ca 0.73 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.77 2cry s ILE 16 Cb -0.23 -3.99 0.09 0.00 0.01 0.00 0.00 42.46 38.34 2cry s ILE 16 CO 0.31 0.41 0.04 -0.63 0.00 0.00 0.00 174.94 175.07 2cry s ILE 17 N -0.20 1.83 -0.01 2.92 1.01 -1.26 -1.80 121.20 123.69 2cry s ILE 17 Ca 0.33 -1.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 2cry s ILE 17 Cb -0.19 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 2cry s ILE 17 CO 0.19 -0.52 0.20 -1.28 0.00 0.00 0.00 174.94 173.53 2cry h SER 18 N 7.78 -0.02 -5.64 3.58 0.87 -1.93 -3.47 113.55 114.71 2cry h SER 18 Ca -0.09 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.74 2cry h SER 18 Cb 1.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.91 2cry h SER 18 CO 0.49 0.02 0.74 -0.44 -0.53 0.00 0.00 176.83 177.11 2cry s SER 19 N -3.01 -0.05 0.22 6.23 0.01 -1.26 -5.02 113.70 110.82 2cry s SER 19 Ca -0.00 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.02 2cry s SER 19 Cb 0.00 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 2cry s SER 19 CO 0.01 -0.55 0.01 0.42 0.41 0.00 0.00 173.24 173.54 2cry s THR 20 N -2.40 3.65 -0.49 1.44 -4.23 -1.26 -0.12 115.64 112.22 2cry s THR 20 Ca 0.19 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2cry s THR 20 Cb 0.01 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.88 2cry s THR 20 CO -0.00 -0.23 3.08 0.00 -0.54 0.00 0.00 174.62 176.94 2cry n GLN 21 N -0.49 2.62 -0.84 3.99 6.02 -0.43 -4.96 117.38 123.30 2cry n GLN 21 Ca -0.08 -1.93 -0.36 0.00 -0.01 0.00 0.00 57.00 54.62 2cry n GLN 21 Cb 0.57 -2.21 0.10 0.00 1.02 0.00 0.00 30.24 29.72 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2cry n THR 22 N 1.88 0.00 -3.65 5.09 -2.24 -1.26 -4.74 114.28 109.36 2cry n THR 22 Ca 0.51 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 62.05 2cry n THR 22 Cb 0.63 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.56 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry n GLN 23 N 0.26 0.64 -1.40 -0.78 0.00 -1.26 -5.04 117.38 109.80 2cry n GLN 23 Ca -0.01 -1.59 -0.25 0.00 0.00 0.00 0.00 57.00 55.16 2cry n GLN 23 Cb 0.68 1.80 -0.06 0.00 0.00 0.00 0.00 30.24 32.66 2cry n GLN 23 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 2cry n HIS 24 N -0.36 1.43 -1.27 2.61 1.44 -1.26 -4.66 115.22 113.15 2cry n HIS 24 Ca -0.04 -1.90 -0.53 0.00 -2.01 0.00 0.00 57.72 53.25 2cry n HIS 24 Cb 0.39 -1.37 -0.09 0.00 0.12 0.00 0.00 29.99 29.04 2cry n HIS 24 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cry n ALA 25 N 1.00 -0.62 -1.91 1.59 0.00 -1.26 -4.73 120.51 114.58 2cry n ALA 25 Ca 0.47 0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.94 2cry n ALA 25 Cb 0.59 -1.61 0.08 0.00 0.00 0.00 0.00 19.45 18.51 2cry n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cry s LEU 26 N 3.36 2.65 0.14 0.00 1.43 -1.26 -4.74 118.68 120.26 2cry s LEU 26 Ca 0.90 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 2cry s LEU 26 Cb -1.22 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 41.66 2cry s LEU 26 CO 0.62 -1.73 1.64 -0.74 0.23 0.00 0.00 176.35 176.37 2cry h HIS 27 N -0.87 0.76 -1.59 0.29 -0.00 -1.90 -3.18 115.15 108.65 2cry h HIS 27 Ca -0.46 -0.09 -0.71 0.00 -0.00 0.00 0.00 60.37 59.12 2cry h HIS 27 Cb 1.31 -0.21 -0.20 0.00 -0.00 0.00 0.00 27.41 28.31 2cry h HIS 27 CO 0.35 0.70 1.32 0.41 -0.00 0.00 0.00 177.93 180.71 2cry n GLY 28 N -0.60 5.33 3.83 5.26 0.00 -1.26 -4.23 105.19 113.52 2cry n GLY 28 Ca 0.01 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.70 1.95 -0.16 1.61 2.02 -1.20 -5.07 118.70 115.16 2cry s GLU 29 Ca 0.51 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 2cry s GLU 29 Cb 0.28 0.60 -0.05 0.00 0.10 0.00 0.00 34.13 35.06 2cry s GLU 29 CO -0.19 -0.91 0.24 0.15 0.02 0.00 0.00 175.26 174.57 2cry s LYS 30 N -3.03 4.15 -0.89 1.61 1.02 -1.26 -2.54 119.74 118.80 2cry s LYS 30 Ca 0.14 0.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.90 2cry s LYS 30 Cb -0.05 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.93 2cry s LYS 30 CO 0.09 0.33 1.26 0.20 -0.92 0.00 0.00 175.35 176.31 2cry s GLY 31 N 0.23 1.37 -0.39 -3.33 0.00 -0.68 -4.72 107.32 99.80 2cry s GLY 31 Ca 0.14 -2.15 -0.19 0.00 0.00 0.00 0.00 44.72 42.52 2cry s GLY 31 CO 0.03 2.42 0.56 1.62 0.00 0.00 0.00 173.10 177.73 2cry s GLN 32 N 4.42 3.43 -0.30 2.90 0.74 -1.26 -1.06 119.66 128.53 2cry s GLN 32 Ca 0.37 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.49 2cry s GLN 32 Cb -0.05 -3.88 0.07 0.00 1.10 0.00 0.00 33.01 30.24 2cry s GLN 32 CO -0.02 -0.82 -0.01 0.42 -0.55 0.00 0.00 175.29 174.31 2cry s ILE 33 N 2.55 2.58 -0.23 -2.34 1.01 -0.43 -4.78 121.20 119.56 2cry s ILE 33 Ca 0.20 -1.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.03 2cry s ILE 33 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2cry s ILE 33 CO 0.16 -0.22 0.13 -1.59 0.00 0.00 0.00 174.94 173.41 2cry s LYS 34 N 1.12 3.98 -0.19 2.79 -2.85 -1.26 -0.81 119.74 122.52 2cry s LYS 34 Ca -0.02 -0.32 -0.15 0.00 -1.00 0.00 0.00 55.97 54.47 2cry s LYS 34 Cb -0.20 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 32.09 2cry s LYS 34 CO -0.04 0.05 0.35 0.00 0.10 0.00 0.00 175.35 175.81 2cry s PHE 36 N 1.04 2.55 -0.66 0.00 0.40 0.82 -2.95 117.98 119.19 2cry s PHE 36 Ca 0.18 -0.95 -0.19 0.00 -0.60 0.00 0.00 56.93 55.37 2cry s PHE 36 Cb -0.14 -4.67 0.11 0.00 0.51 0.00 0.00 43.02 38.83 2cry s PHE 36 CO 0.07 -1.88 0.79 0.42 0.70 0.00 0.00 175.22 175.32 2cry s ILE 37 N 5.14 4.80 -0.01 0.64 1.01 -0.99 -2.82 121.20 128.97 2cry s ILE 37 Ca 0.50 -1.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2cry s ILE 37 Cb 0.01 -4.55 -0.11 0.00 0.01 0.00 0.00 42.46 37.82 2cry s ILE 37 CO -0.05 -1.21 2.70 0.54 0.00 0.00 0.00 174.94 176.92 2cry n ARG 38 N 6.36 1.44 -2.64 2.79 3.00 -0.75 -1.17 116.66 125.69 2cry n ARG 38 Ca -0.03 -0.45 -0.38 0.00 -0.01 0.00 0.00 57.85 56.98 2cry n ARG 38 Cb 0.44 -1.44 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cry s SER 39 N 1.97 7.18 -0.30 0.55 0.15 -1.26 -4.43 113.70 117.57 2cry s SER 39 Ca 0.29 2.01 0.02 0.00 0.70 0.00 0.00 55.95 58.96 2cry s SER 39 Cb 0.14 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 62.05 2cry s SER 39 CO -0.00 -0.19 0.63 -0.89 1.20 0.00 0.00 173.24 173.98 2cry s THR 40 N -1.48 -0.95 0.99 6.45 2.01 -1.26 -3.89 115.64 117.51 2cry s THR 40 Ca 0.50 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 2cry s THR 40 Cb -0.23 -0.97 0.18 0.00 0.01 0.00 0.00 72.50 71.48 2cry s THR 40 CO 0.30 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.16 2cry s PRO 41 N 2.85 0.51 0.88 4.92 0.04 -1.26 -3.07 135.00 139.87 2cry s PRO 41 Ca 0.15 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 2cry s PRO 41 Cb -0.12 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 32.80 2cry s PRO 41 CO -0.23 -2.68 1.09 -1.25 0.04 0.00 0.00 177.00 173.97 2cry s PRO 42 N -4.96 1.39 0.47 0.56 0.04 -1.25 -4.76 135.00 126.48 2cry s PRO 42 Ca 0.65 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 2cry s PRO 42 Cb -0.18 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2cry s PRO 42 CO 0.57 -2.16 1.16 -1.25 0.04 0.00 0.00 177.00 175.36 2cry s PRO 43 N -4.93 3.71 0.32 0.56 0.04 -1.26 -4.84 135.00 128.60 2cry s PRO 43 Ca 0.63 1.75 0.24 0.00 0.04 0.00 0.00 61.00 63.67 2cry s PRO 43 Cb -0.18 -2.36 0.53 0.00 0.04 0.00 0.00 34.50 32.53 2cry s PRO 43 CO 0.57 -0.59 1.65 -0.44 0.04 0.00 0.00 177.00 178.22 2cry h ASP 44 N 1.94 0.00 -5.00 6.66 3.32 0.65 -3.46 116.42 120.53 2cry h ASP 44 Ca -0.49 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 2cry h ASP 44 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 2cry h ASP 44 CO 0.60 0.00 -0.16 -0.60 -1.72 0.00 0.00 179.24 177.37 2cry s ARG 45 N -3.17 0.78 -0.05 3.56 3.52 -1.02 -5.02 118.95 117.56 2cry s ARG 45 Ca 0.08 -0.13 -0.10 0.00 -0.13 0.00 0.00 55.73 55.46 2cry s ARG 45 Cb 0.09 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 2cry s ARG 45 CO 0.65 -0.23 0.24 0.42 -0.81 0.00 0.00 175.30 175.57 2cry s ILE 46 N -1.46 0.04 -0.00 4.11 1.01 -1.26 -0.71 121.20 122.92 2cry s ILE 46 Ca -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2cry s ILE 46 Cb -0.03 -0.45 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 2cry s ILE 46 CO 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 174.94 174.85 2cry s ALA 47 N -0.65 -0.06 -0.49 9.38 0.00 -0.35 -4.54 121.76 125.06 2cry s ALA 47 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2cry s ALA 47 Cb -0.04 0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.21 2cry s ALA 47 CO 0.02 -0.06 0.27 -1.58 0.00 0.00 0.00 175.76 174.41 2cry s TRP 48 N -0.43 3.49 -0.09 0.00 0.52 0.26 -1.82 118.94 120.88 2cry s TRP 48 Ca -0.05 -2.71 0.03 0.00 0.02 0.00 0.00 56.10 53.39 2cry s TRP 48 Cb -0.03 -3.12 -0.01 0.00 -1.15 0.00 0.00 33.47 29.16 2cry s TRP 48 CO -0.00 -0.89 -0.18 -1.54 0.02 0.00 0.00 176.95 174.36 2cry s SER 49 N 1.00 3.63 0.00 2.95 1.04 -0.90 -1.84 113.70 119.58 2cry s SER 49 Ca 0.13 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2cry s SER 49 Cb -0.22 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.72 2cry s SER 49 CO -0.04 0.23 0.00 -2.67 0.98 0.00 0.00 173.24 171.74 2cry n TRP 50 N 3.07 0.00 0.00 5.02 2.14 -1.19 -2.22 117.44 124.26 2cry n TRP 50 Ca -0.18 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.39 2cry n TRP 50 Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 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 4.76 -1.26 -4.76 118.16 111.82 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 0.00 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cry n GLU 52 N -1.96 3.93 -3.09 1.97 -0.58 -1.26 -5.06 120.64 114.59 2cry n GLU 52 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2cry n GLU 52 Cb 0.00 -0.49 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2cry s ASN 53 N -0.89 6.89 -0.18 1.62 0.01 -1.26 -5.07 114.94 116.06 2cry s ASN 53 Ca 0.00 1.37 -0.04 0.00 -0.71 0.00 0.00 52.86 53.48 2cry s ASN 53 Cb 0.00 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.31 2cry s ASN 53 CO 0.00 -0.14 0.07 -0.69 -1.51 0.00 0.00 177.10 174.83 2cry s VAL 54 N -1.84 0.10 -0.38 1.60 1.01 -1.26 -3.17 120.40 116.46 2cry s VAL 54 Ca 0.51 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 2cry s VAL 54 Cb -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2cry s VAL 54 CO 0.18 -0.25 0.23 -0.22 0.00 0.00 0.00 175.10 175.04 2cry s LEU 55 N 2.05 4.75 -0.15 3.92 2.96 -0.77 -4.89 118.68 126.55 2cry s LEU 55 Ca 0.01 -0.89 -0.20 0.00 -0.22 0.00 0.00 54.13 52.83 2cry s LEU 55 Cb -0.16 -2.06 -0.18 0.00 0.50 0.00 0.00 46.19 44.28 2cry s LEU 55 CO -0.09 -0.37 0.43 -0.33 -1.32 0.00 0.00 176.35 174.67 2cry h GLU 56 N 8.48 0.00 -1.74 1.98 5.08 -1.88 0.76 114.58 127.26 2cry h GLU 56 Ca -0.27 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2cry h GLU 56 Cb 1.12 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.12 2cry h GLU 56 CO 0.68 0.74 0.31 -1.54 -1.00 0.00 0.00 179.01 178.20 2cry s SER 57 N -6.20 -0.59 0.00 1.42 1.04 -1.26 -4.67 113.70 103.43 2cry s SER 57 Ca -0.17 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2cry s SER 57 Cb -0.00 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2cry s SER 57 CO 0.50 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2cry n GLY 58 N 2.73 0.25 2.83 7.32 0.00 -1.25 -4.96 105.19 112.11 2cry n GLY 58 Ca -0.14 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 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 0.66 -0.30 2.61 2.01 -1.26 -1.95 115.64 117.42 2cry s THR 59 Ca 0.00 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2cry s THR 59 Cb 0.00 -0.79 0.08 0.00 0.01 0.00 0.00 72.50 71.80 2cry s THR 59 CO 0.00 0.27 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.64 2cry s SER 60 N 1.85 4.44 0.76 3.53 0.15 0.10 -4.97 113.70 119.56 2cry s SER 60 Ca 0.04 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2cry s SER 60 Cb -0.13 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2cry s SER 60 CO -0.07 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2cry n GLY 61 N 4.44 0.62 2.24 9.45 0.00 -1.26 -2.21 105.19 118.46 2cry n GLY 61 Ca -0.05 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 3.51 -3.75 1.61 1.74 -1.26 -4.90 116.66 113.61 2cry n ARG 62 Ca 0.00 -4.30 -0.13 0.00 -0.77 0.00 0.00 57.85 52.65 2cry n ARG 62 Cb 0.00 -2.27 -0.11 0.00 -1.02 0.00 0.00 32.46 29.07 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 -3.58 -0.40 -0.17 -1.55 2.02 -0.94 -3.68 117.35 109.05 2cry s TYR 63 Ca 0.50 0.95 -0.05 0.00 -0.37 0.00 0.00 57.07 58.11 2cry s TYR 63 Cb 0.41 0.14 0.07 0.00 -0.40 0.00 0.00 41.96 42.17 2cry s TYR 63 CO -0.07 -0.20 0.12 0.99 -1.57 0.00 0.00 175.55 174.82 2cry s THR 64 N 0.31 -0.14 0.09 -0.71 2.01 0.67 -0.72 115.64 117.15 2cry s THR 64 Ca -0.01 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 2cry s THR 64 Cb -0.03 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 2cry s THR 64 CO -0.01 -0.24 0.54 -0.69 -0.69 0.00 0.00 174.62 173.53 2cry s VAL 65 N 2.18 4.81 -0.28 3.82 1.01 -0.82 -1.17 120.40 129.94 2cry s VAL 65 Ca 0.03 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 2cry s VAL 65 Cb -0.16 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.57 2cry s VAL 65 CO -0.09 0.46 0.54 -1.61 0.00 0.00 0.00 175.10 174.40 2cry s GLU 66 N -1.36 0.51 0.03 2.72 2.02 0.27 -3.81 118.70 119.07 2cry s GLU 66 Ca 0.31 0.89 -0.18 0.00 0.02 0.00 0.00 54.97 56.00 2cry s GLU 66 Cb -0.18 0.28 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 2cry s GLU 66 CO 0.18 -0.62 0.52 0.99 0.02 0.00 0.00 175.26 176.36 2cry s THR 67 N 2.78 4.87 0.47 3.63 2.01 -1.26 -0.60 115.64 127.53 2cry s THR 67 Ca 0.19 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.32 2cry s THR 67 Cb -0.15 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2cry s THR 67 CO -0.20 0.53 0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 2cry s ILE 68 N -0.85 1.44 -0.20 1.82 1.01 -0.48 -4.96 121.20 118.98 2cry s ILE 68 Ca 0.28 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 58.94 2cry s ILE 68 Cb -0.18 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.86 2cry s ILE 68 CO 0.17 0.00 -0.12 -0.94 0.00 0.00 0.00 174.94 174.05 2cry s SER 69 N -3.81 3.40 0.48 3.58 1.04 -1.26 -2.27 113.70 114.87 2cry s SER 69 Ca 0.17 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.77 2cry s SER 69 Cb 0.05 -1.28 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 2cry s SER 69 CO 0.09 -0.13 0.21 0.42 0.98 0.00 0.00 173.24 174.81 2cry s THR 70 N 1.37 1.79 0.13 2.02 -4.23 -0.68 -4.95 115.64 111.09 2cry s THR 70 Ca -0.01 -1.71 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 2cry s THR 70 Cb -0.16 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 2cry s THR 70 CO -0.09 0.00 1.78 1.05 -0.54 0.00 0.00 174.62 176.82 2cry h GLU 71 N 1.18 0.40 -0.28 3.99 4.11 -2.00 -2.36 114.58 119.62 2cry h GLU 71 Ca -0.41 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.95 2cry h GLU 71 Cb 1.29 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2cry h GLU 71 CO 0.67 0.29 0.02 0.93 0.07 0.00 0.00 179.01 180.98 2cry h GLU 72 N 0.40 0.42 0.00 1.06 5.08 -1.96 -3.48 114.58 116.10 2cry h GLU 72 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2cry h GLU 72 Cb -0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2cry h GLU 72 CO -0.02 0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 2cry n GLY 73 N -1.03 -1.55 3.45 -3.84 0.00 -0.89 -4.36 105.19 96.97 2cry n GLY 73 Ca 0.01 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 -0.27 1.61 -7.23 -0.32 -1.69 120.40 112.50 2cry s VAL 74 Ca 0.00 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2cry s VAL 74 Cb 0.00 -2.47 0.16 0.00 0.56 0.00 0.00 36.38 34.63 2cry s VAL 74 CO 0.00 0.00 0.45 -0.63 -0.31 0.00 0.00 175.10 174.61 2cry s ILE 75 N -3.59 -0.73 -0.55 -0.62 1.01 -0.96 -2.36 121.20 113.40 2cry s ILE 75 Ca 0.30 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.58 2cry s ILE 75 Cb 0.01 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.60 2cry s ILE 75 CO 0.16 -0.13 1.04 -0.55 0.00 0.00 0.00 174.94 175.45 2cry s SER 76 N 2.64 6.41 -0.15 3.58 0.15 -1.15 -1.39 113.70 123.79 2cry s SER 76 Ca 0.13 -0.09 -0.13 0.00 0.70 0.00 0.00 55.95 56.55 2cry s SER 76 Cb -0.14 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 2cry s SER 76 CO -0.22 -1.30 0.29 -0.89 1.20 0.00 0.00 173.24 172.32 2cry s THR 77 N 4.32 5.30 -0.30 6.45 2.01 0.23 -1.56 115.64 132.10 2cry s THR 77 Ca 0.37 0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2cry s THR 77 Cb -0.10 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.87 2cry s THR 77 CO 0.23 0.41 0.01 -0.22 -0.69 0.00 0.00 174.62 174.36 2cry s LEU 78 N 0.29 3.50 0.06 4.42 2.96 0.01 -0.57 118.68 129.37 2cry s LEU 78 Ca 0.17 -1.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.22 2cry s LEU 78 Cb -0.13 -1.35 -0.06 0.00 0.50 0.00 0.00 46.19 45.15 2cry s LEU 78 CO 0.04 -0.32 0.50 -0.89 -1.32 0.00 0.00 176.35 174.36 2cry s THR 79 N 1.20 4.87 -0.35 3.68 2.01 -0.32 -1.31 115.64 125.43 2cry s THR 79 Ca 0.04 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.05 2cry s THR 79 Cb -0.19 -3.79 0.10 0.00 0.01 0.00 0.00 72.50 68.63 2cry s THR 79 CO -0.10 0.49 0.06 -0.63 -0.69 0.00 0.00 174.62 173.75 2cry s ILE 80 N -1.18 2.28 0.29 1.82 1.01 -0.23 -0.23 121.20 124.96 2cry s ILE 80 Ca 0.29 -2.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.25 2cry s ILE 80 Cb -0.17 -2.68 -0.12 0.00 0.01 0.00 0.00 42.46 39.50 2cry s ILE 80 CO 0.17 -0.61 1.60 -0.24 0.00 0.00 0.00 174.94 175.86 2cry n SER 81 N 4.20 3.87 -3.98 3.58 2.88 -1.24 -1.68 113.62 121.25 2cry n SER 81 Ca 0.04 1.15 -0.30 0.00 -1.33 0.00 0.00 58.87 58.43 2cry n SER 81 Cb 0.42 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.26 2cry n SER 81 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2cry n ASN 82 N 2.18 -1.48 -4.43 -3.46 3.02 -1.25 -4.78 115.26 105.05 2cry n ASN 82 Ca 0.09 -1.09 -0.39 0.00 -0.03 0.00 0.00 54.58 53.16 2cry n ASN 82 Cb 0.37 -2.71 0.03 0.00 -0.61 0.00 0.00 39.78 36.85 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 -4.47 1.81 -4.43 2.41 3.06 -1.05 -4.99 119.36 111.70 2cry n ILE 83 Ca -0.25 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.28 2cry n ILE 83 Cb 0.66 -0.55 -0.10 0.00 0.54 0.00 0.00 39.64 40.18 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 -1.72 2.22 0.55 9.51 -7.23 -1.26 -4.75 120.40 117.72 2cry s VAL 84 Ca 0.66 -2.33 0.32 0.00 -1.81 0.00 0.00 61.98 58.82 2cry s VAL 84 Cb -0.48 -2.21 0.49 0.00 0.56 0.00 0.00 36.38 34.74 2cry s VAL 84 CO 0.57 -0.47 1.86 0.03 -0.31 0.00 0.00 175.10 176.78 2cry h ARG 85 N 2.39 0.00 -0.57 4.82 3.08 -1.95 0.34 114.38 122.49 2cry h ARG 85 Ca -0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 2cry h ARG 85 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 2cry h ARG 85 CO 0.61 0.00 0.13 0.00 -1.07 0.00 0.00 179.97 179.63 2cry h ALA 86 N 1.48 1.15 -0.11 0.04 0.00 -1.99 -2.09 119.26 117.73 2cry h ALA 86 Ca 0.43 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2cry h ALA 86 Cb 1.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2cry h ALA 86 CO -0.00 0.57 0.23 -0.44 0.00 0.00 0.00 179.25 179.60 2cry h ASP 87 N 0.85 0.00 0.18 0.00 5.19 -0.65 0.20 116.42 122.19 2cry h ASP 87 Ca 0.18 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.28 2cry h ASP 87 Cb 0.33 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.85 2cry h ASP 87 CO 0.00 0.00 -1.54 -0.26 -3.12 0.00 0.00 179.24 174.32 2cry h PHE 88 N 0.00 0.70 0.00 4.55 0.04 -1.46 -3.33 116.94 117.44 2cry h PHE 88 Ca 0.05 -0.51 -0.09 0.00 2.80 0.00 0.00 57.97 60.22 2cry h PHE 88 Cb 0.51 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2cry h PHE 88 CO 0.00 1.60 -0.44 1.96 -0.60 0.00 0.00 178.31 180.83 2cry h GLN 89 N -0.02 0.00 -6.42 1.51 4.20 -1.07 -3.37 115.11 109.93 2cry h GLN 89 Ca -0.30 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.87 2cry h GLN 89 Cb 1.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 2cry h GLN 89 CO 0.17 0.44 0.38 0.99 -0.67 0.00 0.00 178.83 180.14 2cry s THR 90 N -3.50 4.81 0.07 -0.54 2.01 0.56 -5.02 115.64 114.03 2cry s THR 90 Ca 0.00 2.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.76 2cry s THR 90 Cb 0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2cry s THR 90 CO 0.71 0.17 0.88 -0.63 -0.69 0.00 0.00 174.62 175.05 2cry s ILE 91 N 0.93 4.63 -0.00 1.82 1.09 -1.26 -4.59 121.20 123.82 2cry s ILE 91 Ca 0.52 1.88 -0.02 0.00 -1.10 0.00 0.00 60.65 61.93 2cry s ILE 91 Cb -0.21 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 2cry s ILE 91 CO 0.28 0.33 0.14 -0.31 -0.10 0.00 0.00 174.94 175.28 2cry s TYR 92 N 0.05 3.44 -0.08 3.97 2.02 -1.03 -4.17 117.35 121.55 2cry s TYR 92 Ca 0.44 0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.39 2cry s TYR 92 Cb -0.22 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2cry s TYR 92 CO 0.27 0.61 0.17 -0.80 -1.57 0.00 0.00 175.55 174.22 2cry s ASN 93 N -1.91 0.33 -0.26 2.29 0.01 -0.94 -1.31 114.94 113.15 2cry s ASN 93 Ca 0.26 0.35 -0.08 0.00 -0.71 0.00 0.00 52.86 52.69 2cry s ASN 93 Cb -0.12 0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.80 2cry s ASN 93 CO 0.18 -0.20 0.09 0.00 -1.51 0.00 0.00 177.10 175.65 2cry s THR 95 N 1.61 2.67 0.30 0.00 2.01 -0.76 -2.97 115.64 118.51 2cry s THR 95 Ca 0.06 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.32 2cry s THR 95 Cb -0.16 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2cry s THR 95 CO 0.04 0.56 -0.12 0.00 -0.69 0.00 0.00 174.62 174.41 2cry s ALA 96 N -0.05 2.65 -0.03 7.40 0.00 -1.04 -1.21 121.76 129.48 2cry s ALA 96 Ca -0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 51.96 49.96 2cry s ALA 96 Cb -0.14 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2cry s ALA 96 CO 0.04 0.09 0.03 -1.58 0.00 0.00 0.00 175.76 174.35 2cry s TRP 97 N -2.72 0.13 0.15 0.00 0.51 0.11 -3.52 118.94 113.60 2cry s TRP 97 Ca 0.30 0.13 0.03 0.00 -2.12 0.00 0.00 56.10 54.44 2cry s TRP 97 Cb 0.00 -0.38 -0.04 0.00 -0.81 0.00 0.00 33.47 32.24 2cry s TRP 97 CO 0.14 -0.14 -0.05 1.21 -0.51 0.00 0.00 176.95 177.60 2cry s ASN 98 N 1.47 1.42 0.43 2.95 2.47 -0.17 0.13 114.94 123.64 2cry s ASN 98 Ca -0.04 -1.08 0.25 0.00 0.42 0.00 0.00 52.86 52.40 2cry s ASN 98 Cb -0.13 0.06 1.35 0.00 -1.45 0.00 0.00 41.25 41.08 2cry s ASN 98 CO -0.03 -0.46 1.73 -1.28 -3.72 0.00 0.00 177.10 173.34 2cry h SER 99 N 2.77 0.00 0.00 -4.21 0.87 -1.94 -2.09 113.55 108.96 2cry h SER 99 Ca -0.36 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.04 2cry h SER 99 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 2cry h SER 99 CO 0.64 0.00 -0.91 -0.26 -0.53 0.00 0.00 176.83 175.77 2cry h PHE 100 N 0.00 0.00 0.00 2.24 0.04 -1.95 -3.51 116.94 113.76 2cry h PHE 100 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2cry h PHE 100 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2cry h PHE 100 CO 0.00 1.19 0.00 0.41 -0.60 0.00 0.00 178.31 179.31 2cry n GLY 101 N 1.50 1.47 3.79 -1.45 0.00 -0.79 -4.76 105.19 104.95 2cry n GLY 101 Ca -0.24 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 -0.01 1.61 1.04 -1.26 -1.00 113.70 115.95 2cry s SER 102 Ca 0.00 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.33 2cry s SER 102 Cb 0.00 0.73 0.10 0.00 0.10 0.00 0.00 66.02 66.95 2cry s SER 102 CO 0.00 -1.38 0.91 -1.81 0.98 0.00 0.00 173.24 171.94 2cry s ASP 103 N -2.98 -0.34 0.11 7.02 1.01 -1.23 -4.72 116.67 115.53 2cry s ASP 103 Ca 0.15 -0.02 -0.07 0.00 0.71 0.00 0.00 52.55 53.32 2cry s ASP 103 Cb -0.05 0.37 -0.01 0.00 1.01 0.00 0.00 42.92 44.24 2cry s ASP 103 CO 0.09 -0.61 0.17 -0.89 0.21 0.00 0.00 175.17 174.14 2cry s THR 104 N -3.08 0.13 -0.10 -1.27 2.01 -1.26 -2.49 115.64 109.57 2cry s THR 104 Ca 0.06 -1.39 -0.18 0.00 0.31 0.00 0.00 61.69 60.49 2cry s THR 104 Cb -0.01 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.99 2cry s THR 104 CO -0.08 -0.59 0.45 -0.70 -0.69 0.00 0.00 174.62 173.00 2cry s GLU 105 N -3.91 0.66 0.08 4.92 2.56 -1.16 -4.94 118.70 116.92 2cry s GLU 105 Ca 0.10 0.31 -0.01 0.00 0.00 0.00 0.00 54.97 55.38 2cry s GLU 105 Cb 0.05 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.45 2cry s GLU 105 CO -0.07 -0.15 0.25 0.42 -0.56 0.00 0.00 175.26 175.15 2cry s ILE 106 N -0.49 5.35 -0.21 -3.70 1.01 -1.26 -2.49 121.20 119.40 2cry s ILE 106 Ca -0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2cry s ILE 106 Cb -0.03 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2cry s ILE 106 CO 0.03 0.10 0.24 -0.63 0.00 0.00 0.00 174.94 174.69 2cry s ILE 107 N -1.56 -0.37 -0.70 2.92 1.09 -0.43 -4.99 121.20 117.16 2cry s ILE 107 Ca 0.36 -0.10 -0.20 0.00 -1.10 0.00 0.00 60.65 59.61 2cry s ILE 107 Cb -0.13 -0.69 0.10 0.00 -1.06 0.00 0.00 42.46 40.68 2cry s ILE 107 CO 0.28 -0.19 0.89 -0.13 -0.10 0.00 0.00 174.94 175.69 2cry s ARG 108 N 2.36 3.22 -0.13 2.79 3.00 -1.26 -2.46 118.95 126.48 2cry s ARG 108 Ca 0.08 -1.32 -0.29 0.00 0.00 0.00 0.00 55.73 54.20 2cry s ARG 108 Cb -0.16 -4.41 -0.03 0.00 0.00 0.00 0.00 34.95 30.36 2cry s ARG 108 CO -0.13 -1.68 1.38 -1.17 0.00 0.00 0.00 175.30 173.71 2cry s LEU 109 N 3.02 4.23 0.10 2.53 2.96 -1.26 -5.01 118.68 125.24 2cry s LEU 109 Ca 0.20 1.86 -0.03 0.00 -0.22 0.00 0.00 54.13 55.94 2cry s LEU 109 Cb -0.17 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 2cry s LEU 109 CO 0.03 -0.80 0.30 -0.54 -1.32 0.00 0.00 176.35 174.01 2cry s LYS 110 N 3.60 3.54 0.12 1.98 1.02 -1.26 -4.15 119.74 124.59 2cry s LYS 110 Ca 0.60 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 56.11 2cry s LYS 110 Cb -0.25 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 2cry s LYS 110 CO 0.19 0.54 1.66 1.49 -0.92 0.00 0.00 175.35 178.32 2cry h GLU 111 N 2.99 -0.25 -2.98 1.68 4.57 -1.90 -3.40 114.58 115.28 2cry h GLU 111 Ca -0.46 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 2cry h GLU 111 Cb 1.16 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 29.67 2cry h GLU 111 CO 0.74 -0.17 0.06 -1.14 -1.18 0.00 0.00 179.01 177.32 2cry s GLN 112 N -6.12 1.11 0.98 1.92 0.74 -1.26 -4.22 119.66 112.80 2cry s GLN 112 Ca -0.15 -0.41 -0.16 0.00 0.05 0.00 0.00 55.36 54.70 2cry s GLN 112 Cb 0.09 0.50 -0.09 0.00 1.10 0.00 0.00 33.01 34.61 2cry s GLN 112 CO 0.67 -0.43 -0.43 0.41 -0.55 0.00 0.00 175.29 174.96 2cry n GLY 113 N 0.05 -3.84 3.23 2.59 0.00 -1.26 -5.01 105.19 100.94 2cry n GLY 113 Ca -0.17 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.31 -0.68 -0.14 1.61 0.01 -1.26 -5.12 113.70 106.80 2cry s SER 114 Ca 0.45 0.91 -0.41 0.00 1.31 0.00 0.00 55.95 58.20 2cry s SER 114 Cb -0.19 1.76 -0.19 0.00 0.21 0.00 0.00 66.02 67.61 2cry s SER 114 CO 0.78 -0.25 1.31 1.21 0.41 0.00 0.00 173.24 176.70 2cry n GLU 115 N 5.41 0.27 -1.20 12.44 2.13 -1.26 -4.84 120.64 133.59 2cry n GLU 115 Ca -0.06 0.10 -0.35 0.00 0.66 0.00 0.00 57.16 57.51 2cry n GLU 115 Cb 0.50 -1.63 0.09 0.00 0.27 0.00 0.00 31.44 30.67 2cry n GLU 115 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2cry n MET 116 N 2.65 0.26 -4.24 5.31 0.00 -1.26 -5.03 117.12 114.80 2cry n MET 116 Ca 0.23 0.14 -0.14 0.00 -0.00 0.00 0.00 57.70 57.94 2cry n MET 116 Cb 0.06 -2.05 -0.10 0.00 0.00 0.00 0.00 33.22 31.13 2cry n MET 116 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2cry s SER 117 N -1.71 1.22 0.00 6.12 1.04 -1.26 -5.03 113.70 114.09 2cry s SER 117 Ca 0.68 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2cry s SER 117 Cb -0.32 0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2cry s SER 117 CO 0.56 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2cry n GLY 118 N -0.25 0.72 0.20 7.32 0.00 -1.26 -4.81 105.19 107.11 2cry n GLY 118 Ca -0.06 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 2cry n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry h PRO 119 N 0.00 0.37 -7.45 1.61 0.13 -2.07 -3.45 132.00 121.14 2cry h PRO 119 Ca 0.00 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 2cry h PRO 119 Cb 0.00 0.01 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2cry h PRO 119 CO 0.00 0.75 0.32 -1.54 -0.23 0.00 0.00 178.00 177.30 2cry s SER 120 N -6.87 4.69 0.00 1.44 1.04 -1.26 -5.04 113.70 107.69 2cry s SER 120 Ca -0.06 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2cry s SER 120 Cb 0.13 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2cry s SER 120 CO 0.80 -1.73 0.00 -1.20 0.98 0.00 0.00 173.24 172.08 2cry n SER 121 N -3.11 0.86 0.00 7.02 7.64 -1.26 -4.87 113.62 119.91 2cry n SER 121 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2cry n SER 121 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64