#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 -0.10 0.12 1.61 1.04 -1.26 -5.16 113.70 109.95 2cry s SER 2 Ca 0.00 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 2cry s SER 2 Cb 0.00 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 2cry s SER 2 CO 0.00 -0.97 0.57 -0.44 0.98 0.00 0.00 173.24 173.38 2cry s SER 3 N -2.92 6.94 0.00 7.02 0.01 -1.26 -5.08 113.70 118.41 2cry s SER 3 Ca 0.13 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2cry s SER 3 Cb 0.01 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2cry s SER 3 CO -0.01 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2cry n GLY 4 N 1.20 6.57 3.13 3.44 0.00 -1.26 -5.16 105.19 113.11 2cry n GLY 4 Ca -0.07 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.22 2cry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 5 N 1.00 -1.09 -0.29 1.61 1.04 -1.26 -5.14 113.70 109.56 2cry s SER 5 Ca 0.00 0.80 -0.14 0.00 0.48 0.00 0.00 55.95 57.09 2cry s SER 5 Cb 0.00 1.99 0.14 0.00 0.10 0.00 0.00 66.02 68.25 2cry s SER 5 CO 0.00 -0.26 0.86 -0.94 0.98 0.00 0.00 173.24 173.88 2cry s SER 6 N 2.81 -0.75 0.00 7.02 1.04 -1.26 -5.14 113.70 117.42 2cry s SER 6 Ca 0.18 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2cry s SER 6 Cb -0.15 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.63 2cry s SER 6 CO -0.20 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2cry n GLY 7 N 4.67 -0.53 3.73 7.32 0.00 -1.26 -5.15 105.19 113.97 2cry n GLY 7 Ca -0.14 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2cry n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cry s THR 8 N 0.00 2.04 -0.03 2.61 -4.23 -1.26 -5.15 115.64 109.63 2cry s THR 8 Ca 0.00 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2cry s THR 8 Cb 0.00 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 2cry s THR 8 CO 0.00 0.00 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.15 2cry s LEU 9 N -3.90 1.97 -0.19 4.79 1.43 -1.26 -5.13 118.68 116.39 2cry s LEU 9 Ca 0.35 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 2cry s LEU 9 Cb 0.04 -0.94 0.15 0.00 0.03 0.00 0.00 46.19 45.47 2cry s LEU 9 CO 0.19 0.19 1.14 0.28 0.23 0.00 0.00 176.35 178.38 2cry s THR 10 N -0.19 0.00 0.02 5.49 -1.32 -1.26 -5.18 115.64 113.20 2cry s THR 10 Ca 0.02 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 2cry s THR 10 Cb -0.09 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2cry s THR 10 CO 0.01 0.00 -0.01 0.68 -2.21 0.00 0.00 174.62 173.09 2cry s VAL 11 N -1.51 0.10 -0.03 5.08 -7.23 -1.26 -5.16 120.40 110.40 2cry s VAL 11 Ca 0.04 -0.85 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2cry s VAL 11 Cb -0.01 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 2cry s VAL 11 CO -0.03 -0.47 -0.24 0.20 -0.31 0.00 0.00 175.10 174.25 2cry s ASN 12 N -1.39 2.86 0.00 4.85 -0.87 -1.26 -4.73 114.94 114.39 2cry s ASN 12 Ca -0.15 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 2cry s ASN 12 Cb -0.09 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.73 2cry s ASN 12 CO -0.01 0.29 0.00 0.61 -2.57 0.00 0.00 177.10 175.42 2cry n GLY 13 N 2.58 1.09 3.70 0.66 0.00 -0.86 -4.98 105.19 107.39 2cry n GLY 13 Ca -0.16 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 1.12 0.97 -0.06 1.61 0.04 -1.26 -4.28 135.00 133.14 2cry s PRO 14 Ca 0.00 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 2cry s PRO 14 Cb 0.00 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2cry s PRO 14 CO 0.00 -2.41 1.49 -1.25 0.04 0.00 0.00 177.00 174.87 2cry s PRO 15 N -4.94 4.22 -0.26 0.56 0.04 -1.26 -4.55 135.00 128.80 2cry s PRO 15 Ca 0.64 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 2cry s PRO 15 Cb -0.18 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 2cry s PRO 15 CO 0.57 -0.73 0.22 0.42 0.04 0.00 0.00 177.00 177.52 2cry s ILE 16 N 3.37 5.30 -0.35 0.56 1.01 -1.26 -4.38 121.20 125.44 2cry s ILE 16 Ca 0.66 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 61.51 2cry s ILE 16 Cb -0.30 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.66 2cry s ILE 16 CO 0.25 0.26 0.12 -0.63 0.00 0.00 0.00 174.94 174.94 2cry s ILE 17 N 1.60 3.75 0.00 2.92 1.01 -1.26 -1.53 121.20 127.70 2cry s ILE 17 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2cry s ILE 17 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2cry s ILE 17 CO 0.09 -0.23 0.00 -0.24 0.00 0.00 0.00 174.94 174.56 2cry n SER 18 N 4.80 0.00 -3.53 3.58 2.88 -1.22 -4.92 113.62 115.21 2cry n SER 18 Ca -0.12 0.37 -0.02 0.00 -1.33 0.00 0.00 58.87 57.77 2cry n SER 18 Cb 0.44 -0.47 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2cry n SER 18 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cry s SER 19 N -3.06 -0.04 0.52 -3.46 0.15 -1.26 -5.03 113.70 101.51 2cry s SER 19 Ca 0.00 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2cry s SER 19 Cb 0.00 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2cry s SER 19 CO 0.00 -0.80 0.37 0.42 1.20 0.00 0.00 173.24 174.44 2cry s THR 20 N -2.39 1.81 -0.59 6.45 -4.23 -1.26 0.42 115.64 115.85 2cry s THR 20 Ca 0.20 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2cry s THR 20 Cb -0.01 -2.31 0.45 0.00 1.34 0.00 0.00 72.50 71.96 2cry s THR 20 CO 0.03 0.00 1.83 1.67 -0.54 0.00 0.00 174.62 177.60 2cry n GLN 21 N -1.68 2.92 -0.97 3.99 7.27 -0.04 -4.88 117.38 123.99 2cry n GLN 21 Ca -0.01 -3.53 -0.32 0.00 0.07 0.00 0.00 57.00 53.21 2cry n GLN 21 Cb 0.64 -2.29 0.02 0.00 2.41 0.00 0.00 30.24 31.02 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 -0.84 0.00 -3.78 1.69 -2.24 -1.26 -4.79 114.28 103.06 2cry n THR 22 Ca 0.58 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2cry n THR 22 Cb 0.71 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.22 1.23 -1.07 -0.78 0.00 -1.26 -5.08 119.66 111.48 2cry s GLN 23 Ca 0.42 -0.92 -0.22 0.00 -0.00 0.00 0.00 55.36 54.63 2cry s GLN 23 Cb -0.30 0.46 0.01 0.00 0.00 0.00 0.00 33.01 33.17 2cry s GLN 23 CO 0.62 -0.49 1.72 -1.01 0.00 0.00 0.00 175.29 176.13 2cry s HIS 24 N -3.89 2.29 0.03 9.60 3.76 -1.26 -4.49 115.29 121.33 2cry s HIS 24 Ca 0.10 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 2cry s HIS 24 Cb 0.01 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.24 2cry s HIS 24 CO -0.04 -1.74 1.04 0.00 -0.85 0.00 0.00 174.74 173.14 2cry s ALA 25 N 7.20 3.23 0.23 -1.40 0.00 -1.24 -4.48 121.76 125.31 2cry s ALA 25 Ca 0.58 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 2cry s ALA 25 Cb -0.01 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 2cry s ALA 25 CO -0.00 -0.26 0.54 -1.17 0.00 0.00 0.00 175.76 174.87 2cry s LEU 26 N 0.90 4.16 0.02 0.00 0.20 -1.26 -4.20 118.68 118.50 2cry s LEU 26 Ca 0.53 0.88 -0.05 0.00 0.69 0.00 0.00 54.13 56.18 2cry s LEU 26 Cb -0.24 -3.65 -0.01 0.00 -0.43 0.00 0.00 46.19 41.87 2cry s LEU 26 CO 0.29 -0.08 0.80 1.41 -0.29 0.00 0.00 176.35 178.48 2cry n HIS 27 N -0.22 -0.07 0.00 5.38 8.25 -1.26 -2.08 115.22 125.22 2cry n HIS 27 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2cry n HIS 27 Cb 0.52 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2cry n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cry n GLY 28 N -1.04 -3.24 3.15 -1.41 0.00 -1.26 -4.05 105.19 97.33 2cry n GLY 28 Ca 0.00 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 2cry n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cry n GLU 29 N -2.00 -0.96 -3.86 1.61 -0.58 -0.88 -4.65 120.64 109.32 2cry n GLU 29 Ca 0.00 -0.27 -0.33 0.00 -0.42 0.00 0.00 57.16 56.14 2cry n GLU 29 Cb 0.00 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cry s LYS 30 N -2.82 3.49 -0.66 3.49 1.02 -1.26 -4.49 119.74 118.50 2cry s LYS 30 Ca 0.47 -0.28 -0.27 0.00 0.02 0.00 0.00 55.97 55.90 2cry s LYS 30 Cb -0.02 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 2cry s LYS 30 CO 0.65 0.63 1.21 0.20 -0.92 0.00 0.00 175.35 177.12 2cry s GLY 31 N -2.11 1.04 -0.08 -3.33 0.00 0.63 -4.74 107.32 98.72 2cry s GLY 31 Ca 0.31 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 2cry s GLY 31 CO 0.22 2.53 0.14 1.62 0.00 0.00 0.00 173.10 177.61 2cry s GLN 32 N 5.24 3.41 -0.21 2.90 0.74 -1.26 -0.82 119.66 129.67 2cry s GLN 32 Ca 0.38 -0.20 -0.04 0.00 0.05 0.00 0.00 55.36 55.55 2cry s GLN 32 Cb -0.08 -3.14 0.10 0.00 1.10 0.00 0.00 33.01 30.99 2cry s GLN 32 CO 0.20 0.74 0.24 0.42 -0.55 0.00 0.00 175.29 176.34 2cry s ILE 33 N -1.11 -0.36 -0.24 -2.34 1.01 -0.44 -4.54 121.20 113.18 2cry s ILE 33 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 2cry s ILE 33 Cb -0.12 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2cry s ILE 33 CO 0.08 -0.20 0.09 -1.59 0.00 0.00 0.00 174.94 173.32 2cry s LYS 34 N 2.35 3.75 -0.30 2.79 -2.85 -1.26 -0.68 119.74 123.54 2cry s LYS 34 Ca 0.08 -0.43 -0.17 0.00 -1.00 0.00 0.00 55.97 54.45 2cry s LYS 34 Cb -0.16 -3.35 -0.02 0.00 -2.06 0.00 0.00 37.83 32.24 2cry s LYS 34 CO -0.13 -0.11 0.46 0.00 0.10 0.00 0.00 175.35 175.67 2cry s PHE 36 N 2.24 1.69 -0.55 0.00 0.40 0.17 -3.30 117.98 118.62 2cry s PHE 36 Ca 0.17 0.97 -0.23 0.00 -0.60 0.00 0.00 56.93 57.25 2cry s PHE 36 Cb -0.16 -3.86 0.05 0.00 0.51 0.00 0.00 43.02 39.56 2cry s PHE 36 CO 0.11 -1.43 0.87 0.42 0.70 0.00 0.00 175.22 175.89 2cry s ILE 37 N 11.87 4.50 -0.41 0.64 1.01 -0.52 -3.44 121.20 134.85 2cry s ILE 37 Ca 0.74 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 2cry s ILE 37 Cb -0.06 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 38.05 2cry s ILE 37 CO 0.07 -1.06 2.47 0.54 0.00 0.00 0.00 174.94 176.96 2cry n ARG 38 N 7.18 2.18 -2.68 2.79 1.74 -0.58 -0.31 116.66 126.98 2cry n ARG 38 Ca -0.00 -2.08 -0.41 0.00 -0.77 0.00 0.00 57.85 54.59 2cry n ARG 38 Cb 0.47 -1.95 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 2cry n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cry s SER 39 N 0.22 7.49 -0.28 0.55 0.01 -1.26 -4.31 113.70 116.13 2cry s SER 39 Ca 0.49 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2cry s SER 39 Cb 0.34 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 64.13 2cry s SER 39 CO -0.13 -0.03 0.45 -0.89 0.41 0.00 0.00 173.24 173.05 2cry s THR 40 N -0.50 -0.73 1.02 1.44 2.01 -1.26 -3.56 115.64 114.05 2cry s THR 40 Ca 0.45 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 2cry s THR 40 Cb -0.26 -0.93 0.20 0.00 0.01 0.00 0.00 72.50 71.52 2cry s THR 40 CO 0.32 -0.15 1.09 -2.16 -0.69 0.00 0.00 174.62 173.04 2cry s PRO 41 N 2.63 0.29 0.75 4.92 0.04 -1.26 -2.02 135.00 140.36 2cry s PRO 41 Ca 0.13 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 2cry s PRO 41 Cb -0.14 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.73 2cry s PRO 41 CO -0.23 -2.82 1.10 -1.25 0.04 0.00 0.00 177.00 173.83 2cry s PRO 42 N -4.96 2.34 0.55 0.56 0.04 -1.23 -4.76 135.00 127.54 2cry s PRO 42 Ca 0.66 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.72 2cry s PRO 42 Cb -0.19 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2cry s PRO 42 CO 0.58 -1.58 1.13 -1.25 0.04 0.00 0.00 177.00 175.91 2cry s PRO 43 N -4.76 3.31 0.26 0.56 0.04 -1.26 -4.88 135.00 128.27 2cry s PRO 43 Ca 0.62 1.59 0.23 0.00 0.04 0.00 0.00 61.00 63.48 2cry s PRO 43 Cb -0.18 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.64 2cry s PRO 43 CO 0.53 -0.88 1.37 -0.44 0.04 0.00 0.00 177.00 177.63 2cry h ASP 44 N 1.09 0.00 -5.04 6.66 3.32 -0.61 -3.47 116.42 118.37 2cry h ASP 44 Ca -0.50 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 2cry h ASP 44 Cb 1.26 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.64 2cry h ASP 44 CO 0.57 0.02 -0.24 -0.60 -1.72 0.00 0.00 179.24 177.27 2cry s ARG 45 N -3.24 0.79 -0.12 3.56 3.52 -0.99 -5.01 118.95 117.46 2cry s ARG 45 Ca 0.05 -0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 55.09 2cry s ARG 45 Cb 0.09 0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2cry s ARG 45 CO 0.71 -0.25 0.35 0.42 -0.81 0.00 0.00 175.30 175.72 2cry s ILE 46 N -2.30 0.01 -0.02 4.11 1.01 -1.26 -0.46 121.20 122.29 2cry s ILE 46 Ca -0.07 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2cry s ILE 46 Cb -0.02 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2cry s ILE 46 CO -0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 174.94 174.77 2cry s ALA 47 N 0.03 1.09 -0.43 9.38 0.00 0.74 -4.33 121.76 128.23 2cry s ALA 47 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2cry s ALA 47 Cb -0.03 -0.30 0.12 0.00 0.00 0.00 0.00 23.12 22.90 2cry s ALA 47 CO 0.01 0.25 0.19 -1.58 0.00 0.00 0.00 175.76 174.63 2cry s TRP 48 N -0.19 3.58 -0.07 0.00 0.52 0.65 -1.09 118.94 122.34 2cry s TRP 48 Ca 0.03 -2.74 0.05 0.00 0.02 0.00 0.00 56.10 53.46 2cry s TRP 48 Cb -0.06 -3.08 -0.01 0.00 -1.15 0.00 0.00 33.47 29.17 2cry s TRP 48 CO -0.00 -0.92 -0.23 -1.54 0.02 0.00 0.00 176.95 174.28 2cry s SER 49 N 1.13 2.90 -0.07 2.95 1.04 -0.90 -1.21 113.70 119.54 2cry s SER 49 Ca 0.11 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 2cry s SER 49 Cb -0.22 -0.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.89 2cry s SER 49 CO -0.05 0.20 -0.15 -2.67 0.98 0.00 0.00 173.24 171.55 2cry n TRP 50 N 3.19 0.00 0.00 5.02 2.14 -1.18 -2.20 117.44 124.41 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 -0.21 0.00 0.00 -0.81 0.00 0.00 31.31 30.82 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 -3.34 0.00 0.00 -2.67 4.76 -1.26 -4.66 118.16 110.99 2cry n LYS 51 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2cry n LYS 51 Cb 0.22 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 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 -2.06 2.87 -3.09 1.97 -0.58 -1.26 -5.05 120.64 113.45 2cry n GLU 52 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2cry n GLU 52 Cb 0.00 -0.69 -0.06 0.00 -0.57 0.00 0.00 31.44 30.12 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 -1.22 7.13 -0.06 1.62 0.01 -1.26 -5.07 114.94 116.08 2cry s ASN 53 Ca 0.00 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.61 2cry s ASN 53 Cb 0.00 -2.43 0.02 0.00 0.41 0.00 0.00 41.25 39.25 2cry s ASN 53 CO 0.00 0.09 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.95 2cry s VAL 54 N -1.40 0.60 -0.24 1.60 1.01 -1.26 -3.09 120.40 117.62 2cry s VAL 54 Ca 0.40 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2cry s VAL 54 Cb -0.18 -0.66 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2cry s VAL 54 CO 0.22 0.27 -0.08 -0.22 0.00 0.00 0.00 175.10 175.28 2cry s LEU 55 N 1.34 2.84 -0.10 3.92 2.96 -0.35 -4.91 118.68 124.37 2cry s LEU 55 Ca -0.04 -1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 52.50 2cry s LEU 55 Cb -0.14 -1.32 -0.28 0.00 0.50 0.00 0.00 46.19 44.96 2cry s LEU 55 CO -0.02 -0.20 0.58 -0.33 -1.32 0.00 0.00 176.35 175.06 2cry h GLU 56 N 7.89 0.25 -1.46 1.98 5.08 -1.87 0.19 114.58 126.65 2cry h GLU 56 Ca -0.20 -0.43 0.11 0.00 -1.00 0.00 0.00 59.36 57.84 2cry h GLU 56 Cb 1.06 0.16 -0.25 0.00 0.50 0.00 0.00 28.75 30.23 2cry h GLU 56 CO 0.44 1.21 0.62 -1.54 -1.00 0.00 0.00 179.01 178.73 2cry s SER 57 N -7.04 -0.31 0.00 1.42 1.04 -1.26 -4.67 113.70 102.88 2cry s SER 57 Ca -0.19 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2cry s SER 57 Cb 0.04 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2cry s SER 57 CO 0.77 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.36 2cry n GLY 58 N 1.01 0.02 2.87 7.32 0.00 -1.25 -4.91 105.19 110.25 2cry n GLY 58 Ca -0.09 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 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 0.98 0.24 2.61 2.01 -1.26 -2.27 115.64 117.95 2cry s THR 59 Ca 0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2cry s THR 59 Cb 0.00 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.37 2cry s THR 59 CO 0.00 0.15 0.16 -0.24 -0.69 0.00 0.00 174.62 174.01 2cry n SER 60 N 4.92 1.87 -4.49 3.53 2.88 0.11 -4.92 113.62 117.53 2cry n SER 60 Ca -0.11 -1.86 -0.18 0.00 -1.33 0.00 0.00 58.87 55.38 2cry n SER 60 Cb 0.48 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.77 2cry n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cry n GLY 61 N 2.05 -0.37 3.05 0.46 0.00 -1.26 -0.08 105.19 109.05 2cry n GLY 61 Ca -0.02 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 6.43 -5.63 -3.89 1.61 1.74 -1.26 -4.96 116.66 110.70 2cry n ARG 62 Ca 0.57 0.70 -0.10 0.00 -0.77 0.00 0.00 57.85 58.25 2cry n ARG 62 Cb 0.25 -5.25 -0.10 0.00 -1.02 0.00 0.00 32.46 26.35 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 -3.19 0.10 -0.29 -1.55 2.02 0.88 -2.76 117.35 112.56 2cry s TYR 63 Ca 0.40 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.80 2cry s TYR 63 Cb -0.18 -0.08 0.18 0.00 -0.40 0.00 0.00 41.96 41.48 2cry s TYR 63 CO 0.49 -0.31 0.58 0.99 -1.57 0.00 0.00 175.55 175.73 2cry s THR 64 N -1.82 -0.95 -0.06 -0.71 2.01 -0.71 0.06 115.64 113.47 2cry s THR 64 Ca -0.11 -0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 2cry s THR 64 Cb -0.06 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2cry s THR 64 CO -0.01 -0.01 0.39 -0.69 -0.69 0.00 0.00 174.62 173.62 2cry s VAL 65 N 2.83 5.13 -0.11 3.82 1.01 -0.96 -1.06 120.40 131.05 2cry s VAL 65 Ca 0.17 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2cry s VAL 65 Cb -0.15 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2cry s VAL 65 CO -0.20 0.49 0.25 -1.61 0.00 0.00 0.00 175.10 174.03 2cry s GLU 66 N -0.42 0.19 -0.08 2.72 2.02 -0.14 -3.83 118.70 119.16 2cry s GLU 66 Ca 0.23 0.60 -0.03 0.00 0.02 0.00 0.00 54.97 55.79 2cry s GLU 66 Cb -0.16 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.94 2cry s GLU 66 CO 0.11 -0.20 0.04 0.99 0.02 0.00 0.00 175.26 176.22 2cry s THR 67 N 1.61 4.63 0.16 3.63 2.01 -1.26 0.64 115.64 127.06 2cry s THR 67 Ca -0.06 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2cry s THR 67 Cb -0.11 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2cry s THR 67 CO -0.09 0.57 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 2cry s ILE 68 N -0.97 1.46 -0.28 1.82 1.01 0.57 -4.94 121.20 119.88 2cry s ILE 68 Ca 0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 60.65 58.71 2cry s ILE 68 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2cry s ILE 68 CO 0.05 -0.57 0.10 -0.94 0.00 0.00 0.00 174.94 173.58 2cry s SER 69 N -2.99 5.32 0.54 3.58 1.04 -1.26 -0.35 113.70 119.58 2cry s SER 69 Ca 0.16 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.25 2cry s SER 69 Cb -0.01 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.17 2cry s SER 69 CO 0.04 -0.11 0.17 0.35 0.98 0.00 0.00 173.24 174.67 2cry n THR 70 N 4.94 0.00 -0.07 2.02 -2.24 -0.59 -4.94 114.28 113.40 2cry n THR 70 Ca -0.15 -2.37 -0.10 0.00 -2.27 0.00 0.00 64.05 59.15 2cry n THR 70 Cb 0.50 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2cry n THR 70 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cry h GLU 71 N 0.00 0.36 -0.33 -0.78 4.11 -1.98 -2.76 114.58 113.20 2cry h GLU 71 Ca -0.40 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 58.91 2cry h GLU 71 Cb 1.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2cry h GLU 71 CO 0.66 0.37 -0.06 1.05 0.07 0.00 0.00 179.01 181.10 2cry h GLU 72 N 0.25 0.53 0.00 1.06 4.11 -1.96 -3.48 114.58 115.09 2cry h GLU 72 Ca 0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2cry h GLU 72 Cb 0.14 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2cry h GLU 72 CO -0.01 0.60 0.00 0.41 0.07 0.00 0.00 179.01 180.08 2cry n GLY 73 N -0.75 -1.67 3.63 1.06 0.00 -1.04 -4.41 105.19 102.00 2cry n GLY 73 Ca 0.01 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.17 1.61 -7.23 0.57 -1.54 120.40 113.65 2cry s VAL 74 Ca 0.00 -1.31 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2cry s VAL 74 Cb 0.00 -2.13 0.08 0.00 0.56 0.00 0.00 36.38 34.89 2cry s VAL 74 CO 0.00 -0.01 0.33 -0.63 -0.31 0.00 0.00 175.10 174.47 2cry s ILE 75 N -3.99 -0.51 -0.50 -0.62 1.01 0.53 -1.44 121.20 115.67 2cry s ILE 75 Ca 0.20 0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 2cry s ILE 75 Cb -0.02 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 41.95 2cry s ILE 75 CO 0.08 0.05 0.51 -0.55 0.00 0.00 0.00 174.94 175.03 2cry s SER 76 N 2.49 6.18 -0.12 3.58 0.15 -1.21 -0.32 113.70 124.46 2cry s SER 76 Ca 0.02 -1.22 -0.16 0.00 0.70 0.00 0.00 55.95 55.29 2cry s SER 76 Cb -0.13 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 2cry s SER 76 CO -0.11 -0.79 0.39 -0.89 1.20 0.00 0.00 173.24 173.03 2cry s THR 77 N 2.08 5.22 -0.21 6.45 2.01 0.21 -2.44 115.64 128.96 2cry s THR 77 Ca 0.09 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 2cry s THR 77 Cb -0.23 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2cry s THR 77 CO 0.08 0.39 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.06 2cry s LEU 78 N 0.32 2.63 0.14 4.42 2.96 0.14 -0.97 118.68 128.33 2cry s LEU 78 Ca 0.22 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2cry s LEU 78 Cb -0.14 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2cry s LEU 78 CO 0.08 -0.04 0.37 -0.89 -1.32 0.00 0.00 176.35 174.55 2cry s THR 79 N 1.35 5.18 -0.17 3.68 2.01 -0.22 -1.33 115.64 126.14 2cry s THR 79 Ca 0.04 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2cry s THR 79 Cb -0.14 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.80 2cry s THR 79 CO -0.08 0.03 0.07 -0.63 -0.69 0.00 0.00 174.62 173.32 2cry s ILE 80 N -1.66 0.14 0.75 1.82 1.01 0.00 -1.73 121.20 121.53 2cry s ILE 80 Ca 0.41 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2cry s ILE 80 Cb -0.12 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.69 2cry s ILE 80 CO 0.25 -0.21 1.13 -0.94 0.00 0.00 0.00 174.94 175.17 2cry s SER 81 N 2.04 5.00 -1.35 3.58 1.04 -1.11 -0.27 113.70 122.63 2cry s SER 81 Ca 0.01 0.93 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 2cry s SER 81 Cb -0.16 -1.59 0.12 0.00 0.10 0.00 0.00 66.02 64.50 2cry s SER 81 CO -0.08 -1.60 0.31 -3.20 0.98 0.00 0.00 173.24 169.65 2cry n ASN 82 N -3.13 -0.71 -4.52 7.02 2.85 -1.26 -4.78 115.26 110.73 2cry n ASN 82 Ca 0.07 -0.95 -0.38 0.00 -0.11 0.00 0.00 54.58 53.22 2cry n ASN 82 Cb 0.59 -1.21 0.05 0.00 1.24 0.00 0.00 39.78 40.45 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cry n ILE 83 N -3.36 2.75 -4.28 -1.44 3.06 -1.26 -5.02 119.36 109.82 2cry n ILE 83 Ca -0.02 -0.49 -0.15 0.00 -2.50 0.00 0.00 62.75 59.59 2cry n ILE 83 Cb 0.40 -0.86 -0.10 0.00 0.54 0.00 0.00 39.64 39.62 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 -1.68 0.98 0.35 9.51 -7.23 -1.26 -4.76 120.40 116.32 2cry s VAL 84 Ca 0.71 -2.03 0.14 0.00 -1.81 0.00 0.00 61.98 59.00 2cry s VAL 84 Cb -0.42 -2.13 0.35 0.00 0.56 0.00 0.00 36.38 34.73 2cry s VAL 84 CO 0.52 -0.49 1.72 0.03 -0.31 0.00 0.00 175.10 176.56 2cry h ARG 85 N 2.62 0.43 -0.56 4.82 3.08 -2.00 0.61 114.38 123.38 2cry h ARG 85 Ca -0.37 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.68 2cry h ARG 85 Cb 1.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 2cry h ARG 85 CO 0.64 0.28 0.37 0.00 -1.07 0.00 0.00 179.97 180.19 2cry h ALA 86 N 1.73 1.71 -0.83 0.04 0.00 -1.99 -1.45 119.26 118.46 2cry h ALA 86 Ca 0.67 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.79 2cry h ALA 86 Cb 1.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2cry h ALA 86 CO -0.46 0.23 0.68 0.22 0.00 0.00 0.00 179.25 179.92 2cry h ASP 87 N 0.65 0.00 0.06 0.00 1.82 -0.13 0.37 116.42 119.19 2cry h ASP 87 Ca 0.22 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.68 2cry h ASP 87 Cb 0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2cry h ASP 87 CO -0.06 0.00 -0.90 -0.26 -1.61 0.00 0.00 179.24 176.41 2cry h PHE 88 N 0.00 0.24 0.00 0.28 0.04 -1.36 -3.34 116.94 112.80 2cry h PHE 88 Ca 0.39 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 2cry h PHE 88 Cb 1.76 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.89 2cry h PHE 88 CO 0.00 1.35 -0.16 1.96 -0.60 0.00 0.00 178.31 180.86 2cry h GLN 89 N -0.66 0.00 -6.88 1.51 4.20 -1.04 -3.31 115.11 108.94 2cry h GLN 89 Ca -0.21 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.99 2cry h GLN 89 Cb 1.43 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.26 2cry h GLN 89 CO -0.00 0.16 0.54 0.99 -0.67 0.00 0.00 178.83 179.85 2cry s THR 90 N -4.58 3.10 -0.16 -0.54 2.01 0.11 -5.01 115.64 110.57 2cry s THR 90 Ca -0.04 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.85 2cry s THR 90 Cb 0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2cry s THR 90 CO 0.67 0.20 0.35 -0.63 -0.69 0.00 0.00 174.62 174.52 2cry s ILE 91 N -1.24 5.26 0.17 1.82 1.09 -1.26 -4.39 121.20 122.65 2cry s ILE 91 Ca 0.50 0.67 0.04 0.00 -1.10 0.00 0.00 60.65 60.77 2cry s ILE 91 Cb -0.34 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 2cry s ILE 91 CO 0.44 0.35 0.22 -0.31 -0.10 0.00 0.00 174.94 175.54 2cry s TYR 92 N 0.63 3.30 -0.17 3.97 2.02 0.68 -3.97 117.35 123.80 2cry s TYR 92 Ca 0.19 0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.80 2cry s TYR 92 Cb -0.14 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2cry s TYR 92 CO 0.06 0.51 0.44 -0.80 -1.57 0.00 0.00 175.55 174.19 2cry s ASN 93 N -3.28 -0.52 -0.17 2.29 0.01 -0.94 -0.63 114.94 111.71 2cry s ASN 93 Ca 0.33 0.92 -0.03 0.00 -0.71 0.00 0.00 52.86 53.37 2cry s ASN 93 Cb -0.10 0.85 -0.02 0.00 0.41 0.00 0.00 41.25 42.39 2cry s ASN 93 CO 0.26 -0.18 -0.07 0.00 -1.51 0.00 0.00 177.10 175.60 2cry s THR 95 N 0.66 1.67 0.39 0.00 2.01 -0.25 -2.91 115.64 117.22 2cry s THR 95 Ca -0.04 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.16 2cry s THR 95 Cb -0.15 -1.41 -0.08 0.00 0.01 0.00 0.00 72.50 70.88 2cry s THR 95 CO 0.02 0.47 -0.00 0.00 -0.69 0.00 0.00 174.62 174.42 2cry s ALA 96 N -0.23 3.08 -0.19 7.40 0.00 -1.13 -0.18 121.76 130.51 2cry s ALA 96 Ca 0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 51.96 49.68 2cry s ALA 96 Cb -0.11 0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.27 2cry s ALA 96 CO 0.01 -0.10 0.28 -1.58 0.00 0.00 0.00 175.76 174.38 2cry s TRP 97 N -2.73 -0.48 0.17 0.00 0.51 0.39 -3.77 118.94 113.02 2cry s TRP 97 Ca 0.35 0.70 0.09 0.00 -2.12 0.00 0.00 56.10 55.11 2cry s TRP 97 Cb 0.09 -0.12 -0.04 0.00 -0.81 0.00 0.00 33.47 32.58 2cry s TRP 97 CO 0.18 -0.53 -0.18 1.21 -0.51 0.00 0.00 176.95 177.11 2cry s ASN 98 N 2.43 2.69 0.59 2.95 2.47 -0.28 0.21 114.94 126.00 2cry s ASN 98 Ca 0.06 -0.87 0.19 0.00 0.42 0.00 0.00 52.86 52.65 2cry s ASN 98 Cb -0.14 -0.16 1.01 0.00 -1.45 0.00 0.00 41.25 40.51 2cry s ASN 98 CO -0.12 -0.04 1.54 0.28 -3.72 0.00 0.00 177.10 175.04 2cry h SER 99 N 3.19 0.00 0.00 -4.21 0.02 -1.94 -1.22 113.55 109.39 2cry h SER 99 Ca -0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2cry h SER 99 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2cry h SER 99 CO 0.52 0.00 -0.25 -0.26 -1.14 0.00 0.00 176.83 175.70 2cry h PHE 100 N 0.00 0.00 0.00 3.45 0.04 -1.94 -3.51 116.94 114.97 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 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2cry h PHE 100 CO 0.00 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 2cry n GLY 101 N 1.69 2.67 3.78 -1.45 0.00 -0.46 -4.83 105.19 106.59 2cry n GLY 101 Ca -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.08 0.20 1.61 1.04 -1.26 -1.12 113.70 116.09 2cry s SER 102 Ca 0.00 -0.88 -0.23 0.00 0.48 0.00 0.00 55.95 55.32 2cry s SER 102 Cb 0.00 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.92 2cry s SER 102 CO 0.00 -1.43 0.92 -1.81 0.98 0.00 0.00 173.24 171.91 2cry s ASP 103 N -3.00 -0.14 0.22 7.02 1.01 -1.25 -4.72 116.67 115.82 2cry s ASP 103 Ca 0.15 -0.56 -0.20 0.00 0.71 0.00 0.00 52.55 52.65 2cry s ASP 103 Cb -0.05 0.56 0.03 0.00 1.01 0.00 0.00 42.92 44.48 2cry s ASP 103 CO 0.10 -1.06 0.63 -0.89 0.21 0.00 0.00 175.17 174.15 2cry s THR 104 N -3.07 0.01 -0.09 -1.27 2.01 -1.26 -2.82 115.64 109.15 2cry s THR 104 Ca 0.14 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 2cry s THR 104 Cb -0.03 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.92 2cry s THR 104 CO 0.04 -0.03 0.65 -0.70 -0.69 0.00 0.00 174.62 173.90 2cry s GLU 105 N -3.86 0.98 -0.11 4.92 2.56 -1.15 -4.90 118.70 117.14 2cry s GLU 105 Ca 0.08 0.37 -0.08 0.00 0.00 0.00 0.00 54.97 55.34 2cry s GLU 105 Cb -0.03 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.52 2cry s GLU 105 CO -0.01 -0.27 0.18 0.42 -0.56 0.00 0.00 175.26 175.02 2cry s ILE 106 N -0.88 5.44 -0.06 -3.70 1.01 -1.26 -2.64 121.20 119.11 2cry s ILE 106 Ca -0.09 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 2cry s ILE 106 Cb -0.01 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.03 2cry s ILE 106 CO 0.08 0.61 0.14 -0.63 0.00 0.00 0.00 174.94 175.14 2cry s ILE 107 N -0.99 -0.01 -0.07 2.92 1.09 0.20 -4.99 121.20 119.35 2cry s ILE 107 Ca 0.16 0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.81 2cry s ILE 107 Cb -0.13 -0.22 -0.00 0.00 -1.06 0.00 0.00 42.46 41.05 2cry s ILE 107 CO 0.05 0.02 -0.23 -0.13 -0.10 0.00 0.00 174.94 174.55 2cry s ARG 108 N 0.38 2.57 0.38 2.79 0.52 -1.26 -0.23 118.95 124.10 2cry s ARG 108 Ca -0.03 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2cry s ARG 108 Cb -0.04 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2cry s ARG 108 CO -0.02 0.28 0.63 -1.17 0.02 0.00 0.00 175.30 175.04 2cry s LEU 109 N 0.07 3.89 0.34 2.53 2.96 -1.25 -5.00 118.68 122.22 2cry s LEU 109 Ca -0.09 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2cry s LEU 109 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2cry s LEU 109 CO 0.05 -0.37 0.15 -0.54 -1.32 0.00 0.00 176.35 174.32 2cry s LYS 110 N -4.30 1.70 0.33 1.98 -0.14 -1.26 -4.38 119.74 113.67 2cry s LYS 110 Ca 0.43 -1.99 0.08 0.00 -1.36 0.00 0.00 55.97 53.13 2cry s LYS 110 Cb -0.10 -0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 35.74 2cry s LYS 110 CO 0.38 -0.45 0.15 -2.00 -0.76 0.00 0.00 175.35 172.66 2cry s GLU 111 N -3.77 2.42 -0.69 1.68 2.12 -1.26 -3.60 118.70 115.60 2cry s GLU 111 Ca 0.33 -1.50 -0.17 0.00 0.36 0.00 0.00 54.97 53.99 2cry s GLU 111 Cb 0.04 -2.22 0.14 0.00 0.26 0.00 0.00 34.13 32.36 2cry s GLU 111 CO 0.17 0.13 0.74 -1.14 -0.54 0.00 0.00 175.26 174.62 2cry s GLN 112 N -3.85 3.25 0.00 4.30 0.74 -1.26 -4.50 119.66 118.34 2cry s GLN 112 Ca 0.37 -1.75 0.00 0.00 0.05 0.00 0.00 55.36 54.03 2cry s GLN 112 Cb -0.03 -4.40 0.00 0.00 1.10 0.00 0.00 33.01 29.67 2cry s GLN 112 CO 0.23 -1.47 0.00 0.41 -0.55 0.00 0.00 175.29 173.91 2cry n GLY 113 N 4.96 0.77 2.93 2.59 0.00 -1.26 -5.02 105.19 110.17 2cry n GLY 113 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 2cry n GLY 113 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 114 N -1.52 1.06 -0.11 1.61 0.15 -1.26 -5.13 113.70 108.50 2cry s SER 114 Ca 0.00 -0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 2cry s SER 114 Cb 0.00 -0.46 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 2cry s SER 114 CO 0.00 -0.01 0.23 -0.70 1.20 0.00 0.00 173.24 173.96 2cry s GLU 115 N 0.69 0.15 -1.61 5.44 2.12 -1.26 -4.89 118.70 119.34 2cry s GLU 115 Ca -0.10 0.61 -0.14 0.00 0.36 0.00 0.00 54.97 55.70 2cry s GLU 115 Cb -0.13 -0.11 0.11 0.00 0.26 0.00 0.00 34.13 34.26 2cry s GLU 115 CO 0.01 -0.23 0.76 -0.12 -0.54 0.00 0.00 175.26 175.14 2cry n MET 116 N 4.83 -3.73 -2.44 4.30 0.00 -1.26 -4.86 117.12 113.97 2cry n MET 116 Ca -0.15 0.43 -0.43 0.00 0.00 0.00 0.00 57.70 57.55 2cry n MET 116 Cb 0.51 -5.08 -0.02 0.00 0.00 0.00 0.00 33.22 28.63 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 -3.52 6.51 0.27 6.12 1.04 -1.26 -5.01 113.70 117.85 2cry s SER 117 Ca 0.57 0.85 0.07 0.00 0.48 0.00 0.00 55.95 57.93 2cry s SER 117 Cb -0.31 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.24 2cry s SER 117 CO 0.90 -1.28 0.23 -0.83 0.98 0.00 0.00 173.24 173.24 2cry s GLY 118 N 3.23 1.46 0.00 7.32 0.00 -1.26 -4.99 107.32 113.07 2cry s GLY 118 Ca 0.56 -1.44 0.15 0.00 0.00 0.00 0.00 44.72 43.99 2cry s GLY 118 CO 0.29 -1.46 1.37 -1.55 0.00 0.00 0.00 173.10 171.75 2cry n PRO 119 N -1.24 0.36 -0.80 2.90 -0.04 -1.26 -4.85 135.00 130.07 2cry n PRO 119 Ca -0.07 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2cry n PRO 119 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 2cry n PRO 119 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cry n SER 120 N -1.13 -2.64 -4.77 3.54 2.88 -1.26 -4.89 113.62 105.34 2cry n SER 120 Ca 0.10 -0.08 -0.35 0.00 -1.33 0.00 0.00 58.87 57.20 2cry n SER 120 Cb 0.08 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2cry n SER 120 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cry s SER 121 N -1.48 5.69 0.00 -3.46 1.04 -1.26 -5.25 113.70 108.98 2cry s SER 121 Ca 0.47 2.16 0.00 0.00 0.48 0.00 0.00 55.95 59.06 2cry s SER 121 Cb -0.02 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2cry s SER 121 CO 0.65 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 174.24