#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 6.73 0.06 1.61 0.15 -1.26 -5.02 113.70 115.97 2cry s SER 2 Ca 0.00 2.65 -0.05 0.00 0.70 0.00 0.00 55.95 59.25 2cry s SER 2 Cb 0.00 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2cry s SER 2 CO 0.00 -0.61 0.07 -0.44 1.20 0.00 0.00 173.24 173.46 2cry s SER 3 N -0.01 0.30 0.00 5.45 0.01 -1.26 -5.08 113.70 113.11 2cry s SER 3 Ca 0.54 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2cry s SER 3 Cb -0.40 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2cry s SER 3 CO 0.47 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2cry n GLY 4 N 0.18 -2.06 2.97 3.44 0.00 -1.26 -5.14 105.19 103.32 2cry n GLY 4 Ca -0.15 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 2cry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 5 N 1.71 1.52 -0.10 1.61 0.01 -1.26 -5.13 113.70 112.06 2cry s SER 5 Ca 0.00 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.84 2cry s SER 5 Cb 0.00 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2cry s SER 5 CO 0.00 -0.01 0.49 -0.94 0.41 0.00 0.00 173.24 173.19 2cry s SER 6 N 0.82 6.72 0.38 2.44 1.04 -1.26 -5.07 113.70 118.77 2cry s SER 6 Ca -0.12 0.86 0.02 0.00 0.48 0.00 0.00 55.95 57.19 2cry s SER 6 Cb -0.15 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 2cry s SER 6 CO 0.02 0.02 0.09 0.61 0.98 0.00 0.00 173.24 174.96 2cry n GLY 7 N 3.12 3.45 3.86 7.32 0.00 -1.26 -5.15 105.19 116.53 2cry n GLY 7 Ca -0.07 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.78 5.14 -0.46 2.61 -4.23 -1.26 -5.06 115.64 109.61 2cry s THR 8 Ca 0.13 0.52 -0.21 0.00 -1.18 0.00 0.00 61.69 60.95 2cry s THR 8 Cb 0.01 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.24 2cry s THR 8 CO 0.09 0.44 0.70 -0.76 -0.54 0.00 0.00 174.62 174.55 2cry s LEU 9 N -1.50 4.47 0.73 4.79 1.02 -1.26 -5.03 118.68 121.90 2cry s LEU 9 Ca 0.27 -0.38 -0.16 0.00 0.02 0.00 0.00 54.13 53.88 2cry s LEU 9 Cb -0.15 -2.75 -0.05 0.00 0.02 0.00 0.00 46.19 43.27 2cry s LEU 9 CO 0.15 -0.87 0.43 1.07 0.02 0.00 0.00 176.35 177.14 2cry n THR 10 N 5.92 1.49 -3.86 5.49 5.66 -1.26 -5.02 114.28 122.70 2cry n THR 10 Ca -0.01 -0.40 -0.11 0.00 -3.05 0.00 0.00 64.05 60.48 2cry n THR 10 Cb 0.48 -0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 68.49 2cry n THR 10 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2cry s VAL 11 N -1.95 0.07 -0.06 1.08 -7.23 -1.26 -5.16 120.40 105.89 2cry s VAL 11 Ca 0.63 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 2cry s VAL 11 Cb -0.34 -0.39 0.04 0.00 0.56 0.00 0.00 36.38 36.25 2cry s VAL 11 CO 0.60 -0.30 0.12 0.20 -0.31 0.00 0.00 175.10 175.41 2cry s ASN 12 N -1.07 -0.07 0.00 4.85 0.01 -1.26 -4.73 114.94 112.68 2cry s ASN 12 Ca -0.12 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 2cry s ASN 12 Cb -0.06 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.73 2cry s ASN 12 CO 0.01 -0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 2cry n GLY 13 N 4.22 1.03 3.74 0.66 0.00 -0.73 -4.98 105.19 109.13 2cry n GLY 13 Ca -0.27 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 1.25 1.67 0.67 1.61 0.04 -1.26 -4.15 135.00 134.83 2cry s PRO 14 Ca 0.00 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2cry s PRO 14 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2cry s PRO 14 CO 0.00 -1.99 1.11 -1.25 0.04 0.00 0.00 177.00 174.91 2cry s PRO 15 N -4.92 2.77 -0.13 0.56 0.04 -1.26 -4.50 135.00 127.55 2cry s PRO 15 Ca 0.62 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 2cry s PRO 15 Cb -0.18 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2cry s PRO 15 CO 0.57 -1.27 0.03 0.42 0.04 0.00 0.00 177.00 176.78 2cry s ILE 16 N -2.38 0.32 -0.45 0.56 1.01 -1.26 -4.74 121.20 114.26 2cry s ILE 16 Ca 0.67 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 61.08 2cry s ILE 16 Cb -0.20 -0.68 0.10 0.00 0.01 0.00 0.00 42.46 41.68 2cry s ILE 16 CO 0.42 0.01 0.33 -0.63 0.00 0.00 0.00 174.94 175.07 2cry s ILE 17 N 1.97 4.42 -0.03 2.92 1.01 -1.26 -0.37 121.20 129.87 2cry s ILE 17 Ca 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 60.65 59.13 2cry s ILE 17 Cb -0.14 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2cry s ILE 17 CO -0.07 -0.64 0.33 -1.28 0.00 0.00 0.00 174.94 173.28 2cry h SER 18 N 8.50 -0.14 -1.54 3.58 0.87 -1.96 -3.45 113.55 119.42 2cry h SER 18 Ca -0.23 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2cry h SER 18 Cb 1.08 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2cry h SER 18 CO 0.83 0.07 0.37 -1.20 -0.53 0.00 0.00 176.83 176.37 2cry n SER 19 N -3.35 -0.87 -4.68 6.23 7.64 -1.26 -5.02 113.62 112.31 2cry n SER 19 Ca -0.02 -1.40 -0.18 0.00 1.01 0.00 0.00 58.87 58.28 2cry n SER 19 Cb 0.06 1.41 0.07 0.00 -1.01 0.00 0.00 64.21 64.73 2cry n SER 19 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2cry n THR 20 N -0.42 0.00 -0.04 0.44 -2.24 -1.26 0.03 114.28 110.79 2cry n THR 20 Ca -0.00 -1.76 -0.07 0.00 -2.27 0.00 0.00 64.05 59.95 2cry n THR 20 Cb 0.32 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 2cry n THR 20 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2cry n GLN 21 N -2.20 0.19 -2.78 -0.78 7.27 1.00 -4.81 117.38 115.26 2cry n GLN 21 Ca 0.15 0.06 -0.43 0.00 0.07 0.00 0.00 57.00 56.85 2cry n GLN 21 Cb 0.55 -1.01 -0.04 0.00 2.41 0.00 0.00 30.24 32.16 2cry n GLN 21 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2cry s THR 22 N -2.15 4.53 -0.29 1.69 2.01 -1.26 -4.90 115.64 115.26 2cry s THR 22 Ca -0.11 1.16 0.13 0.00 0.31 0.00 0.00 61.69 63.19 2cry s THR 22 Cb 0.03 -4.38 0.47 0.00 0.01 0.00 0.00 72.50 68.64 2cry s THR 22 CO 0.16 -0.62 1.14 0.00 -0.69 0.00 0.00 174.62 174.62 2cry n GLN 23 N 6.93 2.78 -3.66 4.92 1.13 -1.26 -4.64 117.38 123.58 2cry n GLN 23 Ca 0.08 -3.91 -0.09 0.00 -1.94 0.00 0.00 57.00 51.14 2cry n GLN 23 Cb 0.48 -1.98 -0.10 0.00 0.11 0.00 0.00 30.24 28.75 2cry n GLN 23 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2cry s HIS 24 N -3.64 -0.73 -0.00 1.08 3.76 -1.26 -4.64 115.29 109.85 2cry s HIS 24 Ca 0.41 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.77 2cry s HIS 24 Cb 0.38 0.27 -0.00 0.00 1.11 0.00 0.00 32.58 34.33 2cry s HIS 24 CO -0.01 -0.45 -0.05 0.00 -0.85 0.00 0.00 174.74 173.38 2cry s ALA 25 N 2.42 0.42 0.24 -1.40 0.00 -1.21 -4.80 121.76 117.42 2cry s ALA 25 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2cry s ALA 25 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2cry s ALA 25 CO -0.12 0.10 0.04 -0.51 0.00 0.00 0.00 175.76 175.26 2cry s LEU 26 N -0.09 1.97 0.59 0.00 1.02 -1.26 -3.86 118.68 117.05 2cry s LEU 26 Ca 0.02 -1.28 -0.20 0.00 0.02 0.00 0.00 54.13 52.69 2cry s LEU 26 Cb -0.02 -0.12 -0.03 0.00 0.02 0.00 0.00 46.19 46.03 2cry s LEU 26 CO -0.00 -0.61 1.26 -2.28 0.02 0.00 0.00 176.35 174.74 2cry s HIS 27 N -3.58 2.32 0.00 0.29 5.65 -1.26 -3.24 115.29 115.46 2cry s HIS 27 Ca 0.31 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.10 2cry s HIS 27 Cb 0.07 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 2cry s HIS 27 CO 0.10 -2.50 0.00 0.41 -0.65 0.00 0.00 174.74 172.10 2cry n GLY 28 N 0.66 1.70 3.56 1.59 0.00 -1.26 -4.94 105.19 106.49 2cry n GLY 28 Ca 0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.47 -0.25 1.61 2.02 -1.20 -4.60 118.70 114.81 2cry s GLU 29 Ca 0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.87 2cry s GLU 29 Cb 0.00 -1.57 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 2cry s GLU 29 CO 0.00 -3.88 0.07 0.15 0.02 0.00 0.00 175.26 171.62 2cry s LYS 30 N -5.37 3.62 -1.08 1.61 1.02 -1.26 -4.24 119.74 114.04 2cry s LYS 30 Ca 0.71 -0.50 -0.23 0.00 0.02 0.00 0.00 55.97 55.97 2cry s LYS 30 Cb -0.10 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 2cry s LYS 30 CO 0.56 -0.20 1.82 0.20 -0.92 0.00 0.00 175.35 176.81 2cry s GLY 31 N 1.61 0.62 0.26 -3.33 0.00 -1.16 -4.77 107.32 100.55 2cry s GLY 31 Ca 0.06 -2.09 -0.26 0.00 0.00 0.00 0.00 44.72 42.44 2cry s GLY 31 CO 0.04 3.24 0.88 1.62 0.00 0.00 0.00 173.10 178.87 2cry s GLN 32 N 6.00 4.58 -0.32 2.90 0.74 -1.26 -3.37 119.66 128.93 2cry s GLN 32 Ca 0.62 1.25 0.00 0.00 0.05 0.00 0.00 55.36 57.29 2cry s GLN 32 Cb -0.02 -2.99 0.10 0.00 1.10 0.00 0.00 33.01 31.21 2cry s GLN 32 CO 0.03 0.40 0.09 0.42 -0.55 0.00 0.00 175.29 175.68 2cry s ILE 33 N -1.43 1.16 -0.36 -2.34 1.01 -0.69 -4.67 121.20 113.88 2cry s ILE 33 Ca 0.45 -1.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.26 2cry s ILE 33 Cb -0.21 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.40 2cry s ILE 33 CO 0.25 -0.67 0.74 -0.75 0.00 0.00 0.00 174.94 174.51 2cry s LYS 34 N 1.44 3.75 -0.15 2.79 2.20 -1.26 -2.15 119.74 126.36 2cry s LYS 34 Ca 0.10 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.81 2cry s LYS 34 Cb -0.18 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2cry s LYS 34 CO -0.21 -0.80 0.40 0.00 -0.36 0.00 0.00 175.35 174.38 2cry s PHE 36 N 0.75 2.89 -0.33 0.00 0.40 0.10 -2.75 117.98 119.05 2cry s PHE 36 Ca 0.21 -0.94 -0.13 0.00 -0.60 0.00 0.00 56.93 55.47 2cry s PHE 36 Cb -0.14 -4.26 -0.02 0.00 0.51 0.00 0.00 43.02 39.10 2cry s PHE 36 CO 0.08 -1.55 0.27 0.42 0.70 0.00 0.00 175.22 175.13 2cry s ILE 37 N 3.36 5.26 -0.62 0.64 1.01 -0.94 -3.09 121.20 126.82 2cry s ILE 37 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 2cry s ILE 37 Cb -0.13 -3.71 0.35 0.00 0.01 0.00 0.00 42.46 38.98 2cry s ILE 37 CO 0.01 0.02 2.10 0.54 0.00 0.00 0.00 174.94 177.62 2cry n ARG 38 N 5.17 2.50 -2.78 2.79 1.74 0.51 -1.93 116.66 124.66 2cry n ARG 38 Ca -0.12 -2.92 -0.40 0.00 -0.77 0.00 0.00 57.85 53.64 2cry n ARG 38 Cb 0.50 -2.14 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 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 -1.08 7.56 -0.28 0.55 0.15 -1.26 -4.28 113.70 115.07 2cry s SER 39 Ca 0.55 1.86 0.00 0.00 0.70 0.00 0.00 55.95 59.06 2cry s SER 39 Cb 0.43 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 62.32 2cry s SER 39 CO -0.11 0.10 0.45 -0.89 1.20 0.00 0.00 173.24 173.99 2cry s THR 40 N -0.84 -0.72 1.01 6.45 2.01 -1.26 -3.53 115.64 118.75 2cry s THR 40 Ca 0.42 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2cry s THR 40 Cb -0.25 -0.93 0.19 0.00 0.01 0.00 0.00 72.50 71.52 2cry s THR 40 CO 0.30 -0.15 1.09 -2.16 -0.69 0.00 0.00 174.62 173.01 2cry s PRO 41 N 2.63 0.37 0.87 4.92 0.04 -1.26 -1.77 135.00 140.79 2cry s PRO 41 Ca 0.12 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2cry s PRO 41 Cb -0.14 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.78 2cry s PRO 41 CO -0.23 -2.77 1.09 -1.25 0.04 0.00 0.00 177.00 173.88 2cry s PRO 42 N -4.96 1.50 0.66 0.56 0.04 -1.23 -4.69 135.00 126.88 2cry s PRO 42 Ca 0.65 0.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 2cry s PRO 42 Cb -0.19 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2cry s PRO 42 CO 0.58 -2.09 1.11 -1.25 0.04 0.00 0.00 177.00 175.38 2cry s PRO 43 N -4.93 2.79 -0.10 0.56 0.04 -1.26 -4.89 135.00 127.21 2cry s PRO 43 Ca 0.63 1.39 0.15 0.00 0.04 0.00 0.00 61.00 63.20 2cry s PRO 43 Cb -0.18 -1.95 -0.24 0.00 0.04 0.00 0.00 34.50 32.18 2cry s PRO 43 CO 0.57 -1.25 0.45 -0.25 0.04 0.00 0.00 177.00 176.55 2cry n ASP 44 N -2.43 0.55 -4.06 6.66 8.00 0.17 -4.95 116.55 120.49 2cry n ASP 44 Ca 0.10 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.72 2cry n ASP 44 Cb 0.52 0.34 -0.12 0.00 -0.02 0.00 0.00 41.12 41.84 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cry s ARG 45 N -2.57 0.55 -0.11 -1.24 3.52 -0.85 -5.00 118.95 113.25 2cry s ARG 45 Ca -0.07 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 2cry s ARG 45 Cb 0.07 -0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2cry s ARG 45 CO 0.83 0.08 0.32 0.42 -0.81 0.00 0.00 175.30 176.13 2cry s ILE 46 N -1.15 0.00 -0.03 4.11 1.01 -1.26 0.78 121.20 124.66 2cry s ILE 46 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2cry s ILE 46 Cb -0.09 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.93 2cry s ILE 46 CO 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 174.94 174.83 2cry s ALA 47 N 0.05 0.92 -0.63 9.38 0.00 0.57 -4.50 121.76 127.55 2cry s ALA 47 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 2cry s ALA 47 Cb -0.02 -0.35 0.16 0.00 0.00 0.00 0.00 23.12 22.91 2cry s ALA 47 CO 0.01 0.14 0.51 -1.58 0.00 0.00 0.00 175.76 174.84 2cry s TRP 48 N 0.24 3.51 -0.06 0.00 0.52 -0.26 -1.99 118.94 120.90 2cry s TRP 48 Ca -0.04 -2.09 0.04 0.00 0.02 0.00 0.00 56.10 54.03 2cry s TRP 48 Cb -0.09 -3.54 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 2cry s TRP 48 CO 0.01 -0.95 -0.19 -1.54 0.02 0.00 0.00 176.95 174.29 2cry s SER 49 N 2.06 3.58 -0.01 2.95 1.04 -0.95 -1.24 113.70 121.13 2cry s SER 49 Ca 0.12 -0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2cry s SER 49 Cb -0.20 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 2cry s SER 49 CO -0.04 0.27 -0.04 -2.67 0.98 0.00 0.00 173.24 171.75 2cry n TRP 50 N 2.78 0.00 0.00 5.02 2.14 -1.23 -1.56 117.44 124.59 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 -0.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.97 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 -2.75 0.00 0.00 -2.67 4.76 -1.26 -4.67 118.16 111.57 2cry n LYS 51 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2cry n LYS 51 Cb 0.05 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 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 -2.18 1.59 -1.71 1.97 1.02 -1.26 -5.07 120.64 115.01 2cry n GLU 52 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2cry n GLU 52 Cb 0.00 -0.90 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2cry s ASN 53 N -1.75 5.51 -0.26 1.62 0.01 -1.26 -5.07 114.94 113.73 2cry s ASN 53 Ca 0.00 1.43 -0.01 0.00 -0.71 0.00 0.00 52.86 53.57 2cry s ASN 53 Cb 0.00 -2.33 0.15 0.00 0.41 0.00 0.00 41.25 39.48 2cry s ASN 53 CO 0.00 -1.33 0.40 -0.69 -1.51 0.00 0.00 177.10 173.97 2cry s VAL 54 N -3.15 -0.64 -0.44 1.60 1.01 -1.26 -3.51 120.40 114.01 2cry s VAL 54 Ca 0.58 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2cry s VAL 54 Cb -0.13 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.45 2cry s VAL 54 CO 0.54 -0.16 0.30 -0.22 0.00 0.00 0.00 175.10 175.56 2cry s LEU 55 N 2.57 5.32 0.07 3.92 2.96 -0.38 -4.87 118.68 128.27 2cry s LEU 55 Ca 0.12 -1.47 -0.15 0.00 -0.22 0.00 0.00 54.13 52.41 2cry s LEU 55 Cb -0.14 -2.05 -0.19 0.00 0.50 0.00 0.00 46.19 44.31 2cry s LEU 55 CO -0.21 -0.58 1.23 -0.33 -1.32 0.00 0.00 176.35 175.15 2cry h GLU 56 N 8.51 0.69 -1.42 1.98 5.08 -1.86 -0.67 114.58 126.89 2cry h GLU 56 Ca -0.24 -0.63 0.17 0.00 -1.00 0.00 0.00 59.36 57.66 2cry h GLU 56 Cb 1.09 0.15 -0.23 0.00 0.50 0.00 0.00 28.75 30.26 2cry h GLU 56 CO 0.80 1.23 0.73 -1.12 -1.00 0.00 0.00 179.01 179.65 2cry s SER 57 N -7.06 -0.21 0.00 1.42 0.01 -1.26 -4.67 113.70 101.93 2cry s SER 57 Ca -0.11 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2cry s SER 57 Cb 0.07 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2cry s SER 57 CO 0.89 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.92 2cry n GLY 58 N 0.43 -1.13 3.03 3.44 0.00 -1.24 -4.91 105.19 104.82 2cry n GLY 58 Ca -0.05 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 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 1.26 -0.28 2.61 2.01 -1.26 -1.65 115.64 118.32 2cry s THR 59 Ca 0.00 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 2cry s THR 59 Cb 0.00 -1.15 0.13 0.00 0.01 0.00 0.00 72.50 71.49 2cry s THR 59 CO 0.00 0.39 1.10 -0.55 -0.69 0.00 0.00 174.62 174.86 2cry s SER 60 N 0.79 -0.39 -1.18 3.53 0.15 -0.48 -4.95 113.70 111.17 2cry s SER 60 Ca -0.12 0.74 -0.07 0.00 0.70 0.00 0.00 55.95 57.20 2cry s SER 60 Cb -0.16 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2cry s SER 60 CO 0.02 -0.13 1.02 0.61 1.20 0.00 0.00 173.24 175.96 2cry n GLY 61 N 2.07 -0.36 2.45 9.45 0.00 -1.26 -1.84 105.19 115.70 2cry n GLY 61 Ca -0.12 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.37 -1.42 -4.36 1.61 1.74 -1.26 -4.97 116.66 103.62 2cry n ARG 62 Ca -0.03 1.03 -0.23 0.00 -0.77 0.00 0.00 57.85 57.85 2cry n ARG 62 Cb 0.57 -5.47 -0.11 0.00 -1.02 0.00 0.00 32.46 26.42 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 -2.83 1.98 -0.24 -1.55 2.02 -0.77 -1.25 117.35 114.70 2cry s TYR 63 Ca 0.00 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2cry s TYR 63 Cb 0.00 -0.98 0.11 0.00 -0.40 0.00 0.00 41.96 40.70 2cry s TYR 63 CO 0.00 0.40 0.27 0.99 -1.57 0.00 0.00 175.55 175.64 2cry s THR 64 N -1.96 -0.40 -0.01 -0.71 2.01 0.21 -1.39 115.64 113.40 2cry s THR 64 Ca 0.18 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 2cry s THR 64 Cb -0.06 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 2cry s THR 64 CO 0.08 -0.28 0.49 -0.69 -0.69 0.00 0.00 174.62 173.54 2cry s VAL 65 N 2.38 4.97 -0.19 3.82 1.01 -0.66 -0.55 120.40 131.17 2cry s VAL 65 Ca 0.09 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 2cry s VAL 65 Cb -0.15 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.49 2cry s VAL 65 CO -0.20 0.49 0.44 -1.61 0.00 0.00 0.00 175.10 174.22 2cry s GLU 66 N -0.57 0.38 0.07 2.72 2.02 0.14 -3.64 118.70 119.82 2cry s GLU 66 Ca 0.27 0.95 0.03 0.00 0.02 0.00 0.00 54.97 56.23 2cry s GLU 66 Cb -0.17 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 2cry s GLU 66 CO 0.15 -0.20 0.08 0.99 0.02 0.00 0.00 175.26 176.30 2cry s THR 67 N 2.02 4.58 0.15 3.63 2.01 -1.26 -0.21 115.64 126.55 2cry s THR 67 Ca -0.06 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2cry s THR 67 Cb -0.10 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2cry s THR 67 CO -0.13 0.16 0.09 -0.63 -0.69 0.00 0.00 174.62 173.41 2cry s ILE 68 N -1.36 0.08 -0.22 1.82 1.01 0.27 -4.98 121.20 117.81 2cry s ILE 68 Ca 0.29 -1.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.05 2cry s ILE 68 Cb -0.12 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.26 2cry s ILE 68 CO 0.21 -0.37 -0.11 -0.44 0.00 0.00 0.00 174.94 174.23 2cry s SER 69 N -3.06 3.93 0.31 3.58 0.01 -1.26 -0.95 113.70 116.26 2cry s SER 69 Ca 0.26 -0.81 0.09 0.00 1.31 0.00 0.00 55.95 56.80 2cry s SER 69 Cb 0.07 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 2cry s SER 69 CO 0.04 -0.08 0.04 0.42 0.41 0.00 0.00 173.24 174.07 2cry s THR 70 N 1.30 3.01 0.24 1.44 -4.23 0.02 -4.92 115.64 112.50 2cry s THR 70 Ca 0.01 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2cry s THR 70 Cb -0.16 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.08 2cry s THR 70 CO -0.07 -0.26 1.65 1.05 -0.54 0.00 0.00 174.62 176.45 2cry h GLU 71 N 1.76 0.12 0.00 3.99 -0.00 -1.99 0.90 114.58 119.35 2cry h GLU 71 Ca -0.43 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 58.91 2cry h GLU 71 Cb 1.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2cry h GLU 71 CO 0.63 0.08 -0.04 1.05 -0.00 0.00 0.00 179.01 180.73 2cry h GLU 72 N 0.12 0.00 0.00 1.06 4.11 -1.95 -3.47 114.58 114.44 2cry h GLU 72 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 2cry h GLU 72 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2cry h GLU 72 CO -0.61 0.04 0.00 0.41 0.07 0.00 0.00 179.01 178.92 2cry n GLY 73 N -0.84 -0.49 3.42 1.06 0.00 0.31 -4.58 105.19 104.07 2cry n GLY 73 Ca -0.02 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.81 -0.80 120.40 113.00 2cry s VAL 74 Ca 0.00 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 2cry s VAL 74 Cb 0.00 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.67 2cry s VAL 74 CO 0.00 0.00 0.40 -0.63 -0.31 0.00 0.00 175.10 174.56 2cry s ILE 75 N -4.08 -0.16 -0.42 -0.62 1.01 -0.13 -2.22 121.20 114.59 2cry s ILE 75 Ca 0.30 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2cry s ILE 75 Cb 0.03 -0.60 0.07 0.00 0.01 0.00 0.00 42.46 41.96 2cry s ILE 75 CO 0.10 0.05 0.28 -0.55 0.00 0.00 0.00 174.94 174.82 2cry s SER 76 N 1.66 5.77 -0.10 3.58 0.15 -1.11 -0.56 113.70 123.09 2cry s SER 76 Ca -0.08 -1.35 -0.09 0.00 0.70 0.00 0.00 55.95 55.13 2cry s SER 76 Cb -0.09 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2cry s SER 76 CO -0.12 -0.53 0.20 -0.89 1.20 0.00 0.00 173.24 173.10 2cry s THR 77 N 1.50 5.39 -0.19 6.45 2.01 0.71 -1.82 115.64 129.69 2cry s THR 77 Ca 0.03 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 2cry s THR 77 Cb -0.22 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 68.86 2cry s THR 77 CO 0.04 0.59 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.32 2cry s LEU 78 N -0.91 1.64 0.25 4.42 2.96 -0.91 -0.68 118.68 125.45 2cry s LEU 78 Ca 0.17 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 53.17 2cry s LEU 78 Cb -0.13 -0.84 -0.07 0.00 0.50 0.00 0.00 46.19 45.65 2cry s LEU 78 CO 0.06 -0.24 0.56 -0.89 -1.32 0.00 0.00 176.35 174.52 2cry s THR 79 N 1.67 4.93 -0.22 3.68 2.01 0.29 -1.70 115.64 126.30 2cry s THR 79 Ca -0.01 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 2cry s THR 79 Cb -0.17 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.77 2cry s THR 79 CO -0.07 -0.12 0.04 -0.63 -0.69 0.00 0.00 174.62 173.14 2cry s ILE 80 N -1.88 0.68 0.38 1.82 1.01 -1.22 -0.62 121.20 121.38 2cry s ILE 80 Ca 0.47 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 2cry s ILE 80 Cb -0.11 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 2cry s ILE 80 CO 0.23 -0.28 1.22 -0.55 0.00 0.00 0.00 174.94 175.55 2cry s SER 81 N 1.77 6.59 -1.10 3.58 0.15 -0.38 -2.97 113.70 121.33 2cry s SER 81 Ca 0.00 2.47 -0.09 0.00 0.70 0.00 0.00 55.95 59.03 2cry s SER 81 Cb -0.17 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2cry s SER 81 CO -0.11 -0.64 0.17 0.59 1.20 0.00 0.00 173.24 174.45 2cry n ASN 82 N 0.33 -0.53 -4.54 5.45 5.03 -1.26 -4.79 115.26 114.95 2cry n ASN 82 Ca 0.03 -0.99 -0.37 0.00 0.87 0.00 0.00 54.58 54.12 2cry n ASN 82 Cb 0.45 -1.22 0.06 0.00 -1.02 0.00 0.00 39.78 38.06 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2cry n ILE 83 N -3.88 2.69 -4.33 2.41 3.06 -1.22 -4.97 119.36 113.13 2cry n ILE 83 Ca -0.20 -0.44 -0.24 0.00 -2.50 0.00 0.00 62.75 59.37 2cry n ILE 83 Cb 0.50 -0.93 -0.13 0.00 0.54 0.00 0.00 39.64 39.63 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 -1.74 1.75 0.35 9.51 -7.23 -1.26 -4.71 120.40 117.07 2cry s VAL 84 Ca 0.71 -1.53 0.23 0.00 -1.81 0.00 0.00 61.98 59.59 2cry s VAL 84 Cb -0.38 -1.58 0.37 0.00 0.56 0.00 0.00 36.38 35.35 2cry s VAL 84 CO 0.52 -0.02 1.34 0.54 -0.31 0.00 0.00 175.10 177.17 2cry n ARG 85 N 1.14 -0.04 -0.23 4.82 1.74 -1.26 0.93 116.66 123.77 2cry n ARG 85 Ca -0.19 1.12 0.02 0.00 -0.77 0.00 0.00 57.85 58.03 2cry n ARG 85 Cb 0.53 -2.12 0.12 0.00 -1.02 0.00 0.00 32.46 29.97 2cry n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cry h ALA 86 N 1.52 0.64 -1.00 7.54 0.00 -2.00 0.12 119.26 126.08 2cry h ALA 86 Ca 0.74 0.23 0.37 0.00 0.00 0.00 0.00 54.91 56.25 2cry h ALA 86 Cb 2.20 0.41 -0.17 0.00 0.00 0.00 0.00 17.79 20.23 2cry h ALA 86 CO -0.51 -0.41 0.52 -0.44 0.00 0.00 0.00 179.25 178.40 2cry h ASP 87 N 0.08 0.35 -0.30 0.00 5.19 0.21 0.75 116.42 122.70 2cry h ASP 87 Ca 0.36 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.96 2cry h ASP 87 Cb 0.60 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 2cry h ASP 87 CO -0.62 -0.31 0.01 -0.26 -3.12 0.00 0.00 179.24 174.94 2cry h PHE 88 N 0.13 0.56 -0.02 4.55 0.04 -0.90 -2.91 116.94 118.39 2cry h PHE 88 Ca 0.79 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 61.38 2cry h PHE 88 Cb 1.95 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.94 2cry h PHE 88 CO -0.04 0.64 -0.40 1.96 -0.60 0.00 0.00 178.31 179.87 2cry h GLN 89 N 0.31 0.03 -6.84 1.51 4.20 0.38 -3.40 115.11 111.31 2cry h GLN 89 Ca 0.09 -0.01 -0.50 0.00 0.06 0.00 0.00 58.65 58.28 2cry h GLN 89 Cb 0.41 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.20 2cry h GLN 89 CO 0.01 0.43 0.46 0.99 -0.67 0.00 0.00 178.83 180.05 2cry s THR 90 N -4.13 3.53 -0.10 -0.54 2.01 0.92 -5.02 115.64 112.31 2cry s THR 90 Ca -0.03 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.25 2cry s THR 90 Cb 0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2cry s THR 90 CO 0.74 0.29 0.49 -0.63 -0.69 0.00 0.00 174.62 174.81 2cry s ILE 91 N -1.26 5.15 0.01 1.82 1.09 -1.26 -4.65 121.20 122.09 2cry s ILE 91 Ca 0.47 0.98 -0.02 0.00 -1.10 0.00 0.00 60.65 60.99 2cry s ILE 91 Cb -0.30 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 2cry s ILE 91 CO 0.38 0.35 0.17 -0.31 -0.10 0.00 0.00 174.94 175.43 2cry s TYR 92 N 0.45 3.50 -0.14 3.97 2.02 -0.72 -4.04 117.35 122.37 2cry s TYR 92 Ca 0.27 0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 57.23 2cry s TYR 92 Cb -0.16 -1.80 0.07 0.00 -0.40 0.00 0.00 41.96 39.68 2cry s TYR 92 CO 0.11 0.62 0.22 -0.80 -1.57 0.00 0.00 175.55 174.13 2cry s ASN 93 N -2.04 0.84 -0.51 2.29 0.01 -0.60 -0.79 114.94 114.14 2cry s ASN 93 Ca 0.28 0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 52.50 2cry s ASN 93 Cb -0.13 0.46 0.11 0.00 0.41 0.00 0.00 41.25 42.11 2cry s ASN 93 CO 0.20 -0.27 0.45 0.00 -1.51 0.00 0.00 177.10 175.96 2cry s THR 95 N 1.58 4.98 0.50 0.00 2.01 -0.84 -2.37 115.64 121.50 2cry s THR 95 Ca 0.04 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2cry s THR 95 Cb -0.28 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2cry s THR 95 CO 0.03 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.55 2cry s ALA 96 N -0.26 4.06 -0.16 7.40 0.00 -0.98 -0.32 121.76 131.51 2cry s ALA 96 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 2cry s ALA 96 Cb -0.12 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2cry s ALA 96 CO 0.01 -0.08 0.34 -1.58 0.00 0.00 0.00 175.76 174.46 2cry s TRP 97 N -2.84 -0.59 0.02 0.00 0.51 0.23 -3.73 118.94 112.54 2cry s TRP 97 Ca 0.12 1.22 0.04 0.00 -2.12 0.00 0.00 56.10 55.37 2cry s TRP 97 Cb 0.02 0.15 -0.02 0.00 -0.81 0.00 0.00 33.47 32.81 2cry s TRP 97 CO 0.07 -0.40 -0.12 1.21 -0.51 0.00 0.00 176.95 177.20 2cry s ASN 98 N 2.27 1.41 0.64 2.95 2.47 -0.42 0.44 114.94 124.70 2cry s ASN 98 Ca -0.02 -0.35 0.17 0.00 0.42 0.00 0.00 52.86 53.07 2cry s ASN 98 Cb -0.11 -0.11 0.90 0.00 -1.45 0.00 0.00 41.25 40.48 2cry s ASN 98 CO -0.11 0.05 1.50 0.77 -3.72 0.00 0.00 177.10 175.59 2cry h SER 99 N 5.29 0.00 0.49 -4.21 4.64 -1.96 1.03 113.55 118.83 2cry h SER 99 Ca -0.35 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.67 2cry h SER 99 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2cry h SER 99 CO 0.46 0.00 -1.53 -0.26 -0.87 0.00 0.00 176.83 174.63 2cry h PHE 100 N 0.00 0.36 0.00 4.77 -1.00 -1.95 -3.50 116.94 115.62 2cry h PHE 100 Ca 0.00 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.52 2cry h PHE 100 Cb 1.21 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2cry h PHE 100 CO 0.00 1.32 0.00 0.41 -1.61 0.00 0.00 178.31 178.43 2cry n GLY 101 N 1.64 -0.54 3.75 -1.45 0.00 0.36 -4.64 105.19 104.31 2cry n GLY 101 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2cry n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 102 N -4.00 -0.06 0.23 1.61 0.01 -1.26 -1.30 113.70 108.93 2cry s SER 102 Ca 0.00 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 56.78 2cry s SER 102 Cb 0.00 0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.57 2cry s SER 102 CO 0.00 -0.51 0.98 1.51 0.41 0.00 0.00 173.24 175.63 2cry s ASP 103 N -3.19 0.01 -0.29 2.44 1.47 -1.24 -4.76 116.67 111.11 2cry s ASP 103 Ca 0.18 -0.80 -0.16 0.00 1.18 0.00 0.00 52.55 52.95 2cry s ASP 103 Cb 0.02 0.58 0.13 0.00 -0.34 0.00 0.00 42.92 43.31 2cry s ASP 103 CO -0.01 -1.16 0.89 -0.89 0.68 0.00 0.00 175.17 174.68 2cry s THR 104 N -2.16 -0.12 -0.05 2.11 2.01 -1.26 -2.32 115.64 113.86 2cry s THR 104 Ca 0.21 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2cry s THR 104 Cb -0.03 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2cry s THR 104 CO 0.07 0.00 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.07 2cry s GLU 105 N 1.64 2.24 0.31 4.92 2.56 -1.00 -4.95 118.70 124.42 2cry s GLU 105 Ca -0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 54.97 53.99 2cry s GLU 105 Cb -0.05 -1.96 -0.06 0.00 2.00 0.00 0.00 34.13 34.07 2cry s GLU 105 CO -0.17 0.38 0.61 0.42 -0.56 0.00 0.00 175.26 175.94 2cry s ILE 106 N -0.20 4.95 -0.13 -3.70 1.09 -1.26 -1.12 121.20 120.83 2cry s ILE 106 Ca -0.01 0.25 -0.05 0.00 -1.10 0.00 0.00 60.65 59.74 2cry s ILE 106 Cb -0.12 -3.72 0.06 0.00 -1.06 0.00 0.00 42.46 37.62 2cry s ILE 106 CO 0.02 -0.34 0.27 -0.63 -0.10 0.00 0.00 174.94 174.16 2cry s ILE 107 N -2.12 -0.29 -0.53 2.92 1.09 0.03 -4.96 121.20 117.34 2cry s ILE 107 Ca 0.46 0.23 -0.06 0.00 -1.10 0.00 0.00 60.65 60.18 2cry s ILE 107 Cb -0.11 -0.44 0.14 0.00 -1.06 0.00 0.00 42.46 41.00 2cry s ILE 107 CO 0.29 0.09 0.37 -0.13 -0.10 0.00 0.00 174.94 175.46 2cry s ARG 108 N 2.01 2.44 0.33 2.79 1.81 -1.26 -1.76 118.95 125.32 2cry s ARG 108 Ca -0.03 -2.09 -0.29 0.00 -1.72 0.00 0.00 55.73 51.61 2cry s ARG 108 Cb -0.11 -3.80 -0.10 0.00 -0.45 0.00 0.00 34.95 30.49 2cry s ARG 108 CO -0.09 -1.16 1.29 -1.17 -0.68 0.00 0.00 175.30 173.50 2cry s LEU 109 N 0.73 4.43 0.28 2.53 2.96 -1.26 -5.03 118.68 123.32 2cry s LEU 109 Ca 0.11 2.66 0.02 0.00 -0.22 0.00 0.00 54.13 56.71 2cry s LEU 109 Cb -0.22 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 2cry s LEU 109 CO -0.03 -0.52 0.13 -0.54 -1.32 0.00 0.00 176.35 174.07 2cry s LYS 110 N -1.79 1.51 0.47 1.98 1.02 -1.26 -4.16 119.74 117.51 2cry s LYS 110 Ca 0.49 -1.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.42 2cry s LYS 110 Cb -0.39 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 36.69 2cry s LYS 110 CO 0.52 -0.39 1.05 -2.00 -0.92 0.00 0.00 175.35 173.60 2cry s GLU 111 N -3.91 3.85 0.09 1.68 2.56 -1.26 -3.28 118.70 118.42 2cry s GLU 111 Ca 0.36 1.40 -0.32 0.00 0.00 0.00 0.00 54.97 56.42 2cry s GLU 111 Cb 0.06 -2.17 -0.14 0.00 2.00 0.00 0.00 34.13 33.87 2cry s GLU 111 CO 0.16 -0.40 1.50 0.37 -0.56 0.00 0.00 175.26 176.33 2cry h GLN 112 N 1.72 -0.75 0.00 4.30 4.15 -1.88 -3.46 115.11 119.19 2cry h GLN 112 Ca -0.49 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2cry h GLN 112 Cb 1.22 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2cry h GLN 112 CO 0.60 -0.50 0.00 0.41 -1.93 0.00 0.00 178.83 177.40 2cry n GLY 113 N -1.47 3.25 3.27 2.39 0.00 -1.26 -5.06 105.19 106.31 2cry n GLY 113 Ca -0.09 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 1.00 4.33 0.07 1.61 0.01 -1.26 -5.01 113.70 114.44 2cry s SER 114 Ca 0.00 -0.58 -0.33 0.00 1.31 0.00 0.00 55.95 56.35 2cry s SER 114 Cb 0.00 -1.72 -0.19 0.00 0.21 0.00 0.00 66.02 64.32 2cry s SER 114 CO 0.00 -0.07 1.62 -0.08 0.41 0.00 0.00 173.24 175.12 2cry h GLU 115 N 8.09 -0.88 -6.12 12.44 4.57 -1.99 -3.43 114.58 127.25 2cry h GLU 115 Ca -0.38 0.06 -0.65 0.00 -1.18 0.00 0.00 59.36 57.21 2cry h GLU 115 Cb 1.14 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.82 2cry h GLU 115 CO 0.60 -0.58 -0.61 1.41 -1.18 0.00 0.00 179.01 178.64 2cry s MET 116 N -6.03 2.88 0.14 1.92 1.75 -1.26 -5.03 119.30 113.68 2cry s MET 116 Ca -0.18 -0.61 -0.18 0.00 -1.25 0.00 0.00 55.69 53.47 2cry s MET 116 Cb 0.03 -2.74 0.02 0.00 2.84 0.00 0.00 34.83 34.98 2cry s MET 116 CO 0.62 0.61 1.72 1.03 -0.65 0.00 0.00 175.02 178.34 2cry h SER 117 N 3.93 -0.10 -3.49 1.11 0.87 -2.00 -3.43 113.55 110.44 2cry h SER 117 Ca -0.48 0.06 -0.65 0.00 -1.23 0.00 0.00 61.79 59.48 2cry h SER 117 Cb 1.17 0.10 -0.20 0.00 -0.44 0.00 0.00 62.40 63.04 2cry h SER 117 CO 0.61 -0.02 -0.84 -0.83 -0.53 0.00 0.00 176.83 175.23 2cry s GLY 118 N -2.68 1.62 0.40 5.77 0.00 -1.26 -5.03 107.32 106.15 2cry s GLY 118 Ca -0.13 -1.56 0.19 0.00 0.00 0.00 0.00 44.72 43.22 2cry s GLY 118 CO 0.69 -1.57 1.82 -0.56 0.00 0.00 0.00 173.10 173.48 2cry h PRO 119 N 3.46 0.00 -6.04 2.90 0.13 -2.01 -3.45 132.00 126.99 2cry h PRO 119 Ca -0.48 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.87 2cry h PRO 119 Cb 1.19 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 2cry h PRO 119 CO 0.45 0.33 0.23 0.43 -0.23 0.00 0.00 178.00 179.20 2cry n SER 120 N -3.67 0.44 0.18 1.44 7.64 -1.26 -4.85 113.62 113.54 2cry n SER 120 Ca -0.01 1.16 -0.14 0.00 1.01 0.00 0.00 58.87 60.88 2cry n SER 120 Cb 0.43 -0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 2cry n SER 120 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cry h SER 121 N 3.60 -0.82 0.00 6.43 4.64 -2.07 -3.52 113.55 121.82 2cry h SER 121 Ca -0.49 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2cry h SER 121 Cb 1.41 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2cry h SER 121 CO 0.72 -0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.87