#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 -0.28 -0.06 1.61 0.15 -1.26 -5.17 113.70 108.70 2cry s SER 2 Ca 0.00 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2cry s SER 2 Cb 0.00 0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 65.25 2cry s SER 2 CO 0.00 -0.08 -0.19 -0.44 1.20 0.00 0.00 173.24 173.73 2cry s SER 3 N 0.91 2.41 -0.75 5.45 0.01 -1.26 -5.09 113.70 115.39 2cry s SER 3 Ca -0.05 -0.41 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 2cry s SER 3 Cb -0.03 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.44 2cry s SER 3 CO -0.12 0.16 1.28 -0.83 0.41 0.00 0.00 173.24 174.13 2cry s GLY 4 N 0.12 0.93 0.27 3.44 0.00 -1.26 -5.00 107.32 105.82 2cry s GLY 4 Ca -0.07 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.25 2cry s GLY 4 CO 0.04 2.62 0.40 -1.35 0.00 0.00 0.00 173.10 174.81 2cry s SER 5 N 3.81 6.23 -0.13 1.64 1.04 -1.26 -5.05 113.70 119.99 2cry s SER 5 Ca 0.35 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.75 2cry s SER 5 Cb -0.08 -1.72 -0.06 0.00 0.10 0.00 0.00 66.02 64.27 2cry s SER 5 CO 0.13 -0.17 -0.16 -0.24 0.98 0.00 0.00 173.24 173.78 2cry n SER 6 N -1.49 1.05 0.00 7.02 2.88 -1.26 -5.13 113.62 116.69 2cry n SER 6 Ca -0.07 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2cry n SER 6 Cb 0.57 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2cry n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cry n GLY 7 N 2.26 1.41 3.96 0.46 0.00 -1.26 -5.12 105.19 106.89 2cry n GLY 7 Ca -0.25 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 2cry n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cry s THR 8 N 0.00 2.59 -0.06 2.61 -1.32 -1.26 -5.11 115.64 113.09 2cry s THR 8 Ca 0.00 -0.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 2cry s THR 8 Cb 0.00 -3.02 0.03 0.00 -1.51 0.00 0.00 72.50 68.00 2cry s THR 8 CO 0.00 -0.02 0.03 -0.76 -2.21 0.00 0.00 174.62 171.67 2cry s LEU 9 N -4.92 0.38 -0.19 9.08 1.43 -1.26 -5.13 118.68 118.07 2cry s LEU 9 Ca 0.58 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 2cry s LEU 9 Cb -0.10 -0.29 0.14 0.00 0.03 0.00 0.00 46.19 45.96 2cry s LEU 9 CO 0.41 -0.23 1.07 0.28 0.23 0.00 0.00 176.35 178.10 2cry s THR 10 N 2.07 0.00 0.02 5.49 -1.32 -1.26 -5.18 115.64 115.46 2cry s THR 10 Ca 0.05 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.57 2cry s THR 10 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2cry s THR 10 CO -0.04 0.00 -0.13 0.68 -2.21 0.00 0.00 174.62 172.92 2cry s VAL 11 N -1.03 1.02 -0.10 5.08 -7.23 -1.26 -5.14 120.40 111.74 2cry s VAL 11 Ca 0.00 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2cry s VAL 11 Cb -0.01 -0.90 0.03 0.00 0.56 0.00 0.00 36.38 36.06 2cry s VAL 11 CO -0.01 0.11 -0.06 0.54 -0.31 0.00 0.00 175.10 175.37 2cry s ASN 12 N -0.78 2.02 0.00 4.85 2.20 -1.24 -4.21 114.94 117.78 2cry s ASN 12 Ca 0.03 -0.25 0.00 0.00 -0.94 0.00 0.00 52.86 51.69 2cry s ASN 12 Cb -0.07 -0.75 0.00 0.00 -2.00 0.00 0.00 41.25 38.44 2cry s ASN 12 CO 0.00 -0.13 0.00 0.61 -2.94 0.00 0.00 177.10 174.64 2cry n GLY 13 N 4.94 1.58 3.69 0.45 0.00 -0.74 -4.93 105.19 110.19 2cry n GLY 13 Ca -0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.81 0.72 0.23 1.61 0.04 -1.26 -4.17 135.00 131.35 2cry s PRO 14 Ca 0.00 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 2cry s PRO 14 Cb 0.00 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2cry s PRO 14 CO 0.00 -2.56 1.28 -1.25 0.04 0.00 0.00 177.00 174.51 2cry s PRO 15 N -4.95 4.41 -0.33 0.56 0.04 -1.26 -4.51 135.00 128.95 2cry s PRO 15 Ca 0.65 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.77 2cry s PRO 15 Cb -0.18 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2cry s PRO 15 CO 0.57 -0.19 0.04 0.42 0.04 0.00 0.00 177.00 177.88 2cry s ILE 16 N -0.21 2.36 -0.28 0.56 1.01 -1.26 -4.55 121.20 118.83 2cry s ILE 16 Ca 0.54 -2.19 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 2cry s ILE 16 Cb -0.36 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2cry s ILE 16 CO 0.41 -0.51 0.58 -0.63 0.00 0.00 0.00 174.94 174.79 2cry s ILE 17 N 0.96 5.00 -0.13 2.92 1.01 -1.26 -1.39 121.20 128.30 2cry s ILE 17 Ca 0.07 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.52 2cry s ILE 17 Cb -0.19 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2cry s ILE 17 CO -0.07 -0.04 -0.15 0.77 0.00 0.00 0.00 174.94 175.45 2cry h SER 18 N 8.10 0.00 -1.75 3.58 4.64 -1.96 -3.48 113.55 122.68 2cry h SER 18 Ca -0.28 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.26 2cry h SER 18 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 2cry h SER 18 CO 0.76 0.71 0.59 -0.24 -0.87 0.00 0.00 176.83 177.79 2cry n SER 19 N -4.60 -1.02 -4.24 4.97 2.88 -1.26 -5.04 113.62 105.32 2cry n SER 19 Ca -0.06 -1.34 -0.22 0.00 -1.33 0.00 0.00 58.87 55.91 2cry n SER 19 Cb 0.23 1.60 -0.13 0.00 -0.75 0.00 0.00 64.21 65.16 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2cry s THR 20 N -2.10 1.49 -1.20 2.46 -4.23 -1.26 0.18 115.64 110.99 2cry s THR 20 Ca 0.20 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.17 2cry s THR 20 Cb -0.01 -1.36 0.13 0.00 1.34 0.00 0.00 72.50 72.60 2cry s THR 20 CO 0.01 -0.06 1.49 -1.10 -0.54 0.00 0.00 174.62 174.42 2cry s GLN 21 N -1.70 3.99 0.98 3.99 -1.52 0.38 -4.94 119.66 120.84 2cry s GLN 21 Ca 0.04 -2.26 -0.16 0.00 -1.95 0.00 0.00 55.36 51.04 2cry s GLN 21 Cb -0.10 -5.20 0.20 0.00 -0.22 0.00 0.00 33.01 27.69 2cry s GLN 21 CO 0.03 -1.93 1.25 0.95 -0.25 0.00 0.00 175.29 175.34 2cry s THR 22 N 2.63 1.93 0.03 -0.19 -4.23 -1.26 -4.32 115.64 110.22 2cry s THR 22 Ca 0.45 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.68 2cry s THR 22 Cb -0.01 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 71.04 2cry s THR 22 CO 0.01 0.00 0.92 0.00 -0.54 0.00 0.00 174.62 175.01 2cry s GLN 23 N -5.71 0.90 -1.18 3.99 0.00 -1.26 -5.07 119.66 111.32 2cry s GLN 23 Ca 0.71 -0.39 -0.23 0.00 -0.00 0.00 0.00 55.36 55.45 2cry s GLN 23 Cb -0.07 0.38 -0.10 0.00 0.00 0.00 0.00 33.01 33.22 2cry s GLN 23 CO 0.53 -0.40 1.95 -1.01 0.00 0.00 0.00 175.29 176.36 2cry s HIS 24 N -3.13 1.89 1.00 9.60 3.76 -1.26 -4.72 115.29 122.43 2cry s HIS 24 Ca 0.07 0.63 -0.16 0.00 -0.15 0.00 0.00 55.06 55.46 2cry s HIS 24 Cb -0.01 -3.94 0.02 0.00 1.11 0.00 0.00 32.58 29.77 2cry s HIS 24 CO -0.06 -1.14 0.06 0.00 -0.85 0.00 0.00 174.74 172.76 2cry n ALA 25 N 14.88 -3.52 -2.99 -1.40 0.00 -1.26 -4.62 120.51 121.61 2cry n ALA 25 Ca 0.45 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 2cry n ALA 25 Cb 0.47 -1.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 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 0.35 1.70 0.33 0.00 1.43 -1.26 -4.34 118.68 116.89 2cry s LEU 26 Ca 0.54 0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.82 2cry s LEU 26 Cb -0.17 0.34 1.03 0.00 0.03 0.00 0.00 46.19 47.42 2cry s LEU 26 CO 0.69 -0.10 1.60 -0.74 0.23 0.00 0.00 176.35 178.03 2cry h HIS 27 N 5.65 0.52 0.09 0.29 -0.00 -1.93 0.43 115.15 120.22 2cry h HIS 27 Ca -0.26 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2cry h HIS 27 Cb 1.20 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2cry h HIS 27 CO 0.46 -0.37 -0.05 0.78 -0.00 0.00 0.00 177.93 178.75 2cry h GLY 28 N 0.09 -0.13 -0.75 5.26 0.00 -1.94 -3.36 103.07 102.24 2cry h GLY 28 Ca 0.71 0.05 -0.46 0.00 0.00 0.00 0.00 47.33 47.63 2cry h GLY 28 CO -0.76 -0.05 0.29 -0.54 0.00 0.00 0.00 176.54 175.48 2cry s GLU 29 N -4.09 1.06 -0.01 4.80 2.02 0.14 -4.64 118.70 117.98 2cry s GLU 29 Ca -0.15 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.09 2cry s GLU 29 Cb 0.01 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 2cry s GLU 29 CO 0.60 -2.25 0.18 0.15 0.02 0.00 0.00 175.26 173.96 2cry s LYS 30 N -5.28 3.42 -0.94 1.61 1.02 -1.26 -4.03 119.74 114.29 2cry s LYS 30 Ca 0.64 -0.32 -0.24 0.00 0.02 0.00 0.00 55.97 56.07 2cry s LYS 30 Cb -0.15 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2cry s LYS 30 CO 0.53 0.68 1.64 0.20 -0.92 0.00 0.00 175.35 177.48 2cry s GLY 31 N -1.88 0.80 -0.27 -3.33 0.00 0.87 -4.63 107.32 98.88 2cry s GLY 31 Ca 0.26 -1.85 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 2cry s GLY 31 CO 0.18 3.01 0.49 1.62 0.00 0.00 0.00 173.10 178.39 2cry s GLN 32 N 5.85 4.02 -0.27 2.90 0.74 -1.24 -0.82 119.66 130.84 2cry s GLN 32 Ca 0.55 0.23 0.00 0.00 0.05 0.00 0.00 55.36 56.20 2cry s GLN 32 Cb -0.04 -3.67 0.08 0.00 1.10 0.00 0.00 33.01 30.49 2cry s GLN 32 CO -0.04 -0.36 0.02 0.42 -0.55 0.00 0.00 175.29 174.78 2cry s ILE 33 N 2.28 1.32 -0.16 -2.34 1.01 -0.40 -4.69 121.20 118.21 2cry s ILE 33 Ca 0.20 -1.37 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 2cry s ILE 33 Cb -0.16 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2cry s ILE 33 CO 0.10 -0.37 0.06 -1.59 0.00 0.00 0.00 174.94 173.14 2cry s LYS 34 N 1.44 3.81 -0.22 2.79 -2.85 -1.26 -0.96 119.74 122.49 2cry s LYS 34 Ca 0.02 -0.33 -0.08 0.00 -1.00 0.00 0.00 55.97 54.58 2cry s LYS 34 Cb -0.18 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.39 2cry s LYS 34 CO -0.13 0.38 0.08 0.00 0.10 0.00 0.00 175.35 175.79 2cry n PHE 36 N 4.22 3.58 -2.71 0.00 3.01 0.13 -3.32 117.46 122.37 2cry n PHE 36 Ca -0.16 -2.25 -0.43 0.00 1.01 0.00 0.00 57.45 55.62 2cry n PHE 36 Cb 0.52 -2.54 -0.03 0.00 -0.01 0.00 0.00 39.48 37.42 2cry n PHE 36 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2cry s ILE 37 N 6.69 4.43 -0.45 4.37 1.01 -0.45 -3.43 121.20 133.37 2cry s ILE 37 Ca 0.59 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 62.48 2cry s ILE 37 Cb 0.04 -4.45 0.32 0.00 0.01 0.00 0.00 42.46 38.38 2cry s ILE 37 CO 0.09 -0.72 2.00 0.54 0.00 0.00 0.00 174.94 176.84 2cry n ARG 38 N 7.20 2.15 -2.48 2.79 1.74 -0.49 -0.24 116.66 127.32 2cry n ARG 38 Ca 0.10 -2.27 -0.42 0.00 -0.77 0.00 0.00 57.85 54.48 2cry n ARG 38 Cb 0.48 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2cry s SER 39 N -0.66 7.10 -0.25 0.55 0.15 -1.26 -4.39 113.70 114.94 2cry s SER 39 Ca 0.45 1.85 -0.02 0.00 0.70 0.00 0.00 55.95 58.93 2cry s SER 39 Cb 0.35 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 62.21 2cry s SER 39 CO -0.00 -0.50 0.28 -0.89 1.20 0.00 0.00 173.24 173.32 2cry s THR 40 N 1.69 -0.40 1.01 6.45 2.01 -1.26 -3.05 115.64 122.09 2cry s THR 40 Ca 0.56 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 2cry s THR 40 Cb -0.26 -0.83 0.19 0.00 0.01 0.00 0.00 72.50 71.62 2cry s THR 40 CO 0.25 -0.30 1.09 -2.16 -0.69 0.00 0.00 174.62 172.81 2cry s PRO 41 N 2.38 0.36 0.89 4.92 0.04 -1.26 -1.80 135.00 140.53 2cry s PRO 41 Ca 0.09 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 2cry s PRO 41 Cb -0.15 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.79 2cry s PRO 41 CO -0.21 -2.78 1.09 -1.25 0.04 0.00 0.00 177.00 173.89 2cry s PRO 42 N -4.96 1.30 0.45 0.56 0.04 -1.17 -4.74 135.00 126.48 2cry s PRO 42 Ca 0.65 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 2cry s PRO 42 Cb -0.19 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2cry s PRO 42 CO 0.58 -2.21 1.17 -1.25 0.04 0.00 0.00 177.00 175.32 2cry s PRO 43 N -4.94 3.82 0.31 0.56 0.04 -1.26 -4.81 135.00 128.72 2cry s PRO 43 Ca 0.63 1.80 0.15 0.00 0.04 0.00 0.00 61.00 63.62 2cry s PRO 43 Cb -0.18 -2.47 0.39 0.00 0.04 0.00 0.00 34.50 32.28 2cry s PRO 43 CO 0.57 -0.51 1.60 -0.44 0.04 0.00 0.00 177.00 178.26 2cry h ASP 44 N 2.18 0.00 -5.02 6.66 5.19 0.24 -3.46 116.42 122.21 2cry h ASP 44 Ca -0.49 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.78 2cry h ASP 44 Cb 1.24 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.56 2cry h ASP 44 CO 0.61 0.51 -0.49 -0.60 -3.12 0.00 0.00 179.24 176.14 2cry s ARG 45 N -3.35 0.53 -0.09 3.56 3.52 -0.81 -5.01 118.95 117.30 2cry s ARG 45 Ca 0.01 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.01 2cry s ARG 45 Cb 0.10 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 2cry s ARG 45 CO 0.73 -0.13 0.25 0.42 -0.81 0.00 0.00 175.30 175.75 2cry s ILE 46 N -1.81 -0.00 0.02 4.11 1.01 -1.26 -0.18 121.20 123.08 2cry s ILE 46 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2cry s ILE 46 Cb -0.05 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 2cry s ILE 46 CO -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 174.94 174.86 2cry s ALA 47 N 0.13 0.58 -0.51 9.38 0.00 -0.58 -4.58 121.76 126.18 2cry s ALA 47 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2cry s ALA 47 Cb -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.18 2cry s ALA 47 CO 0.00 0.07 0.29 -1.58 0.00 0.00 0.00 175.76 174.54 2cry s TRP 48 N -0.70 3.46 0.01 0.00 0.52 0.10 -1.97 118.94 120.35 2cry s TRP 48 Ca -0.03 -2.77 0.07 0.00 0.02 0.00 0.00 56.10 53.39 2cry s TRP 48 Cb -0.06 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 2cry s TRP 48 CO 0.00 -0.87 -0.21 -1.54 0.02 0.00 0.00 176.95 174.35 2cry s SER 49 N 0.83 3.55 -0.01 2.95 1.04 -0.98 -1.56 113.70 119.52 2cry s SER 49 Ca 0.14 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 2cry s SER 49 Cb -0.22 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.35 2cry s SER 49 CO -0.04 0.29 -0.07 -2.67 0.98 0.00 0.00 173.24 171.74 2cry n TRP 50 N 1.99 0.00 0.00 5.02 2.14 -1.18 -2.00 117.44 123.40 2cry n TRP 50 Ca -0.16 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.41 2cry n TRP 50 Cb 0.52 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 30.92 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 -3.09 0.00 0.00 -2.67 4.76 -1.26 -4.73 118.16 111.17 2cry n LYS 51 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2cry n LYS 51 Cb 0.10 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 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 -2.50 2.40 -2.57 1.97 1.02 -1.26 -5.06 120.64 114.64 2cry n GLU 52 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2cry n GLU 52 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.96 7.01 -0.33 1.62 0.01 -1.26 -5.04 114.94 114.99 2cry s ASN 53 Ca 0.00 2.06 -0.01 0.00 -0.71 0.00 0.00 52.86 54.20 2cry s ASN 53 Cb 0.00 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.18 2cry s ASN 53 CO 0.00 -0.32 0.14 -0.69 -1.51 0.00 0.00 177.10 174.73 2cry s VAL 54 N -1.51 0.58 -0.41 1.60 1.01 -1.26 -3.13 120.40 117.29 2cry s VAL 54 Ca 0.53 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 2cry s VAL 54 Cb -0.24 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2cry s VAL 54 CO 0.30 -0.77 0.68 -0.22 0.00 0.00 0.00 175.10 175.10 2cry s LEU 55 N 1.48 4.33 -0.10 3.92 0.20 -0.60 -4.83 118.68 123.09 2cry s LEU 55 Ca 0.12 -0.07 -0.22 0.00 0.69 0.00 0.00 54.13 54.65 2cry s LEU 55 Cb -0.19 -2.82 -0.28 0.00 -0.43 0.00 0.00 46.19 42.47 2cry s LEU 55 CO -0.21 -0.74 0.70 -0.33 -0.29 0.00 0.00 176.35 175.48 2cry h GLU 56 N 8.73 0.17 -1.44 1.98 5.08 -1.86 0.29 114.58 127.53 2cry h GLU 56 Ca -0.26 -0.30 0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2cry h GLU 56 Cb 1.10 0.11 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 2cry h GLU 56 CO 0.89 1.14 0.60 -1.12 -1.00 0.00 0.00 179.01 179.52 2cry s SER 57 N -6.78 -0.32 0.00 1.42 0.01 -1.26 -4.67 113.70 102.10 2cry s SER 57 Ca -0.18 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2cry s SER 57 Cb 0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2cry s SER 57 CO 0.75 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2cry n GLY 58 N 1.64 -0.44 3.19 3.44 0.00 -1.25 -4.94 105.19 106.84 2cry n GLY 58 Ca -0.11 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.02 3.33 -0.09 2.61 2.01 -1.26 -2.18 115.64 120.05 2cry s THR 59 Ca 0.00 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.49 2cry s THR 59 Cb 0.00 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2cry s THR 59 CO 0.00 -0.27 0.21 -0.55 -0.69 0.00 0.00 174.62 173.31 2cry s SER 60 N 1.46 -0.19 -0.98 3.53 0.15 -0.22 -4.90 113.70 112.55 2cry s SER 60 Ca -0.01 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.06 2cry s SER 60 Cb -0.20 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2cry s SER 60 CO -0.01 -0.16 0.83 0.61 1.20 0.00 0.00 173.24 175.71 2cry n GLY 61 N 4.25 -0.20 2.38 9.45 0.00 -1.26 -2.24 105.19 117.56 2cry n GLY 61 Ca -0.25 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.62 -1.64 -4.73 1.61 1.74 -1.26 -4.95 116.66 103.81 2cry n ARG 62 Ca -0.16 0.94 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 2cry n ARG 62 Cb 0.61 -5.42 -0.17 0.00 -1.02 0.00 0.00 32.46 26.46 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 -2.68 2.12 -0.25 -1.55 2.02 -0.95 -2.10 117.35 113.96 2cry s TYR 63 Ca 0.00 -0.93 0.03 0.00 -0.37 0.00 0.00 57.07 55.79 2cry s TYR 63 Cb 0.00 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 2cry s TYR 63 CO 0.00 -0.44 -0.12 0.99 -1.57 0.00 0.00 175.55 174.41 2cry s THR 64 N 0.71 2.18 -0.08 -0.71 2.01 0.91 -1.05 115.64 119.60 2cry s THR 64 Ca -0.12 -1.52 -0.14 0.00 0.31 0.00 0.00 61.69 60.22 2cry s THR 64 Cb -0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 2cry s THR 64 CO 0.02 0.06 0.36 -0.69 -0.69 0.00 0.00 174.62 173.69 2cry s VAL 65 N 1.14 5.19 -0.20 3.82 1.01 -0.93 -0.32 120.40 130.11 2cry s VAL 65 Ca -0.07 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2cry s VAL 65 Cb -0.19 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.61 2cry s VAL 65 CO -0.06 0.48 0.39 -1.61 0.00 0.00 0.00 175.10 174.29 2cry s GLU 66 N -0.27 0.31 -0.16 2.72 2.02 -0.02 -3.79 118.70 119.51 2cry s GLU 66 Ca 0.21 0.88 -0.08 0.00 0.02 0.00 0.00 54.97 56.00 2cry s GLU 66 Cb -0.15 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 2cry s GLU 66 CO 0.09 -0.35 0.14 0.99 0.02 0.00 0.00 175.26 176.14 2cry s THR 67 N 2.58 5.46 0.30 3.63 2.01 -1.26 -0.27 115.64 128.09 2cry s THR 67 Ca 0.02 0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.33 2cry s THR 67 Cb -0.13 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2cry s THR 67 CO -0.13 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.61 2cry s ILE 68 N -0.34 2.68 -0.21 1.82 -1.09 0.87 -4.95 121.20 119.98 2cry s ILE 68 Ca 0.12 -2.17 -0.04 0.00 -2.23 0.00 0.00 60.65 56.33 2cry s ILE 68 Cb -0.12 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2cry s ILE 68 CO 0.01 -0.31 -0.04 -0.44 -1.23 0.00 0.00 174.94 172.93 2cry s SER 69 N -3.61 4.43 0.36 3.58 0.01 -1.26 -1.00 113.70 116.20 2cry s SER 69 Ca 0.32 -0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.33 2cry s SER 69 Cb -0.03 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 2cry s SER 69 CO 0.17 0.02 0.03 0.42 0.41 0.00 0.00 173.24 174.29 2cry s THR 70 N 1.24 2.50 0.40 1.44 -4.23 0.14 -4.94 115.64 112.20 2cry s THR 70 Ca 0.03 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 2cry s THR 70 Cb -0.14 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.06 2cry s THR 70 CO -0.01 -0.15 1.98 1.05 -0.54 0.00 0.00 174.62 176.94 2cry h GLU 71 N 1.76 0.37 0.00 3.99 4.11 -1.99 -1.15 114.58 121.67 2cry h GLU 71 Ca -0.43 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2cry h GLU 71 Cb 1.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2cry h GLU 71 CO 0.69 0.37 -0.27 -0.85 0.07 0.00 0.00 179.01 179.01 2cry n GLU 72 N -4.37 0.12 0.00 1.06 0.28 -1.26 -5.01 120.64 111.46 2cry n GLU 72 Ca 0.01 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2cry n GLU 72 Cb 0.18 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2cry n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cry n GLY 73 N 1.43 -0.41 3.46 -1.84 0.00 -0.44 -4.32 105.19 103.08 2cry n GLY 73 Ca 0.05 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.14 1.61 -7.23 0.66 0.27 120.40 115.57 2cry s VAL 74 Ca 0.00 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2cry s VAL 74 Cb 0.00 -2.30 0.07 0.00 0.56 0.00 0.00 36.38 34.71 2cry s VAL 74 CO 0.00 0.00 0.29 -0.63 -0.31 0.00 0.00 175.10 174.45 2cry s ILE 75 N -4.06 -0.45 -0.51 -0.62 1.01 -0.17 -1.34 121.20 115.06 2cry s ILE 75 Ca 0.28 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 2cry s ILE 75 Cb 0.02 -0.48 0.08 0.00 0.01 0.00 0.00 42.46 42.08 2cry s ILE 75 CO 0.10 0.10 0.54 -0.55 0.00 0.00 0.00 174.94 175.13 2cry s SER 76 N 2.45 6.19 -0.08 3.58 0.15 -1.21 -0.09 113.70 124.69 2cry s SER 76 Ca 0.01 -1.24 -0.14 0.00 0.70 0.00 0.00 55.95 55.28 2cry s SER 76 Cb -0.12 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2cry s SER 76 CO -0.09 -0.83 0.34 -0.89 1.20 0.00 0.00 173.24 172.96 2cry s THR 77 N 2.16 5.20 -0.23 6.45 2.01 0.63 -2.58 115.64 129.28 2cry s THR 77 Ca 0.09 0.67 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2cry s THR 77 Cb -0.23 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2cry s THR 77 CO 0.08 0.50 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 2cry s LEU 78 N -0.45 2.79 0.01 4.42 2.96 -0.14 -0.84 118.68 127.43 2cry s LEU 78 Ca 0.21 -1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 52.80 2cry s LEU 78 Cb -0.15 -1.36 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 2cry s LEU 78 CO 0.09 -0.17 0.48 -0.89 -1.32 0.00 0.00 176.35 174.54 2cry s THR 79 N 1.27 4.95 -0.30 3.68 2.01 0.57 -1.27 115.64 126.55 2cry s THR 79 Ca -0.05 1.01 0.03 0.00 0.31 0.00 0.00 61.69 62.99 2cry s THR 79 Cb -0.18 -3.80 0.08 0.00 0.01 0.00 0.00 72.50 68.61 2cry s THR 79 CO -0.07 0.53 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.75 2cry s ILE 80 N -0.79 2.02 0.35 1.82 1.01 -0.00 -0.06 121.20 125.55 2cry s ILE 80 Ca 0.26 -1.90 -0.28 0.00 0.00 0.00 0.00 60.65 58.73 2cry s ILE 80 Cb -0.17 -2.36 -0.11 0.00 0.01 0.00 0.00 42.46 39.83 2cry s ILE 80 CO 0.15 -0.36 1.44 -0.94 0.00 0.00 0.00 174.94 175.22 2cry s SER 81 N 1.09 6.49 -1.19 3.58 1.04 -0.89 -0.09 113.70 123.73 2cry s SER 81 Ca 0.03 2.91 -0.05 0.00 0.48 0.00 0.00 55.95 59.32 2cry s SER 81 Cb -0.19 -2.66 0.01 0.00 0.10 0.00 0.00 66.02 63.28 2cry s SER 81 CO -0.08 -0.76 0.09 0.59 0.98 0.00 0.00 173.24 174.05 2cry n ASN 82 N 0.78 0.10 -4.40 7.02 3.02 -1.26 -4.75 115.26 115.78 2cry n ASN 82 Ca 0.01 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.14 2cry n ASN 82 Cb 0.40 -1.26 0.01 0.00 -0.61 0.00 0.00 39.78 38.32 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 -3.91 1.39 -3.83 2.41 3.06 -1.15 -4.94 119.36 112.38 2cry n ILE 83 Ca -0.23 -0.50 -0.18 0.00 -2.50 0.00 0.00 62.75 59.33 2cry n ILE 83 Cb 0.54 -0.38 -0.00 0.00 0.54 0.00 0.00 39.64 40.34 2cry n ILE 83 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 2cry n VAL 84 N -1.12 0.00 -0.05 9.51 0.24 -1.26 -4.26 118.33 121.39 2cry n VAL 84 Ca 0.11 -1.50 -0.15 0.00 -2.04 0.00 0.00 64.34 60.76 2cry n VAL 84 Cb 0.42 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 2cry n VAL 84 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2cry h ARG 85 N 0.00 0.56 -0.98 7.34 3.08 -2.03 -3.19 114.38 119.17 2cry h ARG 85 Ca -0.24 -0.39 0.22 0.00 0.07 0.00 0.00 59.98 59.64 2cry h ARG 85 Cb 0.87 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.86 2cry h ARG 85 CO 0.38 1.01 0.56 0.00 -1.07 0.00 0.00 179.97 180.85 2cry h ALA 86 N 0.55 1.68 -1.19 0.04 0.00 -1.99 0.93 119.26 119.28 2cry h ALA 86 Ca -0.01 0.11 0.37 0.00 0.00 0.00 0.00 54.91 55.39 2cry h ALA 86 Cb 1.02 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 2cry h ALA 86 CO 0.09 -0.20 0.75 -0.44 0.00 0.00 0.00 179.25 179.45 2cry h ASP 87 N 0.61 0.34 -0.12 0.00 5.19 -1.90 0.64 116.42 121.19 2cry h ASP 87 Ca 0.60 0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 56.97 2cry h ASP 87 Cb 1.08 0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.70 2cry h ASP 87 CO -0.45 -0.11 -0.62 -0.26 -3.12 0.00 0.00 179.24 174.68 2cry h PHE 88 N 0.20 0.84 0.00 4.55 0.04 -0.98 -3.18 116.94 118.41 2cry h PHE 88 Ca 0.75 -0.38 -0.08 0.00 2.80 0.00 0.00 57.97 61.06 2cry h PHE 88 Cb 2.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 40.16 2cry h PHE 88 CO -0.01 1.18 -0.38 1.96 -0.60 0.00 0.00 178.31 180.46 2cry h GLN 89 N 0.27 0.00 -6.71 1.51 1.08 0.07 -3.39 115.11 107.94 2cry h GLN 89 Ca -0.04 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.66 2cry h GLN 89 Cb 1.26 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 2cry h GLN 89 CO 0.13 0.38 0.31 0.99 -0.95 0.00 0.00 178.83 179.69 2cry s THR 90 N -4.03 4.16 -0.04 -0.54 2.01 0.12 -5.04 115.64 112.28 2cry s THR 90 Ca -0.02 1.96 -0.17 0.00 0.31 0.00 0.00 61.69 63.77 2cry s THR 90 Cb 0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2cry s THR 90 CO 0.71 0.47 0.47 -0.63 -0.69 0.00 0.00 174.62 174.95 2cry s ILE 91 N -1.22 5.04 0.11 1.82 1.09 -1.26 -4.55 121.20 122.23 2cry s ILE 91 Ca 0.41 0.97 0.04 0.00 -1.10 0.00 0.00 60.65 60.96 2cry s ILE 91 Cb -0.25 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 2cry s ILE 91 CO 0.30 0.46 0.10 -0.31 -0.10 0.00 0.00 174.94 175.39 2cry s TYR 92 N -0.32 3.17 -0.16 3.97 2.02 -0.19 -4.16 117.35 121.67 2cry s TYR 92 Ca 0.26 0.04 -0.07 0.00 -0.37 0.00 0.00 57.07 56.92 2cry s TYR 92 Cb -0.17 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 39.88 2cry s TYR 92 CO 0.13 0.52 0.37 -0.80 -1.57 0.00 0.00 175.55 174.20 2cry s ASN 93 N -2.66 -0.30 -0.68 2.29 0.01 -0.85 -0.57 114.94 112.19 2cry s ASN 93 Ca 0.30 0.82 -0.08 0.00 -0.71 0.00 0.00 52.86 53.18 2cry s ASN 93 Cb -0.11 0.83 0.18 0.00 0.41 0.00 0.00 41.25 42.56 2cry s ASN 93 CO 0.22 -0.20 0.56 0.00 -1.51 0.00 0.00 177.10 176.17 2cry s THR 95 N 0.25 4.85 0.16 0.00 2.01 -0.83 -3.75 115.64 118.32 2cry s THR 95 Ca 0.15 1.63 0.11 0.00 0.31 0.00 0.00 61.69 63.89 2cry s THR 95 Cb -0.17 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2cry s THR 95 CO -0.05 0.30 -0.24 0.00 -0.69 0.00 0.00 174.62 173.94 2cry s ALA 96 N 0.34 2.49 -0.09 7.40 0.00 -0.64 -1.53 121.76 129.73 2cry s ALA 96 Ca 0.40 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2cry s ALA 96 Cb -0.20 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2cry s ALA 96 CO 0.22 0.49 -0.08 -1.58 0.00 0.00 0.00 175.76 174.81 2cry s TRP 97 N -1.37 1.31 0.07 0.00 0.51 0.74 -2.26 118.94 117.93 2cry s TRP 97 Ca 0.18 -0.56 0.06 0.00 -2.12 0.00 0.00 56.10 53.66 2cry s TRP 97 Cb -0.09 -1.07 -0.03 0.00 -0.81 0.00 0.00 33.47 31.47 2cry s TRP 97 CO 0.08 -0.38 -0.16 1.21 -0.51 0.00 0.00 176.95 177.19 2cry s ASN 98 N 1.31 1.85 0.56 2.95 2.47 0.90 0.22 114.94 125.21 2cry s ASN 98 Ca -0.03 -0.58 0.21 0.00 0.42 0.00 0.00 52.86 52.88 2cry s ASN 98 Cb -0.14 -0.09 1.16 0.00 -1.45 0.00 0.00 41.25 40.73 2cry s ASN 98 CO -0.03 -0.01 1.62 -1.28 -3.72 0.00 0.00 177.10 173.67 2cry h SER 99 N 4.47 0.00 0.41 -4.21 0.87 -1.93 0.57 113.55 113.73 2cry h SER 99 Ca -0.41 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.84 2cry h SER 99 Cb 1.18 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2cry h SER 99 CO 0.41 0.00 -1.75 -0.26 -0.53 0.00 0.00 176.83 174.70 2cry h PHE 100 N 0.00 0.14 0.00 2.24 -1.00 -1.95 -3.51 116.94 112.87 2cry h PHE 100 Ca 0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2cry h PHE 100 Cb 0.81 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2cry h PHE 100 CO 0.00 1.22 0.00 0.41 -1.61 0.00 0.00 178.31 178.33 2cry n GLY 101 N 1.66 -0.88 3.60 -1.45 0.00 0.20 -4.61 105.19 103.71 2cry n GLY 101 Ca -0.20 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.23 0.32 1.61 0.01 -1.26 -0.07 113.70 110.08 2cry s SER 102 Ca 0.00 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.02 2cry s SER 102 Cb 0.00 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.58 2cry s SER 102 CO 0.00 -0.56 0.61 -0.62 0.41 0.00 0.00 173.24 173.08 2cry s ASP 103 N -2.60 0.16 -0.28 2.44 2.15 -0.96 -4.77 116.67 112.81 2cry s ASP 103 Ca 0.09 -1.08 -0.16 0.00 0.43 0.00 0.00 52.55 51.83 2cry s ASP 103 Cb -0.00 0.71 0.09 0.00 -0.30 0.00 0.00 42.92 43.42 2cry s ASP 103 CO -0.05 -1.38 0.75 -0.89 -0.17 0.00 0.00 175.17 173.44 2cry s THR 104 N -3.26 -0.02 0.15 1.71 2.01 -1.26 -1.63 115.64 113.35 2cry s THR 104 Ca 0.20 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.31 2cry s THR 104 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2cry s THR 104 CO 0.12 0.00 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.13 2cry s GLU 105 N 1.60 1.58 0.03 4.92 2.56 -1.25 -4.99 118.70 123.16 2cry s GLU 105 Ca -0.10 -1.37 0.02 0.00 0.00 0.00 0.00 54.97 53.52 2cry s GLU 105 Cb -0.05 -1.95 -0.04 0.00 2.00 0.00 0.00 34.13 34.09 2cry s GLU 105 CO -0.19 0.44 0.05 0.42 -0.56 0.00 0.00 175.26 175.41 2cry s ILE 106 N -1.35 4.41 -0.12 -3.70 1.01 -1.26 -2.60 121.20 117.60 2cry s ILE 106 Ca 0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 2cry s ILE 106 Cb -0.09 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.39 2cry s ILE 106 CO 0.09 0.27 0.23 -0.63 0.00 0.00 0.00 174.94 174.90 2cry s ILE 107 N -1.23 -0.37 -0.86 2.92 1.09 0.27 -4.97 121.20 118.05 2cry s ILE 107 Ca 0.24 0.30 -0.06 0.00 -1.10 0.00 0.00 60.65 60.03 2cry s ILE 107 Cb -0.12 -0.40 0.22 0.00 -1.06 0.00 0.00 42.46 41.10 2cry s ILE 107 CO 0.15 0.13 0.77 -0.13 -0.10 0.00 0.00 174.94 175.76 2cry s ARG 108 N 2.38 3.38 0.39 2.79 3.00 -1.26 -1.03 118.95 128.60 2cry s ARG 108 Ca 0.02 -2.92 -0.26 0.00 0.00 0.00 0.00 55.73 52.56 2cry s ARG 108 Cb -0.12 -4.13 -0.11 0.00 0.00 0.00 0.00 34.95 30.59 2cry s ARG 108 CO -0.08 -1.24 1.27 -0.11 0.00 0.00 0.00 175.30 175.14 2cry n LEU 109 N 3.02 3.78 0.00 2.53 7.94 -1.26 -5.01 117.00 128.00 2cry n LEU 109 Ca 0.17 1.14 -0.18 0.00 -1.11 0.00 0.00 56.01 56.03 2cry n LEU 109 Cb 0.40 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.83 2cry n LEU 109 CO 0.37 -0.62 -0.10 0.29 -1.11 0.00 0.00 177.39 176.23 2cry n LYS 110 N 0.25 1.20 -4.50 1.96 5.02 -1.26 -4.20 118.16 116.63 2cry n LYS 110 Ca 0.06 -2.17 -0.25 0.00 -2.02 0.00 0.00 58.31 53.94 2cry n LYS 110 Cb 0.38 0.49 -0.10 0.00 -0.02 0.00 0.00 35.03 35.78 2cry n LYS 110 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2cry s GLU 111 N -3.16 1.73 0.17 1.97 2.12 -1.26 -4.19 118.70 116.07 2cry s GLU 111 Ca 0.05 -1.83 -0.33 0.00 0.36 0.00 0.00 54.97 53.22 2cry s GLU 111 Cb -0.00 -1.73 -0.16 0.00 0.26 0.00 0.00 34.13 32.50 2cry s GLU 111 CO 0.03 0.26 1.21 0.94 -0.54 0.00 0.00 175.26 177.16 2cry n GLN 112 N -0.68 1.25 0.00 4.30 -0.06 -1.26 -4.80 117.38 116.13 2cry n GLN 112 Ca -0.05 0.45 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 2cry n GLN 112 Cb 0.61 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2cry n GLY 113 N 2.11 -0.72 0.16 1.69 0.00 -1.26 -5.02 105.19 102.15 2cry n GLY 113 Ca 0.15 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2cry n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cry n SER 114 N 0.00 1.97 -3.77 1.61 3.41 -1.26 -4.96 113.62 110.62 2cry n SER 114 Ca 0.00 0.09 -0.32 0.00 -0.26 0.00 0.00 58.87 58.39 2cry n SER 114 Cb 0.00 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.32 2cry n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2cry n GLU 115 N -3.69 -0.85 0.01 4.33 0.00 -1.26 -4.67 120.64 114.51 2cry n GLU 115 Ca -0.47 0.10 -0.01 0.00 0.00 0.00 0.00 57.16 56.79 2cry n GLU 115 Cb 0.91 -3.63 -0.00 0.00 0.00 0.00 0.00 31.44 28.72 2cry n GLU 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2cry n MET 116 N -3.19 0.01 -1.39 3.44 1.56 -1.26 -4.78 117.12 111.52 2cry n MET 116 Ca 0.09 0.01 -0.35 0.00 -0.27 0.00 0.00 57.70 57.17 2cry n MET 116 Cb 0.35 -0.52 0.08 0.00 2.15 0.00 0.00 33.22 35.27 2cry n MET 116 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2cry n SER 117 N -3.14 7.61 0.00 6.12 2.88 -1.26 -5.03 113.62 120.80 2cry n SER 117 Ca -0.01 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 2cry n SER 117 Cb 0.39 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2cry n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cry n GLY 118 N -0.89 -2.87 3.63 0.46 0.00 -1.26 -4.99 105.19 99.27 2cry n GLY 118 Ca 0.62 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2cry n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 119 N -0.65 -0.50 0.17 1.61 0.04 -1.26 -4.40 135.00 130.01 2cry s PRO 119 Ca 0.00 0.20 0.10 0.00 0.04 0.00 0.00 61.00 61.34 2cry s PRO 119 Cb 0.00 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2cry s PRO 119 CO 0.00 -3.28 -0.22 -1.12 0.04 0.00 0.00 177.00 172.42 2cry s SER 120 N -3.68 3.08 0.19 6.66 0.01 -1.26 -5.04 113.70 113.65 2cry s SER 120 Ca 0.68 -0.83 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 2cry s SER 120 Cb -0.14 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2cry s SER 120 CO 0.57 0.07 0.42 -0.94 0.41 0.00 0.00 173.24 173.77 2cry s SER 121 N -2.52 -0.12 0.00 2.44 1.04 -1.26 -5.23 113.70 108.05 2cry s SER 121 Ca 0.17 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2cry s SER 121 Cb -0.08 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2cry s SER 121 CO 0.08 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.90