#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 -0.48 0.29 1.61 0.15 -1.26 -5.18 113.70 108.83 2cry s SER 2 Ca 0.00 0.71 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 2cry s SER 2 Cb 0.00 0.73 -0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2cry s SER 2 CO 0.00 -0.37 0.45 -0.44 1.20 0.00 0.00 173.24 174.08 2cry s SER 3 N -0.54 0.37 0.00 5.45 0.01 -1.26 -5.18 113.70 112.56 2cry s SER 3 Ca -0.07 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2cry s SER 3 Cb -0.03 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2cry s SER 3 CO 0.04 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.10 2cry n GLY 4 N -0.45 3.62 2.48 3.44 0.00 -1.26 -5.01 105.19 108.01 2cry n GLY 4 Ca -0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2cry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cry n SER 5 N 0.00 7.16 -3.15 1.61 7.64 -1.26 -4.73 113.62 120.89 2cry n SER 5 Ca 0.00 -3.18 0.05 0.00 1.01 0.00 0.00 58.87 56.75 2cry n SER 5 Cb 0.00 -1.29 -0.01 0.00 -1.01 0.00 0.00 64.21 61.90 2cry n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cry s SER 6 N 0.36 -1.03 -0.14 6.43 0.01 -1.26 -5.04 113.70 113.04 2cry s SER 6 Ca 0.57 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2cry s SER 6 Cb 0.29 1.77 -0.01 0.00 0.21 0.00 0.00 66.02 68.29 2cry s SER 6 CO -0.16 -0.19 2.52 0.61 0.41 0.00 0.00 173.24 176.43 2cry n GLY 7 N 5.39 3.27 3.66 3.44 0.00 -1.26 -4.92 105.19 114.76 2cry n GLY 7 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2cry n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 8 N -0.61 3.70 0.05 2.61 2.01 -1.26 -4.95 115.64 117.18 2cry s THR 8 Ca 0.32 0.84 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 2cry s THR 8 Cb 0.19 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.09 2cry s THR 8 CO -0.03 -0.08 1.43 -0.76 -0.69 0.00 0.00 174.62 174.49 2cry s LEU 9 N 3.99 4.34 -0.27 4.42 1.02 -1.26 -4.98 118.68 125.95 2cry s LEU 9 Ca 0.70 2.24 -0.27 0.00 0.02 0.00 0.00 54.13 56.83 2cry s LEU 9 Cb -0.31 -3.57 0.16 0.00 0.02 0.00 0.00 46.19 42.49 2cry s LEU 9 CO 0.27 -0.71 1.24 0.28 0.02 0.00 0.00 176.35 177.45 2cry s THR 10 N 1.95 0.00 -0.07 5.49 -1.32 -1.26 -5.17 115.64 115.26 2cry s THR 10 Ca 0.65 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.10 2cry s THR 10 Cb -0.34 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.69 2cry s THR 10 CO 0.29 0.00 0.15 0.68 -2.21 0.00 0.00 174.62 173.53 2cry s VAL 11 N -0.31 -0.09 0.13 5.08 -7.23 -1.26 -5.16 120.40 111.57 2cry s VAL 11 Ca 0.05 0.21 0.10 0.00 -1.81 0.00 0.00 61.98 60.53 2cry s VAL 11 Cb -0.03 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 2cry s VAL 11 CO -0.09 0.09 -0.24 0.20 -0.31 0.00 0.00 175.10 174.75 2cry s ASN 12 N 1.37 3.52 0.00 4.85 0.02 -1.26 -4.82 114.94 118.62 2cry s ASN 12 Ca -0.07 -0.69 0.00 0.00 -1.02 0.00 0.00 52.86 51.08 2cry s ASN 12 Cb -0.12 -0.33 0.00 0.00 0.02 0.00 0.00 41.25 40.82 2cry s ASN 12 CO -0.06 0.18 0.00 0.61 0.02 0.00 0.00 177.10 177.85 2cry n GLY 13 N 0.83 -0.76 3.69 0.66 0.00 -0.48 -4.99 105.19 104.14 2cry n GLY 13 Ca -0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.85 0.62 0.37 1.61 0.04 -1.26 -4.14 135.00 131.39 2cry s PRO 14 Ca 0.00 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.37 2cry s PRO 14 Cb 0.00 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 2cry s PRO 14 CO 0.00 -2.62 1.20 -1.25 0.04 0.00 0.00 177.00 174.37 2cry s PRO 15 N -4.96 4.19 -0.29 0.56 0.04 -1.26 -4.50 135.00 128.78 2cry s PRO 15 Ca 0.65 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2cry s PRO 15 Cb -0.18 -2.84 0.09 0.00 0.04 0.00 0.00 34.50 31.61 2cry s PRO 15 CO 0.57 -0.23 0.05 0.42 0.04 0.00 0.00 177.00 177.85 2cry s ILE 16 N -1.31 1.25 -0.71 0.56 1.01 -1.26 -4.39 121.20 116.36 2cry s ILE 16 Ca 0.54 -1.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 2cry s ILE 16 Cb -0.33 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.36 2cry s ILE 16 CO 0.43 -0.50 1.08 -0.63 0.00 0.00 0.00 174.94 175.31 2cry s ILE 17 N 1.45 4.16 0.00 2.92 1.01 -1.26 -1.25 121.20 128.23 2cry s ILE 17 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2cry s ILE 17 Cb -0.18 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.52 2cry s ILE 17 CO -0.16 -1.59 0.63 -0.24 0.00 0.00 0.00 174.94 173.57 2cry n SER 18 N 8.16 0.00 -2.74 3.58 2.88 -0.80 -4.81 113.62 119.90 2cry n SER 18 Ca 0.01 0.71 0.01 0.00 -1.33 0.00 0.00 58.87 58.26 2cry n SER 18 Cb 0.47 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 2cry n SER 18 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cry n SER 19 N -1.48 -0.86 -4.80 -3.46 7.64 -1.25 -5.00 113.62 104.40 2cry n SER 19 Ca 0.00 -1.27 -0.24 0.00 1.01 0.00 0.00 58.87 58.37 2cry n SER 19 Cb 0.00 1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 64.51 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cry s THR 20 N -2.11 2.34 -0.11 0.44 -4.23 -1.26 -0.09 115.64 110.63 2cry s THR 20 Ca 0.18 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 2cry s THR 20 Cb -0.01 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 2cry s THR 20 CO 0.01 0.00 -0.02 0.00 -0.54 0.00 0.00 174.62 174.06 2cry n GLN 21 N -1.38 1.57 -2.58 3.99 10.64 -1.16 -4.85 117.38 123.60 2cry n GLN 21 Ca 0.00 0.03 -0.42 0.00 -1.83 0.00 0.00 57.00 54.78 2cry n GLN 21 Cb 0.64 -1.25 -0.02 0.00 -0.86 0.00 0.00 30.24 28.75 2cry n GLN 21 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2cry s THR 22 N -2.24 4.01 -0.11 -0.39 2.01 -1.26 -4.74 115.64 112.92 2cry s THR 22 Ca -0.10 -1.11 -0.14 0.00 0.31 0.00 0.00 61.69 60.66 2cry s THR 22 Cb 0.03 -5.09 -0.27 0.00 0.01 0.00 0.00 72.50 67.19 2cry s THR 22 CO 0.35 -1.95 0.50 -0.61 -0.69 0.00 0.00 174.62 172.23 2cry h GLN 23 N 9.16 0.25 -5.05 4.92 5.75 -1.89 -3.44 115.11 124.80 2cry h GLN 23 Ca 0.26 -0.42 -0.68 0.00 -0.15 0.00 0.00 58.65 57.67 2cry h GLN 23 Cb 0.97 0.16 -0.18 0.00 1.07 0.00 0.00 27.48 29.50 2cry h GLN 23 CO 1.43 1.20 -0.02 -3.38 -2.65 0.00 0.00 178.83 175.40 2cry s HIS 24 N -2.49 3.10 -0.51 3.99 -3.43 -1.25 -3.21 115.29 111.48 2cry s HIS 24 Ca -0.21 -0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 53.55 2cry s HIS 24 Cb 0.05 -3.25 0.10 0.00 -1.43 0.00 0.00 32.58 28.05 2cry s HIS 24 CO 0.76 -0.86 0.47 0.00 -2.00 0.00 0.00 174.74 173.11 2cry s ALA 25 N 2.50 3.58 -0.21 -1.38 0.00 -1.26 -4.87 121.76 120.11 2cry s ALA 25 Ca 0.16 -2.27 -0.32 0.00 0.00 0.00 0.00 51.96 49.53 2cry s ALA 25 Cb -0.17 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2cry s ALA 25 CO 0.15 -1.91 2.12 -0.11 0.00 0.00 0.00 175.76 176.00 2cry n LEU 26 N 5.36 3.02 -0.05 0.00 -0.00 -1.26 -4.81 117.00 119.26 2cry n LEU 26 Ca -0.13 0.50 -0.01 0.00 -0.00 0.00 0.00 56.01 56.37 2cry n LEU 26 Cb 0.42 -1.42 -0.01 0.00 -0.00 0.00 0.00 43.42 42.41 2cry n LEU 26 CO 0.51 -0.49 0.41 1.57 -0.00 0.00 0.00 177.39 179.39 2cry n HIS 27 N 9.66 -0.05 -0.40 1.96 -0.00 -1.26 -0.81 115.22 124.31 2cry n HIS 27 Ca 0.31 0.14 -0.07 0.00 -0.00 0.00 0.00 57.72 58.11 2cry n HIS 27 Cb 0.34 -0.43 -0.04 0.00 -0.00 0.00 0.00 29.99 29.86 2cry n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2cry n GLY 28 N -1.03 -2.37 3.78 1.57 0.00 -1.26 -4.41 105.19 101.47 2cry n GLY 28 Ca 0.00 1.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.86 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 -5.69 2.56 -0.04 1.61 2.02 0.01 -4.90 118.70 114.26 2cry s GLU 29 Ca -0.13 1.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.79 2cry s GLU 29 Cb 0.15 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.39 2cry s GLU 29 CO 0.66 -1.41 1.63 0.15 0.02 0.00 0.00 175.26 176.31 2cry s LYS 30 N -4.59 4.19 -0.41 1.61 1.02 -1.26 -4.63 119.74 115.67 2cry s LYS 30 Ca 0.63 2.18 -0.27 0.00 0.02 0.00 0.00 55.97 58.53 2cry s LYS 30 Cb -0.18 -3.93 -0.06 0.00 -0.52 0.00 0.00 37.83 33.14 2cry s LYS 30 CO 0.50 -0.82 2.32 0.20 -0.92 0.00 0.00 175.35 176.62 2cry s GLY 31 N 3.17 -0.11 -0.12 -3.33 0.00 -1.11 -4.55 107.32 101.28 2cry s GLY 31 Ca 0.73 0.23 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 2cry s GLY 31 CO 0.29 4.00 0.10 1.62 0.00 0.00 0.00 173.10 179.11 2cry s GLN 32 N 7.59 3.36 -0.34 2.90 0.74 -1.25 -1.22 119.66 131.43 2cry s GLN 32 Ca 0.97 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 56.17 2cry s GLN 32 Cb -0.22 -3.10 0.11 0.00 1.10 0.00 0.00 33.01 30.91 2cry s GLN 32 CO 0.29 0.73 0.12 0.42 -0.55 0.00 0.00 175.29 176.30 2cry s ILE 33 N -0.90 1.18 -0.36 -2.34 1.01 -0.34 -4.73 121.20 114.71 2cry s ILE 33 Ca 0.14 -1.80 -0.24 0.00 0.00 0.00 0.00 60.65 58.75 2cry s ILE 33 Cb -0.12 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.49 2cry s ILE 33 CO 0.03 -0.72 0.84 -0.75 0.00 0.00 0.00 174.94 174.35 2cry s LYS 34 N 1.22 3.81 -0.22 2.79 2.20 -1.26 -1.96 119.74 126.33 2cry s LYS 34 Ca 0.12 0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 56.04 2cry s LYS 34 Cb -0.19 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2cry s LYS 34 CO -0.17 -0.88 0.28 0.00 -0.36 0.00 0.00 175.35 174.22 2cry s PHE 36 N 1.11 2.64 -0.37 0.00 0.40 0.88 -2.23 117.98 120.41 2cry s PHE 36 Ca 0.13 -0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 2cry s PHE 36 Cb -0.14 -4.48 -0.00 0.00 0.51 0.00 0.00 43.02 38.91 2cry s PHE 36 CO 0.06 -1.79 0.38 0.42 0.70 0.00 0.00 175.22 174.99 2cry s ILE 37 N 4.39 5.15 -0.44 0.64 1.01 -0.44 -1.90 121.20 129.59 2cry s ILE 37 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 2cry s ILE 37 Cb -0.08 -3.89 0.30 0.00 0.01 0.00 0.00 42.46 38.80 2cry s ILE 37 CO 0.02 -0.19 2.03 0.54 0.00 0.00 0.00 174.94 177.33 2cry n ARG 38 N 5.44 2.12 -2.53 2.79 3.00 -0.38 -0.24 116.66 126.86 2cry n ARG 38 Ca -0.09 -2.18 -0.40 0.00 -0.01 0.00 0.00 57.85 55.17 2cry n ARG 38 Cb 0.49 -1.86 -0.05 0.00 0.00 0.00 0.00 32.46 31.04 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cry s SER 39 N -0.53 7.34 -0.29 0.55 0.15 -1.26 -4.45 113.70 115.21 2cry s SER 39 Ca 0.43 2.21 0.02 0.00 0.70 0.00 0.00 55.95 59.31 2cry s SER 39 Cb 0.34 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 62.21 2cry s SER 39 CO -0.01 -0.08 0.54 -0.89 1.20 0.00 0.00 173.24 174.00 2cry s THR 40 N -1.15 -0.90 1.01 6.45 2.01 -1.26 -3.76 115.64 118.03 2cry s THR 40 Ca 0.44 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 2cry s THR 40 Cb -0.31 -0.98 0.19 0.00 0.01 0.00 0.00 72.50 71.42 2cry s THR 40 CO 0.39 -0.05 1.09 -2.16 -0.69 0.00 0.00 174.62 173.20 2cry s PRO 41 N 2.77 0.37 0.78 4.92 0.04 -1.26 -1.38 135.00 141.24 2cry s PRO 41 Ca 0.14 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2cry s PRO 41 Cb -0.13 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.74 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 2.21 0.62 0.56 0.04 -1.25 -4.73 135.00 127.48 2cry s PRO 42 Ca 0.65 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 2cry s PRO 42 Cb -0.19 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2cry s PRO 42 CO 0.58 -1.67 1.12 -1.25 0.04 0.00 0.00 177.00 175.81 2cry s PRO 43 N -4.91 2.98 -0.01 0.56 0.04 -1.26 -4.87 135.00 127.53 2cry s PRO 43 Ca 0.61 1.46 0.13 0.00 0.04 0.00 0.00 61.00 63.25 2cry s PRO 43 Cb -0.17 -1.97 -0.21 0.00 0.04 0.00 0.00 34.50 32.19 2cry s PRO 43 CO 0.56 -1.12 0.73 -0.44 0.04 0.00 0.00 177.00 176.77 2cry h ASP 44 N 0.40 0.00 -4.63 6.66 3.32 -1.09 -3.48 116.42 117.60 2cry h ASP 44 Ca -0.48 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.30 2cry h ASP 44 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 2cry h ASP 44 CO 0.55 0.92 -0.73 -0.60 -1.72 0.00 0.00 179.24 177.65 2cry s ARG 45 N -2.67 0.47 -0.04 3.56 3.52 -1.02 -5.01 118.95 117.76 2cry s ARG 45 Ca -0.04 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 2cry s ARG 45 Cb 0.08 -0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2cry s ARG 45 CO 0.82 0.05 0.23 0.42 -0.81 0.00 0.00 175.30 176.00 2cry s ILE 46 N -1.16 0.04 0.03 4.11 1.01 -1.26 -0.29 121.20 123.68 2cry s ILE 46 Ca -0.09 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2cry s ILE 46 Cb -0.09 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2cry s ILE 46 CO 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 174.94 174.68 2cry s ALA 47 N -0.78 0.49 -0.41 9.38 0.00 0.34 -4.50 121.76 126.27 2cry s ALA 47 Ca -0.09 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2cry s ALA 47 Cb -0.05 0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.20 2cry s ALA 47 CO 0.02 0.00 0.13 -1.58 0.00 0.00 0.00 175.76 174.33 2cry s TRP 48 N -1.03 3.49 -0.04 0.00 0.52 0.11 -1.42 118.94 120.56 2cry s TRP 48 Ca -0.07 -3.05 0.06 0.00 0.02 0.00 0.00 56.10 53.06 2cry s TRP 48 Cb -0.08 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.38 2cry s TRP 48 CO 0.00 -0.86 -0.22 -1.54 0.02 0.00 0.00 176.95 174.34 2cry s SER 49 N 0.44 2.70 0.00 2.95 1.04 -1.05 -1.44 113.70 118.34 2cry s SER 49 Ca 0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2cry s SER 49 Cb -0.22 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.30 2cry s SER 49 CO -0.05 0.23 0.00 -2.67 0.98 0.00 0.00 173.24 171.73 2cry n TRP 50 N 2.86 0.00 0.00 5.02 2.14 -1.16 -2.58 117.44 123.72 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 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 2cry n TRP 50 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2cry n LYS 51 N -2.30 0.00 0.00 -2.67 4.76 -1.26 -4.79 118.16 111.90 2cry n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cry n LYS 51 Cb 0.00 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cry n GLU 52 N -1.98 1.57 -2.67 1.97 1.02 -1.26 -5.04 120.64 114.24 2cry n GLU 52 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2cry n GLU 52 Cb 0.00 -0.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.82 7.54 -0.16 1.62 0.01 -1.26 -5.05 114.94 115.82 2cry s ASN 53 Ca 0.00 2.04 -0.02 0.00 -0.71 0.00 0.00 52.86 54.17 2cry s ASN 53 Cb 0.00 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.10 2cry s ASN 53 CO 0.00 0.07 0.01 -0.69 -1.51 0.00 0.00 177.10 174.98 2cry s VAL 54 N -1.14 0.60 -0.36 1.60 1.01 -1.26 -3.00 120.40 117.85 2cry s VAL 54 Ca 0.42 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2cry s VAL 54 Cb -0.28 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2cry s VAL 54 CO 0.34 -0.04 0.17 -0.22 0.00 0.00 0.00 175.10 175.35 2cry s LEU 55 N 1.84 4.57 -0.07 3.92 2.96 -0.52 -4.89 118.68 126.49 2cry s LEU 55 Ca 0.01 -1.05 -0.26 0.00 -0.22 0.00 0.00 54.13 52.61 2cry s LEU 55 Cb -0.16 -1.96 -0.24 0.00 0.50 0.00 0.00 46.19 44.33 2cry s LEU 55 CO -0.07 -0.36 1.00 -0.33 -1.32 0.00 0.00 176.35 175.26 2cry h GLU 56 N 8.35 0.11 -1.88 1.98 5.08 -1.87 0.30 114.58 126.66 2cry h GLU 56 Ca -0.25 -0.12 0.19 0.00 -1.00 0.00 0.00 59.36 58.19 2cry h GLU 56 Cb 1.10 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 2cry h GLU 56 CO 0.64 0.88 0.65 0.45 -1.00 0.00 0.00 179.01 180.64 2cry s SER 57 N -6.21 -0.24 0.00 1.42 0.15 -1.26 -4.50 113.70 103.07 2cry s SER 57 Ca -0.17 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2cry s SER 57 Cb 0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2cry s SER 57 CO 0.72 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2cry n GLY 58 N -0.20 -2.69 3.39 9.45 0.00 -1.25 -4.84 105.19 109.05 2cry n GLY 58 Ca -0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.69 4.64 -0.03 2.61 2.01 -1.26 -3.01 115.64 119.91 2cry s THR 59 Ca 0.00 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 2cry s THR 59 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2cry s THR 59 CO 0.00 -0.20 0.31 0.77 -0.69 0.00 0.00 174.62 174.81 2cry h SER 60 N 8.44 -0.13 0.00 3.53 4.64 -1.88 -3.49 113.55 124.66 2cry h SER 60 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2cry h SER 60 Cb 1.11 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2cry h SER 60 CO 0.67 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2cry n GLY 61 N 1.11 -1.09 0.08 -0.77 0.00 -1.26 -4.96 105.19 98.30 2cry n GLY 61 Ca -0.02 0.19 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.39 -0.67 -4.40 1.61 5.12 -1.26 -4.92 116.66 108.74 2cry n ARG 62 Ca 0.00 -0.62 -0.28 0.00 -1.93 0.00 0.00 57.85 55.02 2cry n ARG 62 Cb 0.00 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.19 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2cry s TYR 63 N -0.17 2.19 -0.30 -1.55 2.02 -1.26 0.18 117.35 118.45 2cry s TYR 63 Ca 0.02 -0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 2cry s TYR 63 Cb 0.02 -1.80 0.19 0.00 -0.40 0.00 0.00 41.96 39.97 2cry s TYR 63 CO 0.03 0.15 0.72 0.99 -1.57 0.00 0.00 175.55 175.86 2cry s THR 64 N -2.74 -0.82 0.10 -0.71 2.01 -0.47 -3.69 115.64 109.32 2cry s THR 64 Ca 0.27 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2cry s THR 64 Cb 0.03 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 2cry s THR 64 CO 0.15 0.00 0.59 -0.69 -0.69 0.00 0.00 174.62 173.98 2cry s VAL 65 N 2.88 4.71 -0.22 3.82 1.01 -1.16 -0.86 120.40 130.58 2cry s VAL 65 Ca 0.15 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 2cry s VAL 65 Cb -0.12 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.45 2cry s VAL 65 CO -0.20 0.48 0.51 -1.61 0.00 0.00 0.00 175.10 174.28 2cry s GLU 66 N -1.32 0.47 -0.13 2.72 2.02 -0.45 -3.82 118.70 118.20 2cry s GLU 66 Ca 0.32 1.07 -0.05 0.00 0.02 0.00 0.00 54.97 56.33 2cry s GLU 66 Cb -0.19 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 2cry s GLU 66 CO 0.20 -0.19 0.04 0.99 0.02 0.00 0.00 175.26 176.32 2cry s THR 67 N 2.07 4.64 0.42 3.63 2.01 -1.26 -0.13 115.64 127.02 2cry s THR 67 Ca -0.07 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2cry s THR 67 Cb -0.09 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2cry s THR 67 CO -0.15 0.56 0.15 -0.63 -0.69 0.00 0.00 174.62 173.85 2cry s ILE 68 N -0.43 2.15 -0.14 1.82 -1.09 0.81 -4.97 121.20 119.35 2cry s ILE 68 Ca 0.09 -1.77 0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2cry s ILE 68 Cb -0.12 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 2cry s ILE 68 CO 0.02 0.00 -0.20 -0.94 -1.23 0.00 0.00 174.94 172.59 2cry s SER 69 N -3.88 2.98 0.34 3.58 1.04 -1.26 -2.32 113.70 114.17 2cry s SER 69 Ca 0.38 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 56.32 2cry s SER 69 Cb 0.05 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 2cry s SER 69 CO 0.20 0.05 0.09 0.42 0.98 0.00 0.00 173.24 174.99 2cry s THR 70 N 0.92 2.83 -0.02 2.02 -4.23 0.45 -4.95 115.64 112.67 2cry s THR 70 Ca -0.05 -1.81 0.32 0.00 -1.18 0.00 0.00 61.69 58.97 2cry s THR 70 Cb -0.15 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.15 2cry s THR 70 CO -0.03 -0.18 1.93 1.05 -0.54 0.00 0.00 174.62 176.85 2cry h GLU 71 N 1.65 0.00 0.00 3.99 4.11 -2.00 -2.66 114.58 119.67 2cry h GLU 71 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2cry h GLU 71 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2cry h GLU 71 CO 0.65 0.00 -1.13 -0.85 0.07 0.00 0.00 179.01 177.75 2cry n GLU 72 N -2.93 0.84 0.00 1.06 0.28 -1.26 -5.07 120.64 113.57 2cry n GLU 72 Ca 0.01 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2cry n GLU 72 Cb 0.30 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.56 3.41 -1.84 0.00 -1.00 -4.56 105.19 102.07 2cry n GLY 73 Ca 0.02 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.20 1.61 -7.23 0.67 -0.41 120.40 114.84 2cry s VAL 74 Ca 0.00 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2cry s VAL 74 Cb 0.00 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.56 2cry s VAL 74 CO 0.00 0.00 0.42 -0.63 -0.31 0.00 0.00 175.10 174.58 2cry s ILE 75 N -3.66 -0.63 -0.31 -0.62 1.01 -0.98 -1.33 121.20 114.68 2cry s ILE 75 Ca 0.32 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 61.01 2cry s ILE 75 Cb 0.02 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 2cry s ILE 75 CO 0.16 0.07 0.27 -0.55 0.00 0.00 0.00 174.94 174.89 2cry s SER 76 N 2.57 6.10 -0.16 3.58 0.15 -0.95 -0.13 113.70 124.87 2cry s SER 76 Ca -0.02 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 2cry s SER 76 Cb -0.12 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2cry s SER 76 CO -0.13 -0.18 -0.05 -0.89 1.20 0.00 0.00 173.24 173.19 2cry s THR 77 N 1.86 3.68 -0.25 6.45 2.01 0.81 -0.30 115.64 129.91 2cry s THR 77 Ca 0.09 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2cry s THR 77 Cb -0.16 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2cry s THR 77 CO 0.11 0.48 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.24 2cry s LEU 78 N 0.59 3.26 0.36 4.42 2.96 -0.83 -1.34 118.68 128.10 2cry s LEU 78 Ca -0.03 -0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 52.89 2cry s LEU 78 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2cry s LEU 78 CO 0.03 -0.14 0.60 -0.89 -1.32 0.00 0.00 176.35 174.63 2cry s THR 79 N 1.30 5.04 -0.30 3.68 2.01 -0.04 -1.20 115.64 126.12 2cry s THR 79 Ca -0.01 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2cry s THR 79 Cb -0.17 -3.82 0.10 0.00 0.01 0.00 0.00 72.50 68.61 2cry s THR 79 CO -0.04 -0.55 0.10 -0.63 -0.69 0.00 0.00 174.62 172.81 2cry s ILE 80 N -2.34 0.66 0.00 1.82 1.01 -0.36 -1.36 121.20 120.63 2cry s ILE 80 Ca 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2cry s ILE 80 Cb -0.10 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2cry s ILE 80 CO 0.36 -0.68 0.55 -1.20 0.00 0.00 0.00 174.94 173.97 2cry n SER 81 N 4.94 0.00 -3.96 3.58 7.64 0.48 -2.74 113.62 123.56 2cry n SER 81 Ca -0.03 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.10 2cry n SER 81 Cb 0.42 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.30 2cry n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2cry s ASN 82 N -2.60 4.40 0.52 6.43 0.01 -1.26 -4.45 114.94 117.99 2cry s ASN 82 Ca 0.00 -3.05 -0.20 0.00 -0.71 0.00 0.00 52.86 48.90 2cry s ASN 82 Cb 0.00 -1.66 -0.07 0.00 0.41 0.00 0.00 41.25 39.94 2cry s ASN 82 CO 0.00 -0.23 1.11 -0.51 -1.51 0.00 0.00 177.10 175.96 2cry s ILE 83 N -0.35 3.29 0.12 0.60 2.07 -1.23 -5.06 121.20 120.64 2cry s ILE 83 Ca 0.17 0.82 0.03 0.00 -1.41 0.00 0.00 60.65 60.27 2cry s ILE 83 Cb -0.25 -3.34 -0.04 0.00 0.13 0.00 0.00 42.46 38.97 2cry s ILE 83 CO -0.01 -0.16 -0.09 0.68 -1.91 0.00 0.00 174.94 173.45 2cry s VAL 84 N -1.79 0.95 0.46 4.00 -7.23 -1.26 -4.87 120.40 110.66 2cry s VAL 84 Ca 0.71 -1.88 0.33 0.00 -1.81 0.00 0.00 61.98 59.32 2cry s VAL 84 Cb -0.23 -1.63 0.52 0.00 0.56 0.00 0.00 36.38 35.60 2cry s VAL 84 CO 0.26 -0.72 1.64 0.03 -0.31 0.00 0.00 175.10 175.99 2cry h ARG 85 N 3.10 0.08 -0.59 4.82 3.08 -2.00 0.72 114.38 123.59 2cry h ARG 85 Ca -0.36 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.71 2cry h ARG 85 Cb 1.18 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 2cry h ARG 85 CO 0.60 0.05 0.35 0.00 -1.07 0.00 0.00 179.97 179.91 2cry h ALA 86 N 1.51 0.76 -1.27 0.04 0.00 -2.00 -1.66 119.26 116.64 2cry h ALA 86 Ca 0.81 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 56.08 2cry h ALA 86 Cb 2.66 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 20.22 2cry h ALA 86 CO -0.33 0.07 0.88 -0.44 0.00 0.00 0.00 179.25 179.43 2cry h ASP 87 N 0.69 0.13 -0.10 0.00 5.19 0.13 0.39 116.42 122.85 2cry h ASP 87 Ca 0.24 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.57 2cry h ASP 87 Cb 0.05 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2cry h ASP 87 CO -0.11 -0.00 -0.41 -0.26 -3.12 0.00 0.00 179.24 175.33 2cry h PHE 88 N 0.10 0.60 0.00 4.55 0.04 -1.37 -3.15 116.94 117.71 2cry h PHE 88 Ca 0.65 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 61.12 2cry h PHE 88 Cb 2.32 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 40.37 2cry h PHE 88 CO -0.00 1.01 -0.20 1.96 -0.60 0.00 0.00 178.31 180.48 2cry h GLN 89 N 0.02 0.00 -6.13 1.51 1.08 -0.27 -3.41 115.11 107.91 2cry h GLN 89 Ca -0.02 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.62 2cry h GLN 89 Cb 1.05 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.44 2cry h GLN 89 CO 0.09 0.20 0.13 0.99 -0.95 0.00 0.00 178.83 179.29 2cry s THR 90 N -4.08 4.96 0.16 -0.54 2.01 -0.04 -5.04 115.64 113.07 2cry s THR 90 Ca -0.02 1.55 -0.27 0.00 0.31 0.00 0.00 61.69 63.26 2cry s THR 90 Cb 0.13 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 2cry s THR 90 CO 0.63 0.27 0.85 -0.63 -0.69 0.00 0.00 174.62 175.05 2cry s ILE 91 N 0.63 4.37 0.07 1.82 1.09 -1.26 -4.56 121.20 123.36 2cry s ILE 91 Ca 0.39 1.87 0.03 0.00 -1.10 0.00 0.00 60.65 61.85 2cry s ILE 91 Cb -0.19 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 36.95 2cry s ILE 91 CO 0.20 0.45 0.05 -0.31 -0.10 0.00 0.00 174.94 175.23 2cry s TYR 92 N -0.77 3.12 -0.04 3.97 2.02 -1.02 -4.23 117.35 120.39 2cry s TYR 92 Ca 0.40 0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 57.10 2cry s TYR 92 Cb -0.24 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 2cry s TYR 92 CO 0.28 0.50 0.12 -0.80 -1.57 0.00 0.00 175.55 174.09 2cry s ASN 93 N -2.26 -0.12 -0.24 2.29 0.01 -1.06 -0.33 114.94 113.23 2cry s ASN 93 Ca 0.27 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.66 2cry s ASN 93 Cb -0.12 0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.84 2cry s ASN 93 CO 0.19 -0.06 -0.12 0.00 -1.51 0.00 0.00 177.10 175.61 2cry s THR 95 N 1.19 4.01 0.25 0.00 2.01 -0.51 -3.22 115.64 119.37 2cry s THR 95 Ca -0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2cry s THR 95 Cb -0.18 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2cry s THR 95 CO -0.07 0.50 0.02 0.00 -0.69 0.00 0.00 174.62 174.38 2cry s ALA 96 N -0.95 1.91 -0.08 7.40 0.00 -1.13 -0.50 121.76 128.41 2cry s ALA 96 Ca 0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 2cry s ALA 96 Cb -0.11 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.64 2cry s ALA 96 CO 0.05 -0.28 0.16 -1.58 0.00 0.00 0.00 175.76 174.11 2cry s TRP 97 N -3.43 -0.18 0.16 0.00 0.51 0.61 -3.64 118.94 112.97 2cry s TRP 97 Ca 0.31 0.59 0.06 0.00 -2.12 0.00 0.00 56.10 54.94 2cry s TRP 97 Cb 0.06 -0.24 -0.04 0.00 -0.81 0.00 0.00 33.47 32.45 2cry s TRP 97 CO 0.11 -0.25 -0.13 1.21 -0.51 0.00 0.00 176.95 177.37 2cry s ASN 98 N 2.12 2.18 0.63 2.95 2.47 0.25 -0.38 114.94 125.17 2cry s ASN 98 Ca 0.01 -0.95 0.29 0.00 0.42 0.00 0.00 52.86 52.63 2cry s ASN 98 Cb -0.12 -0.08 1.57 0.00 -1.45 0.00 0.00 41.25 41.17 2cry s ASN 98 CO -0.06 -0.20 1.88 0.28 -3.72 0.00 0.00 177.10 175.28 2cry h SER 99 N 2.95 0.00 0.01 -4.21 0.02 -1.95 -1.11 113.55 109.26 2cry h SER 99 Ca -0.38 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.40 2cry h SER 99 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2cry h SER 99 CO 0.58 0.00 -0.89 -0.26 -1.14 0.00 0.00 176.83 175.12 2cry h PHE 100 N 0.00 0.04 0.00 3.45 0.04 -1.95 -3.51 116.94 115.01 2cry h PHE 100 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2cry h PHE 100 Cb 0.63 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2cry h PHE 100 CO 0.00 1.35 0.00 0.41 -0.60 0.00 0.00 178.31 179.47 2cry n GLY 101 N 1.52 1.16 3.26 -1.45 0.00 -0.42 -4.76 105.19 104.51 2cry n GLY 101 Ca -0.25 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2cry n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cry n SER 102 N 0.00 -1.89 -3.61 1.61 3.41 -1.26 -0.58 113.62 111.30 2cry n SER 102 Ca 0.00 -2.25 -0.01 0.00 -0.26 0.00 0.00 58.87 56.35 2cry n SER 102 Cb 0.00 3.13 0.00 0.00 -0.26 0.00 0.00 64.21 67.08 2cry n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cry s ASP 103 N -2.85 -0.06 0.16 4.04 2.15 -1.24 -4.54 116.67 114.33 2cry s ASP 103 Ca 0.15 -0.38 -0.23 0.00 0.43 0.00 0.00 52.55 52.52 2cry s ASP 103 Cb -0.04 0.35 0.07 0.00 -0.30 0.00 0.00 42.92 43.00 2cry s ASP 103 CO 0.09 -0.67 0.62 -0.89 -0.17 0.00 0.00 175.17 174.15 2cry s THR 104 N -2.53 0.00 -0.02 1.71 2.01 -1.26 -2.82 115.64 112.72 2cry s THR 104 Ca 0.18 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 2cry s THR 104 Cb 0.00 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2cry s THR 104 CO 0.01 0.00 0.41 -0.70 -0.69 0.00 0.00 174.62 173.65 2cry s GLU 105 N -3.73 0.78 -0.20 4.92 2.56 -1.20 -4.82 118.70 117.01 2cry s GLU 105 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 54.97 54.84 2cry s GLU 105 Cb -0.01 0.35 -0.03 0.00 2.00 0.00 0.00 34.13 36.44 2cry s GLU 105 CO -0.12 -0.22 0.03 0.42 -0.56 0.00 0.00 175.26 174.81 2cry s ILE 106 N -1.32 4.34 -0.32 -3.70 1.01 -1.26 -2.56 121.20 117.40 2cry s ILE 106 Ca -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2cry s ILE 106 Cb -0.04 -2.97 0.10 0.00 0.01 0.00 0.00 42.46 39.56 2cry s ILE 106 CO 0.06 0.43 0.07 -0.63 0.00 0.00 0.00 174.94 174.87 2cry s ILE 107 N 0.80 1.45 -1.13 2.92 1.09 0.55 -4.99 121.20 121.90 2cry s ILE 107 Ca 0.02 -1.77 -0.19 0.00 -1.10 0.00 0.00 60.65 57.61 2cry s ILE 107 Cb -0.14 -2.07 0.09 0.00 -1.06 0.00 0.00 42.46 39.28 2cry s ILE 107 CO 0.02 -0.63 1.48 -0.13 -0.10 0.00 0.00 174.94 175.59 2cry s ARG 108 N 1.33 3.81 -0.91 2.79 0.52 -1.26 -2.44 118.95 122.79 2cry s ARG 108 Ca 0.10 -1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 53.36 2cry s ARG 108 Cb -0.18 -5.29 -0.25 0.00 0.52 0.00 0.00 34.95 29.75 2cry s ARG 108 CO -0.18 -2.07 2.28 -0.11 0.02 0.00 0.00 175.30 175.25 2cry n LEU 109 N 7.74 -0.08 -4.82 2.53 7.94 -1.26 -4.87 117.00 124.18 2cry n LEU 109 Ca 0.37 -0.85 -0.35 0.00 -1.11 0.00 0.00 56.01 54.07 2cry n LEU 109 Cb 0.48 -0.99 -0.06 0.00 0.53 0.00 0.00 43.42 43.37 2cry n LEU 109 CO 0.66 -1.84 0.50 -0.54 -1.11 0.00 0.00 177.39 175.06 2cry s LYS 110 N 7.84 4.26 0.73 1.96 1.02 -1.20 -4.14 119.74 130.23 2cry s LYS 110 Ca 1.17 0.96 -0.13 0.00 0.02 0.00 0.00 55.97 57.99 2cry s LYS 110 Cb -0.59 -2.66 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2cry s LYS 110 CO 0.38 0.25 1.13 -2.00 -0.92 0.00 0.00 175.35 174.20 2cry s GLU 111 N -2.40 2.30 0.62 1.68 2.12 -1.26 -3.97 118.70 117.79 2cry s GLU 111 Ca 0.50 1.44 0.21 0.00 0.36 0.00 0.00 54.97 57.48 2cry s GLU 111 Cb -0.14 -1.88 1.13 0.00 0.26 0.00 0.00 34.13 33.49 2cry s GLU 111 CO 0.20 -1.65 1.62 -0.56 -0.54 0.00 0.00 175.26 174.33 2cry h GLN 112 N -0.55 0.00 0.00 4.30 3.07 -1.88 -3.46 115.11 116.59 2cry h GLN 112 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 2cry h GLN 112 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2cry h GLN 112 CO 0.51 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.84 2cry n GLY 113 N -1.29 3.58 3.56 0.06 0.00 -1.26 -5.02 105.19 104.81 2cry n GLY 113 Ca -0.01 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 6.47 -0.43 1.61 0.01 -1.26 -4.93 113.70 115.17 2cry s SER 114 Ca 0.00 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 2cry s SER 114 Cb 0.00 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.84 2cry s SER 114 CO 0.00 -1.08 2.78 -1.84 0.41 0.00 0.00 173.24 173.52 2cry n GLU 115 N 7.20 2.36 -3.61 12.44 0.28 -1.26 -4.84 120.64 133.20 2cry n GLU 115 Ca 0.05 -2.25 -0.07 0.00 -0.16 0.00 0.00 57.16 54.73 2cry n GLU 115 Cb 0.48 -2.12 -0.05 0.00 1.43 0.00 0.00 31.44 31.19 2cry n GLU 115 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2cry s MET 116 N -1.59 0.35 -0.32 3.44 0.00 -1.26 -5.14 119.30 114.79 2cry s MET 116 Ca 0.58 0.16 -0.08 0.00 0.00 0.00 0.00 55.69 56.35 2cry s MET 116 Cb 0.38 0.17 0.01 0.00 0.00 0.00 0.00 34.83 35.39 2cry s MET 116 CO -0.20 -0.10 0.11 -1.12 0.00 0.00 0.00 175.02 173.71 2cry s SER 117 N -0.77 5.31 0.00 1.11 0.01 -1.26 -5.01 113.70 113.09 2cry s SER 117 Ca 0.03 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2cry s SER 117 Cb -0.02 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2cry s SER 117 CO -0.04 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2cry n GLY 118 N 4.89 2.62 3.68 3.44 0.00 -1.26 -5.12 105.19 113.45 2cry n GLY 118 Ca -0.14 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.82 0.50 -0.33 1.61 0.04 -1.26 -5.04 135.00 128.70 2cry s PRO 119 Ca 0.00 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.63 2cry s PRO 119 Cb 0.00 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.89 2cry s PRO 119 CO 0.00 -2.69 0.03 0.45 0.04 0.00 0.00 177.00 174.83 2cry s SER 120 N -3.44 4.74 0.04 6.66 0.15 -1.26 -5.10 113.70 115.49 2cry s SER 120 Ca 0.65 -2.06 0.09 0.00 0.70 0.00 0.00 55.95 55.33 2cry s SER 120 Cb -0.19 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2cry s SER 120 CO 0.58 -0.36 -0.25 -0.94 1.20 0.00 0.00 173.24 173.47 2cry s SER 121 N 0.94 2.99 0.00 5.45 1.04 -1.26 -5.34 113.70 117.52 2cry s SER 121 Ca 0.08 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2cry s SER 121 Cb -0.19 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2cry s SER 121 CO -0.08 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.00