#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry n SER 2 N 0.00 4.01 0.24 1.61 3.41 -1.26 -4.90 113.62 116.72 2cry n SER 2 Ca 0.00 0.96 -0.15 0.00 -0.26 0.00 0.00 58.87 59.42 2cry n SER 2 Cb 0.00 -1.52 -0.08 0.00 -0.26 0.00 0.00 64.21 62.35 2cry n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cry h SER 3 N 9.21 -0.50 -5.00 4.04 4.64 -2.12 -3.49 113.55 120.33 2cry h SER 3 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2cry h SER 3 Cb 1.23 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2cry h SER 3 CO 0.94 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2cry n GLY 4 N -0.76 -1.87 3.69 -0.77 0.00 -1.26 -5.06 105.19 99.15 2cry n GLY 4 Ca -0.11 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.79 4.64 0.07 1.61 0.01 -1.26 -5.06 113.70 112.92 2cry s SER 5 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2cry s SER 5 Cb 0.00 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2cry s SER 5 CO 0.00 -0.11 0.00 -1.20 0.41 0.00 0.00 173.24 172.34 2cry n SER 6 N -1.01 0.37 -4.15 2.44 7.64 -1.26 -5.13 113.62 112.53 2cry n SER 6 Ca -0.05 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 2cry n SER 6 Cb 0.60 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2cry n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cry s GLY 7 N -4.65 1.19 0.91 0.23 0.00 -1.26 -5.16 107.32 98.59 2cry s GLY 7 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 2cry s GLY 7 CO 0.00 -1.21 1.09 -0.51 0.00 0.00 0.00 173.10 172.47 2cry s THR 8 N -4.12 2.59 -0.13 0.90 -4.23 -1.26 -5.00 115.64 104.40 2cry s THR 8 Ca 0.34 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.84 2cry s THR 8 Cb 0.05 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2cry s THR 8 CO 0.10 -0.25 0.57 -0.76 -0.54 0.00 0.00 174.62 173.75 2cry s LEU 9 N -6.35 4.25 0.39 4.79 1.43 -1.26 -5.07 118.68 116.86 2cry s LEU 9 Ca 0.64 0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2cry s LEU 9 Cb -0.19 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2cry s LEU 9 CO 0.58 -0.10 0.72 0.28 0.23 0.00 0.00 176.35 178.05 2cry s THR 10 N 1.02 4.88 0.07 5.49 -1.32 -1.26 -5.10 115.64 119.41 2cry s THR 10 Ca 0.30 0.37 0.01 0.00 -1.21 0.00 0.00 61.69 61.16 2cry s THR 10 Cb -0.16 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 67.03 2cry s THR 10 CO 0.12 -0.54 -0.05 0.68 -2.21 0.00 0.00 174.62 172.62 2cry s VAL 11 N -2.38 0.47 0.01 5.08 -7.23 -1.26 -5.17 120.40 109.93 2cry s VAL 11 Ca 0.48 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2cry s VAL 11 Cb -0.10 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 2cry s VAL 11 CO 0.34 -0.77 0.02 0.54 -0.31 0.00 0.00 175.10 174.92 2cry s ASN 12 N -2.55 0.17 0.00 4.85 2.20 -1.25 -4.53 114.94 113.83 2cry s ASN 12 Ca 0.03 -0.41 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 2cry s ASN 12 Cb 0.01 0.13 0.00 0.00 -2.00 0.00 0.00 41.25 39.40 2cry s ASN 12 CO -0.05 -0.32 0.00 0.61 -2.94 0.00 0.00 177.10 174.40 2cry n GLY 13 N 1.54 -1.38 3.70 0.45 0.00 -1.09 -5.00 105.19 103.42 2cry n GLY 13 Ca -0.24 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.88 0.98 0.47 1.61 0.04 -1.26 -4.37 135.00 130.59 2cry s PRO 14 Ca 0.00 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 2cry s PRO 14 Cb 0.00 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2cry s PRO 14 CO 0.00 -2.41 1.16 -1.25 0.04 0.00 0.00 177.00 174.54 2cry s PRO 15 N -4.94 3.72 -0.14 0.56 0.04 -1.26 -4.58 135.00 128.39 2cry s PRO 15 Ca 0.64 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 2cry s PRO 15 Cb -0.18 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.04 2cry s PRO 15 CO 0.57 -0.58 0.02 0.42 0.04 0.00 0.00 177.00 177.47 2cry s ILE 16 N -1.57 0.47 -1.03 0.56 1.01 -1.26 -4.53 121.20 114.85 2cry s ILE 16 Ca 0.64 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.83 2cry s ILE 16 Cb -0.28 -0.82 0.09 0.00 0.01 0.00 0.00 42.46 41.46 2cry s ILE 16 CO 0.34 0.01 1.37 -0.63 0.00 0.00 0.00 174.94 176.02 2cry s ILE 17 N 1.91 4.27 0.01 2.92 1.01 -1.26 0.52 121.20 130.57 2cry s ILE 17 Ca 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 2cry s ILE 17 Cb -0.15 -4.97 -0.01 0.00 0.01 0.00 0.00 42.46 37.34 2cry s ILE 17 CO -0.07 -1.79 1.06 -1.28 0.00 0.00 0.00 174.94 172.86 2cry h SER 18 N 9.14 -0.20 -5.67 3.58 0.87 0.20 -3.47 113.55 118.00 2cry h SER 18 Ca 0.21 0.03 0.30 0.00 -1.23 0.00 0.00 61.79 61.10 2cry h SER 18 Cb 0.99 0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 62.92 2cry h SER 18 CO 1.32 -0.04 0.78 -0.94 -0.53 0.00 0.00 176.83 177.41 2cry s SER 19 N -2.98 -0.08 0.22 6.23 1.04 -1.21 -4.96 113.70 111.96 2cry s SER 19 Ca -0.01 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.33 2cry s SER 19 Cb 0.01 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 2cry s SER 19 CO 0.06 -0.38 -0.00 0.42 0.98 0.00 0.00 173.24 174.32 2cry s THR 20 N -2.55 3.57 -0.54 2.02 -4.23 -1.26 0.12 115.64 112.77 2cry s THR 20 Ca 0.14 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2cry s THR 20 Cb 0.04 -2.85 0.41 0.00 1.34 0.00 0.00 72.50 71.44 2cry s THR 20 CO -0.03 -0.23 1.44 1.67 -0.54 0.00 0.00 174.62 176.92 2cry n GLN 21 N -0.48 3.22 -1.46 3.99 -0.06 0.64 -4.98 117.38 118.25 2cry n GLN 21 Ca -0.08 -4.10 -0.55 0.00 -2.00 0.00 0.00 57.00 50.27 2cry n GLN 21 Cb 0.57 -2.26 -0.06 0.00 -4.06 0.00 0.00 30.24 24.43 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2cry n THR 22 N -0.56 0.74 -2.13 1.69 -2.24 -1.26 -4.62 114.28 105.90 2cry n THR 22 Ca 0.46 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2cry n THR 22 Cb 0.59 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry n GLN 23 N 1.31 -0.07 -3.15 -0.78 -0.00 -1.21 -5.02 117.38 108.46 2cry n GLN 23 Ca 0.19 -1.33 -0.45 0.00 -0.00 0.00 0.00 57.00 55.41 2cry n GLN 23 Cb 0.14 -0.47 -0.03 0.00 -0.00 0.00 0.00 30.24 29.88 2cry n GLN 23 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 2cry s HIS 24 N -1.86 3.34 -1.29 2.61 0.00 -1.26 -4.84 115.29 111.99 2cry s HIS 24 Ca 0.37 -1.50 -0.18 0.00 -3.00 0.00 0.00 55.06 50.74 2cry s HIS 24 Cb -0.02 -4.01 0.03 0.00 -4.00 0.00 0.00 32.58 24.59 2cry s HIS 24 CO 0.25 -1.22 1.87 0.00 -1.00 0.00 0.00 174.74 174.63 2cry n ALA 25 N 5.43 3.71 -0.52 -1.38 0.00 -1.26 -4.80 120.51 121.69 2cry n ALA 25 Ca 0.09 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.80 2cry n ALA 25 Cb 0.46 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.33 2cry n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cry n LEU 26 N 8.68 0.00 -3.27 0.00 4.32 -1.26 -4.77 117.00 120.69 2cry n LEU 26 Ca 0.49 0.74 0.03 0.00 -0.02 0.00 0.00 56.01 57.25 2cry n LEU 26 Cb 0.44 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2cry n LEU 26 CO 0.80 -0.24 0.58 -2.28 -1.22 0.00 0.00 177.39 175.03 2cry s HIS 27 N -1.97 -0.67 0.00 -1.77 5.65 -1.26 -5.02 115.29 110.25 2cry s HIS 27 Ca 0.00 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.25 2cry s HIS 27 Cb 0.00 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.72 2cry s HIS 27 CO 0.00 -0.35 0.00 0.41 -0.65 0.00 0.00 174.74 174.15 2cry n GLY 28 N 5.18 2.12 2.36 1.59 0.00 -1.26 -5.06 105.19 110.12 2cry n GLY 28 Ca -0.07 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2cry n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cry n GLU 29 N 0.00 0.00 -2.34 1.61 0.00 -1.26 -4.53 120.64 114.12 2cry n GLU 29 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 2cry n GLU 29 Cb 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 31.44 30.70 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2cry s LYS 30 N -0.72 4.16 -0.18 3.44 1.02 -1.26 -4.62 119.74 121.59 2cry s LYS 30 Ca 0.42 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 57.81 2cry s LYS 30 Cb -0.40 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.06 2cry s LYS 30 CO 0.47 -0.81 1.51 0.20 -0.92 0.00 0.00 175.35 175.79 2cry s GLY 31 N 2.42 1.41 -0.05 -3.33 0.00 -0.82 -4.64 107.32 102.32 2cry s GLY 31 Ca 0.59 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 2cry s GLY 31 CO 0.19 2.85 0.12 1.62 0.00 0.00 0.00 173.10 177.87 2cry s GLN 32 N 4.20 3.27 -0.41 2.90 0.74 -1.26 0.04 119.66 129.14 2cry s GLN 32 Ca 0.66 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.76 2cry s GLN 32 Cb -0.25 -3.01 0.13 0.00 1.10 0.00 0.00 33.01 30.98 2cry s GLN 32 CO 0.25 0.70 0.22 0.42 -0.55 0.00 0.00 175.29 176.33 2cry s ILE 33 N -1.14 1.15 -0.12 -2.34 1.01 0.73 -3.29 121.20 117.21 2cry s ILE 33 Ca 0.20 -2.28 -0.25 0.00 0.00 0.00 0.00 60.65 58.32 2cry s ILE 33 Cb -0.12 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2cry s ILE 33 CO 0.11 -0.88 0.79 -0.75 0.00 0.00 0.00 174.94 174.20 2cry s LYS 34 N 0.62 4.37 0.10 2.79 2.20 -1.26 -1.60 119.74 126.96 2cry s LYS 34 Ca 0.17 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.79 2cry s LYS 34 Cb -0.23 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2cry s LYS 34 CO -0.02 -0.15 0.09 0.00 -0.36 0.00 0.00 175.35 174.90 2cry s PHE 36 N -1.46 3.52 -0.45 0.00 0.40 0.33 -3.34 117.98 116.99 2cry s PHE 36 Ca 0.29 -2.30 -0.19 0.00 -0.60 0.00 0.00 56.93 54.14 2cry s PHE 36 Cb -0.12 -3.45 0.03 0.00 0.51 0.00 0.00 43.02 39.99 2cry s PHE 36 CO 0.22 -0.92 0.53 0.42 0.70 0.00 0.00 175.22 176.17 2cry s ILE 37 N 0.35 4.97 -0.36 0.64 1.01 -0.81 0.21 121.20 127.21 2cry s ILE 37 Ca 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2cry s ILE 37 Cb -0.19 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.24 2cry s ILE 37 CO -0.04 -0.56 2.53 0.54 0.00 0.00 0.00 174.94 177.40 2cry n ARG 38 N 5.90 2.12 -2.95 2.79 1.74 0.18 -1.86 116.66 124.59 2cry n ARG 38 Ca -0.06 -1.92 -0.36 0.00 -0.77 0.00 0.00 57.85 54.74 2cry n ARG 38 Cb 0.47 -1.91 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 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 0.41 7.18 -0.30 0.55 0.15 -1.26 -4.42 113.70 116.01 2cry s SER 39 Ca 0.48 1.61 0.02 0.00 0.70 0.00 0.00 55.95 58.76 2cry s SER 39 Cb 0.32 -2.49 0.19 0.00 -1.71 0.00 0.00 66.02 62.33 2cry s SER 39 CO -0.12 -0.03 0.62 -0.89 1.20 0.00 0.00 173.24 174.02 2cry s THR 40 N -1.59 -0.96 1.01 6.45 2.01 -1.26 -3.90 115.64 117.39 2cry s THR 40 Ca 0.47 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.34 2cry s THR 40 Cb -0.17 -0.98 0.20 0.00 0.01 0.00 0.00 72.50 71.55 2cry s THR 40 CO 0.22 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.08 2cry s PRO 41 N 2.85 0.31 0.89 4.92 0.04 -1.26 -2.68 135.00 140.07 2cry s PRO 41 Ca 0.15 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2cry s PRO 41 Cb -0.12 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.82 2cry s PRO 41 CO -0.23 -2.80 1.09 -1.25 0.04 0.00 0.00 177.00 173.85 2cry s PRO 42 N -4.97 1.28 0.94 0.56 0.04 -1.25 -4.76 135.00 126.84 2cry s PRO 42 Ca 0.66 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 2cry s PRO 42 Cb -0.19 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.70 2cry s PRO 42 CO 0.58 -2.23 1.09 -1.25 0.04 0.00 0.00 177.00 175.23 2cry s PRO 43 N -4.94 0.88 -0.06 0.56 0.04 -1.26 -4.90 135.00 125.32 2cry s PRO 43 Ca 0.63 0.69 0.16 0.00 0.04 0.00 0.00 61.00 62.52 2cry s PRO 43 Cb -0.18 -1.78 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 2cry s PRO 43 CO 0.57 -2.46 0.28 -0.25 0.04 0.00 0.00 177.00 175.17 2cry n ASP 44 N -4.02 1.18 -3.92 6.66 8.00 0.83 -4.97 116.55 120.33 2cry n ASP 44 Ca 0.06 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 2cry n ASP 44 Cb 0.56 1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 43.08 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 -2.94 0.46 -0.10 -1.24 3.52 -1.05 -5.02 118.95 112.58 2cry s ARG 45 Ca -0.07 -0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 54.84 2cry s ARG 45 Cb 0.09 0.18 0.04 0.00 -1.56 0.00 0.00 34.95 33.70 2cry s ARG 45 CO 0.68 -0.11 0.39 0.42 -0.81 0.00 0.00 175.30 175.87 2cry s ILE 46 N -1.71 0.02 0.01 4.11 1.01 -1.26 -1.09 121.20 122.29 2cry s ILE 46 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2cry s ILE 46 Cb -0.07 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2cry s ILE 46 CO -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 174.94 174.83 2cry s ALA 47 N -0.40 0.07 -0.58 9.38 0.00 -0.02 -4.46 121.76 125.75 2cry s ALA 47 Ca -0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 2cry s ALA 47 Cb -0.03 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.29 2cry s ALA 47 CO 0.02 -0.06 0.44 -1.58 0.00 0.00 0.00 175.76 174.59 2cry s TRP 48 N -0.57 3.49 -0.10 0.00 0.52 0.92 -1.67 118.94 121.54 2cry s TRP 48 Ca -0.06 -2.19 0.03 0.00 0.02 0.00 0.00 56.10 53.90 2cry s TRP 48 Cb -0.04 -3.45 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 2cry s TRP 48 CO -0.00 -0.95 -0.19 -1.54 0.02 0.00 0.00 176.95 174.29 2cry s SER 49 N 1.93 3.49 0.00 2.95 1.04 -0.83 -1.42 113.70 120.86 2cry s SER 49 Ca 0.11 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2cry s SER 49 Cb -0.21 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2cry s SER 49 CO -0.03 0.18 0.00 -2.67 0.98 0.00 0.00 173.24 171.70 2cry n TRP 50 N 3.38 0.00 0.00 5.02 2.14 -1.23 -2.14 117.44 124.61 2cry n TRP 50 Ca -0.18 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.39 2cry n TRP 50 Cb 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 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 -2.12 0.00 0.00 -2.67 4.76 -1.26 -4.75 118.16 112.13 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 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 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 -2.24 2.08 -1.56 1.97 1.02 -1.26 -5.07 120.64 115.58 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 -0.87 0.05 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.84 5.32 -0.21 1.62 0.01 -1.26 -5.07 114.94 113.51 2cry s ASN 53 Ca 0.00 1.64 -0.06 0.00 -0.71 0.00 0.00 52.86 53.74 2cry s ASN 53 Cb 0.00 -2.50 0.10 0.00 0.41 0.00 0.00 41.25 39.26 2cry s ASN 53 CO 0.00 -1.48 0.41 -0.69 -1.51 0.00 0.00 177.10 173.82 2cry s VAL 54 N -3.01 -0.64 -0.38 1.60 1.01 -1.26 -3.47 120.40 114.26 2cry s VAL 54 Ca 0.59 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2cry s VAL 54 Cb -0.14 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.62 2cry s VAL 54 CO 0.54 0.03 0.15 -0.22 0.00 0.00 0.00 175.10 175.61 2cry s LEU 55 N 2.60 4.81 -0.01 3.92 2.96 -0.51 -4.89 118.68 127.56 2cry s LEU 55 Ca 0.02 -1.66 -0.24 0.00 -0.22 0.00 0.00 54.13 52.03 2cry s LEU 55 Cb -0.13 -1.83 -0.18 0.00 0.50 0.00 0.00 46.19 44.55 2cry s LEU 55 CO -0.13 -0.45 1.17 -0.33 -1.32 0.00 0.00 176.35 175.29 2cry h GLU 56 N 8.12 -0.21 -2.09 1.98 5.08 -1.88 0.26 114.58 125.85 2cry h GLU 56 Ca -0.18 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2cry h GLU 56 Cb 1.06 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 2cry h GLU 56 CO 0.66 0.18 0.57 0.45 -1.00 0.00 0.00 179.01 179.87 2cry s SER 57 N -5.38 -0.30 0.00 1.42 0.15 -1.26 -4.41 113.70 103.93 2cry s SER 57 Ca -0.14 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2cry s SER 57 Cb 0.02 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2cry s SER 57 CO 0.57 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2cry n GLY 58 N -0.23 -1.96 3.28 9.45 0.00 -1.24 -4.84 105.19 109.66 2cry n GLY 58 Ca -0.07 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 3.50 -0.05 2.61 2.01 -1.26 -2.80 115.64 119.64 2cry s THR 59 Ca 0.00 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 2cry s THR 59 Cb 0.00 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2cry s THR 59 CO 0.00 0.11 -0.05 -1.28 -0.69 0.00 0.00 174.62 172.71 2cry h SER 60 N 8.14 0.00 0.00 3.53 0.87 -1.88 -3.50 113.55 120.70 2cry h SER 60 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2cry h SER 60 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2cry h SER 60 CO 0.59 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.75 2cry n GLY 61 N 1.75 -0.07 0.65 5.77 0.00 -1.26 -4.95 105.19 107.07 2cry n GLY 61 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.14 2.86 -4.43 1.61 1.74 -1.26 -4.91 116.66 111.13 2cry n ARG 62 Ca 0.00 -2.24 -0.22 0.00 -0.77 0.00 0.00 57.85 54.62 2cry n ARG 62 Cb 0.00 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.56 2.00 -0.26 -1.55 2.02 -1.26 -1.25 117.35 115.49 2cry s TYR 63 Ca 0.27 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2cry s TYR 63 Cb 0.18 -1.05 0.15 0.00 -0.40 0.00 0.00 41.96 40.84 2cry s TYR 63 CO 0.12 0.41 0.44 0.99 -1.57 0.00 0.00 175.55 175.94 2cry s THR 64 N -2.87 -0.72 -0.05 -0.71 2.01 0.14 -3.61 115.64 109.82 2cry s THR 64 Ca 0.28 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 2cry s THR 64 Cb 0.01 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2cry s THR 64 CO 0.12 -0.09 0.44 -0.69 -0.69 0.00 0.00 174.62 173.71 2cry s VAL 65 N 2.64 5.09 -0.18 3.82 1.01 -1.12 -0.14 120.40 131.52 2cry s VAL 65 Ca 0.15 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.97 2cry s VAL 65 Cb -0.15 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.54 2cry s VAL 65 CO -0.17 0.46 0.38 -1.61 0.00 0.00 0.00 175.10 174.15 2cry s GLU 66 N -0.25 0.30 -0.01 2.72 2.02 0.45 -3.65 118.70 120.27 2cry s GLU 66 Ca 0.25 0.92 0.02 0.00 0.02 0.00 0.00 54.97 56.18 2cry s GLU 66 Cb -0.16 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 2cry s GLU 66 CO 0.12 -0.24 -0.05 0.99 0.02 0.00 0.00 175.26 176.11 2cry s THR 67 N 2.30 3.82 0.24 3.63 2.01 -1.26 0.01 115.64 126.39 2cry s THR 67 Ca -0.03 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2cry s THR 67 Cb -0.11 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 2cry s THR 67 CO -0.12 0.43 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.56 2cry s ILE 68 N -0.99 1.34 -0.26 1.82 1.01 0.19 -4.96 121.20 119.36 2cry s ILE 68 Ca 0.17 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 58.69 2cry s ILE 68 Cb -0.11 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2cry s ILE 68 CO 0.07 -0.38 0.00 -0.44 0.00 0.00 0.00 174.94 174.19 2cry s SER 69 N -3.34 4.65 0.36 3.58 0.01 -1.26 -1.21 113.70 116.48 2cry s SER 69 Ca 0.27 -0.65 0.08 0.00 1.31 0.00 0.00 55.95 56.96 2cry s SER 69 Cb 0.04 -1.78 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 2cry s SER 69 CO 0.09 -0.12 0.09 0.42 0.41 0.00 0.00 173.24 174.13 2cry s THR 70 N 1.44 2.62 0.16 1.44 -4.23 0.25 -4.95 115.64 112.37 2cry s THR 70 Ca 0.03 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.49 2cry s THR 70 Cb -0.16 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 70.84 2cry s THR 70 CO -0.01 -0.14 1.61 1.05 -0.54 0.00 0.00 174.62 176.59 2cry h GLU 71 N 1.64 -0.22 -0.97 3.99 4.11 -1.99 -0.49 114.58 120.64 2cry h GLU 71 Ca -0.43 0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.07 2cry h GLU 71 Cb 1.25 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2cry h GLU 71 CO 0.67 -0.15 0.63 0.93 0.07 0.00 0.00 179.01 181.16 2cry h GLU 72 N -0.23 1.12 0.00 1.06 5.08 -1.96 -3.48 114.58 116.18 2cry h GLU 72 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2cry h GLU 72 Cb 0.50 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2cry h GLU 72 CO -0.49 0.74 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 2cry n GLY 73 N -1.36 -1.64 3.44 -3.84 0.00 -0.19 -4.56 105.19 97.05 2cry n GLY 73 Ca 0.14 0.71 -0.11 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.11 1.61 -7.23 -0.78 -0.58 120.40 113.31 2cry s VAL 74 Ca 0.00 -1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 58.48 2cry s VAL 74 Cb 0.00 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.63 2cry s VAL 74 CO 0.00 0.00 0.25 -0.63 -0.31 0.00 0.00 175.10 174.41 2cry s ILE 75 N -3.94 -0.04 -0.44 -0.62 1.01 -0.35 -1.92 121.20 114.90 2cry s ILE 75 Ca 0.29 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2cry s ILE 75 Cb 0.02 -0.39 0.09 0.00 0.01 0.00 0.00 42.46 42.19 2cry s ILE 75 CO 0.12 0.05 0.29 -0.55 0.00 0.00 0.00 174.94 174.85 2cry s SER 76 N 1.16 5.71 -0.15 3.58 0.15 -1.21 -0.64 113.70 122.30 2cry s SER 76 Ca -0.08 -1.58 -0.08 0.00 0.70 0.00 0.00 55.95 54.91 2cry s SER 76 Cb -0.09 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2cry s SER 76 CO -0.08 -0.59 0.13 -0.89 1.20 0.00 0.00 173.24 173.01 2cry s THR 77 N 1.44 5.40 -0.15 6.45 2.01 0.10 -1.86 115.64 129.03 2cry s THR 77 Ca 0.04 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2cry s THR 77 Cb -0.24 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2cry s THR 77 CO 0.02 0.54 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 2cry s LEU 78 N -0.43 1.68 -0.06 4.42 2.96 -0.63 -0.41 118.68 126.22 2cry s LEU 78 Ca 0.12 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2cry s LEU 78 Cb -0.12 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 2cry s LEU 78 CO 0.01 -0.06 0.15 -0.89 -1.32 0.00 0.00 176.35 174.25 2cry s THR 79 N 1.49 5.37 -0.32 3.68 2.01 0.80 -0.19 115.64 128.47 2cry s THR 79 Ca 0.05 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2cry s THR 79 Cb -0.13 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.05 2cry s THR 79 CO -0.11 0.46 0.03 -0.63 -0.69 0.00 0.00 174.62 173.68 2cry s ILE 80 N -1.18 2.13 0.00 1.82 1.01 0.11 0.27 121.20 125.36 2cry s ILE 80 Ca 0.21 -2.15 0.00 0.00 0.00 0.00 0.00 60.65 58.72 2cry s ILE 80 Cb -0.12 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2cry s ILE 80 CO 0.12 -0.52 0.75 -1.20 0.00 0.00 0.00 174.94 174.09 2cry n SER 81 N 4.33 0.00 -4.22 3.58 7.64 -0.38 -1.94 113.62 122.63 2cry n SER 81 Ca 0.01 0.75 -0.41 0.00 1.01 0.00 0.00 58.87 60.23 2cry n SER 81 Cb 0.42 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.91 5.69 0.23 6.43 -0.87 -1.26 -4.04 114.94 118.20 2cry s ASN 82 Ca 0.00 -1.83 -0.15 0.00 -1.57 0.00 0.00 52.86 49.30 2cry s ASN 82 Cb 0.00 -2.00 -0.08 0.00 -0.02 0.00 0.00 41.25 39.15 2cry s ASN 82 CO 0.00 -0.66 0.65 -0.51 -2.57 0.00 0.00 177.10 174.01 2cry s ILE 83 N 1.37 4.73 0.10 0.60 2.07 -1.25 -5.01 121.20 123.80 2cry s ILE 83 Ca 0.05 0.95 0.03 0.00 -1.41 0.00 0.00 60.65 60.27 2cry s ILE 83 Cb -0.26 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.58 2cry s ILE 83 CO -0.00 0.07 -0.09 0.68 -1.91 0.00 0.00 174.94 173.69 2cry s VAL 84 N -1.67 0.87 0.46 4.00 -7.23 -1.26 -4.67 120.40 110.89 2cry s VAL 84 Ca 0.45 -1.67 0.36 0.00 -1.81 0.00 0.00 61.98 59.31 2cry s VAL 84 Cb -0.14 -1.38 0.55 0.00 0.56 0.00 0.00 36.38 35.97 2cry s VAL 84 CO 0.20 -0.62 1.56 0.54 -0.31 0.00 0.00 175.10 176.46 2cry n ARG 85 N 0.48 -0.03 -0.20 4.82 1.74 -1.26 0.15 116.66 122.36 2cry n ARG 85 Ca -0.16 1.22 -0.05 0.00 -0.77 0.00 0.00 57.85 58.09 2cry n ARG 85 Cb 0.58 -2.47 0.05 0.00 -1.02 0.00 0.00 32.46 29.60 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 1.48 0.75 -1.38 7.54 0.00 -2.00 -1.77 119.26 123.89 2cry h ALA 86 Ca 0.89 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 56.18 2cry h ALA 86 Cb 3.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 20.55 2cry h ALA 86 CO -0.38 0.11 0.99 -0.44 0.00 0.00 0.00 179.25 179.52 2cry h ASP 87 N 0.73 0.02 0.00 0.00 5.19 0.10 0.44 116.42 122.90 2cry h ASP 87 Ca 0.23 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.53 2cry h ASP 87 Cb -0.01 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 2cry h ASP 87 CO -0.09 -0.00 -0.45 -0.26 -3.12 0.00 0.00 179.24 175.32 2cry h PHE 88 N 0.02 0.44 -0.03 4.55 0.04 -1.39 -3.27 116.94 117.29 2cry h PHE 88 Ca 0.66 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 61.10 2cry h PHE 88 Cb 2.62 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 40.70 2cry h PHE 88 CO -0.00 1.06 -0.42 1.96 -0.60 0.00 0.00 178.31 180.31 2cry h GLN 89 N -0.30 0.07 -6.73 1.51 1.08 -0.29 -3.37 115.11 107.08 2cry h GLN 89 Ca -0.06 -0.03 -0.52 0.00 -1.45 0.00 0.00 58.65 56.59 2cry h GLN 89 Cb 1.19 -0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.65 2cry h GLN 89 CO 0.09 0.48 0.60 0.99 -0.95 0.00 0.00 178.83 180.03 2cry s THR 90 N -4.09 3.27 -0.19 -0.54 2.01 0.10 -5.00 115.64 111.21 2cry s THR 90 Ca -0.03 1.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.88 2cry s THR 90 Cb 0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2cry s THR 90 CO 0.74 0.20 0.64 -0.63 -0.69 0.00 0.00 174.62 174.88 2cry s ILE 91 N -0.34 5.02 0.05 1.82 1.09 -1.26 -4.56 121.20 123.01 2cry s ILE 91 Ca 0.52 1.21 -0.02 0.00 -1.10 0.00 0.00 60.65 61.26 2cry s ILE 91 Cb -0.35 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 2cry s ILE 91 CO 0.41 0.12 0.23 -0.31 -0.10 0.00 0.00 174.94 175.29 2cry s TYR 92 N 1.81 3.53 -0.15 3.97 2.02 -0.92 -3.97 117.35 123.63 2cry s TYR 92 Ca 0.30 0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 57.29 2cry s TYR 92 Cb -0.16 -1.84 0.06 0.00 -0.40 0.00 0.00 41.96 39.61 2cry s TYR 92 CO 0.11 0.59 0.35 -0.80 -1.57 0.00 0.00 175.55 174.23 2cry s ASN 93 N -2.24 -0.37 -0.49 2.29 0.01 -0.91 -1.24 114.94 111.99 2cry s ASN 93 Ca 0.33 0.77 -0.12 0.00 -0.71 0.00 0.00 52.86 53.13 2cry s ASN 93 Cb -0.13 0.70 0.12 0.00 0.41 0.00 0.00 41.25 42.35 2cry s ASN 93 CO 0.23 -0.19 0.39 0.00 -1.51 0.00 0.00 177.10 176.02 2cry s THR 95 N 1.45 5.22 0.49 0.00 2.01 -0.67 -3.70 115.64 120.45 2cry s THR 95 Ca 0.05 0.83 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2cry s THR 95 Cb -0.27 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2cry s THR 95 CO 0.01 0.34 0.13 0.00 -0.69 0.00 0.00 174.62 174.41 2cry s ALA 96 N 0.57 3.99 -0.20 7.40 0.00 -0.95 -0.84 121.76 131.73 2cry s ALA 96 Ca 0.23 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2cry s ALA 96 Cb -0.14 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2cry s ALA 96 CO 0.08 -0.16 0.50 -1.58 0.00 0.00 0.00 175.76 174.60 2cry s TRP 97 N -2.79 -0.75 0.05 0.00 0.51 -0.25 -3.34 118.94 112.38 2cry s TRP 97 Ca 0.22 1.55 -0.00 0.00 -2.12 0.00 0.00 56.10 55.75 2cry s TRP 97 Cb 0.02 0.38 -0.03 0.00 -0.81 0.00 0.00 33.47 33.03 2cry s TRP 97 CO 0.12 -0.40 -0.04 1.21 -0.51 0.00 0.00 176.95 177.33 2cry s ASN 98 N 1.51 0.50 0.61 2.95 2.47 0.10 -0.12 114.94 122.97 2cry s ASN 98 Ca -0.10 -0.85 0.26 0.00 0.42 0.00 0.00 52.86 52.60 2cry s ASN 98 Cb -0.07 0.16 1.20 0.00 -1.45 0.00 0.00 41.25 41.08 2cry s ASN 98 CO -0.15 -0.49 1.63 -1.28 -3.72 0.00 0.00 177.10 173.09 2cry h SER 99 N 3.59 0.00 0.00 -4.21 0.87 -1.97 -0.99 113.55 110.84 2cry h SER 99 Ca -0.34 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2cry h SER 99 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2cry h SER 99 CO 0.58 0.00 -0.08 -0.26 -0.53 0.00 0.00 176.83 176.54 2cry h PHE 100 N 0.00 0.00 0.00 2.24 -1.00 -1.95 -3.51 116.94 112.72 2cry h PHE 100 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2cry h PHE 100 Cb 1.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.33 2cry h PHE 100 CO 0.00 0.13 0.00 0.41 -1.61 0.00 0.00 178.31 177.24 2cry n GLY 101 N 1.74 2.39 2.47 -1.45 0.00 -0.38 -4.89 105.19 105.08 2cry n GLY 101 Ca -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.31 -3.66 1.61 3.41 -1.26 -0.72 113.62 111.70 2cry n SER 102 Ca 0.00 -2.19 -0.10 0.00 -0.26 0.00 0.00 58.87 56.32 2cry n SER 102 Cb 0.00 2.26 -0.03 0.00 -0.26 0.00 0.00 64.21 66.18 2cry n SER 102 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2cry s ASP 103 N -2.46 -0.36 -0.30 4.04 -4.77 -1.21 -4.45 116.67 107.16 2cry s ASP 103 Ca 0.15 -0.34 -0.13 0.00 -3.30 0.00 0.00 52.55 48.92 2cry s ASP 103 Cb -0.02 0.62 0.15 0.00 -1.09 0.00 0.00 42.92 42.57 2cry s ASP 103 CO 0.11 -1.09 0.85 -0.89 0.70 0.00 0.00 175.17 174.85 2cry s THR 104 N -3.84 -0.67 0.18 2.11 2.01 -1.26 -2.23 115.64 111.94 2cry s THR 104 Ca 0.07 0.00 0.11 0.00 0.31 0.00 0.00 61.69 62.17 2cry s THR 104 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2cry s THR 104 CO -0.04 0.00 -0.23 -0.70 -0.69 0.00 0.00 174.62 172.96 2cry s GLU 105 N 2.58 1.45 -0.07 4.92 2.56 -1.24 -4.98 118.70 123.92 2cry s GLU 105 Ca -0.04 -1.48 -0.01 0.00 0.00 0.00 0.00 54.97 53.43 2cry s GLU 105 Cb -0.08 -1.73 -0.03 0.00 2.00 0.00 0.00 34.13 34.28 2cry s GLU 105 CO -0.18 0.37 -0.00 0.42 -0.56 0.00 0.00 175.26 175.31 2cry s ILE 106 N -1.70 4.25 -0.19 -3.70 1.01 -1.26 -2.98 121.20 116.63 2cry s ILE 106 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2cry s ILE 106 Cb -0.08 -2.81 0.09 0.00 0.01 0.00 0.00 42.46 39.67 2cry s ILE 106 CO 0.09 0.55 0.25 -0.63 0.00 0.00 0.00 174.94 175.20 2cry s ILE 107 N -0.93 -0.38 -0.73 2.92 1.09 -0.38 -4.99 121.20 117.81 2cry s ILE 107 Ca 0.15 -0.00 -0.13 0.00 -1.10 0.00 0.00 60.65 59.57 2cry s ILE 107 Cb -0.11 -0.63 0.19 0.00 -1.06 0.00 0.00 42.46 40.85 2cry s ILE 107 CO 0.04 -0.11 0.65 -0.13 -0.10 0.00 0.00 174.94 175.29 2cry s ARG 108 N 2.37 3.30 0.35 2.79 3.00 -1.26 -2.17 118.95 127.32 2cry s ARG 108 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 55.73 53.24 2cry s ARG 108 Cb -0.15 -4.29 -0.13 0.00 0.00 0.00 0.00 34.95 30.39 2cry s ARG 108 CO -0.11 -1.28 1.02 -0.11 0.00 0.00 0.00 175.30 174.82 2cry n LEU 109 N 4.22 2.21 -4.05 2.53 7.94 -1.26 -5.00 117.00 123.58 2cry n LEU 109 Ca 0.06 1.12 -0.09 0.00 -1.11 0.00 0.00 56.01 56.00 2cry n LEU 109 Cb 0.44 -1.33 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 2cry n LEU 109 CO 0.38 -1.38 -0.37 -0.54 -1.11 0.00 0.00 177.39 174.37 2cry s LYS 110 N -1.75 0.50 0.82 1.96 -0.14 -1.26 -4.35 119.74 115.52 2cry s LYS 110 Ca 0.60 -0.93 -0.13 0.00 -1.36 0.00 0.00 55.97 54.14 2cry s LYS 110 Cb -0.63 0.07 0.09 0.00 -1.68 0.00 0.00 37.83 35.68 2cry s LYS 110 CO 0.59 -0.06 1.20 -2.00 -0.76 0.00 0.00 175.35 174.32 2cry s GLU 111 N -2.66 1.57 -0.01 1.68 2.12 -1.26 -4.55 118.70 115.60 2cry s GLU 111 Ca -0.04 1.74 -0.40 0.00 0.36 0.00 0.00 54.97 56.64 2cry s GLU 111 Cb -0.02 -1.77 -0.19 0.00 0.26 0.00 0.00 34.13 32.41 2cry s GLU 111 CO -0.05 -2.26 1.18 0.94 -0.54 0.00 0.00 175.26 174.53 2cry n GLN 112 N -3.39 0.31 0.00 4.30 7.27 -1.26 -4.61 117.38 120.00 2cry n GLN 112 Ca 0.13 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2cry n GLN 112 Cb 0.51 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2cry n GLY 113 N 1.93 -0.05 2.65 1.69 0.00 -1.26 -4.98 105.19 105.16 2cry n GLY 113 Ca 0.20 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 2cry n GLY 113 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 114 N -1.25 1.90 0.04 1.61 0.15 -1.26 -5.00 113.70 109.88 2cry s SER 114 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2cry s SER 114 Cb 0.00 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 2cry s SER 114 CO 0.00 -0.32 -0.04 -0.70 1.20 0.00 0.00 173.24 173.37 2cry s GLU 115 N 2.18 0.46 -0.44 5.44 2.12 -1.26 -5.13 118.70 122.07 2cry s GLU 115 Ca 0.03 -0.82 -0.15 0.00 0.36 0.00 0.00 54.97 54.39 2cry s GLU 115 Cb -0.15 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.30 2cry s GLU 115 CO -0.08 -0.04 0.35 -1.64 -0.54 0.00 0.00 175.26 173.31 2cry s MET 116 N -2.17 2.97 -0.07 4.30 -1.94 -1.26 -5.05 119.30 116.08 2cry s MET 116 Ca -0.08 -1.19 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 2cry s MET 116 Cb -0.05 -4.05 0.01 0.00 2.01 0.00 0.00 34.83 32.75 2cry s MET 116 CO -0.03 -0.89 -0.13 -1.54 -0.01 0.00 0.00 175.02 172.42 2cry s SER 117 N 2.15 1.83 0.00 3.03 1.04 -1.26 -5.09 113.70 115.41 2cry s SER 117 Ca 0.04 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2cry s SER 117 Cb -0.22 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2cry s SER 117 CO 0.08 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2cry n GLY 118 N 3.81 4.12 3.69 7.32 0.00 -1.26 -5.07 105.19 117.80 2cry n GLY 118 Ca -0.23 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.70 4.28 -0.15 1.61 0.04 -1.26 -4.98 135.00 129.84 2cry s PRO 119 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2cry s PRO 119 Cb 0.00 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 2cry s PRO 119 CO 0.00 -0.56 1.09 0.45 0.04 0.00 0.00 177.00 178.02 2cry s SER 120 N 1.77 7.12 0.86 6.66 0.15 -1.26 -5.03 113.70 123.98 2cry s SER 120 Ca 0.65 1.55 -0.12 0.00 0.70 0.00 0.00 55.95 58.74 2cry s SER 120 Cb -0.33 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.54 2cry s SER 120 CO 0.28 -0.59 1.10 -0.94 1.20 0.00 0.00 173.24 174.29 2cry s SER 121 N 1.33 3.85 0.00 5.45 1.04 -1.26 -5.33 113.70 118.77 2cry s SER 121 Ca 0.49 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2cry s SER 121 Cb -0.19 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2cry s SER 121 CO 0.14 -2.38 0.00 0.61 0.98 0.00 0.00 173.24 172.59