#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 3.08 -0.78 1.61 0.15 -1.26 -4.93 113.70 111.58 2cry s SER 2 Ca 0.00 1.07 -0.26 0.00 0.70 0.00 0.00 55.95 57.46 2cry s SER 2 Cb 0.00 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2cry s SER 2 CO 0.00 -2.83 1.51 -0.55 1.20 0.00 0.00 173.24 172.57 2cry s SER 3 N -3.76 5.92 -0.11 5.45 0.15 -1.26 -4.50 113.70 115.60 2cry s SER 3 Ca 0.64 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 2cry s SER 3 Cb -0.17 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2cry s SER 3 CO 0.55 -1.99 0.09 0.61 1.20 0.00 0.00 173.24 173.71 2cry n GLY 4 N 5.87 -2.46 3.94 9.45 0.00 -1.26 -5.02 105.19 115.71 2cry n GLY 4 Ca 0.16 0.72 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 2cry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 5 N -0.60 4.85 0.02 1.61 1.04 -1.26 -5.15 113.70 114.21 2cry s SER 5 Ca -0.10 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.20 2cry s SER 5 Cb 0.01 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2cry s SER 5 CO 0.39 -1.12 0.16 -0.94 0.98 0.00 0.00 173.24 172.71 2cry s SER 6 N -4.39 0.05 0.00 7.02 1.04 -1.26 -5.14 113.70 111.03 2cry s SER 6 Ca 0.45 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2cry s SER 6 Cb -0.04 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2cry s SER 6 CO 0.28 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2cry n GLY 7 N 0.98 -0.41 3.71 7.32 0.00 -1.26 -5.01 105.19 110.52 2cry n GLY 7 Ca -0.20 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.15 2cry n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cry n THR 8 N -0.06 0.02 -2.49 2.61 -1.04 -1.26 -4.92 114.28 107.14 2cry n THR 8 Ca 0.00 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2cry n THR 8 Cb 0.00 -1.88 -0.02 0.00 -1.82 0.00 0.00 70.33 66.61 2cry n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cry s LEU 9 N 1.08 4.10 0.04 -4.42 1.43 -1.26 -5.01 118.68 114.65 2cry s LEU 9 Ca 0.76 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2cry s LEU 9 Cb -0.54 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.13 2cry s LEU 9 CO 0.34 -0.80 0.16 0.28 0.23 0.00 0.00 176.35 176.56 2cry s THR 10 N 3.58 0.12 -0.07 5.49 -1.32 -1.26 -5.16 115.64 117.02 2cry s THR 10 Ca 0.52 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 2cry s THR 10 Cb -0.19 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.89 2cry s THR 10 CO 0.14 -0.54 -0.12 0.68 -2.21 0.00 0.00 174.62 172.57 2cry s VAL 11 N -2.65 1.11 0.06 5.08 -7.23 -1.26 -5.14 120.40 110.37 2cry s VAL 11 Ca -0.04 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 2cry s VAL 11 Cb -0.01 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2cry s VAL 11 CO -0.04 0.35 0.12 0.54 -0.31 0.00 0.00 175.10 175.76 2cry s ASN 12 N 0.75 5.82 0.00 4.85 2.20 -1.26 -4.49 114.94 122.81 2cry s ASN 12 Ca -0.13 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.89 2cry s ASN 12 Cb -0.16 -1.66 0.00 0.00 -2.00 0.00 0.00 41.25 37.44 2cry s ASN 12 CO 0.03 0.18 0.00 0.61 -2.94 0.00 0.00 177.10 174.98 2cry n GLY 13 N 0.48 -2.39 3.72 0.45 0.00 -1.03 -4.99 105.19 101.43 2cry n GLY 13 Ca -0.08 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.92 1.22 0.29 1.61 0.04 -1.26 -4.16 135.00 130.83 2cry s PRO 14 Ca 0.00 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 2cry s PRO 14 Cb 0.00 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 2cry s PRO 14 CO 0.00 -2.26 1.24 -1.25 0.04 0.00 0.00 177.00 174.77 2cry s PRO 15 N -4.94 4.45 -0.08 0.56 0.04 -1.26 -4.51 135.00 129.26 2cry s PRO 15 Ca 0.63 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.77 2cry s PRO 15 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2cry s PRO 15 CO 0.57 -0.07 -0.21 0.42 0.04 0.00 0.00 177.00 177.75 2cry s ILE 16 N -0.95 1.81 -0.30 0.56 1.01 -1.26 -4.57 121.20 117.49 2cry s ILE 16 Ca 0.49 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2cry s ILE 16 Cb -0.37 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.58 2cry s ILE 16 CO 0.47 0.50 -0.00 -0.63 0.00 0.00 0.00 174.94 175.28 2cry s ILE 17 N 0.35 2.96 -0.03 2.92 1.01 -1.26 0.21 121.20 127.36 2cry s ILE 17 Ca -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.05 2cry s ILE 17 Cb -0.17 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2cry s ILE 17 CO 0.07 -0.12 0.27 -1.28 0.00 0.00 0.00 174.94 173.88 2cry h SER 18 N 7.99 -0.10 -1.24 3.58 0.87 -1.89 -3.47 113.55 119.28 2cry h SER 18 Ca -0.21 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2cry h SER 18 Cb 1.06 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 2cry h SER 18 CO 0.53 0.08 0.43 -1.20 -0.53 0.00 0.00 176.83 176.14 2cry n SER 19 N -3.17 -0.66 -4.95 6.23 7.64 -1.26 -5.03 113.62 112.41 2cry n SER 19 Ca -0.01 -1.20 -0.22 0.00 1.01 0.00 0.00 58.87 58.45 2cry n SER 19 Cb 0.05 1.04 0.01 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.13 2.10 -0.10 0.44 -4.23 -1.26 -0.07 115.64 110.38 2cry s THR 20 Ca 0.14 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.28 2cry s THR 20 Cb -0.01 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2cry s THR 20 CO 0.00 0.00 -0.23 1.67 -0.54 0.00 0.00 174.62 175.52 2cry n GLN 21 N -1.90 0.36 -1.67 3.99 -0.06 -0.59 -4.89 117.38 112.61 2cry n GLN 21 Ca 0.06 0.14 -0.38 0.00 -2.00 0.00 0.00 57.00 54.83 2cry n GLN 21 Cb 0.62 -1.13 0.05 0.00 -4.06 0.00 0.00 30.24 25.73 2cry n GLN 21 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2cry n THR 22 N -4.10 3.85 -3.62 1.69 -1.04 -1.26 -5.00 114.28 104.79 2cry n THR 22 Ca -0.13 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 2cry n THR 22 Cb 0.40 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.51 2cry n THR 22 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2cry s GLN 23 N -2.83 0.99 -1.45 -2.82 2.00 -1.26 -4.87 119.66 109.41 2cry s GLN 23 Ca 0.75 -0.37 -0.01 0.00 -2.00 0.00 0.00 55.36 53.73 2cry s GLN 23 Cb -0.42 0.44 0.01 0.00 0.80 0.00 0.00 33.01 33.84 2cry s GLN 23 CO 0.47 -0.35 0.34 -2.39 -0.50 0.00 0.00 175.29 172.86 2cry n HIS 24 N 0.35 -1.56 -1.56 1.67 1.44 -1.25 -4.77 115.22 109.53 2cry n HIS 24 Ca -0.18 0.72 -0.52 0.00 -2.01 0.00 0.00 57.72 55.72 2cry n HIS 24 Cb 0.61 -3.50 -0.06 0.00 0.12 0.00 0.00 29.99 27.16 2cry n HIS 24 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cry n ALA 25 N -4.44 -1.60 -1.77 1.59 0.00 -1.26 -4.14 120.51 108.89 2cry n ALA 25 Ca -0.30 0.52 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 2cry n ALA 25 Cb 0.68 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 0.56 4.22 0.27 0.00 2.01 -1.26 -4.47 118.68 120.01 2cry s LEU 26 Ca 0.81 2.36 -0.03 0.00 0.01 0.00 0.00 54.13 57.29 2cry s LEU 26 Cb -0.99 -3.99 0.35 0.00 0.01 0.00 0.00 46.19 41.57 2cry s LEU 26 CO 0.51 -0.65 1.86 1.12 1.01 0.00 0.00 176.35 180.20 2cry h HIS 27 N 2.71 1.01 0.39 0.29 2.07 -1.90 -3.26 115.15 116.47 2cry h HIS 27 Ca -0.49 -0.05 -0.02 0.00 -2.85 0.00 0.00 60.37 56.96 2cry h HIS 27 Cb 1.23 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.91 2cry h HIS 27 CO 0.55 0.75 -0.19 0.78 -3.07 0.00 0.00 177.93 176.75 2cry h GLY 28 N 1.06 -0.55 -0.78 6.13 0.00 -1.92 -3.36 103.07 103.66 2cry h GLY 28 Ca 0.24 0.21 -0.31 0.00 0.00 0.00 0.00 47.33 47.47 2cry h GLY 28 CO -0.03 -0.20 -0.13 1.18 0.00 0.00 0.00 176.54 177.36 2cry n GLU 29 N -4.56 -4.32 -3.18 4.80 4.71 -1.23 -4.65 120.64 112.21 2cry n GLU 29 Ca -0.07 -1.23 -0.39 0.00 -0.01 0.00 0.00 57.16 55.46 2cry n GLU 29 Cb 0.21 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.02 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2cry s LYS 30 N -4.75 4.34 -1.10 3.49 1.02 -1.26 -4.25 119.74 117.23 2cry s LYS 30 Ca 0.56 0.78 -0.22 0.00 0.02 0.00 0.00 55.97 57.11 2cry s LYS 30 Cb -0.10 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2cry s LYS 30 CO 0.47 0.37 1.75 0.20 -0.92 0.00 0.00 175.35 177.21 2cry s GLY 31 N -0.21 0.85 0.07 -3.33 0.00 0.36 -4.70 107.32 100.36 2cry s GLY 31 Ca 0.32 -2.22 -0.10 0.00 0.00 0.00 0.00 44.72 42.72 2cry s GLY 31 CO 0.18 3.08 0.39 1.62 0.00 0.00 0.00 173.10 178.38 2cry s GLN 32 N 5.62 3.76 -0.23 2.90 0.74 -1.25 -1.13 119.66 130.07 2cry s GLN 32 Ca 0.59 0.18 -0.04 0.00 0.05 0.00 0.00 55.36 56.14 2cry s GLN 32 Cb -0.01 -3.02 0.08 0.00 1.10 0.00 0.00 33.01 31.16 2cry s GLN 32 CO 0.02 0.57 0.09 0.42 -0.55 0.00 0.00 175.29 175.84 2cry s ILE 33 N -1.37 0.21 -0.52 -2.34 1.01 -0.91 -4.68 121.20 112.61 2cry s ILE 33 Ca 0.32 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 2cry s ILE 33 Cb -0.14 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.41 2cry s ILE 33 CO 0.17 -0.45 0.79 -0.75 0.00 0.00 0.00 174.94 174.71 2cry s LYS 34 N 1.98 3.27 -0.18 2.79 2.20 -1.26 -2.40 119.74 126.14 2cry s LYS 34 Ca 0.04 -0.46 -0.22 0.00 -0.36 0.00 0.00 55.97 54.97 2cry s LYS 34 Cb -0.16 -4.05 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 2cry s LYS 34 CO -0.19 -1.32 0.70 0.00 -0.36 0.00 0.00 175.35 174.18 2cry s PHE 36 N 1.92 2.51 -0.34 0.00 0.40 0.90 -2.91 117.98 120.46 2cry s PHE 36 Ca 0.32 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.10 2cry s PHE 36 Cb -0.16 -4.49 -0.02 0.00 0.51 0.00 0.00 43.02 38.86 2cry s PHE 36 CO 0.11 -1.86 0.27 0.42 0.70 0.00 0.00 175.22 174.86 2cry s ILE 37 N 4.82 5.25 -0.69 0.64 1.01 -0.64 -2.48 121.20 129.11 2cry s ILE 37 Ca 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2cry s ILE 37 Cb -0.10 -3.74 0.33 0.00 0.01 0.00 0.00 42.46 38.96 2cry s ILE 37 CO 0.09 -0.03 2.13 0.54 0.00 0.00 0.00 174.94 177.67 2cry n ARG 38 N 5.18 2.60 -2.89 2.79 1.74 0.13 -1.37 116.66 124.84 2cry n ARG 38 Ca -0.12 -3.12 -0.36 0.00 -0.77 0.00 0.00 57.85 53.48 2cry n ARG 38 Cb 0.50 -2.20 -0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2cry s SER 39 N -1.04 7.17 -0.30 0.55 0.15 -1.25 -4.19 113.70 114.79 2cry s SER 39 Ca 0.56 1.67 -0.00 0.00 0.70 0.00 0.00 55.95 58.87 2cry s SER 39 Cb 0.44 -2.52 0.19 0.00 -1.71 0.00 0.00 66.02 62.42 2cry s SER 39 CO -0.22 -0.10 0.68 -0.89 1.20 0.00 0.00 173.24 173.91 2cry s THR 40 N -1.70 -0.87 1.00 6.45 2.01 -1.26 -3.97 115.64 117.29 2cry s THR 40 Ca 0.50 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 2cry s THR 40 Cb -0.16 -0.94 0.19 0.00 0.01 0.00 0.00 72.50 71.60 2cry s THR 40 CO 0.21 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.07 2cry s PRO 41 N 2.86 0.42 0.83 4.92 0.04 -1.26 -2.45 135.00 140.37 2cry s PRO 41 Ca 0.15 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 2cry s PRO 41 Cb -0.11 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.78 2cry s PRO 41 CO -0.22 -2.74 1.09 -1.25 0.04 0.00 0.00 177.00 173.92 2cry s PRO 42 N -4.96 1.78 0.57 0.56 0.04 -1.25 -4.69 135.00 127.04 2cry s PRO 42 Ca 0.65 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 2cry s PRO 42 Cb -0.19 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2cry s PRO 42 CO 0.58 -1.93 1.12 -1.25 0.04 0.00 0.00 177.00 175.56 2cry s PRO 43 N -4.92 3.23 0.07 0.56 0.04 -1.26 -4.87 135.00 127.85 2cry s PRO 43 Ca 0.62 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.33 2cry s PRO 43 Cb -0.17 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.19 2cry s PRO 43 CO 0.56 -0.94 1.03 -0.44 0.04 0.00 0.00 177.00 177.25 2cry h ASP 44 N 0.92 0.00 -5.12 6.66 5.19 -0.71 -3.48 116.42 119.88 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 1.26 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.59 2cry h ASP 44 CO 0.56 0.91 -0.68 -0.60 -3.12 0.00 0.00 179.24 176.31 2cry s ARG 45 N -2.71 0.48 -0.06 3.56 3.52 -1.05 -5.03 118.95 117.65 2cry s ARG 45 Ca -0.01 -0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 54.53 2cry s ARG 45 Cb 0.09 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 2cry s ARG 45 CO 0.81 -0.09 0.28 0.42 -0.81 0.00 0.00 175.30 175.92 2cry s ILE 46 N -2.81 0.03 -0.01 4.11 1.01 -1.26 -1.48 121.20 120.79 2cry s ILE 46 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2cry s ILE 46 Cb -0.00 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 41.99 2cry s ILE 46 CO -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 174.94 174.74 2cry s ALA 47 N -0.59 0.16 -0.55 9.38 0.00 -0.48 -4.42 121.76 125.26 2cry s ALA 47 Ca -0.07 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2cry s ALA 47 Cb -0.04 -0.17 0.14 0.00 0.00 0.00 0.00 23.12 23.05 2cry s ALA 47 CO 0.02 -0.04 0.46 -1.58 0.00 0.00 0.00 175.76 174.62 2cry s TRP 48 N 0.56 3.43 -0.10 0.00 0.52 -0.66 -1.60 118.94 121.09 2cry s TRP 48 Ca -0.05 -1.80 0.03 0.00 0.02 0.00 0.00 56.10 54.29 2cry s TRP 48 Cb -0.08 -3.60 -0.01 0.00 -1.15 0.00 0.00 33.47 28.63 2cry s TRP 48 CO -0.01 -0.99 -0.20 -1.54 0.02 0.00 0.00 176.95 174.23 2cry s SER 49 N 2.69 3.48 0.00 2.95 1.04 -0.67 -1.66 113.70 121.53 2cry s SER 49 Ca 0.08 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2cry s SER 49 Cb -0.24 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2cry s SER 49 CO -0.01 0.19 0.00 -2.67 0.98 0.00 0.00 173.24 171.72 2cry n TRP 50 N 3.36 0.00 0.00 5.02 2.14 -1.23 -1.89 117.44 124.84 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 -2.00 0.00 0.00 -2.67 4.76 -1.26 -4.75 118.16 112.25 2cry n LYS 51 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2cry n LYS 51 Cb 0.00 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 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 -2.00 2.80 -2.65 1.97 1.02 -1.26 -5.07 120.64 115.45 2cry n GLU 52 Ca 0.00 -0.07 -0.26 0.00 -0.02 0.00 0.00 57.16 56.81 2cry n GLU 52 Cb 0.00 -0.41 0.02 0.00 -0.02 0.00 0.00 31.44 31.02 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 -0.42 5.84 -0.21 1.62 0.01 -1.26 -5.10 114.94 115.41 2cry s ASN 53 Ca 0.00 0.63 -0.08 0.00 -0.71 0.00 0.00 52.86 52.70 2cry s ASN 53 Cb 0.00 -1.79 0.09 0.00 0.41 0.00 0.00 41.25 39.96 2cry s ASN 53 CO 0.00 -0.82 0.46 -0.69 -1.51 0.00 0.00 177.10 174.53 2cry s VAL 54 N -2.79 -0.53 -0.30 1.60 1.01 -1.26 -3.47 120.40 114.66 2cry s VAL 54 Ca 0.50 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2cry s VAL 54 Cb -0.10 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.65 2cry s VAL 54 CO 0.43 0.05 0.00 -0.22 0.00 0.00 0.00 175.10 175.36 2cry s LEU 55 N 2.34 3.86 0.13 3.92 2.96 -0.67 -4.91 118.68 126.32 2cry s LEU 55 Ca -0.04 -1.78 -0.09 0.00 -0.22 0.00 0.00 54.13 51.99 2cry s LEU 55 Cb -0.11 -1.46 -0.07 0.00 0.50 0.00 0.00 46.19 45.05 2cry s LEU 55 CO -0.14 -0.32 1.38 -0.33 -1.32 0.00 0.00 176.35 175.62 2cry h GLU 56 N 7.75 0.74 -1.66 1.98 5.08 -1.88 -1.75 114.58 124.84 2cry h GLU 56 Ca -0.11 -0.54 0.20 0.00 -1.00 0.00 0.00 59.36 57.91 2cry h GLU 56 Cb 1.03 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 2cry h GLU 56 CO 0.48 1.16 0.72 -1.12 -1.00 0.00 0.00 179.01 179.25 2cry s SER 57 N -7.02 -0.21 0.00 1.42 0.01 -1.26 -4.67 113.70 101.97 2cry s SER 57 Ca -0.09 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2cry s SER 57 Cb 0.10 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2cry s SER 57 CO 0.88 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.82 2cry n GLY 58 N -0.02 -1.82 2.95 3.44 0.00 -1.25 -4.88 105.19 103.62 2cry n GLY 58 Ca -0.03 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 2cry n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 59 N 0.00 1.48 -0.75 2.61 2.01 -1.26 -1.74 115.64 117.99 2cry s THR 59 Ca 0.00 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 2cry s THR 59 Cb 0.00 -1.64 0.19 0.00 0.01 0.00 0.00 72.50 71.06 2cry s THR 59 CO 0.00 0.07 0.62 -0.94 -0.69 0.00 0.00 174.62 173.67 2cry s SER 60 N 1.45 5.82 0.06 3.53 1.04 0.11 -4.93 113.70 120.78 2cry s SER 60 Ca -0.02 -3.04 0.00 0.00 0.48 0.00 0.00 55.95 53.37 2cry s SER 60 Cb -0.17 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2cry s SER 60 CO -0.07 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2cry n GLY 61 N 3.31 1.36 0.99 7.32 0.00 -1.26 -2.59 105.19 114.32 2cry n GLY 61 Ca 0.13 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 1.92 -3.67 1.61 1.74 -1.26 -4.88 116.66 112.12 2cry n ARG 62 Ca 0.00 -3.42 -0.20 0.00 -0.77 0.00 0.00 57.85 53.46 2cry n ARG 62 Cb 0.00 -1.66 -0.18 0.00 -1.02 0.00 0.00 32.46 29.60 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cry s TYR 63 N -3.13 0.06 -0.24 -1.55 2.02 -1.07 -3.06 117.35 110.37 2cry s TYR 63 Ca 0.40 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.37 2cry s TYR 63 Cb 0.38 -0.48 0.06 0.00 -0.40 0.00 0.00 41.96 41.51 2cry s TYR 63 CO -0.05 -0.21 -0.09 0.99 -1.57 0.00 0.00 175.55 174.62 2cry s THR 64 N 2.17 1.89 -0.03 -0.71 2.01 0.74 0.05 115.64 121.75 2cry s THR 64 Ca 0.05 -1.39 -0.20 0.00 0.31 0.00 0.00 61.69 60.46 2cry s THR 64 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 2cry s THR 64 CO -0.03 -0.00 0.56 -0.69 -0.69 0.00 0.00 174.62 173.76 2cry s VAL 65 N 1.24 4.99 -0.18 3.82 1.01 -0.71 -0.87 120.40 129.70 2cry s VAL 65 Ca -0.06 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.02 2cry s VAL 65 Cb -0.19 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.39 2cry s VAL 65 CO -0.06 0.40 0.32 -1.61 0.00 0.00 0.00 175.10 174.15 2cry s GLU 66 N -0.02 0.24 0.25 2.72 2.02 -0.10 -3.75 118.70 120.07 2cry s GLU 66 Ca 0.30 0.71 -0.05 0.00 0.02 0.00 0.00 54.97 55.95 2cry s GLU 66 Cb -0.17 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 2cry s GLU 66 CO 0.15 -0.39 0.51 0.99 0.02 0.00 0.00 175.26 176.54 2cry s THR 67 N 2.48 5.06 0.13 3.63 2.01 -1.26 -0.12 115.64 127.57 2cry s THR 67 Ca 0.03 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2cry s THR 67 Cb -0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2cry s THR 67 CO -0.12 -0.24 0.00 -0.63 -0.69 0.00 0.00 174.62 172.95 2cry s ILE 68 N -1.98 0.45 -0.20 1.82 1.01 0.20 -4.95 121.20 117.56 2cry s ILE 68 Ca 0.43 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 59.15 2cry s ILE 68 Cb -0.11 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2cry s ILE 68 CO 0.28 -0.61 -0.15 -0.94 0.00 0.00 0.00 174.94 173.52 2cry s SER 69 N -3.08 3.55 0.37 3.58 1.04 -1.26 -1.12 113.70 116.79 2cry s SER 69 Ca 0.20 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 56.00 2cry s SER 69 Cb 0.07 -1.54 -0.06 0.00 0.10 0.00 0.00 66.02 64.59 2cry s SER 69 CO -0.00 -0.03 0.08 0.42 0.98 0.00 0.00 173.24 174.69 2cry s THR 70 N 1.30 2.48 0.24 2.02 -4.23 0.12 -4.96 115.64 112.61 2cry s THR 70 Ca 0.03 -1.85 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 2cry s THR 70 Cb -0.14 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.01 2cry s THR 70 CO -0.10 -0.10 1.85 1.05 -0.54 0.00 0.00 174.62 176.78 2cry h GLU 71 N 1.65 0.95 -0.12 3.99 4.11 -1.99 -1.53 114.58 121.63 2cry h GLU 71 Ca -0.43 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 58.81 2cry h GLU 71 Cb 1.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2cry h GLU 71 CO 0.69 0.63 -0.51 0.93 0.07 0.00 0.00 179.01 180.82 2cry h GLU 72 N 0.98 0.33 0.00 1.06 4.39 -1.96 -3.49 114.58 115.89 2cry h GLU 72 Ca 0.38 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2cry h GLU 72 Cb 0.19 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2cry h GLU 72 CO -0.18 0.76 0.00 0.41 -1.16 0.00 0.00 179.01 178.84 2cry n GLY 73 N 0.09 -0.84 3.27 -3.84 0.00 -0.58 -4.49 105.19 98.81 2cry n GLY 73 Ca -0.02 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 0.26 -0.18 1.61 -7.23 -0.47 0.11 120.40 114.50 2cry s VAL 74 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 2cry s VAL 74 Cb 0.00 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.46 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 -3.87 -0.23 -0.35 -0.62 1.01 -0.27 -1.63 121.20 115.24 2cry s ILE 75 Ca 0.38 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 2cry s ILE 75 Cb 0.07 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.90 2cry s ILE 75 CO 0.14 0.05 0.19 -0.55 0.00 0.00 0.00 174.94 174.78 2cry s SER 76 N 1.81 5.71 -0.22 3.58 0.15 -1.15 0.62 113.70 124.21 2cry s SER 76 Ca -0.07 -0.73 -0.07 0.00 0.70 0.00 0.00 55.95 55.78 2cry s SER 76 Cb -0.09 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 2cry s SER 76 CO -0.13 -0.29 0.07 -0.89 1.20 0.00 0.00 173.24 173.19 2cry s THR 77 N 1.61 4.54 -0.34 6.45 2.01 0.82 -1.80 115.64 128.93 2cry s THR 77 Ca 0.04 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2cry s THR 77 Cb -0.18 -3.09 0.07 0.00 0.01 0.00 0.00 72.50 69.31 2cry s THR 77 CO 0.07 0.39 0.08 -0.22 -0.69 0.00 0.00 174.62 174.25 2cry s LEU 78 N 1.03 4.38 -0.06 4.42 2.96 -1.01 -0.92 118.68 129.49 2cry s LEU 78 Ca 0.04 -1.52 -0.21 0.00 -0.22 0.00 0.00 54.13 52.23 2cry s LEU 78 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2cry s LEU 78 CO 0.03 -0.36 0.59 -0.89 -1.32 0.00 0.00 176.35 174.40 2cry s THR 79 N 1.22 5.04 -0.32 3.68 2.01 -0.05 -2.14 115.64 125.09 2cry s THR 79 Ca -0.00 1.21 -0.00 0.00 0.31 0.00 0.00 61.69 63.20 2cry s THR 79 Cb -0.21 -3.92 0.07 0.00 0.01 0.00 0.00 72.50 68.45 2cry s THR 79 CO -0.02 0.34 0.03 -0.63 -0.69 0.00 0.00 174.62 173.65 2cry s ILE 80 N 0.34 2.79 0.42 1.82 1.01 -0.28 -0.19 121.20 127.11 2cry s ILE 80 Ca 0.31 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.01 2cry s ILE 80 Cb -0.17 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.48 2cry s ILE 80 CO 0.15 -0.28 1.26 -0.44 0.00 0.00 0.00 174.94 175.63 2cry s SER 81 N 1.28 6.26 -0.99 3.58 0.01 -1.17 -0.49 113.70 122.17 2cry s SER 81 Ca -0.01 2.55 -0.13 0.00 1.31 0.00 0.00 55.95 59.67 2cry s SER 81 Cb -0.20 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.42 2cry s SER 81 CO -0.03 -0.88 0.25 0.59 0.41 0.00 0.00 173.24 173.57 2cry n ASN 82 N -0.05 -1.13 -4.36 2.44 4.13 -1.26 -4.77 115.26 110.26 2cry n ASN 82 Ca 0.05 -0.93 -0.36 0.00 1.68 0.00 0.00 54.58 55.01 2cry n ASN 82 Cb 0.45 -1.14 0.06 0.00 -1.54 0.00 0.00 39.78 37.61 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cry n ILE 83 N -3.76 1.06 -4.45 2.41 3.06 -1.22 -5.00 119.36 111.46 2cry n ILE 83 Ca -0.16 -0.41 -0.24 0.00 -2.50 0.00 0.00 62.75 59.44 2cry n ILE 83 Cb 0.45 -0.49 -0.13 0.00 0.54 0.00 0.00 39.64 40.01 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2cry s VAL 84 N -1.98 1.64 0.35 9.51 -7.23 -1.26 -4.84 120.40 116.59 2cry s VAL 84 Ca 0.60 -1.34 0.23 0.00 -1.81 0.00 0.00 61.98 59.66 2cry s VAL 84 Cb -0.34 -1.46 0.37 0.00 0.56 0.00 0.00 36.38 35.51 2cry s VAL 84 CO 0.64 0.07 1.34 0.54 -0.31 0.00 0.00 175.10 177.38 2cry n ARG 85 N 1.50 -0.04 -0.16 4.82 1.74 -1.26 0.18 116.66 123.44 2cry n ARG 85 Ca -0.18 1.12 -0.04 0.00 -0.77 0.00 0.00 57.85 57.98 2cry n ARG 85 Cb 0.54 -2.12 0.06 0.00 -1.02 0.00 0.00 32.46 29.91 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 1.53 0.63 -1.53 7.54 0.00 -2.00 -1.17 119.26 124.25 2cry h ALA 86 Ca 0.74 0.04 0.44 0.00 0.00 0.00 0.00 54.91 56.14 2cry h ALA 86 Cb 2.19 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 2cry h ALA 86 CO -0.52 -0.15 1.13 -0.44 0.00 0.00 0.00 179.25 179.26 2cry h ASP 87 N 0.43 0.00 0.04 0.00 5.19 0.15 0.57 116.42 122.79 2cry h ASP 87 Ca 0.23 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.52 2cry h ASP 87 Cb 0.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.71 2cry h ASP 87 CO -0.20 0.00 -0.47 -0.26 -3.12 0.00 0.00 179.24 175.20 2cry h PHE 88 N 0.00 0.40 0.00 4.55 0.04 -1.29 -3.26 116.94 117.39 2cry h PHE 88 Ca 0.73 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 61.22 2cry h PHE 88 Cb 2.98 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 41.09 2cry h PHE 88 CO 0.00 1.10 -0.13 1.96 -0.60 0.00 0.00 178.31 180.64 2cry h GLN 89 N -0.41 0.00 -5.98 1.51 4.20 0.10 -3.36 115.11 111.17 2cry h GLN 89 Ca -0.07 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.07 2cry h GLN 89 Cb 1.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 2cry h GLN 89 CO 0.09 0.13 0.23 0.99 -0.67 0.00 0.00 178.83 179.60 2cry s THR 90 N -4.48 4.97 0.22 -0.54 2.01 -0.07 -5.04 115.64 112.71 2cry s THR 90 Ca -0.04 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 2cry s THR 90 Cb 0.15 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 2cry s THR 90 CO 0.64 0.14 0.90 -0.63 -0.69 0.00 0.00 174.62 174.98 2cry s ILE 91 N 1.46 4.14 -0.05 1.82 1.09 -1.26 -4.69 121.20 123.71 2cry s ILE 91 Ca 0.38 1.99 -0.01 0.00 -1.10 0.00 0.00 60.65 61.91 2cry s ILE 91 Cb -0.17 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 2cry s ILE 91 CO 0.16 0.50 0.04 -0.31 -0.10 0.00 0.00 174.94 175.23 2cry s TYR 92 N -1.18 3.24 -0.04 3.97 2.02 -0.99 -4.13 117.35 120.24 2cry s TYR 92 Ca 0.40 0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.30 2cry s TYR 92 Cb -0.25 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2cry s TYR 92 CO 0.30 0.53 0.07 -0.80 -1.57 0.00 0.00 175.55 174.08 2cry s ASN 93 N -1.29 0.54 -0.34 2.29 0.01 -0.79 -1.07 114.94 114.29 2cry s ASN 93 Ca 0.18 0.12 -0.10 0.00 -0.71 0.00 0.00 52.86 52.35 2cry s ASN 93 Cb -0.12 -0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.53 2cry s ASN 93 CO 0.08 -0.19 0.17 0.00 -1.51 0.00 0.00 177.10 175.64 2cry s THR 95 N 1.58 4.74 0.32 0.00 2.01 -0.63 -3.46 115.64 120.20 2cry s THR 95 Ca 0.03 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2cry s THR 95 Cb -0.18 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2cry s THR 95 CO 0.06 0.47 0.07 0.00 -0.69 0.00 0.00 174.62 174.53 2cry s ALA 96 N 0.27 3.32 -0.11 7.40 0.00 -0.84 -1.38 121.76 130.43 2cry s ALA 96 Ca 0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.14 2cry s ALA 96 Cb -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 23.12 22.40 2cry s ALA 96 CO 0.00 0.11 0.21 -1.58 0.00 0.00 0.00 175.76 174.51 2cry s TRP 97 N -2.42 -0.30 0.16 0.00 0.51 -0.55 -2.94 118.94 113.40 2cry s TRP 97 Ca 0.35 0.76 0.06 0.00 -2.12 0.00 0.00 56.10 55.15 2cry s TRP 97 Cb -0.03 -0.16 -0.04 0.00 -0.81 0.00 0.00 33.47 32.43 2cry s TRP 97 CO 0.21 -0.33 -0.13 1.21 -0.51 0.00 0.00 176.95 177.40 2cry s ASN 98 N 2.36 2.09 0.65 2.95 2.47 0.43 0.10 114.94 125.98 2cry s ASN 98 Ca 0.02 -0.95 0.23 0.00 0.42 0.00 0.00 52.86 52.58 2cry s ASN 98 Cb -0.12 -0.07 1.19 0.00 -1.45 0.00 0.00 41.25 40.80 2cry s ASN 98 CO -0.07 -0.23 1.67 0.28 -3.72 0.00 0.00 177.10 175.03 2cry h SER 99 N 2.94 0.00 0.02 -4.21 0.02 -1.96 0.82 113.55 111.18 2cry h SER 99 Ca -0.38 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.48 2cry h SER 99 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2cry h SER 99 CO 0.59 0.00 -0.48 -0.26 -1.14 0.00 0.00 176.83 175.54 2cry h PHE 100 N 0.00 0.07 0.00 3.45 -1.00 -1.95 -3.51 116.94 114.00 2cry h PHE 100 Ca 0.07 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2cry h PHE 100 Cb 1.21 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2cry h PHE 100 CO 0.00 1.19 0.00 0.41 -1.61 0.00 0.00 178.31 178.30 2cry n GLY 101 N 1.57 0.89 2.05 -1.45 0.00 0.28 -4.87 105.19 103.67 2cry n GLY 101 Ca -0.17 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 -3.60 1.61 3.41 -1.26 -0.43 113.62 112.39 2cry n SER 102 Ca 0.00 -2.07 -0.05 0.00 -0.26 0.00 0.00 58.87 56.49 2cry n SER 102 Cb 0.00 1.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.64 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 -2.26 -0.23 -0.10 4.04 -4.77 -1.15 -4.57 116.67 107.62 2cry s ASP 103 Ca 0.15 -0.12 -0.28 0.00 -3.30 0.00 0.00 52.55 49.00 2cry s ASP 103 Cb -0.01 0.33 0.07 0.00 -1.09 0.00 0.00 42.92 42.22 2cry s ASP 103 CO 0.11 -0.57 0.65 -0.89 0.70 0.00 0.00 175.17 175.17 2cry s THR 104 N -2.93 0.00 -0.02 2.11 2.01 -1.26 -1.98 115.64 113.57 2cry s THR 104 Ca 0.09 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 2cry s THR 104 Cb -0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2cry s THR 104 CO -0.05 -0.02 0.20 -0.70 -0.69 0.00 0.00 174.62 173.36 2cry s GLU 105 N -0.81 0.48 -0.07 4.92 2.56 -1.22 -4.93 118.70 119.62 2cry s GLU 105 Ca -0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 54.97 54.64 2cry s GLU 105 Cb -0.02 0.21 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 2cry s GLU 105 CO 0.07 -0.11 0.19 0.42 -0.56 0.00 0.00 175.26 175.27 2cry s ILE 106 N -1.01 5.42 -0.06 -3.70 1.01 -1.26 -3.01 121.20 118.59 2cry s ILE 106 Ca -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 2cry s ILE 106 Cb -0.06 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2cry s ILE 106 CO 0.02 0.53 0.04 -0.63 0.00 0.00 0.00 174.94 174.89 2cry s ILE 107 N -1.13 0.12 -0.25 2.92 1.09 -0.23 -4.98 121.20 118.74 2cry s ILE 107 Ca 0.20 0.25 -0.13 0.00 -1.10 0.00 0.00 60.65 59.86 2cry s ILE 107 Cb -0.13 -0.36 -0.04 0.00 -1.06 0.00 0.00 42.46 40.87 2cry s ILE 107 CO 0.09 0.19 0.30 -0.13 -0.10 0.00 0.00 174.94 175.29 2cry s ARG 108 N 2.07 4.05 -0.44 2.79 3.00 -1.26 -2.34 118.95 126.82 2cry s ARG 108 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 55.73 55.76 2cry s ARG 108 Cb -0.12 -3.60 0.66 0.00 0.00 0.00 0.00 34.95 31.88 2cry s ARG 108 CO -0.04 -0.13 1.89 -0.11 0.00 0.00 0.00 175.30 176.91 2cry n LEU 109 N 4.85 6.60 -2.67 2.53 7.94 -1.26 -4.76 117.00 130.22 2cry n LEU 109 Ca -0.11 -3.63 -0.26 0.00 -1.11 0.00 0.00 56.01 50.90 2cry n LEU 109 Cb 0.51 -0.83 -0.00 0.00 0.53 0.00 0.00 43.42 43.63 2cry n LEU 109 CO 0.37 1.07 -0.26 2.29 -1.11 0.00 0.00 177.39 179.74 2cry n LYS 110 N -1.15 0.00 -1.72 1.96 0.00 -1.26 -4.39 118.16 111.60 2cry n LYS 110 Ca 0.58 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.49 2cry n LYS 110 Cb 1.63 -0.62 0.01 0.00 -0.00 0.00 0.00 35.03 36.05 2cry n LYS 110 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2cry n GLU 111 N 0.82 2.09 -0.26 -1.58 2.13 -1.26 -3.96 120.64 118.63 2cry n GLU 111 Ca 0.07 0.74 -0.21 0.00 0.66 0.00 0.00 57.16 58.43 2cry n GLU 111 Cb 0.24 -2.46 0.20 0.00 0.27 0.00 0.00 31.44 29.69 2cry n GLU 111 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cry n GLN 112 N 0.07 -3.29 -0.27 5.31 10.64 -1.26 -4.88 117.38 123.70 2cry n GLN 112 Ca 0.06 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 54.23 2cry n GLN 112 Cb 0.40 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2cry n GLY 113 N -3.52 0.33 1.69 2.61 0.00 -1.26 -5.03 105.19 100.01 2cry n GLY 113 Ca 0.09 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.08 4.35 -0.33 1.61 3.41 -1.26 -4.78 113.62 116.53 2cry n SER 114 Ca 0.00 -3.79 0.22 0.00 -0.26 0.00 0.00 58.87 55.05 2cry n SER 114 Cb 0.00 -0.57 0.45 0.00 -0.26 0.00 0.00 64.21 63.84 2cry n SER 114 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2cry h GLU 115 N 1.66 0.35 -6.73 4.33 4.11 -2.02 -3.41 114.58 112.88 2cry h GLU 115 Ca 0.34 -0.02 -0.57 0.00 0.07 0.00 0.00 59.36 59.18 2cry h GLU 115 Cb 1.42 -0.08 0.11 0.00 0.50 0.00 0.00 28.75 30.70 2cry h GLU 115 CO 0.73 0.23 0.50 -0.12 0.07 0.00 0.00 179.01 180.42 2cry n MET 116 N -5.03 2.10 -4.20 1.06 1.56 -1.26 -4.98 117.12 106.36 2cry n MET 116 Ca 0.31 0.73 -0.35 0.00 -0.27 0.00 0.00 57.70 58.12 2cry n MET 116 Cb 0.93 -2.31 -0.10 0.00 2.15 0.00 0.00 33.22 33.90 2cry n MET 116 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2cry s SER 117 N -0.30 5.42 0.26 6.12 0.15 -1.26 -5.06 113.70 119.03 2cry s SER 117 Ca 0.56 0.11 -0.28 0.00 0.70 0.00 0.00 55.95 57.04 2cry s SER 117 Cb -0.58 -1.76 -0.15 0.00 -1.71 0.00 0.00 66.02 61.82 2cry s SER 117 CO 0.62 0.27 0.77 0.61 1.20 0.00 0.00 173.24 176.71 2cry n GLY 118 N 2.85 -0.96 3.77 9.45 0.00 -1.26 -4.92 105.19 114.12 2cry n GLY 118 Ca -0.18 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.33 2.55 0.22 1.61 0.04 -1.26 -4.95 135.00 131.87 2cry s PRO 119 Ca 0.61 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 2cry s PRO 119 Cb -0.78 -1.93 0.19 0.00 0.04 0.00 0.00 34.50 32.02 2cry s PRO 119 CO 0.58 -1.43 1.87 0.77 0.04 0.00 0.00 177.00 178.83 2cry h SER 120 N -0.51 1.01 -1.07 6.66 0.02 -2.08 -3.42 113.55 114.16 2cry h SER 120 Ca -0.45 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 60.59 2cry h SER 120 Cb 1.24 -0.25 -0.22 0.00 0.14 0.00 0.00 62.40 63.31 2cry h SER 120 CO 0.53 0.77 0.02 -0.44 -1.14 0.00 0.00 176.83 176.57 2cry s SER 121 N -6.06 -0.86 0.00 3.07 0.01 -1.26 -5.34 113.70 103.26 2cry s SER 121 Ca -0.13 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2cry s SER 121 Cb 0.16 1.85 0.00 0.00 0.21 0.00 0.00 66.02 68.24 2cry s SER 121 CO 0.80 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.90