#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbk s GLN 2 N 0.00 3.68 0.22 2.12 -0.21 -1.26 -0.72 119.66 123.49 2gbk s GLN 2 Ca 0.00 -0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.18 2gbk s GLN 2 Cb 0.00 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 2gbk s GLN 2 CO 0.00 0.53 -0.04 0.96 -2.12 0.00 0.00 175.29 174.62 2gbk s ILE 3 N -0.33 1.19 0.06 1.08 -4.36 -0.91 0.07 121.20 118.00 2gbk s ILE 3 Ca 0.10 -2.06 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 2gbk s ILE 3 Cb -0.12 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 2gbk s ILE 3 CO 0.01 -0.42 -0.13 -0.36 0.24 0.00 0.00 174.94 174.29 2gbk s PHE 4 N -3.32 2.68 -0.06 1.37 0.08 -0.03 -1.11 117.98 117.59 2gbk s PHE 4 Ca 0.26 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.15 2gbk s PHE 4 Cb 0.04 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2gbk s PHE 4 CO 0.08 0.35 -0.10 0.08 -0.10 0.00 0.00 175.22 175.53 2gbk s VAL 5 N -1.06 0.96 0.12 -0.44 1.01 -0.24 -0.79 120.40 119.96 2gbk s VAL 5 Ca 0.18 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2gbk s VAL 5 Cb -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2gbk s VAL 5 CO 0.09 0.32 0.18 -1.59 0.00 0.00 0.00 175.10 174.10 2gbk s LYS 6 N 0.83 0.94 0.96 2.72 -2.85 -0.86 -1.26 119.74 120.22 2gbk s LYS 6 Ca -0.12 -1.12 -0.13 0.00 -1.00 0.00 0.00 55.97 53.60 2gbk s LYS 6 Cb -0.15 0.33 0.17 0.00 -2.06 0.00 0.00 37.83 36.11 2gbk s LYS 6 CO 0.02 -0.30 1.14 0.95 0.10 0.00 0.00 175.35 177.25 2gbk s THR 7 N -3.93 1.96 0.66 3.79 -4.23 -1.26 -1.17 115.64 111.46 2gbk s THR 7 Ca 0.12 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2gbk s THR 7 Cb 0.05 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2gbk s THR 7 CO -0.05 0.00 1.17 -0.76 -0.54 0.00 0.00 174.62 174.43 2gbk s LEU 8 N -6.21 3.45 0.27 4.79 1.43 -1.26 -4.81 118.68 116.35 2gbk s LEU 8 Ca 0.66 2.23 -0.03 0.00 -1.03 0.00 0.00 54.13 55.95 2gbk s LEU 8 Cb -0.14 -4.58 0.37 0.00 0.03 0.00 0.00 46.19 41.87 2gbk s LEU 8 CO 0.54 -1.82 1.93 0.74 0.23 0.00 0.00 176.35 177.98 2gbk h THR 9 N 0.19 1.20 -0.86 5.49 2.02 -1.99 -1.51 112.91 117.46 2gbk h THR 9 Ca -0.48 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2gbk h THR 9 Cb 1.28 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2gbk h THR 9 CO 0.53 0.22 0.46 -0.61 0.37 0.00 0.00 175.52 176.50 2gbk h GLN 10 N 1.22 1.19 0.08 6.66 4.15 -2.00 -0.39 115.11 126.03 2gbk h GLN 10 Ca 0.36 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 2gbk h GLN 10 Cb -0.06 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.39 2gbk h GLN 10 CO -0.09 0.88 -0.04 0.28 -1.93 0.00 0.00 178.83 177.92 2gbk h VAL 11 N 1.20 1.09 -0.54 2.39 2.07 -1.76 -3.12 116.25 117.58 2gbk h VAL 11 Ca 0.30 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2gbk h VAL 11 Cb 0.03 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2gbk h VAL 11 CO -0.05 0.15 0.18 0.03 0.02 0.00 0.00 177.57 177.90 2gbk h ARG 12 N -0.39 0.80 -0.15 1.57 3.08 -1.06 -1.48 114.38 116.74 2gbk h ARG 12 Ca -0.01 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2gbk h ARG 12 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2gbk h ARG 12 CO 0.02 0.69 -0.15 0.93 -1.07 0.00 0.00 179.97 180.38 2gbk h GLU 13 N 0.78 0.24 0.05 0.04 5.08 -1.13 0.39 114.58 120.03 2gbk h GLU 13 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2gbk h GLU 13 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2gbk h GLU 13 CO -0.01 0.40 -0.02 1.25 -1.00 0.00 0.00 179.01 179.63 2gbk h LEU 14 N 0.23 -0.05 -0.26 1.33 5.85 -1.33 -3.41 115.31 117.66 2gbk h LEU 14 Ca 0.04 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2gbk h LEU 14 Cb 0.41 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2gbk h LEU 14 CO 0.03 0.68 -0.27 1.33 -0.34 0.00 0.00 178.44 179.87 2gbk n VAL 15 N -4.75 0.00 -4.14 1.05 0.24 -0.62 -5.12 118.33 104.99 2gbk n VAL 15 Ca -0.07 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2gbk n VAL 15 Cb 0.30 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 2gbk n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gbk n GLY 16 N 1.03 -0.65 0.00 7.63 0.00 0.14 -5.02 105.19 108.31 2gbk n GLY 16 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2gbk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbk n GLY 17 N 0.00 2.00 3.49 -0.02 0.00 -1.26 -4.45 105.19 104.95 2gbk n GLY 17 Ca 0.00 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 2gbk n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbk s LYS 18 N -1.65 1.75 -0.01 1.61 -0.14 -1.26 -5.10 119.74 114.94 2gbk s LYS 18 Ca 0.00 -1.51 -0.22 0.00 -1.36 0.00 0.00 55.97 52.89 2gbk s LYS 18 Cb 0.00 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 2gbk s LYS 18 CO 0.00 0.39 0.64 0.99 -0.76 0.00 0.00 175.35 176.61 2gbk s THR 19 N -1.90 4.92 -0.11 2.17 2.01 -1.26 -4.77 115.64 116.70 2gbk s THR 19 Ca 0.25 1.33 -0.03 0.00 0.31 0.00 0.00 61.69 63.54 2gbk s THR 19 Cb -0.07 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2gbk s THR 19 CO 0.13 0.37 0.02 0.27 -0.69 0.00 0.00 174.62 174.72 2gbk s ILE 20 N 0.07 4.43 -0.20 1.82 -4.36 -0.39 -4.94 121.20 117.63 2gbk s ILE 20 Ca 0.33 -0.19 -0.13 0.00 -0.26 0.00 0.00 60.65 60.40 2gbk s ILE 20 Cb -0.18 -2.90 -0.05 0.00 1.25 0.00 0.00 42.46 40.58 2gbk s ILE 20 CO 0.18 0.57 0.26 -0.89 0.24 0.00 0.00 174.94 175.30 2gbk s THR 21 N -0.53 5.31 -0.03 8.37 2.01 -1.26 -1.08 115.64 128.43 2gbk s THR 21 Ca 0.09 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.57 2gbk s THR 21 Cb -0.12 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2gbk s THR 21 CO 0.02 0.35 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 2gbk s LEU 22 N 0.80 3.03 -0.43 4.42 1.43 -0.27 -4.99 118.68 122.67 2gbk s LEU 22 Ca 0.14 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 2gbk s LEU 22 Cb -0.13 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2gbk s LEU 22 CO 0.04 0.32 0.48 -1.61 0.23 0.00 0.00 176.35 175.81 2gbk s GLU 23 N -1.07 3.11 0.40 1.70 0.41 -1.26 -2.15 118.70 119.84 2gbk s GLU 23 Ca 0.14 -0.76 0.04 0.00 -0.41 0.00 0.00 54.97 53.98 2gbk s GLU 23 Cb -0.11 -3.99 -0.02 0.00 -1.78 0.00 0.00 34.13 28.24 2gbk s GLU 23 CO 0.04 -0.92 0.16 1.33 -0.49 0.00 0.00 175.26 175.37 2gbk n VAL 24 N 5.49 0.00 -4.14 2.63 0.24 0.10 -4.98 118.33 117.68 2gbk n VAL 24 Ca -0.07 -2.35 -0.14 0.00 -2.04 0.00 0.00 64.34 59.74 2gbk n VAL 24 Cb 0.47 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.60 2gbk n VAL 24 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2gbk s GLU 25 N -3.52 0.74 0.60 7.34 2.02 -1.26 -1.64 118.70 122.98 2gbk s GLU 25 Ca 0.22 -1.02 0.30 0.00 0.02 0.00 0.00 54.97 54.49 2gbk s GLU 25 Cb 0.01 -0.47 1.71 0.00 0.10 0.00 0.00 34.13 35.48 2gbk s GLU 25 CO 0.16 0.08 2.11 -1.35 0.02 0.00 0.00 175.26 176.27 2gbk h PRO 26 N 3.90 0.00 -0.00 0.39 0.11 -1.95 -0.78 132.00 133.67 2gbk h PRO 26 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2gbk h PRO 26 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gbk h PRO 26 CO 0.48 0.00 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.04 2gbk n SER 27 N -3.69 0.14 -4.77 -2.05 3.41 -1.26 -1.62 113.62 103.78 2gbk n SER 27 Ca 0.01 0.15 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 2gbk n SER 27 Cb 0.31 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2gbk n SER 27 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbk s ASP 28 N -2.88 6.09 0.65 4.04 1.11 -0.30 -4.78 116.67 120.60 2gbk s ASP 28 Ca 0.17 2.47 -0.06 0.00 0.18 0.00 0.00 52.55 55.31 2gbk s ASP 28 Cb 0.19 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.60 2gbk s ASP 28 CO 0.54 -0.99 0.96 0.42 1.18 0.00 0.00 175.17 177.29 2gbk s THR 29 N -1.42 2.93 0.26 -1.27 -4.23 -1.26 -1.30 115.64 109.35 2gbk s THR 29 Ca 0.63 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 2gbk s THR 29 Cb -0.33 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2gbk s THR 29 CO 0.41 -0.23 1.67 0.40 -0.54 0.00 0.00 174.62 176.32 2gbk h ILE 30 N -0.40 1.28 -0.97 2.99 1.08 -1.22 -2.00 117.51 118.28 2gbk h ILE 30 Ca -0.45 -1.40 -0.00 0.00 -0.39 0.00 0.00 64.86 62.62 2gbk h ILE 30 Cb 1.29 1.43 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 2gbk h ILE 30 CO 0.60 0.44 0.60 -0.33 -0.69 0.00 0.00 178.15 178.78 2gbk h GLU 31 N 0.44 1.30 -0.71 2.37 5.08 -1.77 0.71 114.58 122.00 2gbk h GLU 31 Ca 0.05 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2gbk h GLU 31 Cb 0.77 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2gbk h GLU 31 CO 0.06 0.89 0.40 -0.91 -1.00 0.00 0.00 179.01 178.46 2gbk h ASN 32 N 1.33 0.88 -0.54 1.42 -0.26 -1.77 -1.57 115.58 115.06 2gbk h ASN 32 Ca 0.35 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 2gbk h ASN 32 Cb -0.09 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.93 2gbk h ASN 32 CO -0.07 0.71 0.21 0.58 -1.06 0.00 0.00 177.43 177.80 2gbk h VAL 33 N 0.98 1.22 -0.59 2.81 2.07 -0.77 -2.11 116.25 119.86 2gbk h VAL 33 Ca 0.25 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2gbk h VAL 33 Cb 0.01 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2gbk h VAL 33 CO -0.04 0.26 0.32 0.11 0.02 0.00 0.00 177.57 178.23 2gbk h LYS 34 N 0.73 0.81 -0.73 1.57 1.57 -0.69 -1.38 116.57 118.44 2gbk h LYS 34 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2gbk h LYS 34 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2gbk h LYS 34 CO -0.01 0.60 0.22 0.00 -0.57 0.00 0.00 179.45 179.68 2gbk h ALA 35 N 1.53 0.96 -0.26 3.86 0.00 -0.96 -1.73 119.26 122.66 2gbk h ALA 35 Ca 0.21 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2gbk h ALA 35 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2gbk h ALA 35 CO -0.03 0.66 -0.24 0.87 0.00 0.00 0.00 179.25 180.51 2gbk h LYS 36 N 1.09 0.49 -0.53 0.00 1.57 -0.78 -1.47 116.57 116.94 2gbk h LYS 36 Ca 0.24 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2gbk h LYS 36 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2gbk h LYS 36 CO -0.01 0.69 0.05 0.82 -0.57 0.00 0.00 179.45 180.43 2gbk h ILE 37 N 0.43 1.26 -0.75 1.86 2.04 -1.06 -2.62 117.51 118.67 2gbk h ILE 37 Ca 0.07 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2gbk h ILE 37 Cb 0.65 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2gbk h ILE 37 CO 0.05 0.36 0.40 -0.61 0.00 0.00 0.00 178.15 178.35 2gbk h GLN 38 N 0.78 1.05 -0.68 2.37 4.15 -1.02 0.62 115.11 122.38 2gbk h GLN 38 Ca 0.16 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.50 2gbk h GLN 38 Cb 0.46 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 2gbk h GLN 38 CO 0.02 0.78 0.40 0.22 -1.93 0.00 0.00 178.83 178.32 2gbk h ASP 39 N 1.05 0.64 0.16 -0.69 3.58 -1.07 0.12 116.42 120.21 2gbk h ASP 39 Ca 0.27 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 57.40 2gbk h ASP 39 Cb 0.04 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2gbk h ASP 39 CO -0.04 0.43 -1.69 0.11 -2.88 0.00 0.00 179.24 175.17 2gbk h LYS 40 N 0.77 0.34 -0.00 0.28 1.57 -1.09 -3.41 116.57 115.03 2gbk h LYS 40 Ca 0.29 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2gbk h LYS 40 Cb 0.10 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2gbk h LYS 40 CO -0.14 1.28 -0.10 0.39 -0.57 0.00 0.00 179.45 180.31 2gbk n GLU 41 N -3.67 4.74 -1.02 3.15 -0.58 0.18 -5.03 120.64 118.39 2gbk n GLU 41 Ca -0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 57.16 56.33 2gbk n GLU 41 Cb 1.02 -0.71 -0.00 0.00 -0.57 0.00 0.00 31.44 31.18 2gbk n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gbk n GLY 42 N 0.87 0.48 3.68 0.62 0.00 0.03 -5.00 105.19 105.89 2gbk n GLY 42 Ca 0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2gbk n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbk s ILE 43 N -1.96 4.93 0.24 -0.61 1.01 -1.26 -4.97 121.20 118.58 2gbk s ILE 43 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 2gbk s ILE 43 Cb 0.00 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2gbk s ILE 43 CO 0.00 0.10 1.36 -2.84 0.00 0.00 0.00 174.94 173.56 2gbk s PRO 44 N 1.73 4.33 0.34 2.79 0.02 -1.26 -4.06 135.00 138.89 2gbk s PRO 44 Ca 0.38 2.19 0.12 0.00 0.02 0.00 0.00 61.00 63.71 2gbk s PRO 44 Cb -0.17 -3.14 0.93 0.00 0.02 0.00 0.00 34.50 32.14 2gbk s PRO 44 CO 0.15 -0.31 1.75 -1.35 -0.33 0.00 0.00 177.00 176.91 2gbk h PRO 45 N 4.87 0.54 -0.95 5.54 0.11 -1.93 0.17 132.00 140.35 2gbk h PRO 45 Ca -0.46 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.79 2gbk h PRO 45 Cb 1.22 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2gbk h PRO 45 CO 0.75 0.36 0.60 -0.44 -0.21 0.00 0.00 178.00 179.06 2gbk h ASP 46 N 0.56 0.68 0.92 -2.05 5.19 -1.97 -1.87 116.42 117.88 2gbk h ASP 46 Ca 0.62 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 2gbk h ASP 46 Cb 1.25 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2gbk h ASP 46 CO -0.41 0.30 -0.45 0.00 -3.12 0.00 0.00 179.24 175.57 2gbk n GLN 47 N -4.62 0.22 -3.12 3.56 3.00 0.56 -4.82 117.38 112.15 2gbk n GLN 47 Ca 0.20 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 2gbk n GLN 47 Cb 0.54 -1.66 -0.05 0.00 0.00 0.00 0.00 30.24 29.06 2gbk n GLN 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2gbk s GLN 48 N -3.11 4.39 -0.07 -1.09 -0.21 -0.70 -1.18 119.66 117.68 2gbk s GLN 48 Ca 0.08 0.87 0.01 0.00 0.02 0.00 0.00 55.36 56.34 2gbk s GLN 48 Cb 0.14 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.83 2gbk s GLN 48 CO 0.68 0.34 -0.07 1.03 -2.12 0.00 0.00 175.29 175.15 2gbk s ARG 49 N -0.16 1.23 -0.08 2.91 1.81 -0.95 -4.89 118.95 118.81 2gbk s ARG 49 Ca 0.34 -0.20 -0.04 0.00 -1.72 0.00 0.00 55.73 54.10 2gbk s ARG 49 Cb -0.19 -1.22 -0.04 0.00 -0.45 0.00 0.00 34.95 33.05 2gbk s ARG 49 CO 0.20 -0.13 0.11 -0.51 -0.68 0.00 0.00 175.30 174.29 2gbk s LEU 50 N 1.20 4.17 -0.06 2.53 1.43 -1.26 -1.96 118.68 124.73 2gbk s LEU 50 Ca -0.06 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2gbk s LEU 50 Cb -0.14 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2gbk s LEU 50 CO -0.02 0.36 -0.12 -0.63 0.23 0.00 0.00 176.35 176.17 2gbk s ILE 51 N -1.08 1.08 -0.01 -0.59 1.01 0.22 -1.00 121.20 120.83 2gbk s ILE 51 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2gbk s ILE 51 Cb -0.12 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.37 2gbk s ILE 51 CO 0.08 0.34 0.01 0.12 0.00 0.00 0.00 174.94 175.48 2gbk s PHE 52 N 0.65 0.10 -1.44 3.97 5.36 -0.44 -1.14 117.98 125.03 2gbk s PHE 52 Ca -0.14 0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 55.77 2gbk s PHE 52 Cb -0.15 -0.17 0.07 0.00 -0.34 0.00 0.00 43.02 42.43 2gbk s PHE 52 CO 0.03 -0.05 0.72 0.00 -1.46 0.00 0.00 175.22 174.46 2gbk n ALA 53 N 3.59 -1.13 -0.90 11.12 0.00 -1.26 -1.28 120.51 130.65 2gbk n ALA 53 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gbk n ALA 53 Cb 0.55 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 16.28 2gbk n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbk n GLY 54 N -1.46 0.78 3.65 0.00 0.00 -1.26 -5.01 105.19 101.89 2gbk n GLY 54 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2gbk n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbk s LYS 55 N -0.21 3.02 0.04 1.61 1.02 -0.40 -5.09 119.74 119.72 2gbk s LYS 55 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 2gbk s LYS 55 Cb 0.00 -2.78 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 2gbk s LYS 55 CO 0.00 0.66 1.34 -1.14 -0.92 0.00 0.00 175.35 175.28 2gbk s GLN 56 N -0.76 4.33 0.10 1.68 0.74 -1.26 -1.32 119.66 123.16 2gbk s GLN 56 Ca 0.12 1.93 -0.23 0.00 0.05 0.00 0.00 55.36 57.22 2gbk s GLN 56 Cb -0.11 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.48 2gbk s GLN 56 CO 0.02 -0.46 0.70 -0.51 -0.55 0.00 0.00 175.29 174.49 2gbk s LEU 57 N 1.79 4.53 0.22 3.68 1.43 -0.17 -4.97 118.68 125.19 2gbk s LEU 57 Ca 0.62 1.45 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 2gbk s LEU 57 Cb -0.32 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 2gbk s LEU 57 CO 0.28 0.17 0.45 -1.83 0.23 0.00 0.00 176.35 175.64 2gbk s GLU 58 N -0.79 3.58 0.17 1.70 -1.05 -1.26 -4.68 118.70 116.37 2gbk s GLU 58 Ca 0.34 -0.16 -0.11 0.00 -0.15 0.00 0.00 54.97 54.89 2gbk s GLU 58 Cb -0.21 -2.77 0.04 0.00 -0.44 0.00 0.00 34.13 30.75 2gbk s GLU 58 CO 0.23 0.35 1.63 -0.44 0.95 0.00 0.00 175.26 177.97 2gbk h ASP 59 N 2.07 0.95 1.07 0.83 3.32 -1.98 -3.17 116.42 119.51 2gbk h ASP 59 Ca -0.47 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.28 2gbk h ASP 59 Cb 1.18 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2gbk h ASP 59 CO 0.68 1.01 0.00 1.23 -1.72 0.00 0.00 179.24 180.45 2gbk h GLY 60 N 0.86 0.00 -2.83 2.75 0.00 -1.97 -2.63 103.07 99.25 2gbk h GLY 60 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.99 2gbk h GLY 60 CO 0.03 0.00 0.04 0.50 0.00 0.00 0.00 176.54 177.11 2gbk s ARG 61 N -3.26 3.81 0.50 4.80 1.81 -1.20 -4.85 118.95 120.56 2gbk s ARG 61 Ca 0.06 0.42 -0.07 0.00 -1.72 0.00 0.00 55.73 54.42 2gbk s ARG 61 Cb 0.10 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 32.09 2gbk s ARG 61 CO 0.49 0.10 0.83 0.95 -0.68 0.00 0.00 175.30 176.99 2gbk s THR 62 N -2.16 4.85 0.22 0.02 -4.23 -1.26 -1.75 115.64 111.33 2gbk s THR 62 Ca 0.50 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.33 2gbk s THR 62 Cb -0.10 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.08 2gbk s THR 62 CO 0.26 -0.85 1.87 -0.07 -0.54 0.00 0.00 174.62 175.29 2gbk h LEU 63 N 0.29 1.02 -1.78 4.79 3.38 -1.22 -2.08 115.31 119.71 2gbk h LEU 63 Ca -0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2gbk h LEU 63 Cb 1.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2gbk h LEU 63 CO 0.62 0.79 0.07 0.77 0.09 0.00 0.00 178.44 180.78 2gbk h SER 64 N 1.16 0.19 -0.44 -0.43 4.64 -1.53 -1.63 113.55 115.50 2gbk h SER 64 Ca 0.30 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2gbk h SER 64 Cb -0.05 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2gbk h SER 64 CO -0.06 0.17 0.20 -0.78 -0.87 0.00 0.00 176.83 175.49 2gbk h ASP 65 N 0.22 0.63 -0.35 4.97 3.58 -1.65 -1.69 116.42 122.13 2gbk h ASP 65 Ca 0.06 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2gbk h ASP 65 Cb 0.03 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2gbk h ASP 65 CO -0.01 0.57 0.00 -1.22 -2.88 0.00 0.00 179.24 175.70 2gbk n TYR 66 N -4.36 0.47 -3.30 0.28 4.01 -0.86 -4.93 117.16 108.47 2gbk n TYR 66 Ca 0.04 -0.24 -0.24 0.00 -0.16 0.00 0.00 57.90 57.31 2gbk n TYR 66 Cb 0.15 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.22 2gbk n TYR 66 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gbk n ASN 67 N 0.61 -5.91 -4.58 7.72 5.03 -0.63 -4.95 115.26 112.55 2gbk n ASN 67 Ca 0.14 -0.41 -0.43 0.00 0.87 0.00 0.00 54.58 54.75 2gbk n ASN 67 Cb 0.34 -4.73 -0.04 0.00 -1.02 0.00 0.00 39.78 34.33 2gbk n ASN 67 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2gbk s ILE 68 N -3.21 4.51 0.43 2.41 1.01 -0.67 -5.02 121.20 120.66 2gbk s ILE 68 Ca 0.43 0.96 0.06 0.00 0.00 0.00 0.00 60.65 62.10 2gbk s ILE 68 Cb -0.20 -4.39 0.06 0.00 0.01 0.00 0.00 42.46 37.94 2gbk s ILE 68 CO 0.53 -0.71 0.50 0.00 0.00 0.00 0.00 174.94 175.27 2gbk n GLN 69 N 7.01 0.76 -1.88 2.79 1.13 -1.26 -4.51 117.38 121.42 2gbk n GLN 69 Ca 0.07 -2.45 -0.41 0.00 -1.94 0.00 0.00 57.00 52.27 2gbk n GLN 69 Cb 0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 30.24 30.81 2gbk n GLN 69 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2gbk s LYS 70 N -3.89 4.09 -2.05 -1.09 1.02 -1.26 -2.10 119.74 114.45 2gbk s LYS 70 Ca 0.38 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.82 2gbk s LYS 70 Cb -0.03 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2gbk s LYS 70 CO 0.24 -0.50 0.00 0.39 -0.92 0.00 0.00 175.35 174.56 2gbk n GLU 71 N 0.41 -1.36 -2.49 1.68 4.71 0.11 -5.00 120.64 118.70 2gbk n GLU 71 Ca 0.01 1.18 -0.34 0.00 -0.01 0.00 0.00 57.16 58.00 2gbk n GLU 71 Cb 0.40 -5.51 -0.03 0.00 -1.01 0.00 0.00 31.44 25.29 2gbk n GLU 71 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2gbk s SER 72 N -2.76 6.25 -0.20 1.62 0.01 -0.89 -4.75 113.70 112.97 2gbk s SER 72 Ca 0.00 1.99 -0.03 0.00 1.31 0.00 0.00 55.95 59.21 2gbk s SER 72 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2gbk s SER 72 CO 0.00 -0.85 -0.05 -0.89 0.41 0.00 0.00 173.24 171.86 2gbk s THR 73 N -1.92 3.44 0.03 1.44 2.01 -1.26 -0.85 115.64 118.53 2gbk s THR 73 Ca 0.68 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2gbk s THR 73 Cb -0.18 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2gbk s THR 73 CO 0.22 0.45 0.13 -0.76 -0.69 0.00 0.00 174.62 173.97 2gbk s LEU 74 N 1.11 4.07 -0.18 4.42 1.43 0.03 -4.85 118.68 124.71 2gbk s LEU 74 Ca 0.01 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2gbk s LEU 74 Cb -0.15 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2gbk s LEU 74 CO -0.00 0.22 0.09 -1.00 0.23 0.00 0.00 176.35 175.89 2gbk s HIS 75 N -1.34 3.35 -0.16 0.29 3.76 -0.29 -2.02 115.29 118.87 2gbk s HIS 75 Ca 0.28 0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 55.37 2gbk s HIS 75 Cb -0.12 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2gbk s HIS 75 CO 0.20 0.29 0.00 -1.17 -0.85 0.00 0.00 174.74 173.22 2gbk s LEU 76 N 0.12 3.48 0.23 0.89 2.96 -0.32 -0.61 118.68 125.44 2gbk s LEU 76 Ca 0.07 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2gbk s LEU 76 Cb -0.12 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2gbk s LEU 76 CO -0.00 0.19 -0.02 0.68 -1.32 0.00 0.00 176.35 175.87 2gbk s VAL 77 N 0.28 1.16 0.10 1.68 -7.23 -0.83 -4.22 120.40 111.34 2gbk s VAL 77 Ca -0.00 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 57.91 2gbk s VAL 77 Cb -0.13 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 2gbk s VAL 77 CO 0.02 -0.36 0.61 -0.76 -0.31 0.00 0.00 175.10 174.30 2gbk s LEU 78 N -3.32 4.53 -0.21 1.32 1.43 -1.26 -2.25 118.68 118.93 2gbk s LEU 78 Ca 0.28 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2gbk s LEU 78 Cb 0.05 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.33 2gbk s LEU 78 CO 0.09 0.25 -0.07 -0.60 0.23 0.00 0.00 176.35 176.25 2gbk s ARG 79 N -1.16 1.76 0.31 1.70 3.52 -0.33 -4.92 118.95 119.83 2gbk s ARG 79 Ca 0.31 -0.84 -0.28 0.00 -0.13 0.00 0.00 55.73 54.79 2gbk s ARG 79 Cb -0.20 -2.41 -0.09 0.00 -1.56 0.00 0.00 34.95 30.68 2gbk s ARG 79 CO 0.20 -0.50 1.02 -0.51 -0.81 0.00 0.00 175.30 174.71 2gbk s LEU 80 N 1.44 4.44 -0.04 -0.88 1.43 -1.26 -4.43 118.68 119.37 2gbk s LEU 80 Ca -0.03 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 2gbk s LEU 80 Cb -0.17 -3.83 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 2gbk s LEU 80 CO -0.07 -0.13 -0.00 -1.14 0.23 0.00 0.00 176.35 175.23 2gbk n ARG 81 N 0.85 2.55 0.01 1.70 0.63 -1.26 -4.90 116.66 116.23 2gbk n ARG 81 Ca 0.01 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.86 2gbk n ARG 81 Cb 0.47 -1.11 -0.13 0.00 0.45 0.00 0.00 32.46 32.14 2gbk n ARG 81 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2gbk h GLY 82 N 0.72 0.01 0.00 5.14 0.00 -2.03 -3.55 103.07 103.37 2gbk h GLY 82 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2gbk h GLY 82 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.17