#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 3.06 0.17 2.12 -2.07 -1.26 -0.41 119.66 121.27 2gbk s GLN 2 Ca 0.00 -0.37 0.07 0.00 -1.82 0.00 0.00 55.36 53.24 2gbk s GLN 2 Cb 0.00 -2.85 -0.04 0.00 -1.09 0.00 0.00 33.01 29.03 2gbk s GLN 2 CO 0.00 0.70 -0.15 0.96 -1.32 0.00 0.00 175.29 175.48 2gbk s ILE 3 N -0.86 1.61 -0.00 3.63 -4.36 -0.64 -0.15 121.20 120.43 2gbk s ILE 3 Ca 0.13 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 2gbk s ILE 3 Cb -0.11 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2gbk s ILE 3 CO 0.02 -0.48 0.02 -0.36 0.24 0.00 0.00 174.94 174.39 2gbk s PHE 4 N -2.53 3.14 -0.06 1.37 0.08 0.61 -0.93 117.98 119.66 2gbk s PHE 4 Ca 0.17 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.34 2gbk s PHE 4 Cb -0.03 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2gbk s PHE 4 CO 0.05 0.49 -0.07 0.08 -0.10 0.00 0.00 175.22 175.68 2gbk s VAL 5 N -1.12 0.75 0.11 -0.44 1.01 0.55 -0.30 120.40 120.96 2gbk s VAL 5 Ca 0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2gbk s VAL 5 Cb -0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2gbk s VAL 5 CO 0.11 0.28 0.18 -1.59 0.00 0.00 0.00 175.10 174.09 2gbk s LYS 6 N 1.06 0.93 0.91 2.72 -2.85 -0.76 -0.56 119.74 121.19 2gbk s LYS 6 Ca -0.08 -1.12 -0.14 0.00 -1.00 0.00 0.00 55.97 53.63 2gbk s LYS 6 Cb -0.14 0.33 0.15 0.00 -2.06 0.00 0.00 37.83 36.10 2gbk s LYS 6 CO -0.01 -0.30 1.22 0.95 0.10 0.00 0.00 175.35 177.31 2gbk s THR 7 N -3.93 1.97 0.65 3.79 -4.23 -1.26 -0.74 115.64 111.90 2gbk s THR 7 Ca 0.12 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.46 2gbk s THR 7 Cb 0.05 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 2gbk s THR 7 CO -0.06 0.00 1.20 -0.76 -0.54 0.00 0.00 174.62 174.46 2gbk s LEU 8 N -5.88 3.51 0.17 4.79 1.43 -1.26 -4.82 118.68 116.61 2gbk s LEU 8 Ca 0.67 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 2gbk s LEU 8 Cb -0.09 -4.59 0.11 0.00 0.03 0.00 0.00 46.19 41.66 2gbk s LEU 8 CO 0.52 -1.83 1.72 0.74 0.23 0.00 0.00 176.35 177.73 2gbk h THR 9 N 0.37 0.77 -0.18 5.49 2.02 -1.99 -1.67 112.91 117.72 2gbk h THR 9 Ca -0.49 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2gbk h THR 9 Cb 1.29 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2gbk h THR 9 CO 0.53 0.03 -0.00 0.06 0.37 0.00 0.00 175.52 176.51 2gbk h GLN 10 N 0.19 0.25 -0.12 6.66 -0.00 -1.99 0.32 115.11 120.43 2gbk h GLN 10 Ca 0.20 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.78 2gbk h GLN 10 Cb 0.25 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.68 2gbk h GLN 10 CO -0.27 0.29 -0.06 0.28 -0.00 0.00 0.00 178.83 179.06 2gbk h VAL 11 N 0.25 1.32 -0.62 1.86 2.07 -1.74 -2.90 116.25 116.49 2gbk h VAL 11 Ca 0.06 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2gbk h VAL 11 Cb 0.18 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2gbk h VAL 11 CO 0.00 0.32 0.22 0.03 0.02 0.00 0.00 177.57 178.16 2gbk h ARG 12 N -0.10 0.93 -0.93 1.57 3.08 -0.77 -0.90 114.38 117.26 2gbk h ARG 12 Ca 0.03 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.94 2gbk h ARG 12 Cb 0.53 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2gbk h ARG 12 CO 0.02 0.78 0.61 1.49 -1.07 0.00 0.00 179.97 181.81 2gbk h GLU 13 N 0.91 1.16 0.00 0.04 4.57 -0.36 0.90 114.58 121.80 2gbk h GLU 13 Ca 0.21 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2gbk h GLU 13 Cb 0.22 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2gbk h GLU 13 CO -0.01 0.77 -0.14 1.25 -1.18 0.00 0.00 179.01 179.69 2gbk h LEU 14 N 1.20 0.00 -0.74 1.64 5.85 -1.29 -3.42 115.31 118.55 2gbk h LEU 14 Ca 0.36 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2gbk h LEU 14 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2gbk h LEU 14 CO -0.10 0.69 -0.34 1.33 -0.34 0.00 0.00 178.44 179.68 2gbk n VAL 15 N -4.70 0.00 -4.25 1.05 0.24 -0.36 -5.10 118.33 105.20 2gbk n VAL 15 Ca -0.05 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2gbk n VAL 15 Cb 0.17 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.10 -0.22 0.00 7.63 0.00 0.31 -4.99 105.19 109.02 2gbk n GLY 16 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.96 3.67 -0.02 0.00 -1.26 -4.36 105.19 105.18 2gbk n GLY 17 Ca 0.00 -2.15 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.79 2.32 -0.16 1.61 1.02 -1.26 -5.07 119.74 116.41 2gbk s LYS 18 Ca 0.00 -1.48 -0.20 0.00 0.02 0.00 0.00 55.97 54.32 2gbk s LYS 18 Cb 0.00 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 2gbk s LYS 18 CO 0.00 0.27 0.56 0.99 -0.92 0.00 0.00 175.35 176.25 2gbk s THR 19 N -2.37 5.10 -0.03 2.17 2.01 -1.26 -4.74 115.64 116.53 2gbk s THR 19 Ca 0.34 1.07 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 2gbk s THR 19 Cb -0.05 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2gbk s THR 19 CO 0.21 0.21 0.38 -0.63 -0.69 0.00 0.00 174.62 174.09 2gbk s ILE 20 N 1.32 5.10 -0.20 1.82 1.09 0.28 -4.90 121.20 125.71 2gbk s ILE 20 Ca 0.27 0.76 -0.08 0.00 -1.10 0.00 0.00 60.65 60.50 2gbk s ILE 20 Cb -0.16 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2gbk s ILE 20 CO 0.11 0.56 0.08 -0.89 -0.10 0.00 0.00 174.94 174.70 2gbk s THR 21 N -0.90 4.86 -0.11 2.92 2.01 -1.26 -0.33 115.64 122.83 2gbk s THR 21 Ca 0.22 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2gbk s THR 21 Cb -0.16 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 2gbk s THR 21 CO 0.12 0.43 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.56 2gbk s LEU 22 N 0.57 2.57 -0.41 4.42 1.43 -0.11 -4.98 118.68 122.18 2gbk s LEU 22 Ca 0.04 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2gbk s LEU 22 Cb -0.13 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.56 2gbk s LEU 22 CO 0.01 0.20 0.96 -1.61 0.23 0.00 0.00 176.35 176.14 2gbk s GLU 23 N 0.13 3.73 0.36 1.70 2.02 -1.26 -1.62 118.70 123.76 2gbk s GLU 23 Ca -0.08 0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.40 2gbk s GLU 23 Cb -0.15 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2gbk s GLU 23 CO 0.05 -1.10 0.09 0.14 0.02 0.00 0.00 175.26 174.47 2gbk s VAL 24 N 3.70 0.85 0.16 2.63 -7.23 0.45 -5.02 120.40 115.93 2gbk s VAL 24 Ca 0.39 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2gbk s VAL 24 Cb -0.11 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2gbk s VAL 24 CO 0.23 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.19 2gbk s GLU 25 N -3.83 1.33 0.47 4.82 0.41 -1.26 -3.42 118.70 117.22 2gbk s GLU 25 Ca 0.31 -1.38 0.21 0.00 -0.41 0.00 0.00 54.97 53.69 2gbk s GLU 25 Cb 0.06 -1.56 1.23 0.00 -1.78 0.00 0.00 34.13 32.07 2gbk s GLU 25 CO 0.15 0.34 1.93 -1.35 -0.49 0.00 0.00 175.26 175.84 2gbk h PRO 26 N 3.49 0.22 -0.01 0.39 0.11 -1.95 -1.88 132.00 132.36 2gbk h PRO 26 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gbk h PRO 26 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gbk h PRO 26 CO 0.46 0.14 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.16 2gbk n SER 27 N -4.42 0.88 -4.73 -2.05 3.41 -1.26 -1.88 113.62 103.57 2gbk n SER 27 Ca 0.14 -0.99 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 2gbk n SER 27 Cb 0.64 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.28 6.58 0.84 4.04 1.11 -0.71 -4.76 116.67 121.50 2gbk s ASP 28 Ca 0.33 2.68 -0.12 0.00 0.18 0.00 0.00 52.55 55.62 2gbk s ASP 28 Cb 0.20 -2.61 0.10 0.00 1.07 0.00 0.00 42.92 41.68 2gbk s ASP 28 CO 0.43 -0.79 1.11 0.42 1.18 0.00 0.00 175.17 177.52 2gbk s THR 29 N 0.60 2.67 0.29 -1.27 -4.23 -1.26 -1.14 115.64 111.29 2gbk s THR 29 Ca 0.65 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.42 2gbk s THR 29 Cb -0.44 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.53 2gbk s THR 29 CO 0.37 -0.28 1.73 0.40 -0.54 0.00 0.00 174.62 176.30 2gbk h ILE 30 N -1.27 1.27 -0.19 2.99 1.08 -0.91 -2.24 117.51 118.24 2gbk h ILE 30 Ca -0.48 -1.28 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 2gbk h ILE 30 Cb 1.29 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 2gbk h ILE 30 CO 0.60 0.40 -0.16 1.05 -0.69 0.00 0.00 178.15 179.35 2gbk h GLU 31 N 0.36 0.31 -0.33 2.37 4.11 -1.80 -1.16 114.58 118.44 2gbk h GLU 31 Ca 0.05 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2gbk h GLU 31 Cb 0.68 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2gbk h GLU 31 CO 0.05 0.48 0.17 -0.91 0.07 0.00 0.00 179.01 178.87 2gbk h ASN 32 N 0.29 0.43 -0.51 3.06 -0.26 -1.74 -2.52 115.58 114.33 2gbk h ASN 32 Ca 0.05 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 2gbk h ASN 32 Cb 0.46 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2gbk h ASN 32 CO 0.03 0.41 0.19 0.58 -1.06 0.00 0.00 177.43 177.58 2gbk h VAL 33 N 0.41 1.22 -0.36 2.81 2.07 -1.00 -1.88 116.25 119.52 2gbk h VAL 33 Ca 0.12 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2gbk h VAL 33 Cb 0.09 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2gbk h VAL 33 CO -0.02 0.26 0.00 0.11 0.02 0.00 0.00 177.57 177.94 2gbk h LYS 34 N 0.68 0.56 -0.45 1.57 1.57 -1.23 -1.55 116.57 117.72 2gbk h LYS 34 Ca 0.17 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2gbk h LYS 34 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2gbk h LYS 34 CO -0.01 0.58 -0.09 0.00 -0.57 0.00 0.00 179.45 179.36 2gbk h ALA 35 N 1.47 1.00 -0.54 3.86 0.00 -1.14 0.48 119.26 124.39 2gbk h ALA 35 Ca 0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2gbk h ALA 35 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gbk h ALA 35 CO 0.01 0.60 0.01 0.87 0.00 0.00 0.00 179.25 180.74 2gbk h LYS 36 N 0.72 0.91 -0.54 0.00 1.57 -0.81 0.13 116.57 118.55 2gbk h LYS 36 Ca 0.13 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2gbk h LYS 36 Cb 0.57 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2gbk h LYS 36 CO 0.03 0.90 0.11 0.82 -0.57 0.00 0.00 179.45 180.74 2gbk h ILE 37 N 0.84 1.25 -0.38 1.86 2.04 -1.08 -1.61 117.51 120.44 2gbk h ILE 37 Ca 0.16 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.12 2gbk h ILE 37 Cb 0.49 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2gbk h ILE 37 CO 0.02 0.33 0.21 -0.61 0.00 0.00 0.00 178.15 178.11 2gbk h GLN 38 N 0.78 0.41 -0.58 2.37 4.15 -0.54 0.37 115.11 122.06 2gbk h GLN 38 Ca 0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2gbk h GLN 38 Cb 0.38 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 2gbk h GLN 38 CO 0.01 0.27 0.36 0.22 -1.93 0.00 0.00 178.83 177.76 2gbk h ASP 39 N 0.42 0.68 0.02 -0.69 3.58 -0.58 0.46 116.42 120.32 2gbk h ASP 39 Ca 0.15 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2gbk h ASP 39 Cb 0.03 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2gbk h ASP 39 CO -0.09 0.52 -0.01 0.50 -2.88 0.00 0.00 179.24 177.28 2gbk h LYS 40 N 0.79 -0.03 0.00 0.28 1.63 -0.86 -3.41 116.57 114.97 2gbk h LYS 40 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2gbk h LYS 40 Cb -0.05 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2gbk h LYS 40 CO -0.04 0.67 -0.77 0.39 -3.45 0.00 0.00 179.45 176.24 2gbk n GLU 41 N -4.70 2.42 -0.99 1.90 -0.58 0.13 -5.00 120.64 113.81 2gbk n GLU 41 Ca -0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2gbk n GLU 41 Cb 0.34 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 1.38 0.81 3.67 0.62 0.00 0.16 -5.00 105.19 106.83 2gbk n GLY 42 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.26 4.72 0.22 -0.61 1.01 -1.26 -4.97 121.20 117.06 2gbk s ILE 43 Ca 0.00 2.02 -0.32 0.00 0.00 0.00 0.00 60.65 62.36 2gbk s ILE 43 Cb 0.00 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.04 2gbk s ILE 43 CO 0.00 -0.10 1.63 -2.65 0.00 0.00 0.00 174.94 173.82 2gbk n PRO 44 N 5.80 2.57 0.08 2.79 -0.02 -1.26 -4.06 135.00 140.89 2gbk n PRO 44 Ca 0.11 0.92 0.06 0.00 -2.02 0.00 0.00 63.50 62.57 2gbk n PRO 44 Cb 0.47 -2.72 0.51 0.00 -0.02 0.00 0.00 33.50 31.74 2gbk n PRO 44 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gbk h PRO 45 N 5.84 0.34 -0.70 0.52 0.11 -1.94 -1.75 132.00 134.42 2gbk h PRO 45 Ca -0.45 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2gbk h PRO 45 Cb 1.22 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2gbk h PRO 45 CO 0.88 0.22 0.46 0.22 -0.21 0.00 0.00 178.00 179.58 2gbk h ASP 46 N 0.35 0.44 -0.20 -2.05 3.58 -1.97 -1.15 116.42 115.42 2gbk h ASP 46 Ca 0.12 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2gbk h ASP 46 Cb 0.04 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2gbk h ASP 46 CO -0.03 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.59 2gbk n GLN 47 N -4.48 2.09 -3.58 0.28 1.13 -0.67 -4.89 117.38 107.26 2gbk n GLN 47 Ca 0.12 -1.63 -0.36 0.00 -1.94 0.00 0.00 57.00 53.19 2gbk n GLN 47 Cb 0.42 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.25 2gbk n GLN 47 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2gbk s GLN 48 N -1.76 3.79 -0.04 -1.09 -0.21 -0.44 -1.06 119.66 118.86 2gbk s GLN 48 Ca 0.34 0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.98 2gbk s GLN 48 Cb 0.20 -3.13 0.02 0.00 1.00 0.00 0.00 33.01 31.10 2gbk s GLN 48 CO 0.30 0.65 -0.04 1.03 -2.12 0.00 0.00 175.29 175.11 2gbk s ARG 49 N -1.41 0.69 -0.05 2.91 1.81 -0.70 -4.86 118.95 117.33 2gbk s ARG 49 Ca 0.26 -0.08 -0.02 0.00 -1.72 0.00 0.00 55.73 54.18 2gbk s ARG 49 Cb -0.15 -0.72 -0.04 0.00 -0.45 0.00 0.00 34.95 33.59 2gbk s ARG 49 CO 0.14 -0.07 0.07 -0.51 -0.68 0.00 0.00 175.30 174.25 2gbk s LEU 50 N 0.84 3.92 -0.06 2.53 1.43 -1.26 -1.56 118.68 124.52 2gbk s LEU 50 Ca -0.11 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2gbk s LEU 50 Cb -0.13 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2gbk s LEU 50 CO -0.00 0.33 -0.15 -0.63 0.23 0.00 0.00 176.35 176.13 2gbk s ILE 51 N -1.08 1.28 -0.07 -0.59 -1.09 0.38 -2.08 121.20 117.94 2gbk s ILE 51 Ca 0.19 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 2gbk s ILE 51 Cb -0.12 -1.13 0.02 0.00 -1.58 0.00 0.00 42.46 39.65 2gbk s ILE 51 CO 0.09 0.38 -0.07 0.12 -1.23 0.00 0.00 174.94 174.23 2gbk s PHE 52 N 0.35 1.16 -1.42 3.97 5.36 -0.75 -0.98 117.98 125.68 2gbk s PHE 52 Ca -0.10 -0.45 -0.08 0.00 -0.96 0.00 0.00 56.93 55.35 2gbk s PHE 52 Cb -0.14 -0.96 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 2gbk s PHE 52 CO 0.03 -0.32 0.59 0.00 -1.46 0.00 0.00 175.22 174.06 2gbk n ALA 53 N 4.34 -1.05 0.00 11.12 0.00 -1.26 -1.91 120.51 131.75 2gbk n ALA 53 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gbk n ALA 53 Cb 0.51 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 -1.37 2.82 3.79 0.00 0.00 -1.26 -5.03 105.19 104.13 2gbk n GLY 54 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2gbk n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gbk s LYS 55 N -0.50 3.10 0.25 1.61 -2.85 -0.80 -5.07 119.74 115.47 2gbk s LYS 55 Ca 0.00 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 2gbk s LYS 55 Cb 0.00 -2.89 -0.09 0.00 -2.06 0.00 0.00 37.83 32.79 2gbk s LYS 55 CO 0.00 0.66 1.09 -1.14 0.10 0.00 0.00 175.35 176.05 2gbk s GLN 56 N -1.69 4.65 -0.10 1.78 0.74 -1.26 -1.81 119.66 121.97 2gbk s GLN 56 Ca 0.22 1.76 -0.09 0.00 0.05 0.00 0.00 55.36 57.30 2gbk s GLN 56 Cb -0.12 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 2gbk s GLN 56 CO 0.13 0.20 0.20 -0.51 -0.55 0.00 0.00 175.29 174.77 2gbk s LEU 57 N -1.13 4.40 -0.04 3.68 1.43 -0.88 -4.96 118.68 121.17 2gbk s LEU 57 Ca 0.46 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2gbk s LEU 57 Cb -0.31 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2gbk s LEU 57 CO 0.39 0.37 0.13 -1.83 0.23 0.00 0.00 176.35 175.64 2gbk s GLU 58 N -0.93 3.31 0.24 1.70 -1.05 -1.26 -4.71 118.70 116.00 2gbk s GLU 58 Ca 0.17 -0.32 -0.05 0.00 -0.15 0.00 0.00 54.97 54.62 2gbk s GLU 58 Cb -0.13 -3.04 0.34 0.00 -0.44 0.00 0.00 34.13 30.86 2gbk s GLU 58 CO 0.06 0.70 1.85 -0.44 0.95 0.00 0.00 175.26 178.38 2gbk h ASP 59 N 4.30 0.86 0.97 0.83 3.32 -1.99 -2.51 116.42 122.19 2gbk h ASP 59 Ca -0.51 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 2gbk h ASP 59 Cb 1.20 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2gbk h ASP 59 CO 0.63 0.55 -0.05 1.23 -1.72 0.00 0.00 179.24 179.88 2gbk h GLY 60 N 0.99 0.00 -1.85 2.75 0.00 -1.97 -2.76 103.07 100.23 2gbk h GLY 60 Ca 0.38 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.25 2gbk h GLY 60 CO -0.17 0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.23 2gbk s ARG 61 N -3.69 4.00 0.58 4.80 1.81 -0.95 -4.82 118.95 120.68 2gbk s ARG 61 Ca 0.01 1.03 -0.02 0.00 -1.72 0.00 0.00 55.73 55.03 2gbk s ARG 61 Cb 0.09 -2.14 0.03 0.00 -0.45 0.00 0.00 34.95 32.48 2gbk s ARG 61 CO 0.56 -0.23 0.83 0.95 -0.68 0.00 0.00 175.30 176.74 2gbk s THR 62 N -2.46 2.87 0.28 0.02 -4.23 -1.26 -1.29 115.64 109.57 2gbk s THR 62 Ca 0.60 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2gbk s THR 62 Cb -0.10 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.84 2gbk s THR 62 CO 0.26 -0.10 1.90 -0.07 -0.54 0.00 0.00 174.62 176.06 2gbk h LEU 63 N -0.08 0.95 -1.39 4.79 3.38 -1.17 -2.75 115.31 119.03 2gbk h LEU 63 Ca -0.44 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 2gbk h LEU 63 Cb 1.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2gbk h LEU 63 CO 0.56 0.76 -0.30 0.28 0.09 0.00 0.00 178.44 179.83 2gbk h SER 64 N 1.07 0.00 -0.58 -0.43 0.02 -1.61 -1.69 113.55 110.33 2gbk h SER 64 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2gbk h SER 64 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2gbk h SER 64 CO -0.04 0.30 0.37 0.44 -1.14 0.00 0.00 176.83 176.76 2gbk h ASP 65 N 0.00 0.68 -0.29 3.07 3.32 -1.78 -2.15 116.42 119.27 2gbk h ASP 65 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2gbk h ASP 65 Cb 0.54 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2gbk h ASP 65 CO 0.04 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.85 2gbk n TYR 66 N -4.43 0.37 -3.26 4.55 4.01 -0.94 -4.95 117.16 112.51 2gbk n TYR 66 Ca 0.06 -0.19 -0.24 0.00 -0.16 0.00 0.00 57.90 57.37 2gbk n TYR 66 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.85 -5.18 -4.63 7.72 4.13 -0.81 -4.95 115.26 112.39 2gbk n ASN 67 Ca 0.17 -0.38 -0.43 0.00 1.68 0.00 0.00 54.58 55.62 2gbk n ASN 67 Cb 0.44 -4.20 -0.02 0.00 -1.54 0.00 0.00 39.78 34.46 2gbk n ASN 67 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2gbk s ILE 68 N -3.11 4.45 0.40 2.41 1.01 -0.68 -5.02 121.20 120.67 2gbk s ILE 68 Ca 0.39 1.56 0.04 0.00 0.00 0.00 0.00 60.65 62.64 2gbk s ILE 68 Cb -0.19 -4.45 0.04 0.00 0.01 0.00 0.00 42.46 37.87 2gbk s ILE 68 CO 0.48 -0.60 0.30 0.00 0.00 0.00 0.00 174.94 175.12 2gbk n GLN 69 N 7.07 0.90 -1.60 2.79 10.64 -1.26 -4.55 117.38 131.37 2gbk n GLN 69 Ca 0.11 -2.51 -0.48 0.00 -1.83 0.00 0.00 57.00 52.29 2gbk n GLN 69 Cb 0.48 0.27 -0.04 0.00 -0.86 0.00 0.00 30.24 30.09 2gbk n GLN 69 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2gbk n LYS 70 N -1.44 1.36 -1.50 2.61 2.85 -1.26 -2.04 118.16 118.75 2gbk n LYS 70 Ca -0.02 0.49 -0.17 0.00 -1.05 0.00 0.00 58.31 57.56 2gbk n LYS 70 Cb 0.46 -2.01 -0.07 0.00 -0.65 0.00 0.00 35.03 32.75 2gbk n LYS 70 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gbk n GLU 71 N 1.77 -1.19 -2.15 -1.58 1.02 0.79 -4.99 120.64 114.30 2gbk n GLU 71 Ca 0.14 1.10 -0.34 0.00 -0.02 0.00 0.00 57.16 58.05 2gbk n GLU 71 Cb 0.26 -5.33 0.01 0.00 -0.02 0.00 0.00 31.44 26.36 2gbk n GLU 71 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gbk s SER 72 N -2.82 5.74 -0.16 1.62 0.01 -0.87 -4.76 113.70 112.46 2gbk s SER 72 Ca 0.00 1.98 -0.02 0.00 1.31 0.00 0.00 55.95 59.22 2gbk s SER 72 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2gbk s SER 72 CO 0.00 -1.20 -0.09 -0.89 0.41 0.00 0.00 173.24 171.47 2gbk s THR 73 N -2.13 3.31 0.10 1.44 2.01 -1.26 -0.29 115.64 118.82 2gbk s THR 73 Ca 0.68 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2gbk s THR 73 Cb -0.19 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 2gbk s THR 73 CO 0.31 0.49 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.97 2gbk s LEU 74 N 0.64 3.45 -0.13 4.42 1.43 0.59 -4.78 118.68 124.29 2gbk s LEU 74 Ca -0.05 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2gbk s LEU 74 Cb -0.15 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2gbk s LEU 74 CO 0.03 0.17 0.05 -1.00 0.23 0.00 0.00 176.35 175.83 2gbk s HIS 75 N -1.34 3.28 -0.12 0.29 3.76 -0.15 -1.83 115.29 119.19 2gbk s HIS 75 Ca 0.26 0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 55.34 2gbk s HIS 75 Cb -0.12 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 2gbk s HIS 75 CO 0.18 0.39 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.25 2gbk s LEU 76 N -0.39 3.27 0.08 0.89 2.96 0.08 -0.47 118.68 125.11 2gbk s LEU 76 Ca 0.09 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2gbk s LEU 76 Cb -0.12 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2gbk s LEU 76 CO 0.02 0.25 -0.06 0.68 -1.32 0.00 0.00 176.35 175.92 2gbk s VAL 77 N -0.13 0.57 0.18 1.68 -7.23 -0.60 -4.29 120.40 110.58 2gbk s VAL 77 Ca 0.03 -1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 2gbk s VAL 77 Cb -0.13 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 2gbk s VAL 77 CO 0.02 -0.85 0.68 -0.76 -0.31 0.00 0.00 175.10 173.89 2gbk s LEU 78 N -2.85 4.40 -0.19 1.32 1.43 -1.26 -1.72 118.68 119.80 2gbk s LEU 78 Ca 0.08 1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 2gbk s LEU 78 Cb 0.04 -3.41 0.06 0.00 0.03 0.00 0.00 46.19 42.91 2gbk s LEU 78 CO -0.05 0.10 0.07 -0.60 0.23 0.00 0.00 176.35 176.09 2gbk s ARG 79 N -1.76 0.35 0.12 1.70 3.52 -0.22 -4.89 118.95 117.77 2gbk s ARG 79 Ca 0.39 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.40 2gbk s ARG 79 Cb -0.18 -1.91 -0.06 0.00 -1.56 0.00 0.00 34.95 31.24 2gbk s ARG 79 CO 0.21 -0.69 1.01 -0.51 -0.81 0.00 0.00 175.30 174.51 2gbk s LEU 80 N 2.00 4.49 -0.07 -0.88 1.43 -1.26 -4.36 118.68 120.02 2gbk s LEU 80 Ca 0.01 1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 2gbk s LEU 80 Cb -0.17 -3.59 -0.29 0.00 0.03 0.00 0.00 46.19 42.17 2gbk s LEU 80 CO -0.11 -0.13 0.71 -0.09 0.23 0.00 0.00 176.35 176.96 2gbk h ARG 81 N 5.55 0.30 0.00 1.70 9.65 -1.97 -3.52 114.38 126.09 2gbk h ARG 81 Ca -0.43 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 57.94 2gbk h ARG 81 Cb 1.21 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2gbk h ARG 81 CO 0.73 1.24 0.00 0.41 2.80 0.00 0.00 179.97 185.15