#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr s GLN 2 N 0.00 3.20 -0.02 3.17 -1.52 -1.26 -1.93 119.66 121.30 1otr s GLN 2 Ca 0.00 1.85 0.01 0.00 -1.95 0.00 0.00 55.36 55.27 1otr s GLN 2 Cb 0.00 -2.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 1otr s GLN 2 CO 0.00 -1.03 -0.03 0.96 -0.25 0.00 0.00 175.29 174.94 1otr s ILE 3 N -1.56 0.32 0.29 1.08 -4.36 0.23 -0.44 121.20 116.76 1otr s ILE 3 Ca 0.73 -0.09 -0.28 0.00 -0.26 0.00 0.00 60.65 60.76 1otr s ILE 3 Cb -0.31 -0.33 -0.09 0.00 1.25 0.00 0.00 42.46 42.97 1otr s ILE 3 CO 0.35 0.14 0.95 -0.36 0.24 0.00 0.00 174.94 176.25 1otr s PHE 4 N 0.44 3.80 -0.43 1.37 0.40 0.32 -1.80 117.98 122.08 1otr s PHE 4 Ca -0.05 1.83 0.05 0.00 -0.60 0.00 0.00 56.93 58.17 1otr s PHE 4 Cb -0.08 -2.96 0.19 0.00 0.51 0.00 0.00 43.02 40.68 1otr s PHE 4 CO -0.01 0.26 0.41 0.28 0.70 0.00 0.00 175.22 176.86 1otr n VAL 5 N 0.94 -0.79 -2.44 -0.44 0.31 0.11 -0.42 118.33 115.60 1otr n VAL 5 Ca 0.00 -3.72 -0.42 0.00 -0.01 0.00 0.00 64.34 60.19 1otr n VAL 5 Cb 0.49 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 1otr n VAL 5 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1otr s LYS 6 N -0.42 4.33 0.47 5.55 2.20 0.83 -1.52 119.74 131.18 1otr s LYS 6 Ca 0.33 1.69 -0.21 0.00 -0.36 0.00 0.00 55.97 57.43 1otr s LYS 6 Cb 0.07 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 1otr s LYS 6 CO -0.17 -0.48 1.04 0.95 -0.36 0.00 0.00 175.35 176.33 1otr s THR 7 N 2.35 3.78 0.36 3.43 -4.23 -0.03 -0.88 115.64 120.42 1otr s THR 7 Ca 0.56 1.16 0.12 0.00 -1.18 0.00 0.00 61.69 62.35 1otr s THR 7 Cb -0.25 -3.50 0.34 0.00 1.34 0.00 0.00 72.50 70.44 1otr s THR 7 CO 0.22 -0.19 1.80 0.25 -0.54 0.00 0.00 174.62 176.15 1otr h LEU 8 N 1.76 0.60 0.39 4.79 5.85 -0.91 -2.13 115.31 125.66 1otr h LEU 8 Ca -0.49 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1otr h LEU 8 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1otr h LEU 8 CO 0.60 0.20 -0.19 0.71 -0.34 0.00 0.00 178.44 179.42 1otr h THR 9 N 0.57 0.50 0.00 1.05 1.35 -1.86 -3.48 112.91 111.04 1otr h THR 9 Ca 0.55 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1otr h THR 9 Cb 1.13 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1otr h THR 9 CO -0.31 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.66 1otr n GLY 10 N -0.25 1.21 3.65 5.82 0.00 -0.80 -5.13 105.19 109.69 1otr n GLY 10 Ca -0.10 -0.09 -0.50 0.00 0.00 0.00 0.00 46.02 45.33 1otr n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1otr n LYS 11 N 0.00 1.69 -3.91 1.61 4.81 -1.26 -4.47 118.16 116.63 1otr n LYS 11 Ca 0.00 0.61 -0.37 0.00 -0.87 0.00 0.00 58.31 57.69 1otr n LYS 11 Cb 0.00 -2.34 -0.07 0.00 0.02 0.00 0.00 35.03 32.64 1otr n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1otr s THR 12 N 1.70 5.37 -0.06 3.15 2.01 -1.26 -0.85 115.64 125.69 1otr s THR 12 Ca 0.86 0.16 0.02 0.00 0.31 0.00 0.00 61.69 63.04 1otr s THR 12 Cb -0.82 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1otr s THR 12 CO 0.47 0.59 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.25 1otr s ILE 13 N -0.81 1.09 -0.13 1.82 1.01 -0.58 -4.97 121.20 118.64 1otr s ILE 13 Ca 0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1otr s ILE 13 Cb -0.12 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1otr s ILE 13 CO 0.03 0.34 0.00 -0.89 0.00 0.00 0.00 174.94 174.43 1otr s THR 14 N 0.66 4.28 0.03 2.92 2.01 -1.26 0.05 115.64 124.33 1otr s THR 14 Ca -0.14 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1otr s THR 14 Cb -0.16 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1otr s THR 14 CO 0.03 0.54 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.62 1otr s LEU 15 N -0.26 2.14 -0.14 4.42 2.01 -0.74 -4.96 118.68 121.16 1otr s LEU 15 Ca 0.06 -0.40 -0.18 0.00 0.01 0.00 0.00 54.13 53.62 1otr s LEU 15 Cb -0.12 -0.55 -0.04 0.00 0.01 0.00 0.00 46.19 45.49 1otr s LEU 15 CO 0.02 0.04 0.50 -0.70 1.01 0.00 0.00 176.35 177.21 1otr s GLU 16 N -0.95 4.31 -0.18 1.70 2.12 -1.26 -0.60 118.70 123.83 1otr s GLU 16 Ca 0.01 0.46 -0.12 0.00 0.36 0.00 0.00 54.97 55.68 1otr s GLU 16 Cb -0.07 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.91 1otr s GLU 16 CO 0.01 0.08 0.44 0.14 -0.54 0.00 0.00 175.26 175.39 1otr s VAL 17 N 0.88 -0.01 0.70 3.70 -7.23 -0.81 -4.96 120.40 112.67 1otr s VAL 17 Ca 0.26 0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.33 1otr s VAL 17 Cb -0.15 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.17 1otr s VAL 17 CO 0.10 0.02 1.15 -0.70 -0.31 0.00 0.00 175.10 175.36 1otr s GLU 18 N 0.92 2.44 0.27 4.82 2.56 -1.26 0.31 118.70 128.76 1otr s GLU 18 Ca -0.05 1.55 0.00 0.00 0.00 0.00 0.00 54.97 56.47 1otr s GLU 18 Cb -0.06 -1.89 0.57 0.00 2.00 0.00 0.00 34.13 34.75 1otr s GLU 18 CO -0.07 -1.55 1.77 0.66 -0.56 0.00 0.00 175.26 175.50 1otr h SER 19 N -0.20 0.61 -0.52 -1.70 4.64 -2.00 0.94 113.55 115.32 1otr h SER 19 Ca -0.47 0.09 -0.31 0.00 -0.47 0.00 0.00 61.79 60.63 1otr h SER 19 Cb 1.27 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 1otr h SER 19 CO 0.52 0.25 0.40 -1.54 -0.87 0.00 0.00 176.83 175.59 1otr n SER 20 N -4.83 5.01 0.00 4.97 3.41 -1.26 -3.44 113.62 117.48 1otr n SER 20 Ca 0.18 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1otr n SER 20 Cb 0.45 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1otr n SER 20 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1otr n ASP 21 N -0.04 0.00 -3.65 4.04 2.03 0.32 -4.94 116.55 114.31 1otr n ASP 21 Ca 0.32 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.59 1otr n ASP 21 Cb 0.84 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.17 1otr n ASP 21 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1otr s THR 22 N 0.00 0.00 0.28 5.18 -1.32 -1.26 -4.51 115.64 114.01 1otr s THR 22 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1otr s THR 22 Cb 0.00 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.26 1otr s THR 22 CO 0.00 0.00 1.81 0.40 -2.21 0.00 0.00 174.62 174.62 1otr h ILE 23 N 3.26 0.85 -0.66 5.08 1.08 -1.47 -0.77 117.51 124.88 1otr h ILE 23 Ca -0.27 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 64.00 1otr h ILE 23 Cb 1.19 -0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 1otr h ILE 23 CO 0.17 0.16 0.27 -0.78 -0.69 0.00 0.00 178.15 177.28 1otr h ASP 24 N 0.88 0.29 -0.92 1.72 1.82 -1.84 -0.32 116.42 118.05 1otr h ASP 24 Ca 0.50 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 57.22 1otr h ASP 24 Cb 0.59 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1otr h ASP 24 CO -0.30 0.16 0.55 -1.13 -1.61 0.00 0.00 179.24 176.90 1otr h ASN 25 N 0.46 1.11 -0.20 2.28 -0.73 -1.55 -1.72 115.58 115.23 1otr h ASN 25 Ca 0.34 -0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.47 1otr h ASN 25 Cb 0.42 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 1otr h ASN 25 CO -0.32 0.86 -0.03 0.58 -0.37 0.00 0.00 177.43 178.15 1otr h VAL 26 N 1.27 0.82 -0.66 2.57 2.07 -0.71 -1.56 116.25 120.05 1otr h VAL 26 Ca 0.33 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 1otr h VAL 26 Cb -0.04 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1otr h VAL 26 CO -0.06 0.00 0.35 0.11 0.02 0.00 0.00 177.57 177.99 1otr h LYS 27 N 0.02 0.92 -0.07 1.57 1.57 -1.03 -1.94 116.57 117.62 1otr h LYS 27 Ca 0.09 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1otr h LYS 27 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1otr h LYS 27 CO -0.19 0.69 -0.03 0.77 -0.57 0.00 0.00 179.45 180.12 1otr h SER 28 N 0.93 -0.10 -0.46 0.86 0.02 -0.42 0.56 113.55 114.94 1otr h SER 28 Ca 0.23 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1otr h SER 28 Cb 0.04 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1otr h SER 28 CO -0.04 -0.04 0.26 0.11 -1.14 0.00 0.00 176.83 175.99 1otr h LYS 29 N -0.02 0.63 -0.97 3.45 1.57 -1.03 -1.82 116.57 118.38 1otr h LYS 29 Ca 0.04 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1otr h LYS 29 Cb 0.08 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 1otr h LYS 29 CO -0.08 0.48 0.64 0.82 -0.57 0.00 0.00 179.45 180.73 1otr h ILE 30 N 0.60 1.13 -0.57 1.86 2.04 -1.03 -1.66 117.51 119.88 1otr h ILE 30 Ca 0.16 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1otr h ILE 30 Cb 0.02 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 35.92 1otr h ILE 30 CO -0.03 0.22 0.29 -0.61 0.00 0.00 0.00 178.15 178.02 1otr h GLN 31 N 1.18 0.80 -0.52 2.37 4.15 -0.30 -1.12 115.11 121.68 1otr h GLN 31 Ca 0.40 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1otr h GLN 31 Cb 0.09 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1otr h GLN 31 CO -0.14 0.64 0.23 0.22 -1.93 0.00 0.00 178.83 177.84 1otr h ASP 32 N 0.77 0.70 0.13 -0.69 3.58 -0.53 0.39 116.42 120.77 1otr h ASP 32 Ca 0.20 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1otr h ASP 32 Cb 0.08 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1otr h ASP 32 CO -0.03 0.66 -0.06 0.11 -2.88 0.00 0.00 179.24 177.04 1otr h LYS 33 N 0.69 -0.17 -0.29 0.28 1.57 -1.15 -3.37 116.57 114.13 1otr h LYS 33 Ca 0.17 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1otr h LYS 33 Cb 0.16 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1otr h LYS 33 CO -0.02 -0.11 -0.27 0.93 -0.57 0.00 0.00 179.45 179.42 1otr h GLU 34 N -0.30 0.70 -0.68 3.15 5.08 -1.33 -3.48 114.58 117.73 1otr h GLU 34 Ca -0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1otr h GLU 34 Cb 0.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1otr h GLU 34 CO 0.03 0.97 0.00 0.41 -1.00 0.00 0.00 179.01 179.42 1otr n GLY 35 N 0.13 0.94 3.45 -3.84 0.00 0.14 -5.06 105.19 100.95 1otr n GLY 35 Ca -0.04 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1otr n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1otr s ILE 36 N -2.61 3.25 0.30 -0.61 1.01 -1.24 -5.05 121.20 116.24 1otr s ILE 36 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 1otr s ILE 36 Cb 0.00 -2.34 -0.14 0.00 0.01 0.00 0.00 42.46 39.99 1otr s ILE 36 CO 0.00 0.55 1.08 -2.65 0.00 0.00 0.00 174.94 173.92 1otr n PRO 37 N 2.95 1.52 -0.29 2.79 -0.02 -1.26 -4.61 135.00 136.08 1otr n PRO 37 Ca -0.18 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 1otr n PRO 37 Cb 0.53 -1.95 0.16 0.00 -0.02 0.00 0.00 33.50 32.21 1otr n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1otr h PRO 38 N 2.19 1.14 -0.45 0.52 0.13 -1.94 -2.60 132.00 131.00 1otr h PRO 38 Ca -0.41 -0.10 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1otr h PRO 38 Cb 1.33 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1otr h PRO 38 CO 0.62 0.80 0.21 -0.44 -0.23 0.00 0.00 178.00 178.95 1otr h ASP 39 N 1.16 0.29 0.48 1.44 3.32 -2.02 -3.15 116.42 117.94 1otr h ASP 39 Ca 0.30 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1otr h ASP 39 Cb -0.06 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1otr h ASP 39 CO -0.06 0.21 -0.23 1.56 -1.72 0.00 0.00 179.24 179.00 1otr h GLN 40 N 0.42 -0.62 -6.98 3.56 7.50 -1.89 -3.45 115.11 113.65 1otr h GLN 40 Ca 0.20 0.04 -0.54 0.00 0.50 0.00 0.00 58.65 58.85 1otr h GLN 40 Cb 0.13 0.14 0.11 0.00 0.05 0.00 0.00 27.48 27.90 1otr h GLN 40 CO -0.15 -0.32 0.68 1.14 -1.50 0.00 0.00 178.83 178.68 1otr s GLN 41 N -4.56 3.79 -0.07 1.46 -2.07 -1.00 -0.66 119.66 116.56 1otr s GLN 41 Ca -0.14 2.35 -0.03 0.00 -1.82 0.00 0.00 55.36 55.72 1otr s GLN 41 Cb 0.02 -2.70 0.04 0.00 -1.09 0.00 0.00 33.01 29.28 1otr s GLN 41 CO 0.47 -0.71 0.13 0.50 -1.32 0.00 0.00 175.29 174.37 1otr s ARG 42 N -2.37 0.05 0.13 9.60 3.52 0.14 -4.85 118.95 125.16 1otr s ARG 42 Ca 0.59 0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 56.35 1otr s ARG 42 Cb -0.42 -0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 32.66 1otr s ARG 42 CO 0.54 -0.23 0.83 -0.51 -0.81 0.00 0.00 175.30 175.13 1otr s LEU 43 N 1.64 4.54 0.01 -0.88 1.43 -1.26 -1.44 118.68 122.72 1otr s LEU 43 Ca -0.04 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 1otr s LEU 43 Cb -0.12 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1otr s LEU 43 CO -0.05 0.09 -0.17 -0.63 0.23 0.00 0.00 176.35 175.81 1otr s ILE 44 N -0.58 1.37 -0.12 -0.59 1.01 0.42 -1.39 121.20 121.32 1otr s ILE 44 Ca 0.39 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1otr s ILE 44 Cb -0.23 -1.17 0.11 0.00 0.01 0.00 0.00 42.46 41.18 1otr s ILE 44 CO 0.27 0.25 0.88 0.12 0.00 0.00 0.00 174.94 176.46 1otr s PHE 45 N -0.59 -0.48 -1.38 3.97 5.36 -0.23 -1.91 117.98 122.71 1otr s PHE 45 Ca 0.06 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 56.81 1otr s PHE 45 Cb -0.07 0.43 0.02 0.00 -0.34 0.00 0.00 43.02 43.06 1otr s PHE 45 CO 0.00 -0.44 0.34 0.00 -1.46 0.00 0.00 175.22 173.66 1otr n ALA 46 N 0.80 -0.91 -2.47 11.12 0.00 -1.26 -1.11 120.51 126.69 1otr n ALA 46 Ca -0.14 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1otr n ALA 46 Cb 0.58 -2.73 0.01 0.00 0.00 0.00 0.00 19.45 17.30 1otr n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1otr n GLY 47 N -1.17 -0.10 3.62 0.00 0.00 -1.26 -5.00 105.19 101.28 1otr n GLY 47 Ca -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1otr n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1otr s LYS 48 N -4.92 0.36 0.21 1.61 0.00 -0.26 -5.14 119.74 111.60 1otr s LYS 48 Ca 0.09 0.22 -0.32 0.00 0.00 0.00 0.00 55.97 55.95 1otr s LYS 48 Cb -0.04 0.17 -0.12 0.00 0.00 0.00 0.00 37.83 37.84 1otr s LYS 48 CO 0.11 -0.08 1.68 0.00 0.00 0.00 0.00 175.35 177.06 1otr n GLN 49 N 1.23 2.65 -2.55 1.78 10.64 -1.26 -1.07 117.38 128.79 1otr n GLN 49 Ca -0.09 0.95 -0.41 0.00 -1.83 0.00 0.00 57.00 55.63 1otr n GLN 49 Cb 0.57 -2.78 -0.04 0.00 -0.86 0.00 0.00 30.24 27.14 1otr n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1otr s LEU 50 N 0.97 4.49 0.20 2.61 1.43 -0.48 -4.87 118.68 123.02 1otr s LEU 50 Ca 0.75 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.57 1otr s LEU 50 Cb -0.54 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.99 1otr s LEU 50 CO 0.35 -0.20 1.32 -1.61 0.23 0.00 0.00 176.35 176.43 1otr s GLU 51 N -0.22 4.38 0.42 1.70 2.02 -1.26 -4.79 118.70 120.95 1otr s GLU 51 Ca 0.49 2.07 -0.25 0.00 0.02 0.00 0.00 54.97 57.30 1otr s GLU 51 Cb -0.28 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.68 1otr s GLU 51 CO 0.34 -0.26 1.22 -0.51 0.02 0.00 0.00 175.26 176.07 1otr s ASP 52 N 0.35 6.32 0.00 -0.19 1.11 -1.26 -2.92 116.67 120.08 1otr s ASP 52 Ca 0.57 2.47 0.00 0.00 0.18 0.00 0.00 52.55 55.77 1otr s ASP 52 Cb -0.37 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.00 1otr s ASP 52 CO 0.38 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.52 1otr n GLY 53 N 0.63 2.80 3.73 0.21 0.00 -1.26 -4.76 105.19 106.53 1otr n GLY 53 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1otr n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1otr s ARG 54 N -0.09 4.25 0.53 1.61 6.06 -1.15 -4.49 118.95 125.68 1otr s ARG 54 Ca 0.00 2.31 -0.20 0.00 -2.50 0.00 0.00 55.73 55.34 1otr s ARG 54 Cb 0.00 -3.14 -0.06 0.00 0.06 0.00 0.00 34.95 31.82 1otr s ARG 54 CO 0.00 -0.50 1.14 0.95 -2.50 0.00 0.00 175.30 174.40 1otr s THR 55 N 0.51 3.11 0.21 4.11 -4.23 -1.26 -1.42 115.64 116.66 1otr s THR 55 Ca 0.64 0.71 -0.09 0.00 -1.18 0.00 0.00 61.69 61.77 1otr s THR 55 Cb -0.42 -3.30 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1otr s THR 55 CO 0.38 -0.13 1.82 -0.07 -0.54 0.00 0.00 174.62 176.08 1otr h LEU 56 N 1.32 0.60 -1.42 4.79 3.38 -1.79 -2.25 115.31 119.94 1otr h LEU 56 Ca -0.50 0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.66 1otr h LEU 56 Cb 1.26 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 1otr h LEU 56 CO 0.57 0.39 0.57 0.77 0.09 0.00 0.00 178.44 180.83 1otr h SER 57 N 0.73 0.52 -0.06 -0.43 4.64 -1.87 -2.30 113.55 114.78 1otr h SER 57 Ca 0.30 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1otr h SER 57 Cb 0.16 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1otr h SER 57 CO -0.17 0.24 -0.15 0.44 -0.87 0.00 0.00 176.83 176.32 1otr h ASP 58 N 0.54 -0.46 0.00 4.97 3.32 -1.76 0.13 116.42 123.15 1otr h ASP 58 Ca 0.44 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1otr h ASP 58 Cb 0.90 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1otr h ASP 58 CO -0.18 -0.20 0.00 -1.22 -1.72 0.00 0.00 179.24 175.91 1otr n TYR 59 N -5.29 0.00 -3.63 4.55 4.02 -0.91 -4.83 117.16 111.07 1otr n TYR 59 Ca -0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.58 1otr n TYR 59 Cb 0.21 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1otr n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1otr n ASN 60 N -0.33 -4.04 -4.69 7.72 4.13 0.03 -4.84 115.26 113.24 1otr n ASN 60 Ca 0.00 -0.59 -0.42 0.00 1.68 0.00 0.00 54.58 55.25 1otr n ASN 60 Cb 0.08 -3.30 -0.03 0.00 -1.54 0.00 0.00 39.78 35.00 1otr n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1otr s ILE 61 N -3.09 2.80 0.32 2.41 1.01 -0.95 -4.99 121.20 118.71 1otr s ILE 61 Ca 0.52 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 61.29 1otr s ILE 61 Cb -0.27 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1otr s ILE 61 CO 0.64 -0.00 0.77 0.00 0.00 0.00 0.00 174.94 176.35 1otr s GLN 62 N 2.67 4.11 0.34 2.79 -2.07 -1.26 -4.82 119.66 121.42 1otr s GLN 62 Ca 0.77 0.80 -0.26 0.00 -1.82 0.00 0.00 55.36 54.85 1otr s GLN 62 Cb -0.43 -2.51 -0.13 0.00 -1.09 0.00 0.00 33.01 28.86 1otr s GLN 62 CO 0.34 0.19 0.96 1.17 -1.32 0.00 0.00 175.29 176.63 1otr n LYS 63 N -0.14 1.27 -3.49 9.60 4.81 -1.26 -1.98 118.16 126.97 1otr n LYS 63 Ca 0.03 0.45 -0.21 0.00 -0.87 0.00 0.00 58.31 57.70 1otr n LYS 63 Cb 0.53 -1.86 0.07 0.00 0.02 0.00 0.00 35.03 33.79 1otr n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1otr n GLU 64 N 0.56 -7.22 -2.17 1.64 1.02 0.42 -4.94 120.64 109.94 1otr n GLU 64 Ca 0.10 0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 1otr n GLU 64 Cb 0.35 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.14 1otr n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1otr s SER 65 N -3.37 6.84 -1.20 1.62 0.15 -0.84 -4.39 113.70 112.50 1otr s SER 65 Ca 0.49 2.51 -0.19 0.00 0.70 0.00 0.00 55.95 59.46 1otr s SER 65 Cb -0.22 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.54 1otr s SER 65 CO 0.67 -0.54 1.62 -0.89 1.20 0.00 0.00 173.24 175.29 1otr s THR 66 N -0.23 4.15 -0.02 6.45 2.01 -1.26 -0.52 115.64 126.21 1otr s THR 66 Ca 0.55 -1.64 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 1otr s THR 66 Cb -0.38 -5.13 -0.04 0.00 0.01 0.00 0.00 72.50 66.96 1otr s THR 66 CO 0.42 -1.96 0.77 -0.76 -0.69 0.00 0.00 174.62 172.40 1otr s LEU 67 N 4.20 4.36 -0.21 4.42 1.43 0.44 -4.89 118.68 128.44 1otr s LEU 67 Ca 0.50 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 1otr s LEU 67 Cb 0.02 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1otr s LEU 67 CO 0.02 -0.11 0.13 -1.00 0.23 0.00 0.00 176.35 175.63 1otr s HIS 68 N 0.60 3.35 -0.16 0.29 3.76 -0.81 -0.12 115.29 122.20 1otr s HIS 68 Ca 0.40 0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 55.48 1otr s HIS 68 Cb -0.19 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 1otr s HIS 68 CO 0.21 0.18 0.12 -1.17 -0.85 0.00 0.00 174.74 173.24 1otr s LEU 69 N 0.63 4.20 -0.04 0.89 2.96 -0.06 -0.44 118.68 126.82 1otr s LEU 69 Ca 0.07 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1otr s LEU 69 Cb -0.12 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.54 1otr s LEU 69 CO 0.01 0.27 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.61 1otr s VAL 70 N -0.19 0.28 0.21 1.68 1.01 -0.52 -0.21 120.40 122.66 1otr s VAL 70 Ca 0.10 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1otr s VAL 70 Cb -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1otr s VAL 70 CO 0.01 0.18 0.86 -0.76 0.00 0.00 0.00 175.10 175.39 1otr s LEU 71 N 1.10 4.61 -0.01 3.92 2.01 -1.26 -0.68 118.68 128.37 1otr s LEU 71 Ca -0.08 1.80 -0.25 0.00 0.01 0.00 0.00 54.13 55.61 1otr s LEU 71 Cb -0.14 -3.48 -0.19 0.00 0.01 0.00 0.00 46.19 42.40 1otr s LEU 71 CO -0.02 0.17 1.29 -0.09 1.01 0.00 0.00 176.35 178.71 1otr h ARG 72 N 4.18 0.08 -6.55 1.70 2.43 -1.21 -3.44 114.38 111.58 1otr h ARG 72 Ca -0.46 -0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.14 1otr h ARG 72 Cb 1.20 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1otr h ARG 72 CO 0.67 0.55 0.85 -1.17 -1.51 0.00 0.00 179.97 179.36 1otr s LEU 73 N -9.20 4.37 0.00 3.80 2.96 -1.26 -4.76 118.68 114.58 1otr s LEU 73 Ca -0.15 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1otr s LEU 73 Cb 0.02 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1otr s LEU 73 CO 0.69 -0.78 0.00 0.54 -1.32 0.00 0.00 176.35 175.48 1otr n ARG 74 N 4.32 0.00 0.00 1.98 3.00 -1.26 -4.82 116.66 119.87 1otr n ARG 74 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 1otr n ARG 74 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1otr n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1otr n GLY 75 N 0.00 -0.08 0.00 -0.13 0.00 -1.26 -4.97 105.19 98.75 1otr n GLY 75 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1otr n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93