#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhn n ASN 3 N 0.00 1.01 -0.00 0.00 4.13 -1.26 -0.91 115.26 118.23 1bhn n ASN 3 Ca 0.00 -1.08 0.02 0.00 1.68 0.00 0.00 54.58 55.20 1bhn n ASN 3 Cb 0.00 0.03 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1bhn n ASN 3 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bhn n SER 4 N -0.41 0.44 -3.21 6.41 7.64 -1.26 -3.64 113.62 119.59 1bhn n SER 4 Ca 0.16 -0.55 -0.31 0.00 1.01 0.00 0.00 58.87 59.19 1bhn n SER 4 Cb 0.31 1.01 -0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1bhn n SER 4 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1bhn n GLU 5 N -1.12 0.00 -3.89 1.43 2.13 -1.16 -4.24 120.64 113.78 1bhn n GLU 5 Ca 0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 1bhn n GLU 5 Cb 0.06 -0.75 -0.12 0.00 0.27 0.00 0.00 31.44 30.91 1bhn n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1bhn s ARG 6 N -0.75 0.25 0.13 5.31 0.52 -1.25 0.47 118.95 123.63 1bhn s ARG 6 Ca 0.44 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1bhn s ARG 6 Cb -0.47 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1bhn s ARG 6 CO 0.47 -0.05 -0.05 -0.08 0.02 0.00 0.00 175.30 175.62 1bhn s THR 7 N -0.76 0.75 -0.46 0.02 -1.32 -0.73 -4.67 115.64 108.46 1bhn s THR 7 Ca -0.08 -1.97 -0.16 0.00 -1.21 0.00 0.00 61.69 58.27 1bhn s THR 7 Cb -0.05 -1.85 0.06 0.00 -1.51 0.00 0.00 72.50 69.14 1bhn s THR 7 CO 0.00 -0.72 0.40 0.12 -2.21 0.00 0.00 174.62 172.21 1bhn s PHE 8 N -3.60 3.22 -0.17 9.09 5.36 -1.26 -2.23 117.98 128.39 1bhn s PHE 8 Ca 0.17 -0.78 -0.03 0.00 -0.96 0.00 0.00 56.93 55.33 1bhn s PHE 8 Cb 0.05 -3.07 -0.02 0.00 -0.34 0.00 0.00 43.02 39.65 1bhn s PHE 8 CO -0.01 -0.77 -0.07 0.42 -1.46 0.00 0.00 175.22 173.33 1bhn s ILE 9 N 1.79 3.46 -0.08 3.12 -1.09 0.17 -1.95 121.20 126.63 1bhn s ILE 9 Ca 0.06 -0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1bhn s ILE 9 Cb -0.22 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1bhn s ILE 9 CO 0.08 0.48 -0.04 0.00 -1.23 0.00 0.00 174.94 174.24 1bhn s ALA 10 N 0.70 0.90 -0.03 9.38 0.00 -1.10 0.10 121.76 131.72 1bhn s ALA 10 Ca -0.03 -0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1bhn s ALA 10 Cb -0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1bhn s ALA 10 CO 0.02 -0.29 0.81 0.42 0.00 0.00 0.00 175.76 176.72 1bhn s ILE 11 N 1.54 4.94 0.66 0.00 1.01 0.26 -2.77 121.20 126.84 1bhn s ILE 11 Ca -0.00 1.70 -0.15 0.00 0.00 0.00 0.00 60.65 62.19 1bhn s ILE 11 Cb -0.13 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 1bhn s ILE 11 CO -0.04 0.23 1.13 -0.54 0.00 0.00 0.00 174.94 175.72 1bhn s LYS 12 N 0.78 2.77 0.50 2.79 1.02 0.31 -1.85 119.74 126.07 1bhn s LYS 12 Ca 0.43 1.47 0.23 0.00 0.02 0.00 0.00 55.97 58.13 1bhn s LYS 12 Cb -0.19 -1.94 1.32 0.00 -0.52 0.00 0.00 37.83 36.49 1bhn s LYS 12 CO 0.22 -1.29 1.97 -1.35 -0.92 0.00 0.00 175.35 173.98 1bhn h PRO 13 N 0.12 0.10 0.00 -1.68 0.11 -1.85 0.58 132.00 129.39 1bhn h PRO 13 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1bhn h PRO 13 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1bhn h PRO 13 CO 0.54 0.07 -0.52 0.38 -0.21 0.00 0.00 178.00 178.26 1bhn h ASP 14 N 0.11 0.00 -0.11 -2.05 2.03 -1.89 0.77 116.42 115.29 1bhn h ASP 14 Ca 0.30 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.38 1bhn h ASP 14 Cb 1.03 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.55 1bhn h ASP 14 CO -0.03 0.52 -0.77 1.23 -1.03 0.00 0.00 179.24 179.15 1bhn h GLY 15 N 1.86 0.78 0.48 7.15 0.00 -0.35 -0.03 103.07 112.96 1bhn h GLY 15 Ca -0.01 -1.17 0.06 0.00 0.00 0.00 0.00 47.33 46.22 1bhn h GLY 15 CO 0.07 1.04 0.04 -2.08 0.00 0.00 0.00 176.54 175.60 1bhn h VAL 16 N 0.40 0.77 -0.03 4.60 2.07 0.26 -1.15 116.25 123.17 1bhn h VAL 16 Ca -0.07 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 67.19 1bhn h VAL 16 Cb 1.41 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1bhn h VAL 16 CO 0.16 0.03 -0.86 1.56 0.02 0.00 0.00 177.57 178.47 1bhn h GLN 17 N 0.15 0.42 -0.02 1.57 1.08 0.71 -2.64 115.11 116.37 1bhn h GLN 17 Ca 0.18 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1bhn h GLN 17 Cb 0.23 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1bhn h GLN 17 CO -0.27 1.06 0.00 0.54 -0.95 0.00 0.00 178.83 179.22 1bhn n ARG 18 N -3.78 1.09 -2.56 1.46 1.74 -0.04 -4.90 116.66 109.67 1bhn n ARG 18 Ca -0.06 -0.13 -0.06 0.00 -0.77 0.00 0.00 57.85 56.84 1bhn n ARG 18 Cb 0.79 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.94 1bhn n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bhn n GLY 19 N 0.84 0.33 1.23 -0.13 0.00 -0.69 -4.98 105.19 101.79 1bhn n GLY 19 Ca 0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1bhn n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bhn n LEU 20 N -1.85 4.20 -0.02 0.99 4.77 -0.52 -4.69 117.00 119.88 1bhn n LEU 20 Ca -0.05 -3.90 -0.22 0.00 -0.03 0.00 0.00 56.01 51.81 1bhn n LEU 20 Cb 0.54 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1bhn n LEU 20 CO 0.18 1.36 -0.59 0.40 -1.33 0.00 0.00 177.39 177.41 1bhn h ILE 21 N 1.09 0.85 -0.05 -0.08 2.04 -1.88 -2.88 117.51 116.60 1bhn h ILE 21 Ca 0.23 -2.33 0.02 0.00 1.00 0.00 0.00 64.86 63.78 1bhn h ILE 21 Cb 1.57 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 40.14 1bhn h ILE 21 CO 0.43 0.69 -0.05 1.23 0.00 0.00 0.00 178.15 180.44 1bhn h GLY 22 N 0.20 -0.01 0.03 5.37 0.00 -1.98 -1.60 103.07 105.09 1bhn h GLY 22 Ca -0.36 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1bhn h GLY 22 CO 0.01 -0.07 -0.44 0.83 0.00 0.00 0.00 176.54 176.87 1bhn h GLU 23 N -0.07 -0.56 0.34 4.80 4.39 -1.88 0.51 114.58 122.11 1bhn h GLU 23 Ca 0.04 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1bhn h GLU 23 Cb 0.13 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1bhn h GLU 23 CO -0.10 -0.37 -0.34 0.82 -1.16 0.00 0.00 179.01 177.86 1bhn h ILE 24 N -0.58 0.00 -0.78 3.13 2.04 -1.45 0.16 117.51 120.02 1bhn h ILE 24 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.04 1bhn h ILE 24 Cb 0.61 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 1bhn h ILE 24 CO -0.28 0.00 0.26 0.40 0.00 0.00 0.00 178.15 178.53 1bhn h ILE 25 N -0.68 0.54 -1.01 -0.67 2.04 -1.18 0.52 117.51 117.07 1bhn h ILE 25 Ca -0.04 -0.12 0.23 0.00 1.00 0.00 0.00 64.86 65.92 1bhn h ILE 25 Cb 0.59 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1bhn h ILE 25 CO -0.04 0.06 0.61 0.50 0.00 0.00 0.00 178.15 179.29 1bhn h LYS 26 N 0.35 0.60 -0.42 2.37 3.64 -0.13 0.25 116.57 123.23 1bhn h LYS 26 Ca 0.45 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.88 1bhn h LYS 26 Cb 0.78 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1bhn h LYS 26 CO -0.49 0.40 -0.12 0.00 -2.27 0.00 0.00 179.45 176.97 1bhn h ARG 27 N 0.62 -0.02 -0.23 1.90 3.08 0.29 -1.16 114.38 118.87 1bhn h ARG 27 Ca 0.61 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.56 1bhn h ARG 27 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1bhn h ARG 27 CO -0.41 -0.01 -0.29 0.74 -1.07 0.00 0.00 179.97 178.93 1bhn h PHE 28 N -0.02 0.51 0.15 3.04 -1.00 -1.09 -2.51 116.94 116.02 1bhn h PHE 28 Ca 0.20 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1bhn h PHE 28 Cb 0.33 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1bhn h PHE 28 CO -0.38 0.70 -0.07 0.93 -1.61 0.00 0.00 178.31 177.87 1bhn h GLU 29 N 0.39 -0.20 0.00 1.51 5.08 0.49 -1.50 114.58 120.35 1bhn h GLU 29 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1bhn h GLU 29 Cb 0.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1bhn h GLU 29 CO 0.05 -0.13 0.26 -0.56 -1.00 0.00 0.00 179.01 177.64 1bhn h GLN 30 N -0.22 0.00 -0.00 2.33 3.07 -1.27 0.57 115.11 119.58 1bhn h GLN 30 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1bhn h GLN 30 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1bhn h GLN 30 CO 0.03 0.00 -0.05 1.17 0.09 0.00 0.00 178.83 180.07 1bhn n LYS 31 N -2.80 0.47 -0.53 0.06 3.00 -0.95 -4.90 118.16 112.52 1bhn n LYS 31 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1bhn n LYS 31 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.84 1bhn n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bhn n GLY 32 N 1.30 0.70 3.89 3.14 0.00 0.20 -5.04 105.19 109.38 1bhn n GLY 32 Ca 0.14 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1bhn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhn s PHE 33 N -2.00 3.46 -0.40 1.61 0.08 -0.59 -4.96 117.98 115.17 1bhn s PHE 33 Ca 0.00 0.97 -0.14 0.00 0.12 0.00 0.00 56.93 57.87 1bhn s PHE 33 Cb 0.00 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.77 1bhn s PHE 33 CO 0.00 -0.73 0.29 0.50 -0.10 0.00 0.00 175.22 175.18 1bhn s ARG 34 N -5.07 2.95 -0.19 0.44 3.52 0.23 -4.67 118.95 116.17 1bhn s ARG 34 Ca 0.54 -1.03 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1bhn s ARG 34 Cb -0.11 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1bhn s ARG 34 CO 0.49 -0.74 2.08 -1.17 -0.81 0.00 0.00 175.30 175.15 1bhn s LEU 35 N 1.66 3.66 -0.16 -0.88 2.96 -1.26 -0.27 118.68 124.39 1bhn s LEU 35 Ca 0.05 1.94 -0.18 0.00 -0.22 0.00 0.00 54.13 55.72 1bhn s LEU 35 Cb -0.19 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 1bhn s LEU 35 CO 0.10 -1.72 0.23 0.58 -1.32 0.00 0.00 176.35 174.22 1bhn h VAL 36 N 6.76 0.80 -4.00 1.68 2.07 -1.42 -3.47 116.25 118.68 1bhn h VAL 36 Ca -0.41 -1.81 -0.20 0.00 0.82 0.00 0.00 66.70 65.10 1bhn h VAL 36 Cb 1.22 1.72 -0.19 0.00 -1.52 0.00 0.00 31.29 32.53 1bhn h VAL 36 CO 0.97 0.27 -0.71 0.00 0.02 0.00 0.00 177.57 178.13 1bhn s ALA 37 N -2.43 0.48 -0.26 1.67 0.00 -1.08 -0.84 121.76 119.29 1bhn s ALA 37 Ca -0.20 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1bhn s ALA 37 Cb 0.02 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1bhn s ALA 37 CO 0.46 -0.17 0.77 1.41 0.00 0.00 0.00 175.76 178.22 1bhn s MET 38 N -2.40 0.80 -0.30 0.00 1.75 -1.26 -1.75 119.30 116.14 1bhn s MET 38 Ca -0.05 0.90 -0.11 0.00 -1.25 0.00 0.00 55.69 55.18 1bhn s MET 38 Cb -0.04 0.39 0.14 0.00 2.84 0.00 0.00 34.83 38.17 1bhn s MET 38 CO -0.03 -0.11 0.74 -1.59 -0.65 0.00 0.00 175.02 173.39 1bhn s LYS 39 N 0.27 0.50 -0.12 4.11 -2.85 -0.88 -5.03 119.74 115.73 1bhn s LYS 39 Ca -0.00 1.22 -0.27 0.00 -1.00 0.00 0.00 55.97 55.91 1bhn s LYS 39 Cb -0.05 0.73 -0.02 0.00 -2.06 0.00 0.00 37.83 36.44 1bhn s LYS 39 CO 0.00 -0.21 0.91 0.12 0.10 0.00 0.00 175.35 176.28 1bhn s PHE 40 N 2.78 3.49 0.34 1.78 5.36 -1.26 -1.01 117.98 129.47 1bhn s PHE 40 Ca -0.03 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.30 1bhn s PHE 40 Cb -0.11 -3.08 0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1bhn s PHE 40 CO -0.19 -0.18 0.56 0.00 -1.46 0.00 0.00 175.22 173.95 1bhn s MET 41 N 1.87 1.94 0.13 10.12 0.23 0.26 -4.94 119.30 128.92 1bhn s MET 41 Ca 0.44 -1.59 0.07 0.00 -1.03 0.00 0.00 55.69 53.57 1bhn s MET 41 Cb -0.18 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1bhn s MET 41 CO 0.16 -0.84 -0.04 0.50 -2.03 0.00 0.00 175.02 172.77 1bhn s ARG 42 N -3.01 2.30 0.00 3.16 3.52 -1.26 0.42 118.95 124.08 1bhn s ARG 42 Ca 0.25 -1.04 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1bhn s ARG 42 Cb -0.02 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 1bhn s ARG 42 CO 0.16 0.49 0.01 0.00 -0.81 0.00 0.00 175.30 175.15 1bhn s ALA 43 N -1.46 3.31 0.49 6.12 0.00 -1.25 -4.86 121.76 124.10 1bhn s ALA 43 Ca 0.25 -0.95 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1bhn s ALA 43 Cb -0.10 -1.35 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 1bhn s ALA 43 CO 0.16 0.65 1.15 -1.54 0.00 0.00 0.00 175.76 176.19 1bhn s SER 44 N -1.61 6.01 0.34 0.00 1.04 -1.26 -4.56 113.70 113.67 1bhn s SER 44 Ca 0.20 2.26 0.14 0.00 0.48 0.00 0.00 55.95 59.03 1bhn s SER 44 Cb -0.12 -2.60 0.62 0.00 0.10 0.00 0.00 66.02 64.03 1bhn s SER 44 CO 0.11 -1.02 1.74 -0.33 0.98 0.00 0.00 173.24 174.72 1bhn h GLU 45 N 1.76 0.00 0.00 4.02 5.08 -1.98 -1.15 114.58 122.31 1bhn h GLU 45 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1bhn h GLU 45 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1bhn h GLU 45 CO 0.59 0.45 -0.26 -0.44 -1.00 0.00 0.00 179.01 178.35 1bhn h ASP 46 N 0.00 0.00 0.08 1.42 3.32 -1.97 -0.87 116.42 118.40 1bhn h ASP 46 Ca -0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1bhn h ASP 46 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1bhn h ASP 46 CO 0.06 0.04 -0.74 0.25 -1.72 0.00 0.00 179.24 177.12 1bhn h LEU 47 N 0.00 0.25 0.00 1.55 5.85 -1.88 0.27 115.31 121.35 1bhn h LEU 47 Ca 0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1bhn h LEU 47 Cb 0.78 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1bhn h LEU 47 CO 0.00 1.33 0.00 0.18 -0.34 0.00 0.00 178.44 179.61 1bhn n LEU 48 N -4.27 0.00 -0.18 2.25 4.77 -0.46 -0.33 117.00 118.78 1bhn n LEU 48 Ca -0.17 0.87 0.03 0.00 -0.03 0.00 0.00 56.01 56.70 1bhn n LEU 48 Cb 0.72 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1bhn n LEU 48 CO 0.39 -0.37 0.32 1.17 -1.33 0.00 0.00 177.39 177.58 1bhn n LYS 49 N -2.11 -0.05 -0.26 3.23 4.81 -0.33 0.39 118.16 123.83 1bhn n LYS 49 Ca 0.00 0.77 0.03 0.00 -0.87 0.00 0.00 58.31 58.25 1bhn n LYS 49 Cb 0.00 -1.15 0.17 0.00 0.02 0.00 0.00 35.03 34.07 1bhn n LYS 49 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1bhn h GLU 50 N 0.00 0.59 0.03 1.64 4.39 0.20 -2.60 114.58 118.83 1bhn h GLU 50 Ca 0.23 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1bhn h GLU 50 Cb 0.36 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1bhn h GLU 50 CO -0.51 0.39 -0.01 1.25 -1.16 0.00 0.00 179.01 178.97 1bhn h HIS 51 N 0.61 -0.03 0.00 4.33 2.76 1.03 -3.31 115.15 120.54 1bhn h HIS 51 Ca 0.39 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1bhn h HIS 51 Cb 0.47 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1bhn h HIS 51 CO -0.11 -0.02 0.00 0.66 -1.30 0.00 0.00 177.93 177.16 1bhn n TYR 52 N -2.38 0.00 0.00 5.26 4.01 0.23 -4.34 117.16 119.94 1bhn n TYR 52 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bhn n TYR 52 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1bhn n TYR 52 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1bhn n ILE 53 N -0.62 0.00 0.00 -0.72 3.06 -0.98 -1.58 119.36 118.52 1bhn n ILE 53 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1bhn n ILE 53 Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 1bhn n ILE 53 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1bhn h ASP 54 N 0.00 0.06 0.00 9.51 3.32 -1.91 -2.89 116.42 124.51 1bhn h ASP 54 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1bhn h ASP 54 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1bhn h ASP 54 CO 0.00 0.23 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 1bhn n LEU 55 N -4.96 0.00 0.00 1.55 4.77 -0.61 -4.69 117.00 113.05 1bhn n LEU 55 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1bhn n LEU 55 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1bhn n LEU 55 CO 0.34 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.57 1bhn n LYS 56 N -0.52 0.00 0.00 3.23 0.00 -1.09 -2.19 118.16 117.59 1bhn n LYS 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1bhn n LYS 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1bhn n LYS 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1bhn n ASP 57 N -1.99 0.00 0.00 3.14 5.68 -1.26 -4.96 116.55 117.16 1bhn n ASP 57 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1bhn n ASP 57 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bhn n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1bhn n ARG 58 N -0.98 0.00 -0.00 0.11 0.63 -0.93 -4.10 116.66 111.38 1bhn n ARG 58 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1bhn n ARG 58 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1bhn n ARG 58 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1bhn n PRO 59 N 0.19 0.00 -0.09 -0.14 -0.02 -1.26 0.38 135.00 134.06 1bhn n PRO 59 Ca 0.00 0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1bhn n PRO 59 Cb 0.00 -0.03 -0.15 0.00 -0.02 0.00 0.00 33.50 33.30 1bhn n PRO 59 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1bhn n PHE 60 N -1.16 0.25 0.00 6.00 1.16 -1.26 -4.77 117.46 117.68 1bhn n PHE 60 Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1bhn n PHE 60 Cb 0.02 -1.04 0.00 0.00 -1.61 0.00 0.00 39.48 36.84 1bhn n PHE 60 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1bhn n PHE 61 N -2.93 0.00 0.23 2.97 -0.00 1.22 0.89 117.46 119.84 1bhn n PHE 61 Ca -0.32 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.24 1bhn n PHE 61 Cb 1.10 0.00 0.36 0.00 -0.00 0.00 0.00 39.48 40.94 1bhn n PHE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bhn h ALA 62 N 0.00 0.96 -0.27 3.13 0.00 -1.79 0.64 119.26 121.93 1bhn h ALA 62 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1bhn h ALA 62 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bhn h ALA 62 CO 0.00 0.15 -0.01 0.78 0.00 0.00 0.00 179.25 180.17 1bhn h GLY 63 N 2.97 0.44 0.20 0.00 0.00 0.21 -0.77 103.07 106.12 1bhn h GLY 63 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1bhn h GLY 63 CO 0.02 0.23 -0.10 -2.00 0.00 0.00 0.00 176.54 174.69 1bhn h LEU 64 N 0.40 -0.23 -1.10 3.11 5.85 -0.93 -2.53 115.31 119.88 1bhn h LEU 64 Ca 0.09 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.10 1bhn h LEU 64 Cb 0.29 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 1bhn h LEU 64 CO 0.01 -0.12 0.62 0.58 -0.34 0.00 0.00 178.44 179.19 1bhn h VAL 65 N -0.35 0.44 0.11 1.05 2.07 -0.63 1.03 116.25 119.97 1bhn h VAL 65 Ca -0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1bhn h VAL 65 Cb 0.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1bhn h VAL 65 CO 0.04 0.08 -0.05 0.50 0.02 0.00 0.00 177.57 178.16 1bhn h LYS 66 N 0.44 -0.14 -0.89 1.57 3.64 -1.20 -2.54 116.57 117.44 1bhn h LYS 66 Ca 0.67 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 60.10 1bhn h LYS 66 Cb 1.50 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.30 1bhn h LYS 66 CO -0.48 -0.07 0.57 -0.92 -2.27 0.00 0.00 179.45 176.28 1bhn h TYR 67 N -0.16 1.08 0.00 1.91 3.20 0.13 -1.02 116.97 122.11 1bhn h TYR 67 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1bhn h TYR 67 Cb 0.13 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 1bhn h TYR 67 CO -0.07 0.62 -0.06 0.52 -1.64 0.00 0.00 178.16 177.53 1bhn h MET 68 N 1.11 0.00 0.00 1.82 2.86 -0.22 -1.83 114.93 118.67 1bhn h MET 68 Ca 0.35 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1bhn h MET 68 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1bhn h MET 68 CO -0.12 0.06 -1.16 1.25 1.06 0.00 0.00 176.91 178.00 1bhn h HIS 69 N 0.00 0.00 -0.03 -0.22 -0.00 -0.83 -3.38 115.15 110.68 1bhn h HIS 69 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1bhn h HIS 69 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1bhn h HIS 69 CO 0.00 0.36 0.18 0.77 -0.00 0.00 0.00 177.93 179.23 1bhn h SER 70 N 0.00 0.00 -5.24 3.26 0.02 -0.34 -3.42 113.55 107.84 1bhn h SER 70 Ca -0.09 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1bhn h SER 70 Cb 1.35 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.81 1bhn h SER 70 CO 0.03 0.00 -0.09 -0.83 -1.14 0.00 0.00 176.83 174.80 1bhn s GLY 71 N -3.96 0.56 0.59 -3.77 0.00 -1.26 -5.12 107.32 94.37 1bhn s GLY 71 Ca -0.04 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 43.64 1bhn s GLY 71 CO 0.37 -0.61 1.05 2.56 0.00 0.00 0.00 173.10 176.47 1bhn s PRO 72 N -3.88 3.38 0.10 2.90 0.05 -1.26 -3.76 135.00 132.52 1bhn s PRO 72 Ca 0.22 1.13 0.02 0.00 0.05 0.00 0.00 61.00 62.42 1bhn s PRO 72 Cb -0.01 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.45 1bhn s PRO 72 CO 0.10 -0.76 -0.07 0.14 0.05 0.00 0.00 177.00 176.46 1bhn s VAL 73 N -2.57 0.75 -0.53 -0.36 -7.23 1.41 -3.86 120.40 108.01 1bhn s VAL 73 Ca 0.62 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 1bhn s VAL 73 Cb -0.15 -1.62 0.08 0.00 0.56 0.00 0.00 36.38 35.25 1bhn s VAL 73 CO 0.39 -0.82 0.60 -0.69 -0.31 0.00 0.00 175.10 174.27 1bhn s VAL 74 N -3.40 4.95 -0.02 1.32 1.01 -0.77 0.92 120.40 124.41 1bhn s VAL 74 Ca 0.11 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1bhn s VAL 74 Cb 0.04 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1bhn s VAL 74 CO -0.04 -0.87 0.53 0.00 0.00 0.00 0.00 175.10 174.72 1bhn s ALA 75 N 2.39 3.54 0.01 5.51 0.00 -0.18 -0.58 121.76 132.44 1bhn s ALA 75 Ca 0.11 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 1bhn s ALA 75 Cb -0.23 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1bhn s ALA 75 CO 0.08 0.22 0.39 0.00 0.00 0.00 0.00 175.76 176.46 1bhn s MET 76 N -0.32 0.82 -0.19 0.00 0.23 0.29 -2.08 119.30 118.05 1bhn s MET 76 Ca 0.28 -0.22 -0.04 0.00 -1.03 0.00 0.00 55.69 54.69 1bhn s MET 76 Cb -0.17 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1bhn s MET 76 CO 0.15 -0.25 -0.04 0.08 -2.03 0.00 0.00 175.02 172.93 1bhn s VAL 77 N -1.81 3.65 0.13 5.16 1.01 -0.72 0.46 120.40 128.28 1bhn s VAL 77 Ca -0.10 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.57 1bhn s VAL 77 Cb -0.03 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1bhn s VAL 77 CO 0.02 0.45 -0.26 0.26 0.00 0.00 0.00 175.10 175.57 1bhn s TRP 78 N 0.96 2.27 0.01 5.22 0.52 -0.95 -1.18 118.94 125.79 1bhn s TRP 78 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.75 1bhn s TRP 78 Cb -0.15 -1.22 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 1bhn s TRP 78 CO 0.01 0.33 -0.05 -2.00 0.02 0.00 0.00 176.95 175.26 1bhn s GLU 79 N -2.07 0.38 0.00 4.98 2.12 0.63 -1.77 118.70 122.97 1bhn s GLU 79 Ca 0.14 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1bhn s GLU 79 Cb -0.10 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.03 1bhn s GLU 79 CO 0.06 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1bhn n GLY 80 N 2.37 2.07 3.72 -1.50 0.00 0.18 0.75 105.19 112.78 1bhn n GLY 80 Ca -0.17 -0.82 -0.60 0.00 0.00 0.00 0.00 46.02 44.43 1bhn n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bhn n LEU 81 N 0.00 2.09 -3.84 0.99 7.94 -1.16 -0.37 117.00 122.65 1bhn n LEU 81 Ca 0.00 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.71 1bhn n LEU 81 Cb 0.00 -1.08 0.01 0.00 0.53 0.00 0.00 43.42 42.88 1bhn n LEU 81 CO 0.00 -0.54 -0.16 0.59 -1.11 0.00 0.00 177.39 176.18 1bhn n ASN 82 N 5.02 -2.70 0.04 1.96 3.02 -0.09 -4.86 115.26 117.66 1bhn n ASN 82 Ca 0.28 -1.03 -0.13 0.00 -0.03 0.00 0.00 54.58 53.67 1bhn n ASN 82 Cb 0.08 -3.13 -0.03 0.00 -0.61 0.00 0.00 39.78 36.09 1bhn n ASN 82 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1bhn h VAL 83 N -1.92 1.36 0.00 2.41 2.07 -0.96 -2.39 116.25 116.82 1bhn h VAL 83 Ca -0.65 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1bhn h VAL 83 Cb 1.37 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1bhn h VAL 83 CO 0.55 0.67 0.00 0.52 0.02 0.00 0.00 177.57 179.34 1bhn n VAL 84 N -3.83 0.00 -0.13 2.57 0.31 -1.26 0.22 118.33 116.21 1bhn n VAL 84 Ca -0.06 1.46 -0.05 0.00 -0.01 0.00 0.00 64.34 65.67 1bhn n VAL 84 Cb 0.77 -2.04 0.03 0.00 -0.91 0.00 0.00 33.84 31.70 1bhn n VAL 84 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1bhn h LYS 85 N 0.00 0.36 -0.66 5.55 3.64 -1.88 -0.58 116.57 123.01 1bhn h LYS 85 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1bhn h LYS 85 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1bhn h LYS 85 CO 0.00 0.24 0.15 1.15 -2.27 0.00 0.00 179.45 178.72 1bhn h THR 86 N 0.37 1.25 -0.11 1.00 2.02 -0.84 -2.54 112.91 114.07 1bhn h THR 86 Ca 0.19 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1bhn h THR 86 Cb 0.13 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1bhn h THR 86 CO -0.16 0.36 -0.29 1.23 0.37 0.00 0.00 175.52 177.03 1bhn h GLY 87 N 1.06 -1.35 -0.67 2.16 0.00 0.28 0.27 103.07 104.81 1bhn h GLY 87 Ca 0.21 0.70 0.12 0.00 0.00 0.00 0.00 47.33 48.36 1bhn h GLY 87 CO 0.00 -0.39 -0.20 0.54 0.00 0.00 0.00 176.54 176.49 1bhn n ARG 88 N -4.10 -0.09 -0.18 4.80 5.12 -0.24 0.32 116.66 122.29 1bhn n ARG 88 Ca -0.03 1.04 -0.01 0.00 -1.93 0.00 0.00 57.85 56.92 1bhn n ARG 88 Cb 0.20 -1.55 0.08 0.00 -1.16 0.00 0.00 32.46 30.03 1bhn n ARG 88 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1bhn h VAL 89 N 0.00 0.67 -0.20 1.55 2.07 -0.59 0.18 116.25 119.93 1bhn h VAL 89 Ca 0.29 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1bhn h VAL 89 Cb 0.46 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1bhn h VAL 89 CO -0.68 0.04 0.14 0.24 0.02 0.00 0.00 177.57 177.33 1bhn h MET 90 N 0.24 0.01 0.14 1.57 2.86 0.85 -2.53 114.93 118.07 1bhn h MET 90 Ca 0.28 -0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.72 1bhn h MET 90 Cb 0.40 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.08 1bhn h MET 90 CO -0.37 0.00 -0.87 -0.07 1.06 0.00 0.00 176.91 176.67 1bhn h LEU 91 N 0.01 0.48 0.00 1.22 4.07 0.74 -1.95 115.31 119.88 1bhn h LEU 91 Ca 0.09 -0.95 0.00 0.00 0.08 0.00 0.00 57.88 57.11 1bhn h LEU 91 Cb 0.37 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1bhn h LEU 91 CO -0.00 1.42 0.00 0.61 -1.08 0.00 0.00 178.44 179.38 1bhn n GLY 92 N 1.67 -0.29 3.56 0.83 0.00 0.35 -0.89 105.19 110.42 1bhn n GLY 92 Ca -0.15 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 1bhn n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bhn s GLU 93 N -0.07 3.55 0.08 1.61 2.56 -1.26 -4.65 118.70 120.50 1bhn s GLU 93 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.97 55.02 1bhn s GLU 93 Cb 0.00 -3.88 0.27 0.00 2.00 0.00 0.00 34.13 32.52 1bhn s GLU 93 CO 0.00 -0.94 0.33 2.41 -0.56 0.00 0.00 175.26 176.49 1bhn n THR 94 N 5.88 -0.09 -2.89 -1.70 -1.04 -1.26 -2.71 114.28 110.47 1bhn n THR 94 Ca 0.01 0.42 -0.44 0.00 -2.04 0.00 0.00 64.05 62.01 1bhn n THR 94 Cb 0.48 -0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 68.30 1bhn n THR 94 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1bhn s ASN 95 N -4.91 6.77 0.00 8.00 3.84 -1.26 -4.65 114.94 122.73 1bhn s ASN 95 Ca -0.02 -2.33 0.00 0.00 0.21 0.00 0.00 52.86 50.73 1bhn s ASN 95 Cb 0.07 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1bhn s ASN 95 CO 0.16 -1.00 0.06 -2.65 -2.79 0.00 0.00 177.10 170.88 1bhn n PRO 96 N 6.51 0.00 -0.04 0.43 -0.02 -1.10 0.29 135.00 141.07 1bhn n PRO 96 Ca 0.30 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1bhn n PRO 96 Cb 0.47 -1.52 -0.15 0.00 -0.02 0.00 0.00 33.50 32.28 1bhn n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bhn n ALA 97 N -0.56 2.34 1.31 3.55 0.00 -1.26 -4.09 120.51 121.80 1bhn n ALA 97 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.86 1bhn n ALA 97 Cb 0.02 -0.49 0.43 0.00 0.00 0.00 0.00 19.45 19.40 1bhn n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bhn n ASP 98 N -2.34 1.75 -4.64 0.00 8.00 0.83 -4.88 116.55 115.27 1bhn n ASP 98 Ca -0.12 -1.63 -0.38 0.00 0.71 0.00 0.00 54.79 53.37 1bhn n ASP 98 Cb 0.70 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1bhn n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1bhn s SER 99 N -1.81 6.22 0.44 -2.24 0.01 -1.19 -4.63 113.70 110.50 1bhn s SER 99 Ca 0.35 0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.64 1bhn s SER 99 Cb 0.20 -2.17 -0.09 0.00 0.21 0.00 0.00 66.02 64.17 1bhn s SER 99 CO 0.30 -0.05 1.01 -0.54 0.41 0.00 0.00 173.24 174.37 1bhn s LYS 100 N 1.50 4.05 0.35 12.44 -0.14 -1.26 -4.30 119.74 132.38 1bhn s LYS 100 Ca 0.12 1.33 -0.28 0.00 -1.36 0.00 0.00 55.97 55.79 1bhn s LYS 100 Cb -0.15 -2.27 -0.12 0.00 -1.68 0.00 0.00 37.83 33.61 1bhn s LYS 100 CO 0.08 -0.21 1.26 -2.30 -0.76 0.00 0.00 175.35 173.42 1bhn n PRO 101 N -0.56 2.04 0.00 -1.68 -0.02 -1.26 -2.79 135.00 130.72 1bhn n PRO 101 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1bhn n PRO 101 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1bhn n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhn n GLY 102 N 0.81 2.25 3.89 -1.23 0.00 -1.26 -4.93 105.19 104.73 1bhn n GLY 102 Ca 0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1bhn n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bhn s THR 103 N -0.32 5.18 0.04 2.61 -4.23 -1.12 -4.95 115.64 112.84 1bhn s THR 103 Ca 0.00 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1bhn s THR 103 Cb 0.00 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 1bhn s THR 103 CO 0.00 0.11 0.98 -0.38 -0.54 0.00 0.00 174.62 174.79 1bhn n ILE 104 N 0.31 -0.15 0.15 2.99 5.41 -0.73 0.12 119.36 127.46 1bhn n ILE 104 Ca -0.04 1.50 -0.14 0.00 1.00 0.00 0.00 62.75 65.07 1bhn n ILE 104 Cb 0.52 -1.94 -0.07 0.00 -0.71 0.00 0.00 39.64 37.44 1bhn n ILE 104 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1bhn h ARG 105 N 0.00 -0.42 -1.18 0.38 3.08 -1.30 0.29 114.38 115.23 1bhn h ARG 105 Ca 0.04 0.03 0.37 0.00 0.07 0.00 0.00 59.98 60.49 1bhn h ARG 105 Cb 0.09 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 1bhn h ARG 105 CO -0.21 -0.28 0.74 0.78 -1.07 0.00 0.00 179.97 179.93 1bhn h GLY 106 N -0.44 1.45 0.34 0.04 0.00 -0.77 -1.04 103.07 102.65 1bhn h GLY 106 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1bhn h GLY 106 CO -0.03 -0.37 -0.13 -0.55 0.00 0.00 0.00 176.54 175.46 1bhn h ASP 107 N 0.20 0.12 -0.35 0.19 5.19 0.20 -3.41 116.42 118.56 1bhn h ASP 107 Ca 0.75 -0.78 -0.27 0.00 -0.62 0.00 0.00 57.03 56.11 1bhn h ASP 107 Cb 2.14 -0.04 -0.29 0.00 0.18 0.00 0.00 39.33 41.32 1bhn h ASP 107 CO -0.43 0.88 -0.82 0.49 -3.12 0.00 0.00 179.24 176.23 1bhn n PHE 108 N -4.61 1.21 -3.50 4.55 3.72 0.92 -5.01 117.46 114.75 1bhn n PHE 108 Ca -0.10 -1.71 -0.10 0.00 -0.05 0.00 0.00 57.45 55.49 1bhn n PHE 108 Cb 0.44 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1bhn n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bhn n ILE 110 N 0.02 1.19 -4.29 0.00 5.41 -1.26 -4.81 119.36 115.62 1bhn n ILE 110 Ca -0.11 -0.17 -0.25 0.00 1.00 0.00 0.00 62.75 63.21 1bhn n ILE 110 Cb 0.61 -1.86 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 1bhn n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1bhn s GLN 111 N -2.44 2.16 0.41 0.38 0.74 -1.26 -4.34 119.66 115.32 1bhn s GLN 111 Ca -0.27 -1.32 0.28 0.00 0.05 0.00 0.00 55.36 54.10 1bhn s GLN 111 Cb 0.09 -2.17 1.46 0.00 1.10 0.00 0.00 33.01 33.49 1bhn s GLN 111 CO 0.35 0.41 1.86 0.28 -0.55 0.00 0.00 175.29 177.64 1bhn h VAL 112 N 2.41 0.00 0.16 1.34 2.07 -1.95 -2.36 116.25 117.92 1bhn h VAL 112 Ca -0.46 -0.08 -0.35 0.00 0.82 0.00 0.00 66.70 66.64 1bhn h VAL 112 Cb 1.22 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1bhn h VAL 112 CO 0.57 0.00 -1.77 1.23 0.02 0.00 0.00 177.57 177.62 1bhn h GLY 113 N 0.53 0.38 -6.81 2.17 0.00 -1.94 -3.34 103.07 94.06 1bhn h GLY 113 Ca 0.00 -0.97 -0.77 0.00 0.00 0.00 0.00 47.33 45.59 1bhn h GLY 113 CO 0.00 0.85 0.50 0.54 0.00 0.00 0.00 176.54 178.43 1bhn n ARG 114 N -3.53 4.06 -0.11 4.80 5.12 -0.89 -4.88 116.66 121.23 1bhn n ARG 114 Ca -0.25 -4.58 0.10 0.00 -1.93 0.00 0.00 57.85 51.20 1bhn n ARG 114 Cb 1.06 -2.46 0.33 0.00 -1.16 0.00 0.00 32.46 30.23 1bhn n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bhn n ASN 115 N 1.29 2.02 0.00 0.55 0.23 -1.20 -4.26 115.26 113.89 1bhn n ASN 115 Ca 0.27 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1bhn n ASN 115 Cb 0.35 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1bhn n ASN 115 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1bhn n ILE 116 N 0.56 0.00 -3.85 1.53 -5.35 -1.26 -4.71 119.36 106.28 1bhn n ILE 116 Ca 0.16 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.57 1bhn n ILE 116 Cb 0.38 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.27 1bhn n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1bhn s ILE 117 N -0.05 0.00 0.03 7.28 2.07 -1.26 0.12 121.20 129.38 1bhn s ILE 117 Ca 0.00 -1.01 -0.09 0.00 -1.41 0.00 0.00 60.65 58.14 1bhn s ILE 117 Cb 0.00 -2.17 0.00 0.00 0.13 0.00 0.00 42.46 40.43 1bhn s ILE 117 CO 0.00 0.00 0.18 -2.28 -1.91 0.00 0.00 174.94 170.93 1bhn s HIS 118 N -3.63 0.06 -0.07 3.50 5.65 -1.11 -4.87 115.29 114.83 1bhn s HIS 118 Ca 0.12 -0.26 -0.08 0.00 0.25 0.00 0.00 55.06 55.08 1bhn s HIS 118 Cb -0.06 -0.04 0.02 0.00 -1.18 0.00 0.00 32.58 31.32 1bhn s HIS 118 CO 0.08 -0.40 0.22 0.20 -0.65 0.00 0.00 174.74 174.19 1bhn s GLY 119 N -1.96 -0.14 0.18 1.59 0.00 -1.26 -2.69 107.32 103.04 1bhn s GLY 119 Ca -0.07 0.52 -0.33 0.00 0.00 0.00 0.00 44.72 44.84 1bhn s GLY 119 CO -0.03 0.42 1.37 1.44 0.00 0.00 0.00 173.10 176.30 1bhn n SER 120 N 2.65 2.29 -1.66 1.64 7.64 -0.82 -4.83 113.62 120.53 1bhn n SER 120 Ca -0.15 1.13 0.08 0.00 1.01 0.00 0.00 58.87 60.94 1bhn n SER 120 Cb 0.58 -1.33 0.37 0.00 -1.01 0.00 0.00 64.21 62.81 1bhn n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bhn n ASP 121 N 2.45 5.17 -3.57 6.43 5.75 -1.26 -4.81 116.55 126.71 1bhn n ASP 121 Ca 0.15 -2.77 -0.05 0.00 -0.01 0.00 0.00 54.79 52.11 1bhn n ASP 121 Cb 0.27 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 1bhn n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1bhn s SER 122 N -0.97 -0.22 -0.03 -1.12 1.04 -1.26 -4.93 113.70 106.21 1bhn s SER 122 Ca 0.52 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 1bhn s SER 122 Cb 0.37 0.26 -0.12 0.00 0.10 0.00 0.00 66.02 66.63 1bhn s SER 122 CO 0.18 -0.44 0.83 -0.37 0.98 0.00 0.00 173.24 174.42 1bhn h VAL 123 N 2.00 0.39 -1.01 5.02 -1.51 -1.93 1.54 116.25 120.76 1bhn h VAL 123 Ca -0.17 -0.77 0.23 0.00 -1.23 0.00 0.00 66.70 64.76 1bhn h VAL 123 Cb 1.20 0.64 -0.11 0.00 -2.13 0.00 0.00 31.29 30.89 1bhn h VAL 123 CO 0.27 0.09 0.61 -0.33 -1.23 0.00 0.00 177.57 176.98 1bhn h GLU 124 N -1.00 0.59 0.84 5.19 4.39 -1.97 1.15 114.58 123.76 1bhn h GLU 124 Ca -0.04 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1bhn h GLU 124 Cb 0.49 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1bhn h GLU 124 CO 0.07 0.39 -0.40 1.03 -1.16 0.00 0.00 179.01 178.94 1bhn h SER 125 N 0.60 -0.95 0.00 1.42 0.87 -1.87 -2.41 113.55 111.21 1bhn h SER 125 Ca 0.61 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1bhn h SER 125 Cb 1.17 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1bhn h SER 125 CO -0.40 -0.67 0.00 0.00 -0.53 0.00 0.00 176.83 175.23 1bhn n ALA 126 N -2.59 0.00 -0.22 6.23 0.00 0.53 -0.55 120.51 123.91 1bhn n ALA 126 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1bhn n ALA 126 Cb 0.45 0.34 0.12 0.00 0.00 0.00 0.00 19.45 20.36 1bhn n ALA 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bhn h GLU 127 N 0.00 0.45 -0.07 0.00 5.08 -0.86 0.24 114.58 119.42 1bhn h GLU 127 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1bhn h GLU 127 Cb 0.00 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1bhn h GLU 127 CO 0.00 0.30 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.57 1bhn h LYS 128 N 0.47 -0.58 -0.84 2.33 3.64 -0.29 0.44 116.57 121.73 1bhn h LYS 128 Ca 0.32 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.96 1bhn h LYS 128 Cb 0.38 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1bhn h LYS 128 CO -0.30 -0.39 0.58 0.93 -2.27 0.00 0.00 179.45 178.01 1bhn h GLU 129 N -0.60 0.19 0.10 1.90 5.08 -0.57 0.47 114.58 121.15 1bhn h GLU 129 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1bhn h GLU 129 Cb 0.68 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1bhn h GLU 129 CO -0.39 0.12 -0.07 0.82 -1.00 0.00 0.00 179.01 178.50 1bhn h ILE 130 N 0.19 0.00 -0.91 3.13 1.08 0.16 0.33 117.51 121.49 1bhn h ILE 130 Ca 0.42 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 65.15 1bhn h ILE 130 Cb 1.35 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.95 1bhn h ILE 130 CO -0.09 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.66 1bhn h ALA 131 N -1.75 1.41 -1.35 1.87 0.00 0.15 1.08 119.26 120.67 1bhn h ALA 131 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bhn h ALA 131 Cb 0.14 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bhn h ALA 131 CO 0.01 -0.51 0.00 -0.11 0.00 0.00 0.00 179.25 178.64 1bhn n LEU 132 N -5.22 0.08 0.00 0.00 0.00 0.15 -3.62 117.00 108.38 1bhn n LEU 132 Ca 0.24 0.75 0.07 0.00 0.00 0.00 0.00 56.01 57.06 1bhn n LEU 132 Cb 0.76 -0.28 0.33 0.00 0.00 0.00 0.00 43.42 44.24 1bhn n LEU 132 CO 0.05 -0.28 0.71 0.79 0.00 0.00 0.00 177.39 178.67 1bhn n TRP 133 N -1.33 0.00 -3.79 1.96 7.02 0.12 -4.81 117.44 116.61 1bhn n TRP 133 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1bhn n TRP 133 Cb 0.00 -0.39 -0.07 0.00 -2.42 0.00 0.00 31.31 28.43 1bhn n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1bhn s PHE 134 N -2.78 -0.02 -0.31 -5.99 0.40 0.37 -5.05 117.98 104.60 1bhn s PHE 134 Ca 0.10 -0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 56.00 1bhn s PHE 134 Cb 0.09 0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.67 1bhn s PHE 134 CO 0.24 -0.51 0.77 -1.01 0.70 0.00 0.00 175.22 175.41 1bhn s HIS 135 N -2.90 3.20 0.00 0.36 3.76 -1.26 -4.36 115.29 114.09 1bhn s HIS 135 Ca -0.03 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 1bhn s HIS 135 Cb 0.00 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.49 1bhn s HIS 135 CO -0.06 -0.57 0.02 -2.30 -0.85 0.00 0.00 174.74 170.98 1bhn n PRO 136 N 6.18 0.00 0.00 8.40 -0.01 -1.26 -0.38 135.00 147.93 1bhn n PRO 136 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.52 1bhn n PRO 136 Cb 0.48 -0.56 0.00 0.00 -0.01 0.00 0.00 33.50 33.41 1bhn n PRO 136 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1bhn n GLU 137 N 1.34 0.00 0.00 -0.52 4.71 -1.26 -4.82 120.64 120.09 1bhn n GLU 137 Ca 0.00 -0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1bhn n GLU 137 Cb 0.00 -0.05 0.31 0.00 -1.01 0.00 0.00 31.44 30.69 1bhn n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1bhn n GLU 138 N 0.00 1.18 -3.18 3.49 1.02 0.49 -4.84 120.64 118.80 1bhn n GLU 138 Ca 0.00 -0.79 -0.44 0.00 -0.02 0.00 0.00 57.16 55.91 1bhn n GLU 138 Cb 0.31 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1bhn n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bhn s LEU 139 N -2.36 4.91 -0.23 -4.62 2.01 -1.26 -4.30 118.68 112.82 1bhn s LEU 139 Ca 0.26 -0.81 -0.20 0.00 0.01 0.00 0.00 54.13 53.39 1bhn s LEU 139 Cb 0.19 -2.47 -0.02 0.00 0.01 0.00 0.00 46.19 43.90 1bhn s LEU 139 CO 0.48 -0.83 0.58 -0.69 1.01 0.00 0.00 176.35 176.91 1bhn s VAL 140 N 2.56 5.04 -0.39 -1.59 1.01 -0.02 -4.99 120.40 122.01 1bhn s VAL 140 Ca 0.15 1.06 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 1bhn s VAL 140 Cb -0.18 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1bhn s VAL 140 CO 0.13 0.09 0.52 0.21 0.00 0.00 0.00 175.10 176.04 1bhn s ASN 141 N 1.35 6.27 0.23 3.32 2.47 -1.26 -4.67 114.94 122.65 1bhn s ASN 141 Ca 0.25 -0.32 -0.23 0.00 0.42 0.00 0.00 52.86 52.99 1bhn s ASN 141 Cb -0.16 -2.26 0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1bhn s ASN 141 CO 0.09 -0.58 0.80 -0.72 -3.72 0.00 0.00 177.10 172.97 1bhn s TYR 142 N 2.41 -0.19 0.05 0.43 1.13 -1.26 -5.20 117.35 114.71 1bhn s TYR 142 Ca 0.17 -0.20 0.09 0.00 -1.41 0.00 0.00 57.07 55.72 1bhn s TYR 142 Cb -0.16 0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1bhn s TYR 142 CO 0.15 -1.07 -0.24 0.15 -2.51 0.00 0.00 175.55 172.03 1bhn s LYS 143 N -3.68 1.63 0.35 -3.49 3.01 -1.26 -5.10 119.74 111.19 1bhn s LYS 143 Ca 0.11 -1.07 -0.27 0.00 -1.01 0.00 0.00 55.97 53.73 1bhn s LYS 143 Cb -0.04 -1.81 -0.09 0.00 -1.01 0.00 0.00 37.83 34.88 1bhn s LYS 143 CO 0.04 0.46 1.15 -1.54 0.51 0.00 0.00 175.35 175.97 1bhn s SER 144 N -1.28 6.83 0.54 2.83 1.04 -1.26 -4.94 113.70 117.46 1bhn s SER 144 Ca 0.10 2.32 0.25 0.00 0.48 0.00 0.00 55.95 59.10 1bhn s SER 144 Cb -0.10 -2.62 1.42 0.00 0.10 0.00 0.00 66.02 64.83 1bhn s SER 144 CO 0.02 -0.46 2.02 0.00 0.98 0.00 0.00 173.24 175.81 1bhn n ALA 146 N -2.57 3.76 -0.11 0.00 0.00 -1.26 -4.72 120.51 115.61 1bhn n ALA 146 Ca 0.07 -3.23 0.02 0.00 0.00 0.00 0.00 53.44 50.30 1bhn n ALA 146 Cb 0.52 -0.45 0.33 0.00 0.00 0.00 0.00 19.45 19.85 1bhn n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bhn h GLN 147 N 0.96 0.77 0.00 0.00 4.15 -1.63 -1.67 115.11 117.69 1bhn h GLN 147 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bhn h GLN 147 Cb 1.16 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1bhn h GLN 147 CO 0.09 0.52 0.00 0.09 -1.93 0.00 0.00 178.83 177.60 1bhn n ASN 148 N -4.44 0.52 0.06 -0.69 3.02 -1.26 0.14 115.26 112.61 1bhn n ASN 148 Ca 0.06 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 1bhn n ASN 148 Cb 0.05 -0.76 0.09 0.00 -0.61 0.00 0.00 39.78 38.56 1bhn n ASN 148 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1bhn n TRP 149 N -2.11 0.56 -0.06 3.10 7.02 -0.65 -4.36 117.44 120.94 1bhn n TRP 149 Ca 0.01 0.16 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 1bhn n TRP 149 Cb 0.15 -0.66 -0.10 0.00 -2.42 0.00 0.00 31.31 28.28 1bhn n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1bhn n ILE 150 N -2.19 0.85 -5.16 -0.99 5.41 0.51 -4.98 119.36 112.80 1bhn n ILE 150 Ca 0.02 -0.51 -0.31 0.00 1.00 0.00 0.00 62.75 62.95 1bhn n ILE 150 Cb 0.46 -0.70 -0.15 0.00 -0.71 0.00 0.00 39.64 38.54 1bhn n ILE 150 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1bhn s TYR 151 N -2.30 2.37 -2.67 1.39 -0.85 0.12 -5.13 117.35 110.28 1bhn s TYR 151 Ca -0.07 -0.40 0.27 0.00 -0.52 0.00 0.00 57.07 56.34 1bhn s TYR 151 Cb 0.04 -1.48 0.75 0.00 0.38 0.00 0.00 41.96 41.65 1bhn s TYR 151 CO 0.49 0.03 1.58 -0.85 -1.52 0.00 0.00 175.55 175.28