#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwf s ASP 0 N 0.00 6.35 0.35 -1.43 1.01 -1.26 -5.03 116.67 116.66 2bwf s ASP 0 Ca 0.00 3.05 -0.11 0.00 0.71 0.00 0.00 52.55 56.20 2bwf s ASP 0 Cb 0.00 -2.67 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 2bwf s ASP 0 CO 0.00 -0.87 0.71 -0.04 0.21 0.00 0.00 175.17 175.18 2bwf s MET 1 N -2.07 3.81 0.02 8.23 -1.94 -1.26 -5.10 119.30 120.99 2bwf s MET 1 Ca 0.53 0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.83 2bwf s MET 1 Cb -0.46 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 33.92 2bwf s MET 1 CO 0.63 0.08 0.22 0.45 -0.01 0.00 0.00 175.02 176.39 2bwf s SER 2 N -2.88 -0.03 -0.10 3.03 0.15 -1.26 -4.34 113.70 108.27 2bwf s SER 2 Ca 0.50 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.97 2bwf s SER 2 Cb -0.10 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2bwf s SER 2 CO 0.27 -0.50 -0.22 -0.76 1.20 0.00 0.00 173.24 173.23 2bwf s LEU 3 N -1.79 2.02 -0.42 3.45 1.43 0.37 -4.93 118.68 118.82 2bwf s LEU 3 Ca -0.09 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 2bwf s LEU 3 Cb -0.03 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2bwf s LEU 3 CO -0.01 0.13 0.58 0.21 0.23 0.00 0.00 176.35 177.48 2bwf s ASN 4 N 0.48 6.29 -0.07 2.29 3.04 -1.26 -1.32 114.94 124.40 2bwf s ASN 4 Ca -0.16 -0.37 0.05 0.00 0.04 0.00 0.00 52.86 52.42 2bwf s ASN 4 Cb -0.17 -2.29 -0.00 0.00 -1.54 0.00 0.00 41.25 37.24 2bwf s ASN 4 CO 0.06 -0.69 -0.23 -0.63 -3.04 0.00 0.00 177.10 172.58 2bwf s ILE 5 N 2.60 1.89 -0.03 -5.21 1.01 -0.25 0.29 121.20 121.49 2bwf s ILE 5 Ca 0.20 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2bwf s ILE 5 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2bwf s ILE 5 CO 0.17 0.53 0.53 -1.00 0.00 0.00 0.00 174.94 175.17 2bwf s HIS 6 N 0.07 3.65 -0.20 3.97 3.76 -0.41 -1.22 115.29 124.92 2bwf s HIS 6 Ca -0.09 1.09 -0.03 0.00 -0.15 0.00 0.00 55.06 55.88 2bwf s HIS 6 Cb -0.15 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.99 2bwf s HIS 6 CO 0.05 0.35 -0.06 0.42 -0.85 0.00 0.00 174.74 174.65 2bwf s ILE 7 N -0.14 3.36 -0.08 0.60 -1.09 0.34 -0.61 121.20 123.59 2bwf s ILE 7 Ca 0.28 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2bwf s ILE 7 Cb -0.17 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2bwf s ILE 7 CO 0.15 0.45 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.60 2bwf s LYS 8 N 1.13 2.82 -0.28 2.79 1.02 -0.28 -1.07 119.74 125.87 2bwf s LYS 8 Ca 0.02 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 2bwf s LYS 8 Cb -0.15 -2.41 0.13 0.00 -0.52 0.00 0.00 37.83 34.89 2bwf s LYS 8 CO -0.01 0.42 0.28 0.45 -0.92 0.00 0.00 175.35 175.57 2bwf s SER 9 N -0.21 1.70 1.82 2.83 0.15 -0.42 -0.71 113.70 118.86 2bwf s SER 9 Ca -0.00 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2bwf s SER 9 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2bwf s SER 9 CO 0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2bwf n GLY 10 N 5.31 3.91 0.05 9.45 0.00 -1.26 -1.13 105.19 121.52 2bwf n GLY 10 Ca -0.03 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2bwf n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bwf n GLN 11 N 13.09 0.18 -3.15 1.61 -0.00 -1.26 -4.90 117.38 122.94 2bwf n GLN 11 Ca 0.00 0.08 -0.34 0.00 -0.00 0.00 0.00 57.00 56.73 2bwf n GLN 11 Cb 0.00 -1.64 -0.06 0.00 -0.00 0.00 0.00 30.24 28.54 2bwf n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2bwf s ASP 12 N -3.82 6.91 -0.10 2.61 1.01 -0.29 -5.08 116.67 117.91 2bwf s ASP 12 Ca 0.09 1.31 -0.07 0.00 0.71 0.00 0.00 52.55 54.59 2bwf s ASP 12 Cb 0.15 -2.38 0.04 0.00 1.01 0.00 0.00 42.92 41.74 2bwf s ASP 12 CO 0.67 -0.06 0.26 -0.75 0.21 0.00 0.00 175.17 175.50 2bwf s LYS 13 N -2.40 0.26 0.30 8.23 2.20 -1.26 -1.30 119.74 125.78 2bwf s LYS 13 Ca 0.47 0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.59 2bwf s LYS 13 Cb -0.14 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.14 2bwf s LYS 13 CO 0.19 -0.10 -0.01 -1.58 -0.36 0.00 0.00 175.35 173.50 2bwf s TRP 14 N 0.69 1.96 -0.03 4.03 0.51 -0.23 -4.97 118.94 120.90 2bwf s TRP 14 Ca -0.05 -0.80 0.06 0.00 -2.12 0.00 0.00 56.10 53.19 2bwf s TRP 14 Cb -0.06 -1.19 -0.01 0.00 -0.81 0.00 0.00 33.47 31.40 2bwf s TRP 14 CO -0.04 0.17 -0.20 -2.00 -0.51 0.00 0.00 176.95 174.37 2bwf s GLU 15 N -3.79 1.86 0.25 4.98 2.12 -1.26 -0.50 118.70 122.35 2bwf s GLU 15 Ca 0.32 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2bwf s GLU 15 Cb 0.06 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.72 2bwf s GLU 15 CO 0.13 0.36 0.04 0.14 -0.54 0.00 0.00 175.26 175.39 2bwf s VAL 16 N -0.23 0.88 -0.10 3.70 -7.23 -0.35 -4.94 120.40 112.12 2bwf s VAL 16 Ca 0.02 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2bwf s VAL 16 Cb -0.10 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.37 2bwf s VAL 16 CO 0.01 -0.18 0.00 0.20 -0.31 0.00 0.00 175.10 174.83 2bwf s ASN 17 N -3.33 1.91 0.03 4.85 0.01 -1.26 -1.10 114.94 116.06 2bwf s ASN 17 Ca 0.32 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2bwf s ASN 17 Cb 0.07 -0.51 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 2bwf s ASN 17 CO 0.11 -0.21 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.76 2bwf s VAL 18 N 1.93 0.20 0.38 1.60 1.01 -0.44 -4.92 120.40 120.16 2bwf s VAL 18 Ca 0.04 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 2bwf s VAL 18 Cb -0.13 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 2bwf s VAL 18 CO -0.06 -0.55 1.17 0.00 0.00 0.00 0.00 175.10 175.66 2bwf s ALA 19 N -1.80 3.22 0.39 5.51 0.00 -1.26 -0.48 121.76 127.35 2bwf s ALA 19 Ca -0.12 0.98 0.09 0.00 0.00 0.00 0.00 51.96 52.92 2bwf s ALA 19 Cb -0.07 -3.38 0.86 0.00 0.00 0.00 0.00 23.12 20.52 2bwf s ALA 19 CO -0.02 -0.48 1.95 -1.35 0.00 0.00 0.00 175.76 175.86 2bwf h PRO 20 N 2.87 0.60 0.00 0.00 0.11 -1.92 -1.94 132.00 131.73 2bwf h PRO 20 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bwf h PRO 20 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bwf h PRO 20 CO 0.63 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97 2bwf n GLU 21 N -4.49 0.15 -2.03 1.05 0.00 -1.26 -1.22 120.64 112.85 2bwf n GLU 21 Ca 0.12 0.02 -0.40 0.00 0.00 0.00 0.00 57.16 56.89 2bwf n GLU 21 Cb 0.32 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.26 2bwf n GLU 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2bwf s SER 22 N -2.84 6.39 0.87 -1.84 0.01 -0.73 -4.77 113.70 110.79 2bwf s SER 22 Ca 0.19 2.72 -0.11 0.00 1.31 0.00 0.00 55.95 60.06 2bwf s SER 22 Cb 0.19 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.89 2bwf s SER 22 CO 0.48 -0.80 1.10 0.42 0.41 0.00 0.00 173.24 174.86 2bwf s THR 23 N -1.22 2.72 0.46 1.44 -4.23 -1.26 -1.17 115.64 112.39 2bwf s THR 23 Ca 0.55 0.23 0.12 0.00 -1.18 0.00 0.00 61.69 61.41 2bwf s THR 23 Cb -0.40 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.13 2bwf s THR 23 CO 0.52 -0.31 2.08 0.58 -0.54 0.00 0.00 174.62 176.95 2bwf h VAL 24 N -1.55 1.06 -0.13 2.29 2.07 -0.82 -0.40 116.25 118.78 2bwf h VAL 24 Ca -0.46 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2bwf h VAL 24 Cb 1.26 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2bwf h VAL 24 CO 0.49 0.07 0.08 0.25 0.02 0.00 0.00 177.57 178.49 2bwf h LEU 25 N 0.23 0.15 -1.31 2.57 5.85 -1.75 0.58 115.31 121.63 2bwf h LEU 25 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2bwf h LEU 25 Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2bwf h LEU 25 CO -0.01 0.11 -0.21 1.56 -0.34 0.00 0.00 178.44 179.56 2bwf h GLN 26 N 0.17 0.21 -0.25 1.25 7.50 -1.65 -1.27 115.11 121.08 2bwf h GLN 26 Ca 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 2bwf h GLN 26 Cb -0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 2bwf h GLN 26 CO -0.01 0.41 0.11 0.35 -1.50 0.00 0.00 178.83 178.20 2bwf h PHE 27 N 0.19 0.36 -0.45 2.96 3.57 -0.68 -1.69 116.94 121.21 2bwf h PHE 27 Ca 0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2bwf h PHE 27 Cb 0.48 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2bwf h PHE 27 CO 0.01 0.36 0.24 0.87 -2.23 0.00 0.00 178.31 177.55 2bwf h LYS 28 N 0.26 0.61 -0.58 1.11 1.57 -0.51 -0.95 116.57 118.09 2bwf h LYS 28 Ca 0.08 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2bwf h LYS 28 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2bwf h LYS 28 CO -0.01 0.46 0.14 0.93 -0.57 0.00 0.00 179.45 180.40 2bwf h GLU 29 N 0.62 0.93 -0.90 3.15 5.08 -0.84 0.91 114.58 123.53 2bwf h GLU 29 Ca 0.16 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2bwf h GLU 29 Cb 0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2bwf h GLU 29 CO -0.03 0.86 0.49 0.00 -1.00 0.00 0.00 179.01 179.33 2bwf h ALA 30 N 1.03 1.17 -0.48 3.43 0.00 -0.61 -1.71 119.26 122.09 2bwf h ALA 30 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2bwf h ALA 30 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bwf h ALA 30 CO 0.00 0.66 0.16 0.82 0.00 0.00 0.00 179.25 180.90 2bwf h ILE 31 N 1.25 1.22 -0.87 0.00 2.04 -0.78 -2.14 117.51 118.25 2bwf h ILE 31 Ca 0.31 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.46 2bwf h ILE 31 Cb 0.03 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2bwf h ILE 31 CO -0.05 0.27 0.57 -1.13 0.00 0.00 0.00 178.15 177.81 2bwf h ASN 32 N 0.64 0.96 0.04 1.72 -0.73 -0.53 0.14 115.58 117.81 2bwf h ASN 32 Ca 0.16 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.25 2bwf h ASN 32 Cb 0.26 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 2bwf h ASN 32 CO -0.01 0.67 -0.18 0.50 -0.37 0.00 0.00 177.43 178.05 2bwf h LYS 33 N 1.12 0.27 0.05 6.67 3.64 -0.91 0.76 116.57 128.18 2bwf h LYS 33 Ca 0.33 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.41 2bwf h LYS 33 Cb -0.04 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2bwf h LYS 33 CO -0.09 0.45 -1.04 0.00 -2.27 0.00 0.00 179.45 176.50 2bwf h ALA 34 N 1.57 0.30 0.00 5.00 0.00 -0.53 -3.41 119.26 122.19 2bwf h ALA 34 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2bwf h ALA 34 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bwf h ALA 34 CO 0.03 0.95 0.00 0.27 0.00 0.00 0.00 179.25 180.50 2bwf n ASN 35 N -3.59 0.23 0.00 0.00 0.23 -0.10 -5.03 115.26 107.00 2bwf n ASN 35 Ca -0.06 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 2bwf n ASN 35 Cb 0.91 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.68 2bwf n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bwf n GLY 36 N 0.07 0.81 3.68 4.83 0.00 0.25 -4.99 105.19 109.83 2bwf n GLY 36 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2bwf n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bwf s ILE 37 N -3.28 4.32 0.45 -0.61 1.01 -1.26 -4.97 121.20 116.86 2bwf s ILE 37 Ca 0.00 1.62 -0.25 0.00 0.00 0.00 0.00 60.65 62.02 2bwf s ILE 37 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2bwf s ILE 37 CO 0.00 -0.06 1.28 -2.65 0.00 0.00 0.00 174.94 173.52 2bwf n PRO 38 N 5.75 1.89 -0.29 2.79 -0.02 -1.26 -4.34 135.00 139.51 2bwf n PRO 38 Ca 0.12 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.36 2bwf n PRO 38 Cb 0.46 -2.43 0.24 0.00 -0.02 0.00 0.00 33.50 31.75 2bwf n PRO 38 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bwf h VAL 39 N 1.95 0.66 0.00 -1.45 2.07 -1.93 -0.58 116.25 116.96 2bwf h VAL 39 Ca -0.49 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2bwf h VAL 39 Cb 1.30 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2bwf h VAL 39 CO 0.59 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 178.26 2bwf h ALA 40 N 1.59 1.38 -0.07 1.67 0.00 -1.97 -1.87 119.26 120.00 2bwf h ALA 40 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2bwf h ALA 40 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2bwf h ALA 40 CO -0.41 0.03 0.00 0.09 0.00 0.00 0.00 179.25 178.96 2bwf n ASN 41 N -3.67 2.50 -4.62 0.00 3.02 -0.23 -4.07 115.26 108.19 2bwf n ASN 41 Ca -0.03 -1.83 -0.40 0.00 -0.03 0.00 0.00 54.58 52.30 2bwf n ASN 41 Cb 0.11 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.17 2bwf n ASN 41 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bwf s GLN 42 N -1.93 4.07 -0.25 3.52 -0.21 -0.70 -0.84 119.66 123.31 2bwf s GLN 42 Ca 0.33 0.31 -0.07 0.00 0.02 0.00 0.00 55.36 55.94 2bwf s GLN 42 Cb 0.20 -3.65 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 2bwf s GLN 42 CO 0.31 -0.35 0.07 0.50 -2.12 0.00 0.00 175.29 173.71 2bwf s ARG 43 N 2.30 3.68 -0.09 2.91 3.52 -0.41 -4.96 118.95 125.91 2bwf s ARG 43 Ca 0.21 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.33 2bwf s ARG 43 Cb -0.16 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2bwf s ARG 43 CO 0.09 -0.17 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.89 2bwf s LEU 44 N 1.57 3.51 -0.06 -0.88 1.43 -1.26 -0.76 118.68 122.23 2bwf s LEU 44 Ca 0.06 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2bwf s LEU 44 Cb -0.15 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2bwf s LEU 44 CO 0.04 0.37 -0.10 -0.63 0.23 0.00 0.00 176.35 176.26 2bwf s ILE 45 N -0.82 0.98 -0.01 -0.59 1.09 0.09 -0.75 121.20 121.18 2bwf s ILE 45 Ca 0.13 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2bwf s ILE 45 Cb -0.11 -0.91 0.01 0.00 -1.06 0.00 0.00 42.46 40.39 2bwf s ILE 45 CO 0.02 0.32 0.00 -0.47 -0.10 0.00 0.00 174.94 174.72 2bwf s TYR 46 N 0.71 0.07 -1.65 3.97 5.04 -0.44 -1.21 117.35 123.85 2bwf s TYR 46 Ca -0.14 0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.36 2bwf s TYR 46 Cb -0.15 -0.13 0.13 0.00 0.35 0.00 0.00 41.96 42.16 2bwf s TYR 46 CO 0.03 -0.04 0.80 0.45 -1.34 0.00 0.00 175.55 175.45 2bwf n SER 47 N 3.49 -3.39 0.00 4.32 2.88 -1.26 -1.35 113.62 118.31 2bwf n SER 47 Ca -0.18 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2bwf n SER 47 Cb 0.56 -3.00 0.00 0.00 -0.75 0.00 0.00 64.21 61.02 2bwf n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bwf n GLY 48 N -1.50 0.64 3.36 0.46 0.00 -1.26 -5.01 105.19 101.88 2bwf n GLY 48 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2bwf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwf s LYS 49 N -0.18 2.40 0.08 1.61 1.02 -0.46 -5.10 119.74 119.10 2bwf s LYS 49 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 2bwf s LYS 49 Cb 0.00 -2.20 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 2bwf s LYS 49 CO 0.00 0.52 1.33 0.42 -0.92 0.00 0.00 175.35 176.70 2bwf s ILE 50 N -0.50 3.61 0.15 2.17 1.01 -1.26 -1.33 121.20 125.05 2bwf s ILE 50 Ca 0.06 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 2bwf s ILE 50 Cb -0.11 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 2bwf s ILE 50 CO 0.01 0.07 1.00 -0.76 0.00 0.00 0.00 174.94 175.26 2bwf s LEU 51 N 1.28 4.52 -0.13 2.97 1.43 0.07 -4.97 118.68 123.84 2bwf s LEU 51 Ca 0.62 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 2bwf s LEU 51 Cb -0.34 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 2bwf s LEU 51 CO 0.29 -0.07 0.13 -0.54 0.23 0.00 0.00 176.35 176.39 2bwf s LYS 52 N -0.29 3.55 0.55 1.70 1.02 -1.26 -4.73 119.74 120.28 2bwf s LYS 52 Ca 0.47 -0.16 0.21 0.00 0.02 0.00 0.00 55.97 56.51 2bwf s LYS 52 Cb -0.25 -3.21 1.47 0.00 -0.52 0.00 0.00 37.83 35.31 2bwf s LYS 52 CO 0.32 0.69 2.17 -0.44 -0.92 0.00 0.00 175.35 177.17 2bwf h ASP 53 N 5.28 0.00 -0.42 2.83 3.32 -1.96 -1.92 116.42 123.55 2bwf h ASP 53 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2bwf h ASP 53 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2bwf h ASP 53 CO 0.61 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 2bwf n ASP 54 N -4.28 2.98 -4.90 6.45 5.75 -1.26 -2.34 116.55 118.95 2bwf n ASP 54 Ca -0.02 -1.94 -0.26 0.00 -0.01 0.00 0.00 54.79 52.56 2bwf n ASP 54 Cb 0.12 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 2bwf n ASP 54 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2bwf s GLN 55 N -1.45 3.26 0.52 0.11 -1.52 -0.72 -4.92 119.66 114.94 2bwf s GLN 55 Ca 0.38 -0.71 -0.05 0.00 -1.95 0.00 0.00 55.36 53.03 2bwf s GLN 55 Cb 0.21 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 30.13 2bwf s GLN 55 CO 0.29 0.50 0.83 0.95 -0.25 0.00 0.00 175.29 177.61 2bwf s THR 56 N -1.78 4.39 0.16 -0.19 -4.23 -1.26 -0.60 115.64 112.13 2bwf s THR 56 Ca 0.33 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.80 2bwf s THR 56 Cb -0.10 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.08 2bwf s THR 56 CO 0.27 -0.69 1.79 0.58 -0.54 0.00 0.00 174.62 176.03 2bwf h VAL 57 N 0.07 1.01 -0.56 2.29 2.07 -1.13 -2.34 116.25 117.65 2bwf h VAL 57 Ca -0.46 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2bwf h VAL 57 Cb 1.23 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2bwf h VAL 57 CO 0.61 0.09 0.37 -0.08 0.02 0.00 0.00 177.57 178.58 2bwf h GLU 58 N 0.47 0.64 0.00 1.57 4.81 -1.43 -2.25 114.58 118.39 2bwf h GLU 58 Ca 0.18 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2bwf h GLU 58 Cb 0.05 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2bwf h GLU 58 CO -0.10 0.42 -0.03 0.66 -0.73 0.00 0.00 179.01 179.23 2bwf h SER 59 N 0.66 0.00 0.00 1.04 4.64 -1.69 0.49 113.55 118.69 2bwf h SER 59 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2bwf h SER 59 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2bwf h SER 59 CO -0.06 0.03 -0.05 -1.22 -0.87 0.00 0.00 176.83 174.67 2bwf n TYR 60 N -3.38 0.00 -2.20 4.77 4.01 -0.85 -4.95 117.16 114.56 2bwf n TYR 60 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 2bwf n TYR 60 Cb 0.15 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2bwf n TYR 60 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2bwf n HIS 61 N 0.41 -0.65 -2.16 -0.72 8.25 0.16 -4.96 115.22 115.56 2bwf n HIS 61 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2bwf n HIS 61 Cb 0.43 -3.12 -0.03 0.00 1.12 0.00 0.00 29.99 28.39 2bwf n HIS 61 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2bwf s ILE 62 N -2.74 3.50 0.32 1.59 1.01 -1.25 -5.00 121.20 118.62 2bwf s ILE 62 Ca 0.00 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.68 2bwf s ILE 62 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2bwf s ILE 62 CO 0.00 0.02 0.31 -1.10 0.00 0.00 0.00 174.94 174.17 2bwf s GLN 63 N 2.10 2.88 0.14 2.79 -1.52 -1.26 -4.82 119.66 119.97 2bwf s GLN 63 Ca 0.66 -1.17 -0.33 0.00 -1.95 0.00 0.00 55.36 52.57 2bwf s GLN 63 Cb -0.34 -2.58 -0.13 0.00 -0.22 0.00 0.00 33.01 29.74 2bwf s GLN 63 CO 0.28 0.16 1.68 -3.47 -0.25 0.00 0.00 175.29 173.69 2bwf n ASP 64 N -1.39 3.50 0.00 5.90 2.03 -1.26 -1.57 116.55 123.75 2bwf n ASP 64 Ca -0.03 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.33 2bwf n ASP 64 Cb 0.59 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2bwf n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bwf n GLY 65 N 3.77 0.84 3.87 0.27 0.00 0.15 -4.94 105.19 109.14 2bwf n GLY 65 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2bwf n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bwf s HIS 66 N -3.29 1.94 0.09 1.61 3.76 -0.61 -4.74 115.29 114.05 2bwf s HIS 66 Ca 0.00 0.52 0.10 0.00 -0.15 0.00 0.00 55.06 55.53 2bwf s HIS 66 Cb 0.00 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 2bwf s HIS 66 CO 0.00 -2.53 -0.26 -1.54 -0.85 0.00 0.00 174.74 169.57 2bwf s SER 67 N -4.59 3.32 -0.05 1.40 1.04 -1.26 -1.28 113.70 112.27 2bwf s SER 67 Ca 0.69 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 56.51 2bwf s SER 67 Cb -0.08 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 2bwf s SER 67 CO 0.52 0.21 -0.19 -0.69 0.98 0.00 0.00 173.24 174.08 2bwf s VAL 68 N -0.96 1.61 0.10 5.02 1.01 0.22 -4.89 120.40 122.51 2bwf s VAL 68 Ca 0.13 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2bwf s VAL 68 Cb -0.10 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2bwf s VAL 68 CO 0.05 0.46 0.72 -1.00 0.00 0.00 0.00 175.10 175.32 2bwf s HIS 69 N 0.06 3.82 -0.11 5.22 3.76 -0.35 -1.13 115.29 126.57 2bwf s HIS 69 Ca -0.06 1.48 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 2bwf s HIS 69 Cb -0.13 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 2bwf s HIS 69 CO 0.03 0.45 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.05 2bwf s LEU 70 N -0.76 2.62 -0.15 0.89 2.96 0.12 -0.74 118.68 123.62 2bwf s LEU 70 Ca 0.35 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2bwf s LEU 70 Cb -0.21 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2bwf s LEU 70 CO 0.23 0.21 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.61 2bwf s VAL 71 N 0.10 1.76 0.02 1.68 1.01 0.06 -4.47 120.40 120.55 2bwf s VAL 71 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2bwf s VAL 71 Cb -0.15 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 2bwf s VAL 71 CO 0.05 0.49 1.37 -0.54 0.00 0.00 0.00 175.10 176.47 2bwf s LYS 72 N 1.29 4.30 0.06 2.72 1.02 -1.26 -1.28 119.74 126.59 2bwf s LYS 72 Ca 0.02 1.94 -0.04 0.00 0.02 0.00 0.00 55.97 57.91 2bwf s LYS 72 Cb -0.13 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2bwf s LYS 72 CO -0.09 -0.52 0.05 -1.54 -0.92 0.00 0.00 175.35 172.33 2bwf s SER 73 N 1.68 0.35 0.39 2.83 1.04 -0.02 -4.95 113.70 115.02 2bwf s SER 73 Ca 0.63 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.94 2bwf s SER 73 Cb -0.31 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 2bwf s SER 73 CO 0.27 -0.64 1.17 -1.10 0.98 0.00 0.00 173.24 173.92 2bwf s GLN 74 N -3.84 4.12 0.00 4.02 -1.52 -1.26 -4.37 119.66 116.80 2bwf s GLN 74 Ca 0.06 1.85 0.12 0.00 -1.95 0.00 0.00 55.36 55.44 2bwf s GLN 74 Cb 0.07 -2.73 0.73 0.00 -0.22 0.00 0.00 33.01 30.85 2bwf s GLN 74 CO -0.10 -0.27 1.16 -2.30 -0.25 0.00 0.00 175.29 173.53