#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 -1.80 1.96 1.01 -1.26 -4.61 116.67 118.32 2bwf s ASP 0 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.54 2bwf s ASP 0 Cb 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.97 2bwf s ASP 0 CO 0.00 -0.07 0.00 0.23 0.21 0.00 0.00 175.17 175.54 2bwf n MET 1 N -0.97 -1.43 0.04 8.23 2.81 -1.26 -4.87 117.12 119.67 2bwf n MET 1 Ca -0.06 1.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.98 2bwf n MET 1 Cb 0.55 -5.47 0.21 0.00 -0.71 0.00 0.00 33.22 27.80 2bwf n MET 1 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2bwf n SER 2 N -1.37 0.60 -4.36 7.83 3.41 -1.04 -4.36 113.62 114.31 2bwf n SER 2 Ca -0.21 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.04 2bwf n SER 2 Cb 0.65 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 2bwf n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bwf s LEU 3 N -3.74 3.22 -0.42 1.04 1.43 -0.09 -4.87 118.68 115.25 2bwf s LEU 3 Ca 0.08 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 2bwf s LEU 3 Cb 0.15 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2bwf s LEU 3 CO 0.71 -0.05 0.58 0.21 0.23 0.00 0.00 176.35 178.03 2bwf s ASN 4 N 1.53 6.30 -0.11 2.29 3.04 -1.26 -1.35 114.94 125.37 2bwf s ASN 4 Ca 0.05 -0.36 0.02 0.00 0.04 0.00 0.00 52.86 52.61 2bwf s ASN 4 Cb -0.15 -2.29 -0.01 0.00 -1.54 0.00 0.00 41.25 37.26 2bwf s ASN 4 CO -0.00 -0.69 -0.18 -0.63 -3.04 0.00 0.00 177.10 172.56 2bwf s ILE 5 N 2.61 2.58 0.01 -5.21 1.01 -0.34 -0.27 121.20 121.60 2bwf s ILE 5 Ca 0.20 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 2bwf s ILE 5 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2bwf s ILE 5 CO 0.17 0.54 0.65 -1.00 0.00 0.00 0.00 174.94 175.30 2bwf s HIS 6 N 0.33 3.70 -0.19 3.97 3.76 -0.43 -1.46 115.29 124.97 2bwf s HIS 6 Ca -0.15 1.29 -0.02 0.00 -0.15 0.00 0.00 55.06 56.03 2bwf s HIS 6 Cb -0.17 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.84 2bwf s HIS 6 CO 0.07 0.33 -0.08 0.42 -0.85 0.00 0.00 174.74 174.63 2bwf s ILE 7 N -0.14 3.22 0.02 0.60 -1.09 0.15 -0.68 121.20 123.28 2bwf s ILE 7 Ca 0.33 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 2bwf s ILE 7 Cb -0.19 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2bwf s ILE 7 CO 0.19 0.47 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.62 2bwf s LYS 8 N 1.04 1.50 -0.29 2.79 1.02 -0.64 -0.66 119.74 124.49 2bwf s LYS 8 Ca -0.00 -0.88 -0.09 0.00 0.02 0.00 0.00 55.97 55.02 2bwf s LYS 8 Cb -0.15 -1.56 0.13 0.00 -0.52 0.00 0.00 37.83 35.74 2bwf s LYS 8 CO -0.01 0.41 0.63 0.45 -0.92 0.00 0.00 175.35 175.91 2bwf s SER 9 N -0.95 -1.08 1.85 2.83 0.15 -0.75 -1.34 113.70 114.40 2bwf s SER 9 Ca 0.08 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2bwf s SER 9 Cb -0.09 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 2bwf s SER 9 CO 0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2bwf n GLY 10 N 5.44 3.47 0.12 9.45 0.00 -1.26 -1.00 105.19 121.41 2bwf n GLY 10 Ca -0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2bwf n GLY 10 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bwf h GLN 11 N 0.00 0.00 -6.15 1.61 4.20 -2.03 -3.47 115.11 109.27 2bwf h GLN 11 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 2bwf h GLN 11 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2bwf h GLN 11 CO 0.00 0.00 -0.30 -0.51 -0.67 0.00 0.00 178.83 177.35 2bwf s ASP 12 N -4.73 6.52 -0.03 1.46 1.01 -0.17 -5.09 116.67 115.64 2bwf s ASP 12 Ca 0.10 0.63 -0.02 0.00 0.71 0.00 0.00 52.55 53.97 2bwf s ASP 12 Cb 0.11 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.95 2bwf s ASP 12 CO 0.59 0.08 0.07 -0.75 0.21 0.00 0.00 175.17 175.37 2bwf s LYS 13 N -2.50 0.06 0.33 8.23 2.20 -1.26 -1.81 119.74 124.99 2bwf s LYS 13 Ca 0.39 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 56.19 2bwf s LYS 13 Cb -0.12 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 2bwf s LYS 13 CO 0.23 -0.06 0.08 -1.58 -0.36 0.00 0.00 175.35 173.65 2bwf s TRP 14 N 0.42 1.86 -0.01 4.03 0.51 0.16 -4.98 118.94 120.92 2bwf s TRP 14 Ca -0.03 -1.06 0.04 0.00 -2.12 0.00 0.00 56.10 52.93 2bwf s TRP 14 Cb -0.05 -1.20 -0.01 0.00 -0.81 0.00 0.00 33.47 31.40 2bwf s TRP 14 CO -0.02 -0.11 -0.13 -1.21 -0.51 0.00 0.00 176.95 174.97 2bwf s GLU 15 N -3.88 1.10 0.26 4.98 2.02 -1.26 -0.67 118.70 121.25 2bwf s GLU 15 Ca 0.34 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.90 2bwf s GLU 15 Cb 0.07 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.19 2bwf s GLU 15 CO 0.15 0.28 0.00 0.14 0.02 0.00 0.00 175.26 175.85 2bwf s VAL 16 N -0.27 1.17 -0.15 2.63 -7.23 -0.54 -4.92 120.40 111.09 2bwf s VAL 16 Ca 0.04 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2bwf s VAL 16 Cb -0.06 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.45 2bwf s VAL 16 CO -0.00 -0.23 0.03 0.20 -0.31 0.00 0.00 175.10 174.78 2bwf s ASN 17 N -3.37 2.36 0.13 4.85 0.01 -1.26 -1.19 114.94 116.46 2bwf s ASN 17 Ca 0.31 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 2bwf s ASN 17 Cb 0.06 -0.51 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 2bwf s ASN 17 CO 0.11 -0.27 -0.01 0.68 -1.51 0.00 0.00 177.10 176.11 2bwf s VAL 18 N 1.92 0.50 0.39 1.60 -7.23 -0.46 -4.61 120.40 112.51 2bwf s VAL 18 Ca 0.02 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 2bwf s VAL 18 Cb -0.15 -1.91 -0.10 0.00 0.56 0.00 0.00 36.38 34.78 2bwf s VAL 18 CO -0.07 -0.65 0.90 0.00 -0.31 0.00 0.00 175.10 174.97 2bwf s ALA 19 N -3.77 3.12 0.47 1.32 0.00 -1.26 -0.91 121.76 120.73 2bwf s ALA 19 Ca 0.18 0.34 0.19 0.00 0.00 0.00 0.00 51.96 52.68 2bwf s ALA 19 Cb 0.06 -3.07 1.19 0.00 0.00 0.00 0.00 23.12 21.30 2bwf s ALA 19 CO -0.01 0.18 1.96 -1.35 0.00 0.00 0.00 175.76 176.54 2bwf h PRO 20 N 2.15 0.24 -0.00 0.00 0.11 -1.95 -0.94 132.00 131.61 2bwf h PRO 20 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2bwf h PRO 20 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bwf h PRO 20 CO 0.62 0.16 -0.03 0.39 -0.21 0.00 0.00 178.00 178.94 2bwf n GLU 21 N -4.44 0.40 -1.74 1.05 4.71 -1.26 -1.46 120.64 117.90 2bwf n GLU 21 Ca 0.12 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 2bwf n GLU 21 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 2bwf n GLU 21 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2bwf n SER 22 N -1.27 3.32 -4.81 1.62 7.64 -0.36 -4.78 113.62 114.98 2bwf n SER 22 Ca 0.13 1.20 -0.31 0.00 1.01 0.00 0.00 58.87 60.90 2bwf n SER 22 Cb 0.26 -1.57 0.07 0.00 -1.01 0.00 0.00 64.21 61.96 2bwf n SER 22 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2bwf s THR 23 N -1.13 3.61 0.39 0.44 -4.23 -1.26 -0.97 115.64 112.48 2bwf s THR 23 Ca 0.56 0.52 0.07 0.00 -1.18 0.00 0.00 61.69 61.65 2bwf s THR 23 Cb -0.50 -3.27 0.22 0.00 1.34 0.00 0.00 72.50 70.29 2bwf s THR 23 CO 0.62 -0.68 1.98 0.58 -0.54 0.00 0.00 174.62 176.58 2bwf h VAL 24 N -0.88 1.14 -0.38 2.29 2.07 -0.37 -0.14 116.25 119.98 2bwf h VAL 24 Ca -0.45 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2bwf h VAL 24 Cb 1.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2bwf h VAL 24 CO 0.58 0.17 0.20 0.25 0.02 0.00 0.00 177.57 178.79 2bwf h LEU 25 N 0.49 0.49 -1.04 2.57 5.85 -1.49 0.43 115.31 122.60 2bwf h LEU 25 Ca 0.12 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2bwf h LEU 25 Cb 0.12 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2bwf h LEU 25 CO -0.01 0.45 0.15 1.56 -0.34 0.00 0.00 178.44 180.25 2bwf h GLN 26 N 0.48 0.83 -0.52 1.25 4.20 -1.66 -1.17 115.11 118.53 2bwf h GLN 26 Ca 0.13 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.70 2bwf h GLN 26 Cb 0.08 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2bwf h GLN 26 CO -0.02 0.74 0.31 0.35 -0.67 0.00 0.00 178.83 179.54 2bwf h PHE 27 N 0.81 0.58 -0.65 2.96 -0.00 -0.56 -1.64 116.94 118.45 2bwf h PHE 27 Ca 0.18 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 58.13 2bwf h PHE 27 Cb 0.27 -0.19 -0.03 0.00 -0.00 0.00 0.00 35.95 36.00 2bwf h PHE 27 CO 0.02 0.33 0.25 0.87 -0.00 0.00 0.00 178.31 179.78 2bwf h LYS 28 N 0.62 0.95 -0.76 1.11 1.57 -0.40 -0.47 116.57 119.19 2bwf h LYS 28 Ca 0.21 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2bwf h LYS 28 Cb 0.02 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 2bwf h LYS 28 CO -0.09 0.78 0.44 0.93 -0.57 0.00 0.00 179.45 180.94 2bwf h GLU 29 N 0.93 1.04 -0.78 3.15 5.08 -0.85 0.75 114.58 123.91 2bwf h GLU 29 Ca 0.22 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2bwf h GLU 29 Cb 0.19 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2bwf h GLU 29 CO -0.02 0.75 0.35 0.00 -1.00 0.00 0.00 179.01 179.10 2bwf h ALA 30 N 1.23 1.01 -0.35 3.43 0.00 -0.66 -1.83 119.26 122.10 2bwf h ALA 30 Ca 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2bwf h ALA 30 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2bwf h ALA 30 CO -0.05 0.59 0.15 0.82 0.00 0.00 0.00 179.25 180.77 2bwf h ILE 31 N 1.11 1.17 -0.97 0.00 2.04 -0.70 -2.17 117.51 117.99 2bwf h ILE 31 Ca 0.26 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.70 2bwf h ILE 31 Cb 0.15 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2bwf h ILE 31 CO -0.03 0.18 0.62 -1.13 0.00 0.00 0.00 178.15 177.80 2bwf h ASN 32 N 0.42 0.94 0.05 1.72 -0.73 -0.63 -0.20 115.58 117.15 2bwf h ASN 32 Ca 0.12 0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.23 2bwf h ASN 32 Cb 0.15 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2bwf h ASN 32 CO -0.01 0.56 -0.23 0.11 -0.37 0.00 0.00 177.43 177.50 2bwf h LYS 33 N 1.05 0.31 0.04 6.67 1.57 -1.00 0.11 116.57 125.32 2bwf h LYS 33 Ca 0.44 -0.10 -0.23 0.00 -1.87 0.00 0.00 60.65 58.89 2bwf h LYS 33 Cb 0.32 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2bwf h LYS 33 CO -0.20 0.52 -1.01 0.00 -0.57 0.00 0.00 179.45 178.20 2bwf h ALA 34 N 1.49 0.33 0.00 3.86 0.00 -0.53 -3.41 119.26 120.99 2bwf h ALA 34 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2bwf h ALA 34 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bwf h ALA 34 CO 0.04 0.89 0.00 0.27 0.00 0.00 0.00 179.25 180.45 2bwf n ASN 35 N -3.66 0.25 0.00 0.00 0.23 -0.23 -5.02 115.26 106.83 2bwf n ASN 35 Ca -0.06 -0.75 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 2bwf n ASN 35 Cb 0.88 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 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 0.11 0.56 3.67 4.83 0.00 0.38 -4.99 105.19 109.75 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 -2.53 4.24 0.30 -0.61 -1.09 -1.26 -4.95 121.20 115.30 2bwf s ILE 37 Ca 0.00 1.53 -0.29 0.00 -2.23 0.00 0.00 60.65 59.66 2bwf s ILE 37 Cb 0.00 -3.99 -0.13 0.00 -1.58 0.00 0.00 42.46 36.76 2bwf s ILE 37 CO 0.00 -0.08 1.27 -2.65 -1.23 0.00 0.00 174.94 172.25 2bwf n PRO 38 N 6.03 1.93 -0.25 2.79 -0.02 -1.26 -4.32 135.00 139.90 2bwf n PRO 38 Ca 0.13 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 2bwf n PRO 38 Cb 0.45 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.60 0.44 0.00 -1.45 2.07 -1.92 -1.53 116.25 116.46 2bwf h VAL 39 Ca -0.44 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2bwf h VAL 39 Cb 1.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2bwf h VAL 39 CO 0.66 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2bwf h ALA 40 N 1.65 1.00 0.00 1.67 0.00 -1.98 -2.41 119.26 119.19 2bwf h ALA 40 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2bwf h ALA 40 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2bwf h ALA 40 CO -0.57 0.00 -0.64 0.09 0.00 0.00 0.00 179.25 178.13 2bwf n ASN 41 N -2.68 0.63 -4.71 0.00 5.03 -0.58 -4.93 115.26 108.01 2bwf n ASN 41 Ca 0.01 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.05 2bwf n ASN 41 Cb 0.26 0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 2bwf n ASN 41 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2bwf s GLN 42 N -3.13 4.56 -0.14 3.52 -0.21 -0.91 -4.78 119.66 118.57 2bwf s GLN 42 Ca 0.07 1.48 0.02 0.00 0.02 0.00 0.00 55.36 56.95 2bwf s GLN 42 Cb 0.14 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.73 2bwf s GLN 42 CO 0.72 -0.04 -0.20 0.50 -2.12 0.00 0.00 175.29 174.15 2bwf s ARG 43 N 0.86 3.09 -0.10 2.91 3.52 -1.05 -5.03 118.95 123.14 2bwf s ARG 43 Ca 0.52 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2bwf s ARG 43 Cb -0.23 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2bwf s ARG 43 CO 0.29 0.02 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.17 2bwf s LEU 44 N 0.77 2.88 -0.10 -0.88 1.43 -1.26 -0.89 118.68 120.62 2bwf s LEU 44 Ca -0.08 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2bwf s LEU 44 Cb -0.16 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2bwf s LEU 44 CO -0.00 0.26 -0.21 -0.63 0.23 0.00 0.00 176.35 176.00 2bwf s ILE 45 N -0.21 1.84 -0.02 -0.59 1.01 -0.05 -0.96 121.20 122.21 2bwf s ILE 45 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2bwf s ILE 45 Cb -0.13 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2bwf s ILE 45 CO 0.03 0.51 -0.01 -0.47 0.00 0.00 0.00 174.94 175.00 2bwf s TYR 46 N 0.56 0.31 -1.43 3.97 5.04 -0.38 -1.30 117.35 124.13 2bwf s TYR 46 Ca -0.15 -0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.37 2bwf s TYR 46 Cb -0.17 -0.37 0.07 0.00 0.35 0.00 0.00 41.96 41.84 2bwf s TYR 46 CO 0.05 -0.10 0.68 0.45 -1.34 0.00 0.00 175.55 175.28 2bwf n SER 47 N 3.90 -4.49 0.00 4.32 2.88 -1.26 -1.47 113.62 117.51 2bwf n SER 47 Ca -0.24 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2bwf n SER 47 Cb 0.52 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 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 -1.40 0.95 3.42 0.46 0.00 -1.26 -5.01 105.19 102.35 2bwf n GLY 48 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 1.76 0.11 1.61 3.01 -0.54 -5.09 119.74 120.56 2bwf s LYS 49 Ca 0.00 -1.16 -0.31 0.00 -1.01 0.00 0.00 55.97 53.50 2bwf s LYS 49 Cb 0.00 -2.05 -0.07 0.00 -1.01 0.00 0.00 37.83 34.70 2bwf s LYS 49 CO 0.00 0.49 1.24 0.42 0.51 0.00 0.00 175.35 178.01 2bwf s ILE 50 N -1.00 3.76 0.11 2.17 1.01 -1.26 -1.24 121.20 124.74 2bwf s ILE 50 Ca 0.15 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 2bwf s ILE 50 Cb -0.10 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 2bwf s ILE 50 CO 0.06 0.13 1.01 -0.76 0.00 0.00 0.00 174.94 175.38 2bwf s LEU 51 N 0.73 4.47 -0.14 2.97 1.43 -0.13 -4.96 118.68 123.04 2bwf s LEU 51 Ca 0.58 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2bwf s LEU 51 Cb -0.32 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2bwf s LEU 51 CO 0.31 -0.15 0.09 -0.54 0.23 0.00 0.00 176.35 176.30 2bwf s LYS 52 N 0.14 3.63 0.27 1.70 -0.14 -1.26 -4.72 119.74 119.35 2bwf s LYS 52 Ca 0.49 -0.25 -0.01 0.00 -1.36 0.00 0.00 55.97 54.84 2bwf s LYS 52 Cb -0.25 -3.17 0.57 0.00 -1.68 0.00 0.00 37.83 33.30 2bwf s LYS 52 CO 0.30 0.56 1.73 -0.44 -0.76 0.00 0.00 175.35 176.74 2bwf h ASP 53 N 5.74 0.40 1.67 2.83 3.32 -1.96 -1.86 116.42 126.55 2bwf h ASP 53 Ca -0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2bwf h ASP 53 Cb 1.19 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2bwf h ASP 53 CO 0.64 0.12 -0.05 0.44 -1.72 0.00 0.00 179.24 178.67 2bwf h ASP 54 N 0.51 0.00 -4.23 6.45 3.32 -1.95 -1.04 116.42 119.47 2bwf h ASP 54 Ca 0.48 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 57.03 2bwf h ASP 54 Cb 0.76 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.36 2bwf h ASP 54 CO -0.42 0.00 0.38 -1.10 -1.72 0.00 0.00 179.24 176.38 2bwf s GLN 55 N -3.16 3.53 0.49 3.56 -1.52 -0.70 -4.75 119.66 117.11 2bwf s GLN 55 Ca 0.09 1.02 -0.09 0.00 -1.95 0.00 0.00 55.36 54.43 2bwf s GLN 55 Cb 0.09 -2.07 -0.05 0.00 -0.22 0.00 0.00 33.01 30.76 2bwf s GLN 55 CO 0.64 -0.62 0.86 0.95 -0.25 0.00 0.00 175.29 176.86 2bwf s THR 56 N -2.69 4.79 0.19 -0.19 -4.23 -1.26 -0.65 115.64 111.60 2bwf s THR 56 Ca 0.60 0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 61.57 2bwf s THR 56 Cb -0.13 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 69.99 2bwf s THR 56 CO 0.39 -0.80 1.82 0.58 -0.54 0.00 0.00 174.62 176.08 2bwf h VAL 57 N 0.44 1.05 0.00 2.29 2.07 -1.02 -2.33 116.25 118.76 2bwf h VAL 57 Ca -0.46 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2bwf h VAL 57 Cb 1.19 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2bwf h VAL 57 CO 0.62 0.12 -0.09 1.05 0.02 0.00 0.00 177.57 179.30 2bwf h GLU 58 N 0.67 0.00 0.00 1.57 4.11 -1.51 -2.44 114.58 116.98 2bwf h GLU 58 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 2bwf h GLU 58 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bwf h GLU 58 CO -0.11 0.09 -0.06 0.66 0.07 0.00 0.00 179.01 179.67 2bwf h SER 59 N 0.00 0.00 -0.14 3.06 4.64 -1.69 -1.41 113.55 118.01 2bwf h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwf h SER 59 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2bwf h SER 59 CO 0.01 0.06 0.00 -1.22 -0.87 0.00 0.00 176.83 174.81 2bwf n TYR 60 N -3.24 0.16 -2.18 4.77 4.01 -0.92 -4.94 117.16 114.82 2bwf n TYR 60 Ca -0.01 -0.08 -0.16 0.00 -0.16 0.00 0.00 57.90 57.49 2bwf n TYR 60 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.58 -0.66 -2.52 -0.72 8.25 -0.53 -4.97 115.22 114.65 2bwf n HIS 61 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 2bwf n HIS 61 Cb 0.41 -3.24 -0.03 0.00 1.12 0.00 0.00 29.99 28.26 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 -2.78 4.39 0.45 1.59 1.01 -1.22 -5.01 121.20 119.63 2bwf s ILE 62 Ca 0.00 1.71 0.04 0.00 0.00 0.00 0.00 60.65 62.40 2bwf s ILE 62 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2bwf s ILE 62 CO 0.00 0.03 0.01 -1.10 0.00 0.00 0.00 174.94 173.88 2bwf s GLN 63 N 1.92 2.05 0.23 2.79 -0.21 -1.26 -4.62 119.66 120.56 2bwf s GLN 63 Ca 0.54 -2.23 -0.32 0.00 0.02 0.00 0.00 55.36 53.37 2bwf s GLN 63 Cb -0.24 -1.56 -0.12 0.00 1.00 0.00 0.00 33.01 32.09 2bwf s GLN 63 CO 0.22 -0.19 1.65 -3.47 -2.12 0.00 0.00 175.29 171.38 2bwf n ASP 64 N -1.10 3.77 0.00 5.90 2.03 -1.26 -1.81 116.55 124.08 2bwf n ASP 64 Ca -0.11 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2bwf n ASP 64 Cb 0.67 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 3.26 1.27 3.80 0.27 0.00 0.63 -4.93 105.19 109.48 2bwf n GLY 65 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.01 2.72 0.11 1.61 3.76 -0.75 -4.76 115.29 114.98 2bwf s HIS 66 Ca 0.00 1.00 0.11 0.00 -0.15 0.00 0.00 55.06 56.02 2bwf s HIS 66 Cb 0.00 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2bwf s HIS 66 CO 0.00 -2.00 -0.27 -1.12 -0.85 0.00 0.00 174.74 170.50 2bwf s SER 67 N -4.00 3.28 -0.01 1.40 0.01 -1.26 -1.32 113.70 111.80 2bwf s SER 67 Ca 0.62 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 57.21 2bwf s SER 67 Cb -0.14 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 2bwf s SER 67 CO 0.53 0.19 -0.16 -0.69 0.41 0.00 0.00 173.24 173.53 2bwf s VAL 68 N -1.02 1.25 -0.28 3.43 1.01 0.15 -4.90 120.40 120.05 2bwf s VAL 68 Ca 0.13 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2bwf s VAL 68 Cb -0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2bwf s VAL 68 CO 0.05 0.35 0.45 -2.28 0.00 0.00 0.00 175.10 173.67 2bwf s HIS 69 N -0.38 3.25 -0.18 5.22 2.46 -0.42 -1.62 115.29 123.62 2bwf s HIS 69 Ca 0.06 0.47 -0.18 0.00 0.47 0.00 0.00 55.06 55.88 2bwf s HIS 69 Cb -0.06 -2.67 -0.03 0.00 -0.13 0.00 0.00 32.58 29.68 2bwf s HIS 69 CO -0.01 -0.29 0.51 -1.17 -2.47 0.00 0.00 174.74 171.31 2bwf s LEU 70 N 2.21 4.18 0.27 8.88 2.96 -0.45 -0.87 118.68 135.86 2bwf s LEU 70 Ca 0.18 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2bwf s LEU 70 Cb -0.16 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2bwf s LEU 70 CO 0.10 -0.13 0.08 0.68 -1.32 0.00 0.00 176.35 175.76 2bwf s VAL 71 N 1.36 0.75 0.05 1.68 -7.23 -0.07 -4.50 120.40 112.45 2bwf s VAL 71 Ca 0.25 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.50 2bwf s VAL 71 Cb -0.15 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2bwf s VAL 71 CO 0.10 -0.03 -0.25 -1.59 -0.31 0.00 0.00 175.10 173.02 2bwf s LYS 72 N -3.98 1.83 0.44 4.82 -2.85 -1.26 -2.54 119.74 116.19 2bwf s LYS 72 Ca 0.37 -1.10 -0.23 0.00 -1.00 0.00 0.00 55.97 54.01 2bwf s LYS 72 Cb 0.08 -2.01 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 2bwf s LYS 72 CO 0.14 0.51 1.12 -1.54 0.10 0.00 0.00 175.35 175.68 2bwf s SER 73 N -1.31 6.40 0.08 0.03 1.04 -1.26 -4.97 113.70 113.71 2bwf s SER 73 Ca 0.12 2.19 -0.31 0.00 0.48 0.00 0.00 55.95 58.44 2bwf s SER 73 Cb -0.10 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.36 2bwf s SER 73 CO 0.03 -0.75 1.34 -1.58 0.98 0.00 0.00 173.24 173.26 2bwf s GLN 74 N -2.64 4.34 0.00 4.02 0.74 -1.26 -5.20 119.66 119.66 2bwf s GLN 74 Ca 0.61 1.98 0.05 0.00 0.05 0.00 0.00 55.36 58.05 2bwf s GLN 74 Cb -0.26 -3.32 0.32 0.00 1.10 0.00 0.00 33.01 30.85 2bwf s GLN 74 CO 0.31 -0.41 0.79 -2.30 -0.55 0.00 0.00 175.29 173.13