#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfa h LEU 16 N 0.00 0.86 -0.32 1.04 5.85 -2.05 -1.17 115.31 119.53 2qfa h LEU 16 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qfa h LEU 16 Cb 0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2qfa h LEU 16 CO 0.00 0.57 0.20 -0.09 -0.34 0.00 0.00 178.44 178.78 2qfa h ARG 17 N 1.00 0.40 -0.57 1.25 2.43 -2.05 0.53 114.38 117.38 2qfa h ARG 17 Ca 0.36 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 2qfa h ARG 17 Cb 0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2qfa h ARG 17 CO -0.15 0.27 0.07 0.00 -1.51 0.00 0.00 179.97 178.64 2qfa h ARG 18 N 0.41 0.93 -0.42 0.20 3.08 -1.90 -0.42 114.38 116.26 2qfa h ARG 18 Ca 0.12 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 2qfa h ARG 18 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2qfa h ARG 18 CO -0.03 0.88 -0.18 0.00 -1.07 0.00 0.00 179.97 179.57 2qfa h ARG 19 N 0.88 0.81 -0.56 0.04 3.08 -0.92 -1.16 114.38 116.55 2qfa h ARG 19 Ca 0.18 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2qfa h ARG 19 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2qfa h ARG 19 CO 0.01 0.93 0.21 -0.22 -1.07 0.00 0.00 179.97 179.83 2qfa h LYS 20 N 0.72 0.84 -0.20 0.04 3.64 -0.59 -1.44 116.57 119.57 2qfa h LYS 20 Ca 0.11 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2qfa h LYS 20 Cb 0.69 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2qfa h LYS 20 CO 0.05 0.74 0.08 1.25 -2.27 0.00 0.00 179.45 179.30 2qfa h LEU 21 N 0.77 0.28 -0.70 5.20 5.85 -0.85 -1.45 115.31 124.41 2qfa h LEU 21 Ca 0.19 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2qfa h LEU 21 Cb 0.22 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2qfa h LEU 21 CO -0.01 0.36 0.46 0.00 -0.34 0.00 0.00 178.44 178.91 2qfa h ALA 22 N 0.93 0.89 -0.46 1.25 0.00 -1.04 -0.37 119.26 120.45 2qfa h ALA 22 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qfa h ALA 22 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2qfa h ALA 22 CO -0.01 0.30 0.16 0.77 0.00 0.00 0.00 179.25 180.48 2qfa h SER 23 N 0.94 0.66 -0.56 0.00 0.02 -1.15 -1.58 113.55 111.88 2qfa h SER 23 Ca 0.26 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2qfa h SER 23 Cb -0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2qfa h SER 23 CO -0.06 0.67 0.25 0.15 -1.14 0.00 0.00 176.83 176.70 2qfa h PHE 24 N 0.61 0.82 -0.15 3.45 3.57 -0.83 -2.66 116.94 121.75 2qfa h PHE 24 Ca 0.15 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2qfa h PHE 24 Cb 0.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2qfa h PHE 24 CO 0.01 0.65 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.31 2qfa h LEU 25 N 0.76 0.31 -0.43 0.59 3.38 -0.94 -1.22 115.31 117.77 2qfa h LEU 25 Ca 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2qfa h LEU 25 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2qfa h LEU 25 CO -0.02 0.65 0.17 0.11 0.09 0.00 0.00 178.44 179.44 2qfa h LYS 26 N 0.26 0.64 -0.28 1.13 1.57 -1.02 0.11 116.57 118.98 2qfa h LYS 26 Ca 0.03 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2qfa h LYS 26 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2qfa h LYS 26 CO 0.06 0.59 0.06 0.22 -0.57 0.00 0.00 179.45 179.81 2qfa h ASP 27 N 0.55 0.44 -0.23 0.86 1.82 -1.31 -2.20 116.42 116.34 2qfa h ASP 27 Ca 0.14 -0.25 0.02 0.00 -0.39 0.00 0.00 57.03 56.56 2qfa h ASP 27 Cb 0.19 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 2qfa h ASP 27 CO -0.01 0.57 0.07 0.15 -1.61 0.00 0.00 179.24 178.41 2qfa h PHE 28 N 0.29 0.13 -0.82 0.28 3.57 -1.06 -1.87 116.94 117.46 2qfa h PHE 28 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2qfa h PHE 28 Cb 0.31 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2qfa h PHE 28 CO 0.02 0.06 0.41 -0.44 -2.23 0.00 0.00 178.31 176.12 2qfa h ASP 29 N 0.17 1.07 -0.36 0.41 3.32 -0.70 -0.04 116.42 120.29 2qfa h ASP 29 Ca 0.10 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2qfa h ASP 29 Cb 0.07 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2qfa h ASP 29 CO -0.11 0.90 0.18 -0.09 -1.72 0.00 0.00 179.24 178.40 2qfa h ARG 30 N 1.17 0.51 -0.42 3.56 2.43 -1.22 -2.23 114.38 118.17 2qfa h ARG 30 Ca 0.28 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2qfa h ARG 30 Cb 0.10 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2qfa h ARG 30 CO -0.04 0.45 0.23 0.93 -1.51 0.00 0.00 179.97 180.03 2qfa h GLU 31 N 0.44 0.58 -0.79 0.20 4.39 -0.79 -2.45 114.58 116.16 2qfa h GLU 31 Ca 0.12 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2qfa h GLU 31 Cb 0.10 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2qfa h GLU 31 CO -0.02 0.46 0.48 0.28 -1.16 0.00 0.00 179.01 179.06 2qfa h VAL 32 N 0.54 1.22 -0.44 3.13 2.07 -0.90 -0.83 116.25 121.05 2qfa h VAL 32 Ca 0.15 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2qfa h VAL 32 Cb 0.05 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2qfa h VAL 32 CO -0.02 0.23 0.16 -0.08 0.02 0.00 0.00 177.57 177.87 2qfa h GLU 33 N 1.09 0.67 -0.50 1.57 4.57 -1.18 -0.87 114.58 119.92 2qfa h GLU 33 Ca 0.28 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 58.23 2qfa h GLU 33 Cb -0.04 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2qfa h GLU 33 CO -0.05 0.63 -0.09 0.82 -1.18 0.00 0.00 179.01 179.13 2qfa h ILE 34 N 0.57 1.26 -0.52 2.32 1.08 -1.25 -2.01 117.51 118.96 2qfa h ILE 34 Ca 0.14 -1.21 -0.06 0.00 -0.39 0.00 0.00 64.86 63.35 2qfa h ILE 34 Cb 0.23 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 2qfa h ILE 34 CO -0.01 0.42 0.07 0.03 -0.69 0.00 0.00 178.15 177.97 2qfa h ARG 35 N 0.82 0.82 -0.56 2.37 3.08 -0.84 -0.68 114.38 119.40 2qfa h ARG 35 Ca 0.14 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2qfa h ARG 35 Cb 0.62 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2qfa h ARG 35 CO 0.04 0.78 0.19 0.82 -1.07 0.00 0.00 179.97 180.73 2qfa h ILE 36 N 0.78 1.23 -0.72 2.04 2.04 -0.88 -0.42 117.51 121.58 2qfa h ILE 36 Ca 0.16 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2qfa h ILE 36 Cb 0.37 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2qfa h ILE 36 CO 0.01 0.29 0.24 0.11 0.00 0.00 0.00 178.15 178.80 2qfa h LYS 37 N 0.77 1.10 -0.43 2.37 1.79 -0.95 -1.23 116.57 119.98 2qfa h LYS 37 Ca 0.18 -0.22 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 2qfa h LYS 37 Cb 0.26 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2qfa h LYS 37 CO -0.01 0.93 -0.04 0.37 -1.08 0.00 0.00 179.45 179.61 2qfa h GLN 38 N 1.06 0.79 -0.52 3.15 5.75 -0.72 -0.49 115.11 124.13 2qfa h GLN 38 Ca 0.23 -0.27 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2qfa h GLN 38 Cb 0.28 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 2qfa h GLN 38 CO -0.01 0.88 0.23 0.82 -2.65 0.00 0.00 178.83 178.10 2qfa h ILE 39 N 0.62 0.90 -0.72 2.39 2.04 -0.85 0.24 117.51 122.13 2qfa h ILE 39 Ca 0.12 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2qfa h ILE 39 Cb 0.55 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2qfa h ILE 39 CO 0.03 0.08 0.27 -0.08 0.00 0.00 0.00 178.15 178.46 2qfa h GLU 40 N 0.45 1.09 -0.47 2.37 4.57 -0.91 0.44 114.58 122.13 2qfa h GLU 40 Ca 0.24 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2qfa h GLU 40 Cb 0.20 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2qfa h GLU 40 CO -0.20 0.91 0.22 1.03 -1.18 0.00 0.00 179.01 179.79 2qfa h SER 41 N 1.05 0.61 -0.73 1.04 0.87 -0.57 -0.72 113.55 115.10 2qfa h SER 41 Ca 0.24 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2qfa h SER 41 Cb 0.24 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2qfa h SER 41 CO -0.02 0.57 0.35 0.44 -0.53 0.00 0.00 176.83 177.64 2qfa h ASP 42 N 0.61 0.98 -0.36 6.23 3.32 -0.57 -0.57 116.42 126.05 2qfa h ASP 42 Ca 0.16 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2qfa h ASP 42 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2qfa h ASP 42 CO -0.02 0.83 0.12 -0.09 -1.72 0.00 0.00 179.24 178.37 2qfa h ARG 43 N 1.07 0.56 -0.50 3.56 2.43 -0.60 -0.95 114.38 119.94 2qfa h ARG 43 Ca 0.26 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2qfa h ARG 43 Cb 0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2qfa h ARG 43 CO -0.03 0.57 -0.01 1.96 -1.51 0.00 0.00 179.97 180.95 2qfa h GLN 44 N 0.43 0.85 -0.34 0.20 1.08 -0.73 -1.45 115.11 115.15 2qfa h GLN 44 Ca 0.12 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2qfa h GLN 44 Cb 0.24 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2qfa h GLN 44 CO -0.01 0.85 -0.18 -0.91 -0.95 0.00 0.00 178.83 177.64 2qfa h ASN 45 N 0.78 0.63 -0.48 1.46 2.35 -0.88 -1.25 115.58 118.19 2qfa h ASN 45 Ca 0.15 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 2qfa h ASN 45 Cb 0.49 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2qfa h ASN 45 CO 0.02 0.81 -0.12 0.25 -1.65 0.00 0.00 177.43 176.74 2qfa h LEU 46 N 0.57 0.93 -0.86 1.61 5.85 -0.74 -0.20 115.31 122.47 2qfa h LEU 46 Ca 0.09 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2qfa h LEU 46 Cb 0.62 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2qfa h LEU 46 CO 0.04 1.08 0.45 -0.07 -0.34 0.00 0.00 178.44 179.61 2qfa h LEU 47 N 0.77 1.08 -0.78 2.25 3.38 -1.06 -0.46 115.31 120.50 2qfa h LEU 47 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2qfa h LEU 47 Cb 0.68 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2qfa h LEU 47 CO 0.05 0.89 0.14 0.50 0.09 0.00 0.00 178.44 180.10 2qfa h LYS 48 N 1.20 1.06 -0.54 1.13 1.63 -1.01 -1.62 116.57 118.42 2qfa h LYS 48 Ca 0.30 -0.26 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2qfa h LYS 48 Cb 0.06 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2qfa h LYS 48 CO -0.04 0.95 0.08 1.49 -3.45 0.00 0.00 179.45 178.48 2qfa h GLU 49 N 1.00 0.89 -0.49 1.90 4.81 -0.50 -0.69 114.58 121.51 2qfa h GLU 49 Ca 0.21 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2qfa h GLU 49 Cb 0.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2qfa h GLU 49 CO 0.01 0.87 0.20 0.28 -0.73 0.00 0.00 179.01 179.64 2qfa h VAL 50 N 0.78 1.21 -0.42 0.32 2.07 -0.88 0.86 116.25 120.19 2qfa h VAL 50 Ca 0.16 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2qfa h VAL 50 Cb 0.41 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2qfa h VAL 50 CO 0.01 0.24 0.06 -0.78 0.02 0.00 0.00 177.57 177.12 2qfa h ASP 51 N 0.64 -0.05 -0.34 0.57 3.58 -1.08 -1.84 116.42 117.90 2qfa h ASP 51 Ca 0.16 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2qfa h ASP 51 Cb 0.18 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2qfa h ASP 51 CO -0.02 0.01 0.08 0.78 -2.88 0.00 0.00 179.24 177.21 2qfa h ASN 52 N 0.18 0.53 -0.59 2.28 2.35 -0.60 -1.52 115.58 118.20 2qfa h ASN 52 Ca 0.21 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2qfa h ASN 52 Cb 0.27 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2qfa h ASN 52 CO -0.29 0.62 0.38 -0.07 -1.65 0.00 0.00 177.43 176.42 2qfa h LEU 53 N 0.40 0.64 -0.28 1.61 3.38 -0.57 0.10 115.31 120.60 2qfa h LEU 53 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qfa h LEU 53 Cb 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qfa h LEU 53 CO 0.00 0.46 0.08 1.88 0.09 0.00 0.00 178.44 180.95 2qfa h TYR 54 N 0.76 0.46 -0.58 1.13 -1.99 -1.23 -2.07 116.97 113.45 2qfa h TYR 54 Ca 0.23 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 2qfa h TYR 54 Cb -0.04 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.53 2qfa h TYR 54 CO -0.04 0.49 0.15 -0.91 -0.00 0.00 0.00 178.16 177.85 2qfa h ASN 55 N 0.29 0.83 -0.57 3.88 2.35 -0.90 -0.61 115.58 120.85 2qfa h ASN 55 Ca 0.09 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2qfa h ASN 55 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2qfa h ASN 55 CO -0.00 0.80 0.26 0.40 -1.65 0.00 0.00 177.43 177.23 2qfa h ILE 56 N 0.86 1.21 -0.52 2.81 2.04 -0.72 -1.68 117.51 121.50 2qfa h ILE 56 Ca 0.19 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 2qfa h ILE 56 Cb 0.29 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2qfa h ILE 56 CO -0.00 0.25 -0.02 -0.33 0.00 0.00 0.00 178.15 178.05 2qfa h GLU 57 N 0.78 0.90 -0.66 2.37 4.39 -0.66 0.38 114.58 122.08 2qfa h GLU 57 Ca 0.19 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2qfa h GLU 57 Cb 0.15 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2qfa h GLU 57 CO -0.02 0.90 0.33 0.82 -1.16 0.00 0.00 179.01 179.88 2qfa h ILE 58 N 0.83 1.22 -0.53 3.13 2.04 -0.96 -2.45 117.51 120.79 2qfa h ILE 58 Ca 0.15 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2qfa h ILE 58 Cb 0.52 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2qfa h ILE 58 CO 0.03 0.25 0.09 0.25 0.00 0.00 0.00 178.15 178.77 2qfa h LEU 59 N 0.91 0.78 -1.13 1.44 5.85 -0.95 -3.10 115.31 119.11 2qfa h LEU 59 Ca 0.23 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2qfa h LEU 59 Cb 0.09 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2qfa h LEU 59 CO -0.03 0.79 -0.36 0.03 -0.34 0.00 0.00 178.44 178.53 2qfa h ARG 60 N 0.79 0.00 -6.81 1.25 3.08 -0.50 -3.45 114.38 108.74 2qfa h ARG 60 Ca 0.17 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.69 2qfa h ARG 60 Cb 0.35 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.47 2qfa h ARG 60 CO 0.01 0.36 0.79 -0.51 -1.07 0.00 0.00 179.97 179.54 2qfa s LEU 61 N -7.38 4.37 0.46 3.04 1.43 -0.96 -4.97 118.68 114.67 2qfa s LEU 61 Ca -0.01 2.82 -0.24 0.00 -1.03 0.00 0.00 54.13 55.67 2qfa s LEU 61 Cb 0.12 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 2qfa s LEU 61 CO 0.69 -0.78 1.23 -2.65 0.23 0.00 0.00 176.35 175.06 2qfa n PRO 62 N 1.80 1.74 -0.32 1.29 -0.02 -1.26 -4.79 135.00 133.43 2qfa n PRO 62 Ca 0.05 0.62 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 2qfa n PRO 62 Cb 0.39 -2.35 0.23 0.00 -0.02 0.00 0.00 33.50 31.75 2qfa n PRO 62 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2qfa h LYS 63 N 1.79 0.77 0.00 -0.52 3.64 -1.95 -0.70 116.57 119.59 2qfa h LYS 63 Ca -0.48 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 2qfa h LYS 63 Cb 1.31 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2qfa h LYS 63 CO 0.58 0.51 -0.17 0.00 -2.27 0.00 0.00 179.45 178.11 2qfa h ALA 64 N 1.54 1.64 0.19 5.00 0.00 -1.98 -0.85 119.26 124.80 2qfa h ALA 64 Ca 0.48 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.91 2qfa h ALA 64 Cb 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2qfa h ALA 64 CO -0.31 0.21 -1.62 -0.07 0.00 0.00 0.00 179.25 177.46 2qfa h LEU 65 N 0.00 0.62 -1.71 0.00 3.38 -1.60 -3.18 115.31 112.82 2qfa h LEU 65 Ca -0.00 -0.92 0.06 0.00 0.09 0.00 0.00 57.88 57.10 2qfa h LEU 65 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2qfa h LEU 65 CO 0.02 1.74 0.29 -0.09 0.09 0.00 0.00 178.44 180.49 2qfa h ARG 66 N 0.03 0.35 -0.01 1.13 2.43 -0.84 -1.75 114.38 115.71 2qfa h ARG 66 Ca -0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2qfa h ARG 66 Cb 2.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 2qfa h ARG 66 CO 0.17 0.23 -0.13 0.39 -1.51 0.00 0.00 179.97 179.12 2qfa n GLU 67 N -4.48 1.34 -1.55 0.20 1.02 -0.35 -4.89 120.64 111.93 2qfa n GLU 67 Ca 0.06 -0.83 -0.33 0.00 -0.02 0.00 0.00 57.16 56.03 2qfa n GLU 67 Cb 0.24 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.25 2qfa n GLU 67 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2qfa s MET 68 N -2.24 2.44 0.35 3.49 -1.94 -0.66 -4.99 119.30 115.75 2qfa s MET 68 Ca 0.31 1.50 -0.29 0.00 -1.71 0.00 0.00 55.69 55.50 2qfa s MET 68 Cb 0.20 -1.90 -0.11 0.00 2.01 0.00 0.00 34.83 35.03 2qfa s MET 68 CO 0.42 -1.55 1.50 1.21 -0.01 0.00 0.00 175.02 176.59 2qfa s ASN 69 N -2.48 6.39 0.24 3.03 3.84 -1.26 -4.89 114.94 119.81 2qfa s ASN 69 Ca 0.69 2.99 -0.05 0.00 0.21 0.00 0.00 52.86 56.70 2qfa s ASN 69 Cb -0.23 -2.66 0.26 0.00 -0.55 0.00 0.00 41.25 38.07 2qfa s ASN 69 CO 0.45 -0.86 1.79 4.11 -2.79 0.00 0.00 177.10 179.80 2qfa h TRP 70 N 3.61 1.07 -0.47 0.43 5.08 -1.94 -0.99 115.95 122.74 2qfa h TRP 70 Ca -0.49 -0.09 -0.08 0.00 1.08 0.00 0.00 58.89 59.30 2qfa h TRP 70 Cb 1.23 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.06 2qfa h TRP 70 CO 0.55 0.84 -0.01 -0.07 -1.28 0.00 0.00 178.44 178.47 2qfa h LEU 71 N 1.01 0.82 -0.46 0.11 3.38 -1.99 -1.90 115.31 116.28 2qfa h LEU 71 Ca 0.23 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2qfa h LEU 71 Cb 0.26 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2qfa h LEU 71 CO -0.01 0.93 0.20 0.44 0.09 0.00 0.00 178.44 180.09 2qfa h ASP 72 N 0.68 0.25 0.10 -0.43 3.32 -1.84 -1.28 116.42 117.22 2qfa h ASP 72 Ca 0.13 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2qfa h ASP 72 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2qfa h ASP 72 CO 0.03 0.18 -0.11 0.22 -1.72 0.00 0.00 179.24 177.84 2qfa h TYR 73 N 0.39 -0.27 0.00 4.55 3.20 -0.98 -2.82 116.97 121.03 2qfa h TYR 73 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qfa h TYR 73 Cb 0.17 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2qfa h TYR 73 CO -0.13 -0.17 0.00 0.74 -1.64 0.00 0.00 178.16 176.97 2qfa h PHE 74 N -0.23 0.00 0.00 -3.82 0.04 -1.16 -1.60 116.94 110.16 2qfa h PHE 74 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2qfa h PHE 74 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2qfa h PHE 74 CO -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.59 2qfa h ALA 75 N 2.05 1.00 0.00 2.45 0.00 -0.98 -3.51 119.26 120.27 2qfa h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qfa h ALA 75 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qfa h ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53