#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5r h ASP 12 N 0.00 0.00 -0.55 1.09 3.32 -2.05 0.25 116.42 118.47 3d5r h ASP 12 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3d5r h ASP 12 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3d5r h ASP 12 CO 0.00 0.02 0.24 0.00 -1.72 0.00 0.00 179.24 177.78 3d5r h ALA 13 N 1.98 1.31 -0.81 3.45 0.00 -2.05 0.29 119.26 123.44 3d5r h ALA 13 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3d5r h ALA 13 Cb 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3d5r h ALA 13 CO 0.00 0.51 0.39 1.15 0.00 0.00 0.00 179.25 181.31 3d5r h THR 14 N 0.85 1.25 -0.11 0.00 2.02 -0.94 0.35 112.91 116.34 3d5r h THR 14 Ca 0.20 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3d5r h THR 14 Cb 0.16 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3d5r h THR 14 CO -0.02 0.30 -0.05 0.40 0.37 0.00 0.00 175.52 176.53 3d5r h ILE 15 N 1.15 1.31 0.03 3.11 2.04 -1.18 -1.99 117.51 121.99 3d5r h ILE 15 Ca 0.28 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3d5r h ILE 15 Cb 0.12 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3d5r h ILE 15 CO -0.03 0.30 -0.27 0.11 0.00 0.00 0.00 178.15 178.26 3d5r h LYS 16 N -0.13 -0.41 -0.72 2.37 1.57 -0.20 0.18 116.57 119.23 3d5r h LYS 16 Ca 0.02 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3d5r h LYS 16 Cb 0.49 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 3d5r h LYS 16 CO 0.01 -0.28 0.47 0.87 -0.57 0.00 0.00 179.45 179.96 3d5r h LYS 17 N -0.43 0.70 -0.27 3.15 1.57 -0.95 -0.09 116.57 120.25 3d5r h LYS 17 Ca 0.05 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 3d5r h LYS 17 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3d5r h LYS 17 CO -0.21 0.46 -0.59 0.93 -0.57 0.00 0.00 179.45 179.47 3d5r h GLU 18 N 0.72 0.87 -0.79 3.15 5.08 -0.52 -2.32 114.58 120.77 3d5r h GLU 18 Ca 0.32 -0.58 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3d5r h GLU 18 Cb 0.31 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3d5r h GLU 18 CO -0.11 1.21 0.35 1.96 -1.00 0.00 0.00 179.01 181.42 3d5r h GLN 19 N 0.66 1.15 -0.18 2.33 1.08 0.48 -0.36 115.11 120.26 3d5r h GLN 19 Ca 0.00 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3d5r h GLN 19 Cb 1.20 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3d5r h GLN 19 CO 0.13 0.91 0.11 0.87 -0.95 0.00 0.00 178.83 179.90 3d5r h LYS 20 N 1.14 0.25 -0.84 1.46 1.79 -0.98 0.36 116.57 119.74 3d5r h LYS 20 Ca 0.27 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.78 3d5r h LYS 20 Cb 0.16 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 3d5r h LYS 20 CO -0.03 0.20 0.51 1.25 -1.08 0.00 0.00 179.45 180.31 3d5r h LEU 21 N 0.22 0.79 -0.16 2.94 7.12 -0.93 0.12 115.31 125.41 3d5r h LEU 21 Ca 0.07 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.06 3d5r h LEU 21 Cb 0.02 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.01 3d5r h LEU 21 CO -0.01 0.50 -0.04 0.40 -0.13 0.00 0.00 178.44 179.15 3d5r h ILE 22 N 0.92 1.29 -0.42 4.05 2.04 -0.53 -1.20 117.51 123.66 3d5r h ILE 22 Ca 0.37 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3d5r h ILE 22 Cb 0.20 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3d5r h ILE 22 CO -0.19 0.30 0.15 1.56 0.00 0.00 0.00 178.15 179.97 3d5r h GLN 23 N 0.00 0.30 -0.13 2.37 1.08 0.27 -1.00 115.11 118.01 3d5r h GLN 23 Ca 0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3d5r h GLN 23 Cb 0.48 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3d5r h GLN 23 CO 0.02 0.20 0.08 0.00 -0.95 0.00 0.00 178.83 178.17 3d5r h ALA 24 N 1.27 0.16 -0.30 3.87 0.00 -0.69 -0.38 119.26 123.21 3d5r h ALA 24 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3d5r h ALA 24 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3d5r h ALA 24 CO -0.20 -0.32 0.10 1.96 0.00 0.00 0.00 179.25 180.79 3d5r h GLN 25 N 0.14 0.23 -0.16 0.00 4.20 -0.90 0.24 115.11 118.85 3d5r h GLN 25 Ca 0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3d5r h GLN 25 Cb 0.04 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3d5r h GLN 25 CO -0.01 0.15 0.09 -0.91 -0.67 0.00 0.00 178.83 177.49 3d5r h ASN 26 N 0.23 0.20 0.08 1.46 -0.26 -1.04 -0.37 115.58 115.88 3d5r h ASN 26 Ca 0.13 -0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 3d5r h ASN 26 Cb 0.10 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 3d5r h ASN 26 CO -0.14 0.21 -0.24 -0.07 -1.06 0.00 0.00 177.43 176.13 3d5r h LEU 27 N 0.18 0.28 -0.28 1.61 3.38 -0.80 0.14 115.31 119.82 3d5r h LEU 27 Ca 0.06 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3d5r h LEU 27 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3d5r h LEU 27 CO -0.01 0.52 -0.20 0.58 0.09 0.00 0.00 178.44 179.43 3d5r h VAL 28 N 0.26 1.30 -0.68 1.22 2.07 -0.25 -0.76 116.25 119.42 3d5r h VAL 28 Ca 0.04 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 3d5r h VAL 28 Cb 0.57 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3d5r h VAL 28 CO 0.04 0.42 0.29 -0.09 0.02 0.00 0.00 177.57 178.25 3d5r h ARG 29 N 0.36 1.00 -0.83 1.57 2.43 -0.72 -1.29 114.38 116.90 3d5r h ARG 29 Ca 0.05 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3d5r h ARG 29 Cb 0.74 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 3d5r h ARG 29 CO 0.05 0.82 0.53 1.49 -1.51 0.00 0.00 179.97 181.35 3d5r h GLU 30 N 0.95 0.99 -0.14 0.20 4.22 -0.52 -2.12 114.58 118.17 3d5r h GLU 30 Ca 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.61 3d5r h GLU 30 Cb 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3d5r h GLU 30 CO -0.02 0.66 0.08 0.35 -2.18 0.00 0.00 179.01 177.90 3d5r h PHE 31 N 1.02 0.19 -0.12 0.92 3.57 -0.46 -0.54 116.94 121.52 3d5r h PHE 31 Ca 0.34 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.87 3d5r h PHE 31 Cb 0.03 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3d5r h PHE 31 CO -0.03 0.17 0.15 0.93 -2.23 0.00 0.00 178.31 177.30 3d5r h GLU 32 N 0.16 0.00 0.01 1.11 5.08 -0.71 0.58 114.58 120.81 3d5r h GLU 32 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3d5r h GLU 32 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3d5r h GLU 32 CO -0.01 0.00 -0.52 0.87 -1.00 0.00 0.00 179.01 178.35 3d5r h LYS 33 N 0.00 0.02 0.00 2.33 1.57 -0.65 -3.41 116.57 116.43 3d5r h LYS 33 Ca 0.06 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 3d5r h LYS 33 Cb 0.35 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3d5r h LYS 33 CO -0.00 1.01 -1.78 0.25 -0.57 0.00 0.00 179.45 178.36 3d5r n THR 34 N -4.51 1.59 -3.49 -0.16 -2.24 -0.31 -5.01 114.28 100.15 3d5r n THR 34 Ca -0.18 -0.80 -0.25 0.00 -2.27 0.00 0.00 64.05 60.55 3d5r n THR 34 Cb 0.58 -0.99 0.05 0.00 -2.10 0.00 0.00 70.33 67.86 3d5r n THR 34 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3d5r n HIS 35 N -3.02 -2.41 -3.92 4.78 8.25 0.17 -4.78 115.22 114.29 3d5r n HIS 35 Ca -0.19 0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 57.87 3d5r n HIS 35 Cb 1.06 -4.47 -0.03 0.00 1.12 0.00 0.00 29.99 27.67 3d5r n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3d5r s THR 36 N -3.24 4.14 0.17 1.59 -4.23 -1.26 -1.21 115.64 111.59 3d5r s THR 36 Ca 0.51 -1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 3d5r s THR 36 Cb -0.24 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.30 3d5r s THR 36 CO 0.64 -0.26 1.70 0.58 -0.54 0.00 0.00 174.62 176.74 3d5r h VAL 37 N 1.31 1.24 -0.35 2.29 2.07 -1.66 -0.90 116.25 120.24 3d5r h VAL 37 Ca -0.47 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.30 3d5r h VAL 37 Cb 1.25 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3d5r h VAL 37 CO 0.59 0.29 0.15 -1.28 0.02 0.00 0.00 177.57 177.34 3d5r h SER 38 N 0.80 0.19 0.29 0.57 0.87 -1.95 -1.22 113.55 113.09 3d5r h SER 38 Ca 0.19 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3d5r h SER 38 Cb 0.26 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3d5r h SER 38 CO -0.01 0.15 -0.42 0.00 -0.53 0.00 0.00 176.83 176.02 3d5r h ALA 39 N 1.20 1.15 0.29 6.23 0.00 -1.92 -2.71 119.26 123.50 3d5r h ALA 39 Ca 0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3d5r h ALA 39 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3d5r h ALA 39 CO -0.13 0.58 -0.14 1.25 0.00 0.00 0.00 179.25 180.81 3d5r h HIS 40 N 0.15 -0.36 -0.54 0.00 2.76 -0.59 -1.53 115.15 115.03 3d5r h HIS 40 Ca 0.01 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3d5r h HIS 40 Cb 0.81 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 3d5r h HIS 40 CO 0.01 -0.13 0.19 0.00 -1.30 0.00 0.00 177.93 176.71 3d5r h ARG 41 N -0.54 0.36 -0.40 5.26 3.08 -1.14 0.19 114.38 121.20 3d5r h ARG 41 Ca -0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3d5r h ARG 41 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3d5r h ARG 41 CO 0.07 0.24 0.05 0.87 -1.07 0.00 0.00 179.97 180.12 3d5r h LYS 42 N 0.37 0.67 0.15 0.04 1.57 -1.45 -1.47 116.57 116.44 3d5r h LYS 42 Ca 0.27 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3d5r h LYS 42 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3d5r h LYS 42 CO -0.27 0.74 -0.07 0.00 -0.57 0.00 0.00 179.45 179.27 3d5r h ALA 43 N 0.91 -0.20 -0.55 3.86 0.00 -0.78 0.73 119.26 123.23 3d5r h ALA 43 Ca 0.12 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3d5r h ALA 43 Cb 0.40 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3d5r h ALA 43 CO 0.01 -0.58 0.31 0.37 0.00 0.00 0.00 179.25 179.36 3d5r h GLN 44 N -0.26 0.58 -0.33 0.00 5.75 -0.58 -0.35 115.11 119.93 3d5r h GLN 44 Ca -0.02 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 3d5r h GLN 44 Cb 0.20 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 3d5r h GLN 44 CO 0.03 0.39 -0.39 -0.22 -2.65 0.00 0.00 178.83 175.99 3d5r h LYS 45 N 0.60 0.84 0.02 1.69 3.64 -1.16 -2.18 116.57 120.01 3d5r h LYS 45 Ca 0.23 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3d5r h LYS 45 Cb 0.09 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3d5r h LYS 45 CO -0.13 1.11 -0.19 0.00 -2.27 0.00 0.00 179.45 177.97 3d5r h ALA 46 N 0.72 -0.25 -0.99 5.00 0.00 -0.48 -1.75 119.26 121.50 3d5r h ALA 46 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3d5r h ALA 46 Cb 0.98 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3d5r h ALA 46 CO 0.09 -0.69 0.63 0.28 0.00 0.00 0.00 179.25 179.57 3d5r h VAL 47 N -0.32 0.97 -0.01 0.00 2.07 -1.03 -0.21 116.25 117.73 3d5r h VAL 47 Ca 0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3d5r h VAL 47 Cb 0.38 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3d5r h VAL 47 CO -0.17 0.19 0.01 0.00 0.02 0.00 0.00 177.57 177.62 3d5r h ALA 48 N 1.52 1.53 0.00 1.67 0.00 -0.66 -1.28 119.26 122.04 3d5r h ALA 48 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3d5r h ALA 48 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3d5r h ALA 48 CO -0.23 -0.02 -0.38 1.28 0.00 0.00 0.00 179.25 179.90 3d5r n LEU 49 N -3.82 0.53 -4.71 0.00 4.77 -0.10 -4.87 117.00 108.80 3d5r n LEU 49 Ca -0.03 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 3d5r n LEU 49 Cb 0.10 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3d5r n LEU 49 CO 0.27 -0.01 1.18 -0.69 -1.33 0.00 0.00 177.39 176.81 3d5r s VAL 50 N -3.08 3.11 0.60 4.08 1.01 -0.48 -4.94 120.40 120.70 3d5r s VAL 50 Ca 0.10 0.71 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 3d5r s VAL 50 Cb 0.16 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3d5r s VAL 50 CO 0.66 0.03 1.30 -0.24 0.00 0.00 0.00 175.10 176.86 3d5r n SER 51 N 4.58 2.27 0.26 3.32 2.88 -1.26 -4.86 113.62 120.81 3d5r n SER 51 Ca 0.13 0.89 0.18 0.00 -1.33 0.00 0.00 58.87 58.75 3d5r n SER 51 Cb 0.41 -1.56 0.91 0.00 -0.75 0.00 0.00 64.21 63.22 3d5r n SER 51 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3d5r h PHE 52 N 0.92 0.00 -0.98 0.66 -1.00 -1.97 0.11 116.94 114.67 3d5r h PHE 52 Ca -0.51 0.00 0.24 0.00 2.81 0.00 0.00 57.97 60.51 3d5r h PHE 52 Cb 1.33 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.81 3d5r h PHE 52 CO 0.43 0.00 0.64 0.93 -1.61 0.00 0.00 178.31 178.70 3d5r h GLU 53 N 0.00 0.39 -0.84 1.51 5.08 -2.02 0.67 114.58 119.36 3d5r h GLU 53 Ca 0.05 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.02 3d5r h GLU 53 Cb 0.45 -0.09 -0.22 0.00 0.50 0.00 0.00 28.75 29.39 3d5r h GLU 53 CO -0.00 0.26 0.44 0.66 -1.00 0.00 0.00 179.01 179.37 3d5r n TYR 54 N -4.56 2.68 -0.28 4.33 4.01 0.03 -4.73 117.16 118.64 3d5r n TYR 54 Ca 0.23 -1.55 0.26 0.00 -0.16 0.00 0.00 57.90 56.68 3d5r n TYR 54 Cb 0.80 -0.81 0.48 0.00 -0.31 0.00 0.00 39.34 39.51 3d5r n TYR 54 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3d5r n LYS 55 N -0.71 -0.06 0.13 -0.72 2.85 0.23 -0.69 118.16 119.21 3d5r n LYS 55 Ca 0.50 1.23 -0.13 0.00 -1.05 0.00 0.00 58.31 58.86 3d5r n LYS 55 Cb 1.51 -2.17 -0.08 0.00 -0.65 0.00 0.00 35.03 33.64 3d5r n LYS 55 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3d5r h VAL 56 N 0.00 0.76 0.00 0.58 2.07 -1.84 -1.65 116.25 116.17 3d5r h VAL 56 Ca 0.72 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3d5r h VAL 56 Cb 1.85 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3d5r h VAL 56 CO -0.70 0.13 -0.19 0.50 0.02 0.00 0.00 177.57 177.33 3d5r h LYS 57 N -0.72 0.00 -0.30 1.57 1.63 -1.57 -1.28 116.57 115.90 3d5r h LYS 57 Ca -0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 3d5r h LYS 57 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3d5r h LYS 57 CO 0.06 0.19 0.03 -0.22 -3.45 0.00 0.00 179.45 176.06 3d5r h LYS 58 N 0.00 0.51 -0.80 1.90 3.64 -0.87 0.58 116.57 121.53 3d5r h LYS 58 Ca -0.00 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3d5r h LYS 58 Cb 0.68 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3d5r h LYS 58 CO 0.02 0.63 0.38 0.52 -2.27 0.00 0.00 179.45 178.73 3d5r h MET 59 N 0.32 1.14 -0.47 1.90 2.86 -0.78 0.77 114.93 120.67 3d5r h MET 59 Ca 0.09 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3d5r h MET 59 Cb 0.37 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3d5r h MET 59 CO 0.01 0.88 0.06 0.28 1.06 0.00 0.00 176.91 179.20 3d5r h VAL 60 N 1.13 1.25 -0.41 -2.22 2.07 -0.67 -1.29 116.25 116.11 3d5r h VAL 60 Ca 0.27 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3d5r h VAL 60 Cb 0.11 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3d5r h VAL 60 CO -0.03 0.33 -0.09 -0.07 0.02 0.00 0.00 177.57 177.73 3d5r h LEU 61 N 0.66 0.70 -0.35 2.57 3.38 0.68 -2.07 115.31 120.88 3d5r h LEU 61 Ca 0.14 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3d5r h LEU 61 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3d5r h LEU 61 CO 0.01 0.83 -0.10 -0.61 0.09 0.00 0.00 178.44 178.66 3d5r h GLN 62 N 0.66 0.68 -0.35 1.13 5.75 -0.68 -2.27 115.11 120.04 3d5r h GLN 62 Ca 0.12 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3d5r h GLN 62 Cb 0.54 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3d5r h GLN 62 CO 0.03 0.86 0.20 1.49 -2.65 0.00 0.00 178.83 178.75 3d5r h GLU 63 N 0.47 0.47 -0.17 1.69 4.57 -1.02 0.18 114.58 120.76 3d5r h GLU 63 Ca 0.09 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 3d5r h GLU 63 Cb 0.61 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3d5r h GLU 63 CO 0.04 0.34 -0.42 0.00 -1.18 0.00 0.00 179.01 177.79 3d5r h ARG 64 N 0.47 0.39 -0.00 1.92 3.08 -1.09 -0.57 114.38 118.59 3d5r h ARG 64 Ca 0.12 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3d5r h ARG 64 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3d5r h ARG 64 CO -0.02 0.74 -0.00 0.82 -1.07 0.00 0.00 179.97 180.44 3d5r h ILE 65 N 0.32 1.33 -0.73 2.04 2.04 -0.47 -2.27 117.51 119.78 3d5r h ILE 65 Ca 0.03 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 65.03 3d5r h ILE 65 Cb 0.87 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3d5r h ILE 65 CO 0.07 0.25 0.48 0.44 0.00 0.00 0.00 178.15 179.39 3d5r h ASP 66 N -0.41 0.53 0.19 1.72 3.32 -0.56 -1.78 116.42 119.44 3d5r h ASP 66 Ca 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 3d5r h ASP 66 Cb 0.41 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3d5r h ASP 66 CO 0.00 0.31 -0.75 0.78 -1.72 0.00 0.00 179.24 177.85 3d5r h ASN 67 N 0.58 0.57 -0.53 6.45 2.35 -0.98 -2.29 115.58 121.72 3d5r h ASN 67 Ca 0.34 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3d5r h ASN 67 Cb 0.54 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3d5r h ASN 67 CO -0.12 1.13 0.12 0.58 -1.65 0.00 0.00 177.43 177.50 3d5r h VAL 68 N 0.32 1.24 -0.61 2.81 2.07 -0.74 -2.40 116.25 118.95 3d5r h VAL 68 Ca -0.04 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 3d5r h VAL 68 Cb 1.34 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3d5r h VAL 68 CO 0.13 0.32 0.21 -0.07 0.02 0.00 0.00 177.57 178.18 3d5r h LEU 69 N 0.75 0.84 -2.25 2.57 3.38 -1.36 -1.74 115.31 117.50 3d5r h LEU 69 Ca 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3d5r h LEU 69 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3d5r h LEU 69 CO 0.00 0.78 -0.05 0.11 0.09 0.00 0.00 178.44 179.37 3d5r h LYS 70 N 0.88 0.00 0.00 1.13 1.57 -0.92 -1.21 116.57 118.03 3d5r h LYS 70 Ca 0.20 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3d5r h LYS 70 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3d5r h LYS 70 CO -0.01 0.05 -0.66 1.96 -0.57 0.00 0.00 179.45 180.22 3d5r h GLN 71 N 0.00 0.00 0.00 3.15 4.20 -0.98 -3.50 115.11 117.98 3d5r h GLN 71 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d5r h GLN 71 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3d5r h GLN 71 CO 0.01 0.25 0.00 0.41 -0.67 0.00 0.00 178.83 178.82 3d5r n GLY 72 N 1.22 2.56 3.88 3.46 0.00 -0.46 -5.09 105.19 110.75 3d5r n GLY 72 Ca -0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 3d5r n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5r s LEU 73 N 0.00 3.64 -0.36 0.99 1.43 -1.26 -4.82 118.68 118.29 3d5r s LEU 73 Ca 0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3d5r s LEU 73 Cb 0.00 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 44.08 3d5r s LEU 73 CO 0.00 -0.40 0.26 0.68 0.23 0.00 0.00 176.35 177.12 3d5r s VAL 74 N -2.30 0.06 0.00 -1.59 -7.23 -0.35 -5.03 120.40 103.96 3d5r s VAL 74 Ca 0.42 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3d5r s VAL 74 Cb -0.06 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.84 3d5r s VAL 74 CO 0.27 -0.94 0.00 -2.11 -0.31 0.00 0.00 175.10 172.01