#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pxf s ASP 2 N 0.00 5.13 0.66 -2.13 3.84 -1.26 -4.94 116.67 117.97 2pxf s ASP 2 Ca 0.00 0.14 0.37 0.00 -0.00 0.00 0.00 52.55 53.06 2pxf s ASP 2 Cb 0.00 -0.95 2.05 0.00 -1.38 0.00 0.00 42.92 42.64 2pxf s ASP 2 CO 0.00 -1.29 2.17 -0.07 -0.00 0.00 0.00 175.17 175.98 2pxf h LEU 3 N -0.14 0.00 0.26 2.11 3.38 -0.97 -1.88 115.31 118.06 2pxf h LEU 3 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2pxf h LEU 3 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2pxf h LEU 3 CO 0.55 0.00 -0.12 0.78 0.09 0.00 0.00 178.44 179.73 2pxf h ASN 4 N 0.00 -0.29 -0.38 -0.43 2.35 -1.93 -1.49 115.58 113.40 2pxf h ASN 4 Ca 0.01 -0.22 0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2pxf h ASN 4 Cb 0.31 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 2pxf h ASN 4 CO -0.00 0.11 0.03 0.44 -1.65 0.00 0.00 177.43 176.36 2pxf h ASP 5 N -0.74 -0.09 -0.32 5.81 3.32 -1.72 0.33 116.42 123.00 2pxf h ASP 5 Ca -0.04 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.19 2pxf h ASP 5 Cb 0.50 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2pxf h ASP 5 CO 0.06 -0.01 0.32 0.15 -1.72 0.00 0.00 179.24 178.03 2pxf h PHE 6 N 0.14 0.00 0.00 4.55 3.57 -1.40 0.18 116.94 123.97 2pxf h PHE 6 Ca 0.19 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 2pxf h PHE 6 Cb 0.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2pxf h PHE 6 CO -0.24 0.00 -0.82 1.25 -2.23 0.00 0.00 178.31 176.27 2pxf h LEU 7 N 0.00 0.00 -0.54 0.59 5.85 0.72 -3.20 115.31 118.73 2pxf h LEU 7 Ca 0.15 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2pxf h LEU 7 Cb 0.78 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 2pxf h LEU 7 CO -0.00 0.82 0.05 -0.33 -0.34 0.00 0.00 178.44 178.64 2pxf h GLU 8 N 0.00 0.17 -6.76 1.25 4.39 0.25 -3.50 114.58 110.37 2pxf h GLU 8 Ca -0.01 -0.01 -0.49 0.00 0.34 0.00 0.00 59.36 59.19 2pxf h GLU 8 Cb 1.59 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 2pxf h GLU 8 CO 0.11 0.11 0.30 -0.65 -1.16 0.00 0.00 179.01 177.72 2pxf s GLN 9 N -6.14 4.64 0.00 2.33 -0.21 -1.21 -5.14 119.66 113.93 2pxf s GLN 9 Ca -0.13 1.31 0.15 0.00 0.02 0.00 0.00 55.36 56.71 2pxf s GLN 9 Cb 0.17 -3.02 0.87 0.00 1.00 0.00 0.00 33.01 32.03 2pxf s GLN 9 CO 0.73 0.41 1.32 1.63 -2.12 0.00 0.00 175.29 177.26 2pxf n LYS 23 N 1.01 0.43 0.05 2.91 4.01 -1.26 -4.99 118.16 120.32 2pxf n LYS 23 Ca -0.01 0.02 -0.09 0.00 -0.51 0.00 0.00 58.31 57.72 2pxf n LYS 23 Cb 0.49 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.38 2pxf n LYS 23 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 2pxf h VAL 24 N 0.00 1.50 -0.80 -0.18 3.04 -2.10 -3.21 116.25 114.50 2pxf h VAL 24 Ca 0.00 -3.21 0.22 0.00 -1.01 0.00 0.00 66.70 62.70 2pxf h VAL 24 Cb 0.02 2.78 -0.04 0.00 -2.01 0.00 0.00 31.29 32.04 2pxf h VAL 24 CO 0.00 0.87 0.56 0.25 -1.01 0.00 0.00 177.57 178.25 2pxf h LEU 25 N 0.02 0.08 -0.90 3.16 5.85 -2.06 0.32 115.31 121.78 2pxf h LEU 25 Ca -0.09 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2pxf h LEU 25 Cb 1.86 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 2pxf h LEU 25 CO 0.13 0.04 0.56 -0.37 -0.34 0.00 0.00 178.44 178.46 2pxf h VAL 26 N 0.09 1.02 0.00 1.05 -1.51 -2.03 -2.09 116.25 112.78 2pxf h VAL 26 Ca 0.39 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 2pxf h VAL 26 Cb 1.41 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2pxf h VAL 26 CO -0.04 0.18 0.00 -2.11 -1.23 0.00 0.00 177.57 174.37 2pxf n ARG 27 N -4.61 0.54 0.00 5.19 1.85 0.11 -1.13 116.66 118.61 2pxf n ARG 27 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 2pxf n ARG 27 Cb 0.21 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 2pxf n ARG 27 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2pxf n GLU 29 N 1.50 0.00 -0.40 2.89 1.02 -0.79 -1.71 120.64 123.16 2pxf n GLU 29 Ca 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 57.16 57.49 2pxf n GLU 29 Cb 0.27 0.00 0.62 0.00 -0.02 0.00 0.00 31.44 32.31 2pxf n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pxf h ALA 30 N 0.00 2.49 0.07 0.62 0.00 -1.39 0.76 119.26 121.80 2pxf h ALA 30 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 2pxf h ALA 30 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2pxf h ALA 30 CO 0.00 -1.20 -1.10 0.82 0.00 0.00 0.00 179.25 177.77 2pxf h ILE 31 N 0.04 1.54 0.00 0.00 2.04 -1.61 -3.30 117.51 116.23 2pxf h ILE 31 Ca 0.85 -3.03 -0.21 0.00 1.00 0.00 0.00 64.86 63.47 2pxf h ILE 31 Cb 2.47 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 41.32 2pxf h ILE 31 CO -0.59 0.88 -0.98 0.40 0.00 0.00 0.00 178.15 177.86 2pxf h ILE 32 N 0.07 1.70 0.00 -0.67 2.04 0.07 -2.94 117.51 117.78 2pxf h ILE 32 Ca -0.08 -3.33 0.00 0.00 1.00 0.00 0.00 64.86 62.44 2pxf h ILE 32 Cb 1.81 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.70 2pxf h ILE 32 CO 0.17 0.95 0.00 0.59 0.00 0.00 0.00 178.15 179.86 2pxf n ASN 33 N -3.38 0.00 -2.49 1.72 3.02 0.66 -4.79 115.26 109.99 2pxf n ASN 33 Ca -0.00 -0.42 -0.34 0.00 -0.03 0.00 0.00 54.58 53.78 2pxf n ASN 33 Cb 0.92 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 40.12 2pxf n ASN 33 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pxf n SER 34 N -1.03 7.04 0.00 6.41 7.64 -1.11 -5.08 113.62 127.49 2pxf n SER 34 Ca 0.11 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.20 2pxf n SER 34 Cb 0.06 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2pxf n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2pxf n THR 36 N -0.73 0.00 0.00 0.44 -2.24 -1.26 -4.76 114.28 105.72 2pxf n THR 36 Ca 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 2pxf n THR 36 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2pxf n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pxf n LYS 38 N 0.00 0.00 0.48 -0.78 5.02 -1.26 -1.52 118.16 120.10 2pxf n LYS 38 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2pxf n LYS 38 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 2pxf n LYS 38 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2pxf h GLU 39 N 0.00 -1.18 -0.74 1.97 5.08 -1.97 0.21 114.58 117.96 2pxf h GLU 39 Ca 0.00 0.08 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 2pxf h GLU 39 Cb 0.00 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2pxf h GLU 39 CO 0.00 -0.79 0.66 0.00 -1.00 0.00 0.00 179.01 177.89 2pxf h ARG 40 N -1.32 0.00 0.15 2.33 3.08 -1.65 -1.79 114.38 115.18 2pxf h ARG 40 Ca -0.13 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.58 2pxf h ARG 40 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2pxf h ARG 40 CO 0.21 0.00 -1.76 0.00 -1.07 0.00 0.00 179.97 177.34 2pxf h ALA 41 N 1.37 0.28 -2.21 0.04 0.00 -1.66 0.16 119.26 117.24 2pxf h ALA 41 Ca 0.35 -1.21 -0.58 0.00 0.00 0.00 0.00 54.91 53.46 2pxf h ALA 41 Cb 1.67 0.48 -0.40 0.00 0.00 0.00 0.00 17.79 19.54 2pxf h ALA 41 CO -0.00 1.15 -0.86 1.17 0.00 0.00 0.00 179.25 180.70 2pxf n LYS 42 N -3.51 1.39 -0.32 0.00 4.81 0.69 -4.76 118.16 116.46 2pxf n LYS 42 Ca -0.24 -3.84 0.20 0.00 -0.87 0.00 0.00 58.31 53.56 2pxf n LYS 42 Cb 1.06 -1.73 0.38 0.00 0.02 0.00 0.00 35.03 34.77 2pxf n LYS 42 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2pxf n PRO 43 N 1.43 -0.07 -0.35 1.64 -0.02 -0.96 -2.02 135.00 134.65 2pxf n PRO 43 Ca 0.25 1.38 0.08 0.00 -2.02 0.00 0.00 63.50 63.20 2pxf n PRO 43 Cb 0.47 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 31.91 2pxf n PRO 43 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2pxf h GLU 44 N 0.00 0.91 -0.11 -0.52 9.09 -1.95 0.10 114.58 122.11 2pxf h GLU 44 Ca 0.66 -0.05 0.03 0.00 0.05 0.00 0.00 59.36 60.05 2pxf h GLU 44 Cb 1.54 -0.21 -0.00 0.00 -1.65 0.00 0.00 28.75 28.43 2pxf h GLU 44 CO -0.84 0.60 0.50 -0.84 0.05 0.00 0.00 179.01 178.48 2pxf h ILE 45 N 0.94 0.06 -2.69 -1.06 3.07 -1.79 -3.39 117.51 112.65 2pxf h ILE 45 Ca 0.50 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 66.35 2pxf h ILE 45 Cb 0.55 0.53 -0.02 0.00 -0.27 0.00 0.00 36.82 37.61 2pxf h ILE 45 CO -0.27 0.00 1.06 -0.63 -1.05 0.00 0.00 178.15 177.27 2pxf s ILE 46 N -4.18 3.74 0.00 0.16 1.01 0.35 -4.98 121.20 117.29 2pxf s ILE 46 Ca -0.03 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2pxf s ILE 46 Cb 0.09 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2pxf s ILE 46 CO 0.28 -0.12 0.00 0.29 0.00 0.00 0.00 174.94 175.39 2pxf n LYS 47 N 7.14 1.71 -0.14 2.79 4.76 -1.26 -4.94 118.16 128.21 2pxf n LYS 47 Ca 0.17 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.55 2pxf n LYS 47 Cb 0.44 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.57 2pxf n LYS 47 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2pxf h GLY 48 N 0.00 -1.61 -0.08 0.72 0.00 -1.99 -0.12 103.07 99.99 2pxf h GLY 48 Ca 0.00 0.87 0.10 0.00 0.00 0.00 0.00 47.33 48.30 2pxf h GLY 48 CO 0.00 -0.45 -0.20 0.23 0.00 0.00 0.00 176.54 176.12 2pxf h SER 49 N -0.11 -0.68 0.28 0.19 0.87 -1.99 0.23 113.55 112.34 2pxf h SER 49 Ca 0.06 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2pxf h SER 49 Cb 0.26 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2pxf h SER 49 CO -0.39 -0.23 -0.13 0.03 -0.53 0.00 0.00 176.83 175.58 2pxf h ARG 50 N -0.09 -0.36 -0.76 2.24 3.08 -1.87 -2.35 114.38 114.27 2pxf h ARG 50 Ca 0.22 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.41 2pxf h ARG 50 Cb 0.44 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 2pxf h ARG 50 CO -0.53 -0.17 -0.41 0.87 -1.07 0.00 0.00 179.97 178.66 2pxf h LYS 51 N -0.49 -0.11 -1.00 0.04 1.57 -0.20 1.20 116.57 117.57 2pxf h LYS 51 Ca -0.04 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.00 2pxf h LYS 51 Cb 0.37 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.58 2pxf h LYS 51 CO 0.06 -0.07 0.58 0.00 -0.57 0.00 0.00 179.45 179.45 2pxf h ARG 52 N -0.12 0.54 -0.09 3.15 3.08 -0.30 0.97 114.38 121.62 2pxf h ARG 52 Ca 0.25 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 2pxf h ARG 52 Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2pxf h ARG 52 CO -0.81 0.36 -0.34 -0.09 -1.07 0.00 0.00 179.97 178.02 2pxf h ARG 53 N 0.56 0.39 0.46 0.04 2.43 0.18 -2.93 114.38 115.50 2pxf h ARG 53 Ca 0.65 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2pxf h ARG 53 Cb 1.24 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2pxf h ARG 53 CO -0.49 0.93 -0.22 0.82 -1.51 0.00 0.00 179.97 179.50 2pxf h ILE 54 N -0.07 0.55 0.25 1.20 2.04 0.11 0.44 117.51 122.02 2pxf h ILE 54 Ca -0.02 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2pxf h ILE 54 Cb 0.98 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2pxf h ILE 54 CO 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.03 2pxf h ALA 55 N -0.08 -0.97 -0.72 1.87 0.00 -1.01 -0.52 119.26 117.83 2pxf h ALA 55 Ca -0.06 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 54.97 2pxf h ALA 55 Cb 0.48 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2pxf h ALA 55 CO 0.10 -0.97 0.74 0.00 0.00 0.00 0.00 179.25 179.13 2pxf h ALA 56 N -1.52 2.53 -0.02 0.00 0.00 -1.56 0.59 119.26 119.27 2pxf h ALA 56 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2pxf h ALA 56 Cb 0.35 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pxf h ALA 56 CO 0.01 -1.11 -0.93 0.78 0.00 0.00 0.00 179.25 178.00 2pxf h GLY 57 N 0.00 0.55 -3.61 0.00 0.00 0.01 -3.23 103.07 96.79 2pxf h GLY 57 Ca 0.34 -0.93 -0.52 0.00 0.00 0.00 0.00 47.33 46.22 2pxf h GLY 57 CO -0.00 0.82 0.42 -1.14 0.00 0.00 0.00 176.54 176.64 2pxf n SER 58 N -3.79 5.21 -3.81 0.19 3.41 0.20 -5.01 113.62 110.01 2pxf n SER 58 Ca -0.07 -3.73 -0.33 0.00 -0.26 0.00 0.00 58.87 54.48 2pxf n SER 58 Cb 0.82 -0.79 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 2pxf n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pxf n GLY 59 N -1.00 -0.80 3.19 5.00 0.00 -0.66 -4.83 105.19 106.09 2pxf n GLY 59 Ca 0.54 0.37 -0.16 0.00 0.00 0.00 0.00 46.02 46.78 2pxf n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pxf s GLN 61 N -6.35 0.89 0.24 1.61 1.11 -1.26 -4.97 119.66 110.94 2pxf s GLN 61 Ca 0.38 -1.16 -0.05 0.00 0.01 0.00 0.00 55.36 54.54 2pxf s GLN 61 Cb -0.15 -0.65 0.46 0.00 -1.01 0.00 0.00 33.01 31.65 2pxf s GLN 61 CO 0.89 0.11 1.69 0.28 0.01 0.00 0.00 175.29 178.27 2pxf h VAL 62 N 3.62 0.54 -0.66 1.09 2.07 -1.95 0.29 116.25 121.25 2pxf h VAL 62 Ca -0.38 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.17 2pxf h VAL 62 Cb 1.19 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 2pxf h VAL 62 CO 0.51 0.05 -0.14 0.06 0.02 0.00 0.00 177.57 178.08 2pxf h GLN 63 N 0.30 0.02 -1.00 1.57 3.07 -1.99 1.02 115.11 118.10 2pxf h GLN 63 Ca 0.41 -0.00 0.11 0.00 0.09 0.00 0.00 58.65 59.26 2pxf h GLN 63 Cb 0.69 -0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.16 2pxf h GLN 63 CO -0.49 0.01 0.63 -0.44 0.09 0.00 0.00 178.83 178.64 2pxf h ASP 64 N 0.02 0.95 0.13 0.06 3.32 -1.37 1.94 116.42 121.46 2pxf h ASP 64 Ca 0.33 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 2pxf h ASP 64 Cb 0.51 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2pxf h ASP 64 CO -0.67 0.53 -0.06 0.58 -1.72 0.00 0.00 179.24 177.90 2pxf h VAL 65 N 1.03 1.01 -0.89 -1.35 2.07 0.12 0.15 116.25 118.39 2pxf h VAL 65 Ca 0.48 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2pxf h VAL 65 Cb 0.41 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 2pxf h VAL 65 CO -0.24 0.15 0.54 0.78 0.02 0.00 0.00 177.57 178.82 2pxf h ASN 66 N -0.48 0.82 0.11 0.57 2.35 0.14 1.21 115.58 120.29 2pxf h ASN 66 Ca -0.02 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2pxf h ASN 66 Cb 0.38 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2pxf h ASN 66 CO 0.03 0.49 -0.40 0.03 -1.65 0.00 0.00 177.43 175.93 2pxf h ARG 67 N 0.94 -0.56 -0.21 0.81 -0.00 0.35 1.45 114.38 117.15 2pxf h ARG 67 Ca 0.41 0.04 0.04 0.00 -0.50 0.00 0.00 59.98 59.97 2pxf h ARG 67 Cb 0.29 0.13 -0.04 0.00 0.00 0.00 0.00 29.97 30.35 2pxf h ARG 67 CO -0.21 -0.38 -0.05 1.25 0.00 0.00 0.00 179.97 180.58 2pxf h LEU 68 N -0.58 -0.20 -1.04 3.04 7.12 0.38 0.29 115.31 124.33 2pxf h LEU 68 Ca -0.01 0.06 0.15 0.00 0.13 0.00 0.00 57.88 58.22 2pxf h LEU 68 Cb 0.58 0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 40.75 2pxf h LEU 68 CO -0.21 -0.07 0.62 -0.07 -0.13 0.00 0.00 178.44 178.58 2pxf h LEU 69 N -0.01 0.85 -0.25 2.25 3.38 0.20 0.33 115.31 122.07 2pxf h LEU 69 Ca 0.10 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2pxf h LEU 69 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2pxf h LEU 69 CO -0.22 0.39 -0.19 0.50 0.09 0.00 0.00 178.44 179.01 2pxf h LYS 70 N 0.87 0.57 0.14 1.13 1.63 0.34 -2.13 116.57 119.13 2pxf h LYS 70 Ca 0.53 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2pxf h LYS 70 Cb 0.69 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2pxf h LYS 70 CO -0.31 0.86 -0.19 1.96 -3.45 0.00 0.00 179.45 178.33 2pxf h GLN 71 N 0.29 -0.33 -1.00 1.90 4.20 0.20 0.08 115.11 120.45 2pxf h GLN 71 Ca 0.05 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.03 2pxf h GLN 71 Cb 0.73 0.08 -0.19 0.00 0.30 0.00 0.00 27.48 28.40 2pxf h GLN 71 CO 0.05 -0.22 -0.05 0.35 -0.67 0.00 0.00 178.83 178.29 2pxf h PHE 72 N -0.34 -0.19 0.44 2.96 3.57 -0.51 0.30 116.94 123.17 2pxf h PHE 72 Ca -0.02 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2pxf h PHE 72 Cb 0.31 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2pxf h PHE 72 CO -0.20 -0.44 -0.50 0.22 -2.23 0.00 0.00 178.31 175.16 2pxf h ASP 73 N 0.00 -1.40 0.00 0.41 3.58 -0.67 0.43 116.42 118.78 2pxf h ASP 73 Ca 0.57 0.12 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2pxf h ASP 73 Cb 1.10 0.47 0.00 0.00 1.72 0.00 0.00 39.33 42.62 2pxf h ASP 73 CO -0.96 -0.64 0.00 0.47 -2.88 0.00 0.00 179.24 175.23 2pxf n ASP 74 N -5.47 0.00 0.00 2.28 8.00 0.11 -1.03 116.55 120.44 2pxf n ASP 74 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2pxf n ASP 74 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2pxf n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pxf n GLN 76 N 0.21 0.00 -0.92 -1.24 -0.00 0.15 -5.09 117.38 110.50 2pxf n GLN 76 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.92 2pxf n GLN 76 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 30.24 30.22 2pxf n GLN 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2pxf n ARG 77 N 0.00 0.00 -2.09 2.61 1.74 -0.20 -4.73 116.66 114.00 2pxf n ARG 77 Ca 0.00 -0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 2pxf n ARG 77 Cb 0.00 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 2pxf n ARG 77 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2pxf n LYS 80 N 4.33 -0.80 0.00 5.56 -0.00 -1.26 -5.23 118.16 120.77 2pxf n LYS 80 Ca 0.08 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 2pxf n LYS 80 Cb 0.29 -4.58 0.00 0.00 -0.00 0.00 0.00 35.03 30.74 2pxf n LYS 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03