#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmf n LEU 4 N 0.00 0.00 0.00 3.14 7.94 -1.26 -3.44 117.00 123.38 1xmf n LEU 4 Ca 0.00 -0.37 -0.01 0.00 -1.11 0.00 0.00 56.01 54.51 1xmf n LEU 4 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1xmf n LEU 4 CO 0.00 0.36 0.02 0.61 -1.11 0.00 0.00 177.39 177.28 1xmf n GLY 5 N 0.00 -2.70 0.08 -3.96 0.00 -0.99 -4.89 105.19 92.73 1xmf n GLY 5 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1xmf n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xmf h ILE 6 N -1.65 1.52 0.00 -0.61 2.04 -2.01 -3.38 117.51 113.42 1xmf h ILE 6 Ca -0.02 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1xmf h ILE 6 Cb 0.05 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1xmf h ILE 6 CO 0.01 0.44 -1.37 1.41 0.00 0.00 0.00 178.15 178.65 1xmf n HIS 7 N -4.67 0.09 -3.58 1.37 8.25 -1.26 -4.86 115.22 110.56 1xmf n HIS 7 Ca -0.09 0.03 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 1xmf n HIS 7 Cb 0.39 -0.32 -0.15 0.00 1.12 0.00 0.00 29.99 31.03 1xmf n HIS 7 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xmf s SER 8 N -3.85 1.75 0.22 0.41 0.15 -1.26 -5.08 113.70 106.05 1xmf s SER 8 Ca 0.01 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.22 1xmf s SER 8 Cb 0.15 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1xmf s SER 8 CO 0.86 -0.32 0.41 0.54 1.20 0.00 0.00 173.24 175.93 1xmf s ASN 9 N 2.22 -0.05 0.25 5.45 2.20 -1.26 -2.35 114.94 121.40 1xmf s ASN 9 Ca 0.04 -0.94 -0.04 0.00 -0.94 0.00 0.00 52.86 50.99 1xmf s ASN 9 Cb -0.15 0.54 0.41 0.00 -2.00 0.00 0.00 41.25 40.04 1xmf s ASN 9 CO -0.09 -1.06 1.83 0.44 -2.94 0.00 0.00 177.10 175.28 1xmf h ASP 10 N 2.34 0.78 -0.18 3.54 3.32 -1.94 -1.46 116.42 122.83 1xmf h ASP 10 Ca -0.28 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1xmf h ASP 10 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1xmf h ASP 10 CO 0.40 0.46 0.03 0.74 -1.72 0.00 0.00 179.24 179.14 1xmf h THR 11 N 0.89 0.91 -0.66 0.35 2.02 -1.97 0.40 112.91 114.85 1xmf h THR 11 Ca 0.41 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.52 1xmf h THR 11 Cb 0.32 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1xmf h THR 11 CO -0.23 0.02 0.26 0.03 0.37 0.00 0.00 175.52 175.97 1xmf h ARG 12 N 0.10 0.99 -0.52 6.66 3.08 -1.84 -1.91 114.38 120.93 1xmf h ARG 12 Ca 0.08 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1xmf h ARG 12 Cb 0.08 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1xmf h ARG 12 CO -0.11 0.82 0.33 -0.44 -1.07 0.00 0.00 179.97 179.50 1xmf h ASP 13 N 0.93 0.55 -0.16 7.04 3.32 -0.93 -0.83 116.42 126.34 1xmf h ASP 13 Ca 0.22 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1xmf h ASP 13 Cb 0.21 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1xmf h ASP 13 CO -0.02 0.40 -0.09 0.00 -1.72 0.00 0.00 179.24 177.81 1xmf h ALA 14 N 1.21 0.05 -0.04 3.45 0.00 -0.52 -1.62 119.26 121.79 1xmf h ALA 14 Ca 0.20 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1xmf h ALA 14 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xmf h ALA 14 CO -0.06 -0.53 -0.30 -1.49 0.00 0.00 0.00 179.25 176.87 1xmf h TRP 15 N -0.08 0.07 -0.00 0.00 4.06 -1.05 -0.91 115.95 118.04 1xmf h TRP 15 Ca 0.09 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1xmf h TRP 15 Cb 0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1xmf h TRP 15 CO -0.23 0.36 0.00 0.28 -3.56 0.00 0.00 178.44 175.29 1xmf h VAL 16 N 0.06 1.10 -0.57 1.49 2.07 -0.45 0.23 116.25 120.17 1xmf h VAL 16 Ca 0.01 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xmf h VAL 16 Cb 0.57 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1xmf h VAL 16 CO 0.04 0.07 0.34 0.78 0.02 0.00 0.00 177.57 178.82 1xmf h ASN 17 N -0.12 0.70 -0.38 0.57 2.35 -1.03 -1.00 115.58 116.67 1xmf h ASN 17 Ca 0.00 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1xmf h ASN 17 Cb 0.12 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1xmf h ASN 17 CO -0.00 0.56 0.10 0.50 -1.65 0.00 0.00 177.43 176.94 1xmf h LYS 18 N 0.77 0.23 -0.11 0.81 3.64 -0.88 -2.07 116.57 118.97 1xmf h LYS 18 Ca 0.20 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1xmf h LYS 18 Cb -0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1xmf h LYS 18 CO -0.04 0.15 -0.15 0.82 -2.27 0.00 0.00 179.45 177.97 1xmf h ILE 19 N 0.24 1.17 0.00 2.00 2.04 0.02 -2.57 117.51 120.41 1xmf h ILE 19 Ca 0.18 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1xmf h ILE 19 Cb 0.19 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1xmf h ILE 19 CO -0.21 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.17 1xmf h ALA 20 N 1.69 1.00 -0.96 1.87 0.00 -0.46 -2.78 119.26 119.63 1xmf h ALA 20 Ca 0.03 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 1xmf h ALA 20 Cb 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.86 1xmf h ALA 20 CO 0.02 0.00 0.65 1.04 0.00 0.00 0.00 179.25 180.97 1xmf n GLN 21 N -2.82 2.36 -3.73 0.00 1.13 -0.97 -4.75 117.38 108.61 1xmf n GLN 21 Ca -0.01 -3.11 -0.35 0.00 -1.94 0.00 0.00 57.00 51.59 1xmf n GLN 21 Cb 0.16 -2.19 -0.09 0.00 0.11 0.00 0.00 30.24 28.23 1xmf n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xmf s LEU 22 N -3.44 5.22 0.00 1.08 1.43 -1.05 -4.92 118.68 117.00 1xmf s LEU 22 Ca 0.58 -3.31 0.28 0.00 -1.03 0.00 0.00 54.13 50.66 1xmf s LEU 22 Cb 0.48 -1.83 1.17 0.00 0.03 0.00 0.00 46.19 46.04 1xmf s LEU 22 CO 0.07 -0.25 1.82 0.59 0.23 0.00 0.00 176.35 178.81 1xmf n ASN 23 N 2.85 0.51 -4.21 2.29 4.13 -1.26 -4.86 115.26 114.71 1xmf n ASN 23 Ca 0.14 -0.57 -0.22 0.00 1.68 0.00 0.00 54.58 55.61 1xmf n ASN 23 Cb 0.37 -0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.42 1xmf n ASN 23 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1xmf s THR 24 N -2.50 1.38 0.10 3.41 -4.23 -1.26 -5.05 115.64 107.49 1xmf s THR 24 Ca 0.28 -1.26 -0.22 0.00 -1.18 0.00 0.00 61.69 59.31 1xmf s THR 24 Cb 0.20 -1.26 -0.13 0.00 1.34 0.00 0.00 72.50 72.65 1xmf s THR 24 CO 0.48 -0.03 1.74 0.25 -0.54 0.00 0.00 174.62 176.52 1xmf h LEU 25 N 4.53 0.08 -0.17 4.79 5.85 -1.89 -2.19 115.31 126.30 1xmf h LEU 25 Ca -0.42 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1xmf h LEU 25 Cb 1.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1xmf h LEU 25 CO 0.42 0.07 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.44 1xmf h GLU 26 N 0.07 -0.05 0.45 1.25 4.81 -1.97 0.18 114.58 119.33 1xmf h GLU 26 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xmf h GLU 26 Cb 0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xmf h GLU 26 CO -0.00 -0.03 -0.23 -0.22 -0.73 0.00 0.00 179.01 177.79 1xmf h LYS 27 N -0.05 -0.61 -0.56 1.92 3.64 -1.98 -0.66 116.57 118.27 1xmf h LYS 27 Ca 0.09 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1xmf h LYS 27 Cb 0.18 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1xmf h LYS 27 CO -0.20 -0.41 0.32 0.00 -2.27 0.00 0.00 179.45 176.89 1xmf h ALA 28 N -0.09 0.73 -0.35 5.00 0.00 -1.28 -0.89 119.26 122.38 1xmf h ALA 28 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xmf h ALA 28 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xmf h ALA 28 CO 0.09 0.00 0.22 0.00 0.00 0.00 0.00 179.25 179.56 1xmf h ALA 29 N 1.27 0.44 -0.63 0.00 0.00 -0.54 -1.09 119.26 118.72 1xmf h ALA 29 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xmf h ALA 29 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xmf h ALA 29 CO -0.13 -0.12 0.25 1.49 0.00 0.00 0.00 179.25 180.73 1xmf h GLU 30 N 0.44 0.93 -0.26 0.00 4.57 -0.71 -1.87 114.58 117.69 1xmf h GLU 30 Ca 0.13 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1xmf h GLU 30 Cb -0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1xmf h GLU 30 CO -0.05 0.77 -0.25 1.98 -1.18 0.00 0.00 179.01 180.28 1xmf h MET 31 N 0.91 0.49 -0.07 1.92 4.05 -0.75 -1.17 114.93 120.32 1xmf h MET 31 Ca 0.21 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1xmf h MET 31 Cb 0.19 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1xmf h MET 31 CO -0.02 0.71 0.01 1.25 0.23 0.00 0.00 176.91 179.10 1xmf h LEU 32 N 0.44 0.11 -0.82 3.39 5.85 -0.57 0.13 115.31 123.84 1xmf h LEU 32 Ca 0.06 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1xmf h LEU 32 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1xmf h LEU 32 CO 0.05 0.34 0.43 0.50 -0.34 0.00 0.00 178.44 179.41 1xmf h LYS 33 N -0.11 1.16 -0.59 1.25 3.64 -1.27 -0.55 116.57 120.10 1xmf h LYS 33 Ca 0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1xmf h LYS 33 Cb 0.27 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1xmf h LYS 33 CO 0.00 0.88 0.09 0.37 -2.27 0.00 0.00 179.45 178.52 1xmf h GLN 34 N 1.15 0.95 -0.69 1.90 5.75 -1.04 -1.80 115.11 121.33 1xmf h GLN 34 Ca 0.29 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1xmf h GLN 34 Cb 0.07 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1xmf h GLN 34 CO -0.04 0.88 0.21 0.35 -2.65 0.00 0.00 178.83 177.59 1xmf h PHE 35 N 0.90 1.11 -0.17 3.99 3.57 -0.04 -1.31 116.94 124.99 1xmf h PHE 35 Ca 0.18 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1xmf h PHE 35 Cb 0.40 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1xmf h PHE 35 CO 0.03 0.89 -0.30 0.00 -2.23 0.00 0.00 178.31 176.70 1xmf h ARG 36 N 1.01 0.34 -0.12 1.11 3.08 -0.70 0.21 114.38 119.31 1xmf h ARG 36 Ca 0.22 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1xmf h ARG 36 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1xmf h ARG 36 CO -0.01 0.61 -0.65 0.52 -1.07 0.00 0.00 179.97 179.37 1xmf h MET 37 N 0.30 0.46 0.14 0.04 2.86 -1.02 -2.59 114.93 115.12 1xmf h MET 37 Ca 0.04 -0.33 -0.28 0.00 -2.06 0.00 0.00 59.70 57.06 1xmf h MET 37 Cb 0.68 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.41 1xmf h MET 37 CO 0.05 0.95 -1.25 -0.44 1.06 0.00 0.00 176.91 177.28 1xmf h ASP 38 N 0.33 0.59 0.00 1.22 3.45 -0.93 -2.48 116.42 118.60 1xmf h ASP 38 Ca -0.02 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 56.85 1xmf h ASP 38 Cb 1.21 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1xmf h ASP 38 CO 0.12 1.44 0.00 1.41 -1.57 0.00 0.00 179.24 180.64 1xmf n HIS 39 N -3.64 0.00 -4.39 4.55 8.25 0.03 -1.96 115.22 118.06 1xmf n HIS 39 Ca -0.11 -0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1xmf n HIS 39 Cb 1.01 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.02 1xmf n HIS 39 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xmf s THR 40 N -0.07 2.85 0.36 1.59 -4.23 -0.97 -4.91 115.64 110.26 1xmf s THR 40 Ca 0.00 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1xmf s THR 40 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1xmf s THR 40 CO 0.00 -0.34 0.00 0.35 -0.54 0.00 0.00 174.62 174.09 1xmf n THR 41 N -0.57 -0.47 0.18 3.99 -2.24 -1.26 -2.72 114.28 111.18 1xmf n THR 41 Ca -0.07 0.52 0.08 0.00 -2.27 0.00 0.00 64.05 62.32 1xmf n THR 41 Cb 0.59 -0.81 0.40 0.00 -2.10 0.00 0.00 70.33 68.41 1xmf n THR 41 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1xmf n PRO 42 N -3.42 0.10 -0.36 -0.78 -0.02 -1.26 -1.28 135.00 127.99 1xmf n PRO 42 Ca -0.05 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1xmf n PRO 42 Cb 0.40 -1.80 0.29 0.00 -0.02 0.00 0.00 33.50 32.37 1xmf n PRO 42 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xmf n PHE 43 N -2.01 0.92 -1.60 6.00 3.72 -1.26 -4.99 117.46 118.25 1xmf n PHE 43 Ca -0.00 -0.44 -0.40 0.00 -0.05 0.00 0.00 57.45 56.56 1xmf n PHE 43 Cb 0.06 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1xmf n PHE 43 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1xmf n ARG 44 N 1.30 1.10 0.15 -1.08 1.85 -0.41 -4.84 116.66 114.73 1xmf n ARG 44 Ca 0.21 0.41 0.12 0.00 -1.00 0.00 0.00 57.85 57.59 1xmf n ARG 44 Cb 0.58 -2.06 0.52 0.00 -1.05 0.00 0.00 32.46 30.45 1xmf n ARG 44 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1xmf h ASN 45 N 0.99 0.00 -4.87 2.89 -0.26 -1.06 -3.45 115.58 109.83 1xmf h ASN 45 Ca -0.46 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.26 1xmf h ASN 45 Cb 1.35 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 38.44 1xmf h ASN 45 CO 0.53 0.00 0.26 -0.55 -1.06 0.00 0.00 177.43 176.62 1xmf s SER 46 N -4.34 -0.57 -0.11 5.81 0.15 -0.83 -5.03 113.70 108.78 1xmf s SER 46 Ca 0.03 0.39 0.15 0.00 0.70 0.00 0.00 55.95 57.22 1xmf s SER 46 Cb 0.09 0.52 0.51 0.00 -1.71 0.00 0.00 66.02 65.43 1xmf s SER 46 CO 0.38 -0.69 1.43 -1.22 1.20 0.00 0.00 173.24 174.34 1xmf n TYR 47 N 0.38 0.96 0.26 3.44 4.02 -1.26 -4.53 117.16 120.42 1xmf n TYR 47 Ca -0.16 -0.68 0.09 0.00 -0.01 0.00 0.00 57.90 57.13 1xmf n TYR 47 Cb 0.60 -0.21 0.66 0.00 -0.02 0.00 0.00 39.34 40.37 1xmf n TYR 47 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xmf h GLU 48 N 2.49 0.00 -0.44 -0.72 4.11 -1.96 -2.65 114.58 115.41 1xmf h GLU 48 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1xmf h GLU 48 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1xmf h GLU 48 CO 0.16 0.05 0.07 1.28 0.07 0.00 0.00 179.01 180.64 1xmf n LEU 49 N -4.32 4.73 -0.31 3.06 4.77 -1.26 -4.76 117.00 118.92 1xmf n LEU 49 Ca -0.03 -3.23 0.15 0.00 -0.03 0.00 0.00 56.01 52.88 1xmf n LEU 49 Cb 0.13 -0.63 0.33 0.00 -2.33 0.00 0.00 43.42 40.91 1xmf n LEU 49 CO 0.33 0.83 0.97 -0.78 -1.33 0.00 0.00 177.39 177.41 1xmf h ASP 50 N 2.04 0.09 0.75 -1.43 3.58 -1.81 0.29 116.42 119.93 1xmf h ASP 50 Ca 0.13 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1xmf h ASP 50 Cb 1.80 0.25 0.00 0.00 1.72 0.00 0.00 39.33 43.09 1xmf h ASP 50 CO 0.43 -0.16 -0.02 0.59 -2.88 0.00 0.00 179.24 177.21 1xmf n ASN 51 N -5.20 0.04 0.00 2.28 3.02 -1.26 -4.21 115.26 109.93 1xmf n ASN 51 Ca 0.23 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1xmf n ASN 51 Cb 0.74 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1xmf n ASN 51 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xmf n ASP 52 N -1.37 0.03 -0.25 6.41 8.00 -0.10 -4.87 116.55 124.40 1xmf n ASP 52 Ca 0.11 -0.19 -0.03 0.00 0.71 0.00 0.00 54.79 55.39 1xmf n ASP 52 Cb 0.29 0.39 0.08 0.00 -0.02 0.00 0.00 41.12 41.86 1xmf n ASP 52 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1xmf h TYR 53 N 0.00 0.81 -0.46 1.24 -0.00 -0.70 -0.18 116.97 117.68 1xmf h TYR 53 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 58.73 58.83 1xmf h TYR 53 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 36.73 36.41 1xmf h TYR 53 CO 0.00 0.45 0.10 -0.07 -0.00 0.00 0.00 178.16 178.64 1xmf h LEU 54 N 0.84 0.02 -0.14 0.10 3.38 -1.84 0.40 115.31 118.06 1xmf h LEU 54 Ca 0.29 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 1xmf h LEU 54 Cb 0.05 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xmf h LEU 54 CO -0.12 0.04 -0.12 -0.25 0.09 0.00 0.00 178.44 178.09 1xmf h TRP 55 N 0.23 0.39 -0.27 1.13 7.01 -1.83 -2.87 115.95 119.75 1xmf h TRP 55 Ca 0.23 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1xmf h TRP 55 Cb 0.29 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1xmf h TRP 55 CO -0.21 0.70 0.11 0.82 -2.79 0.00 0.00 178.44 177.07 1xmf h ILE 56 N -0.03 0.96 -0.38 2.65 2.04 -0.59 -2.20 117.51 119.96 1xmf h ILE 56 Ca 0.03 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1xmf h ILE 56 Cb 0.62 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1xmf h ILE 56 CO 0.03 0.04 -0.03 -0.08 0.00 0.00 0.00 178.15 178.11 1xmf h GLU 57 N 0.24 0.06 -0.78 2.37 4.81 -0.24 -0.62 114.58 120.42 1xmf h GLU 57 Ca 0.11 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1xmf h GLU 57 Cb 0.06 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 1xmf h GLU 57 CO -0.10 0.04 0.43 0.00 -0.73 0.00 0.00 179.01 178.65 1xmf h ALA 58 N 1.35 1.10 -0.25 2.92 0.00 -1.24 0.28 119.26 123.43 1xmf h ALA 58 Ca 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xmf h ALA 58 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xmf h ALA 58 CO -0.34 0.03 -0.13 0.87 0.00 0.00 0.00 179.25 179.68 1xmf h LYS 59 N 0.71 0.42 -0.21 0.00 1.79 -0.70 -1.34 116.57 117.25 1xmf h LYS 59 Ca 0.38 -0.11 -0.21 0.00 -2.18 0.00 0.00 60.65 58.53 1xmf h LYS 59 Cb 0.38 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1xmf h LYS 59 CO -0.26 0.55 -0.67 1.25 -1.08 0.00 0.00 179.45 179.24 1xmf h LEU 60 N 0.39 0.94 -0.97 2.94 5.85 0.45 -2.96 115.31 121.95 1xmf h LEU 60 Ca 0.07 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1xmf h LEU 60 Cb 0.47 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1xmf h LEU 60 CO 0.03 1.36 0.62 -0.33 -0.34 0.00 0.00 178.44 179.78 1xmf h GLU 61 N 0.59 1.29 -0.34 1.25 5.08 -0.13 -2.40 114.58 119.92 1xmf h GLU 61 Ca -0.02 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1xmf h GLU 61 Cb 1.29 -0.28 -0.07 0.00 0.50 0.00 0.00 28.75 30.19 1xmf h GLU 61 CO 0.14 0.87 -0.10 0.93 -1.00 0.00 0.00 179.01 179.85 1xmf h GLU 62 N 1.32 -0.03 -0.27 2.33 5.08 -1.10 0.49 114.58 122.40 1xmf h GLU 62 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1xmf h GLU 62 Cb -0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xmf h GLU 62 CO -0.07 -0.02 0.14 -0.22 -1.00 0.00 0.00 179.01 177.84 1xmf h LYS 63 N -0.03 0.39 -0.71 2.33 1.63 -1.33 -2.31 116.57 116.54 1xmf h LYS 63 Ca 0.17 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1xmf h LYS 63 Cb 0.28 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1xmf h LYS 63 CO -0.37 0.36 0.44 0.28 -3.45 0.00 0.00 179.45 176.71 1xmf h VAL 64 N 0.32 1.08 -0.01 2.00 2.07 -0.95 -1.22 116.25 119.54 1xmf h VAL 64 Ca 0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xmf h VAL 64 Cb 0.09 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1xmf h VAL 64 CO -0.01 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1xmf h ALA 65 N 1.31 0.01 -0.37 1.67 0.00 -0.75 0.67 119.26 121.80 1xmf h ALA 65 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1xmf h ALA 65 Cb 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xmf h ALA 65 CO -0.12 -0.45 0.16 0.28 0.00 0.00 0.00 179.25 179.11 1xmf h VAL 66 N -0.07 0.94 -0.41 0.00 2.07 -1.18 -1.01 116.25 116.59 1xmf h VAL 66 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1xmf h VAL 66 Cb 0.08 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1xmf h VAL 66 CO -0.00 0.06 0.05 -0.07 0.02 0.00 0.00 177.57 177.63 1xmf h LEU 67 N 0.34 0.66 -1.32 2.57 3.38 -1.12 -2.75 115.31 117.08 1xmf h LEU 67 Ca 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xmf h LEU 67 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xmf h LEU 67 CO -0.14 0.77 0.25 0.50 0.09 0.00 0.00 178.44 179.91 1xmf h LYS 68 N 0.53 0.71 -0.19 1.13 3.64 -0.52 -0.70 116.57 121.17 1xmf h LYS 68 Ca 0.12 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1xmf h LYS 68 Cb 0.40 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1xmf h LYS 68 CO 0.01 0.56 -0.37 0.00 -2.27 0.00 0.00 179.45 177.38 1xmf h ALA 69 N 1.56 1.02 0.00 5.00 0.00 -1.03 -0.32 119.26 125.49 1xmf h ALA 69 Ca 0.18 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1xmf h ALA 69 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xmf h ALA 69 CO -0.02 0.60 -0.90 0.00 0.00 0.00 0.00 179.25 178.93 1xmf h ARG 70 N 0.34 0.00 0.13 0.00 3.08 -1.12 -3.37 114.38 113.45 1xmf h ARG 70 Ca 0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.80 1xmf h ARG 70 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1xmf h ARG 70 CO 0.06 0.76 -1.43 0.00 -1.07 0.00 0.00 179.97 178.29 1xmf h ALA 71 N 1.20 0.15 -2.12 0.04 0.00 -1.03 -3.48 119.26 114.02 1xmf h ALA 71 Ca -0.03 -1.07 -0.45 0.00 0.00 0.00 0.00 54.91 53.36 1xmf h ALA 71 Cb 1.64 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1xmf h ALA 71 CO 0.10 0.83 0.32 -0.06 0.00 0.00 0.00 179.25 180.44 1xmf s PHE 72 N -2.49 3.35 0.59 0.00 0.40 -0.14 -5.07 117.98 114.61 1xmf s PHE 72 Ca -0.19 1.59 -0.06 0.00 -0.60 0.00 0.00 56.93 57.67 1xmf s PHE 72 Cb 0.04 -2.83 0.01 0.00 0.51 0.00 0.00 43.02 40.76 1xmf s PHE 72 CO 0.78 -0.06 0.89 0.54 0.70 0.00 0.00 175.22 178.08 1xmf s ASN 73 N -2.14 5.57 0.16 1.36 2.20 -1.26 -4.80 114.94 116.03 1xmf s ASN 73 Ca 0.60 0.68 -0.25 0.00 -0.94 0.00 0.00 52.86 52.95 1xmf s ASN 73 Cb -0.10 -1.67 0.02 0.00 -2.00 0.00 0.00 41.25 37.50 1xmf s ASN 73 CO 0.14 -1.07 1.59 -0.33 -2.94 0.00 0.00 177.10 174.49 1xmf h GLU 74 N -0.16 -0.30 -0.62 3.55 5.08 -1.97 -0.28 114.58 119.87 1xmf h GLU 74 Ca -0.45 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1xmf h GLU 74 Cb 1.26 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1xmf h GLU 74 CO 0.60 -0.20 0.29 -0.24 -1.00 0.00 0.00 179.01 178.47 1xmf h VAL 75 N -0.31 0.88 -0.68 3.13 3.04 -1.99 -2.17 116.25 118.15 1xmf h VAL 75 Ca 0.15 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 1xmf h VAL 75 Cb 0.57 0.30 -0.03 0.00 -2.01 0.00 0.00 31.29 30.12 1xmf h VAL 75 CO -0.53 0.10 0.12 0.44 -1.01 0.00 0.00 177.57 176.69 1xmf h ASP 76 N 0.53 1.06 0.09 3.17 3.32 -1.78 0.34 116.42 123.15 1xmf h ASP 76 Ca 0.29 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1xmf h ASP 76 Cb 0.27 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xmf h ASP 76 CO -0.23 1.04 -0.07 0.15 -1.72 0.00 0.00 179.24 178.41 1xmf h PHE 77 N 1.04 0.00 0.08 4.55 3.04 -0.47 0.68 116.94 125.85 1xmf h PHE 77 Ca 0.21 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.85 1xmf h PHE 77 Cb 0.42 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1xmf h PHE 77 CO 0.03 0.07 -1.67 0.00 -2.02 0.00 0.00 178.31 174.72 1xmf h ARG 78 N 0.00 0.17 -0.00 1.11 3.08 -0.85 -3.42 114.38 114.47 1xmf h ARG 78 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1xmf h ARG 78 Cb 0.13 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1xmf h ARG 78 CO 0.01 0.95 -0.10 0.72 -1.07 0.00 0.00 179.97 180.48 1xmf n HIS 79 N -3.33 0.00 -4.23 3.04 8.25 0.06 -4.80 115.22 114.21 1xmf n HIS 79 Ca -0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.96 1xmf n HIS 79 Cb 1.04 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.06 1xmf n HIS 79 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xmf s LYS 80 N -1.00 2.30 0.82 -0.41 1.02 0.23 -0.92 119.74 121.78 1xmf s LYS 80 Ca 0.02 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 1xmf s LYS 80 Cb 0.02 -2.40 0.09 0.00 -0.52 0.00 0.00 37.83 35.03 1xmf s LYS 80 CO 0.10 0.53 1.17 0.95 -0.92 0.00 0.00 175.35 177.18 1xmf s THR 81 N -1.22 2.04 0.57 2.17 -4.23 0.52 -4.54 115.64 110.95 1xmf s THR 81 Ca 0.22 0.01 0.41 0.00 -1.18 0.00 0.00 61.69 61.15 1xmf s THR 81 Cb -0.11 -2.97 0.42 0.00 1.34 0.00 0.00 72.50 71.18 1xmf s THR 81 CO 0.14 -0.02 2.30 0.00 -0.54 0.00 0.00 174.62 176.51 1xmf h ALA 82 N -1.12 1.08 -0.56 3.99 0.00 -1.17 -0.46 119.26 121.02 1xmf h ALA 82 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xmf h ALA 82 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xmf h ALA 82 CO 0.65 0.01 0.00 1.19 0.00 0.00 0.00 179.25 181.10 1xmf n PHE 83 N -3.20 1.02 -0.98 0.00 0.99 -1.26 -4.81 117.46 109.22 1xmf n PHE 83 Ca -0.02 -0.44 0.00 0.00 -0.00 0.00 0.00 57.45 56.98 1xmf n PHE 83 Cb 0.11 -0.12 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1xmf n PHE 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xmf n GLY 84 N 1.19 0.82 3.81 1.37 0.00 -0.18 -5.02 105.19 107.18 1xmf n GLY 84 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1xmf n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xmf s GLU 85 N -0.08 3.77 -0.29 1.61 2.02 -1.26 -4.73 118.70 119.75 1xmf s GLU 85 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1xmf s GLU 85 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1xmf s GLU 85 CO 0.00 -0.44 1.22 0.34 0.02 0.00 0.00 175.26 176.40 1xmf s ASP 86 N -2.35 6.79 0.16 -0.19 -1.08 -1.26 -0.36 116.67 118.39 1xmf s ASP 86 Ca 0.65 1.22 -0.16 0.00 -0.52 0.00 0.00 52.55 53.74 1xmf s ASP 86 Cb -0.14 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 38.88 1xmf s ASP 86 CO 0.24 -0.97 1.72 0.00 0.52 0.00 0.00 175.17 176.68 1xmf h ALA 87 N 8.76 0.41 -0.76 3.66 0.00 -1.35 -2.24 119.26 127.74 1xmf h ALA 87 Ca -0.24 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xmf h ALA 87 Cb 1.09 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1xmf h ALA 87 CO 1.02 -0.34 0.50 -0.22 0.00 0.00 0.00 179.25 180.21 1xmf h LYS 88 N 0.18 0.89 0.67 0.00 3.64 -1.92 -0.91 116.57 119.12 1xmf h LYS 88 Ca 0.19 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1xmf h LYS 88 Cb 0.24 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1xmf h LYS 88 CO -0.27 0.59 -0.32 0.77 -2.27 0.00 0.00 179.45 177.96 1xmf h SER 89 N 0.92 -0.76 -0.61 4.20 0.02 -1.80 -0.46 113.55 115.06 1xmf h SER 89 Ca 0.31 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 1xmf h SER 89 Cb 0.07 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 1xmf h SER 89 CO -0.09 -0.50 0.08 0.58 -1.14 0.00 0.00 176.83 175.76 1xmf h VAL 90 N -0.97 0.57 0.51 2.27 2.07 -1.12 0.45 116.25 120.04 1xmf h VAL 90 Ca -0.09 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1xmf h VAL 90 Cb 0.71 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xmf h VAL 90 CO 0.15 0.04 -0.29 0.25 0.02 0.00 0.00 177.57 177.73 1xmf h LEU 91 N 0.20 -0.73 -1.24 2.57 5.85 -1.00 0.92 115.31 121.88 1xmf h LEU 91 Ca 0.32 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1xmf h LEU 91 Cb 0.50 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1xmf h LEU 91 CO -0.46 -0.47 0.34 0.44 -0.34 0.00 0.00 178.44 177.95 1xmf h ASP 92 N -0.76 0.77 0.24 1.25 3.45 -0.61 -0.00 116.42 120.76 1xmf h ASP 92 Ca -0.06 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1xmf h ASP 92 Cb 0.61 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1xmf h ASP 92 CO 0.08 0.62 -0.12 1.23 -1.57 0.00 0.00 179.24 179.48 1xmf h GLY 93 N 0.93 -0.34 1.02 2.75 0.00 0.15 -0.99 103.07 106.59 1xmf h GLY 93 Ca 0.22 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1xmf h GLY 93 CO -0.04 -0.12 0.60 -0.84 0.00 0.00 0.00 176.54 176.14 1xmf h THR 94 N -0.55 1.26 -0.69 4.70 2.02 -0.58 -1.56 112.91 117.51 1xmf h THR 94 Ca -0.03 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1xmf h THR 94 Cb 0.41 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1xmf h THR 94 CO 0.05 0.26 0.29 0.58 0.37 0.00 0.00 175.52 177.08 1xmf h VAL 95 N 1.32 1.23 0.13 3.16 2.07 -0.93 -0.94 116.25 122.29 1xmf h VAL 95 Ca 0.35 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xmf h VAL 95 Cb -0.09 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1xmf h VAL 95 CO -0.07 0.29 -0.07 0.00 0.02 0.00 0.00 177.57 177.74 1xmf h ALA 96 N 1.34 -0.18 -0.99 1.67 0.00 -0.25 -0.98 119.26 119.87 1xmf h ALA 96 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xmf h ALA 96 Cb 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1xmf h ALA 96 CO -0.02 -0.60 0.65 0.87 0.00 0.00 0.00 179.25 180.14 1xmf h LYS 97 N -0.18 1.24 -0.46 0.00 1.57 -1.02 -1.55 116.57 116.18 1xmf h LYS 97 Ca -0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xmf h LYS 97 Cb 0.14 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1xmf h LYS 97 CO 0.03 0.82 0.28 1.98 -0.57 0.00 0.00 179.45 181.99 1xmf h MET 98 N 1.28 0.61 0.00 3.15 4.05 -0.72 -1.41 114.93 121.89 1xmf h MET 98 Ca 0.38 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.69 1xmf h MET 98 Cb -0.05 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1xmf h MET 98 CO -0.11 0.44 -0.28 -0.91 0.23 0.00 0.00 176.91 176.28 1xmf h ASN 99 N 0.61 0.00 -0.11 1.39 2.35 -0.71 -1.74 115.58 117.36 1xmf h ASN 99 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1xmf h ASN 99 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xmf h ASN 99 CO -0.03 0.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 1xmf n ALA 100 N -2.34 2.55 -1.85 -0.83 0.00 -0.63 -4.90 120.51 112.52 1xmf n ALA 100 Ca -0.01 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1xmf n ALA 100 Cb 0.39 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1xmf n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmf s ALA 101 N -1.86 3.62 -0.02 0.00 0.00 -0.60 -4.94 121.76 117.96 1xmf s ALA 101 Ca 0.32 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 1xmf s ALA 101 Cb 0.16 -3.56 -0.28 0.00 0.00 0.00 0.00 23.12 19.44 1xmf s ALA 101 CO 0.26 -0.78 0.99 0.87 0.00 0.00 0.00 175.76 177.10 1xmf h LYS 102 N 4.67 0.36 0.00 0.00 6.56 -1.90 -3.49 116.57 122.77 1xmf h LYS 102 Ca -0.47 -0.50 -0.31 0.00 -1.06 0.00 0.00 60.65 58.32 1xmf h LYS 102 Cb 1.22 0.17 -0.08 0.00 -0.57 0.00 0.00 32.23 32.97 1xmf h LYS 102 CO 0.75 1.19 -0.30 -0.40 -2.06 0.00 0.00 179.45 178.64 1xmf n ASP 103 N -4.15 -0.27 0.27 0.86 5.68 -1.26 -5.04 116.55 112.64 1xmf n ASP 103 Ca -0.12 -2.39 0.17 0.00 -0.50 0.00 0.00 54.79 51.95 1xmf n ASP 103 Cb 0.77 1.01 0.68 0.00 -1.14 0.00 0.00 41.12 42.44 1xmf n ASP 103 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1xmf h LYS 104 N 0.00 0.00 0.08 0.11 2.10 -1.94 -2.59 116.57 114.33 1xmf h LYS 104 Ca -0.15 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.26 1xmf h LYS 104 Cb 0.76 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.11 1xmf h LYS 104 CO 0.23 0.00 -0.96 -1.49 -2.00 0.00 0.00 179.45 175.22 1xmf h TRP 105 N 0.00 0.82 -0.24 0.07 4.06 -1.96 -2.45 115.95 116.25 1xmf h TRP 105 Ca 0.00 -0.50 -0.13 0.00 2.06 0.00 0.00 58.89 60.31 1xmf h TRP 105 Cb 0.49 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1xmf h TRP 105 CO 0.00 1.35 -0.41 1.49 -3.56 0.00 0.00 178.44 177.31 1xmf h GLU 106 N 0.07 0.56 -0.10 0.49 4.81 -1.96 -3.00 114.58 115.45 1xmf h GLU 106 Ca -0.14 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1xmf h GLU 106 Cb 1.67 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.05 1xmf h GLU 106 CO 0.19 0.87 0.06 0.00 -0.73 0.00 0.00 179.01 179.39 1xmf h ALA 107 N 1.09 0.13 -0.32 2.92 0.00 -1.49 -2.04 119.26 119.55 1xmf h ALA 107 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xmf h ALA 107 Cb 0.91 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xmf h ALA 107 CO 0.08 -0.32 -0.02 1.05 0.00 0.00 0.00 179.25 180.03 1xmf h GLU 108 N 0.07 0.50 -0.28 0.00 4.11 -1.43 -1.24 114.58 116.31 1xmf h GLU 108 Ca 0.04 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1xmf h GLU 108 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xmf h GLU 108 CO -0.01 0.55 0.13 0.87 0.07 0.00 0.00 179.01 180.62 1xmf h LYS 109 N 0.48 0.40 0.33 1.06 1.57 -1.36 -0.51 116.57 118.56 1xmf h LYS 109 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xmf h LYS 109 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1xmf h LYS 109 CO 0.01 0.41 -0.23 0.82 -0.57 0.00 0.00 179.45 179.89 1xmf h ILE 110 N 0.31 0.52 0.30 1.86 2.04 -0.81 -1.26 117.51 120.46 1xmf h ILE 110 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1xmf h ILE 110 Cb 0.14 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1xmf h ILE 110 CO -0.01 0.00 -0.17 -0.74 0.00 0.00 0.00 178.15 177.23 1xmf h HIS 111 N -0.56 -0.44 -0.35 1.37 2.76 -1.19 -1.43 115.15 115.32 1xmf h HIS 111 Ca -0.03 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1xmf h HIS 111 Cb 0.47 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 1xmf h HIS 111 CO -0.11 -0.27 0.15 0.82 -1.30 0.00 0.00 177.93 177.23 1xmf h ILE 112 N -0.44 0.95 -0.55 6.26 2.04 -1.08 -1.92 117.51 122.77 1xmf h ILE 112 Ca -0.03 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1xmf h ILE 112 Cb 0.36 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1xmf h ILE 112 CO 0.04 0.06 0.25 1.23 0.00 0.00 0.00 178.15 179.73 1xmf h GLY 113 N 0.32 0.83 0.93 5.37 0.00 -1.18 -1.43 103.07 107.92 1xmf h GLY 113 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1xmf h GLY 113 CO -0.12 0.37 0.48 -2.75 0.00 0.00 0.00 176.54 174.51 1xmf h PHE 114 N 0.77 0.90 -0.42 5.60 3.57 -0.52 -0.65 116.94 126.19 1xmf h PHE 114 Ca 0.19 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1xmf h PHE 114 Cb 0.11 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1xmf h PHE 114 CO 0.01 0.54 -0.06 0.00 -2.23 0.00 0.00 178.31 176.57 1xmf h ARG 115 N 0.95 0.78 -0.52 1.11 3.08 -0.75 -0.92 114.38 118.11 1xmf h ARG 115 Ca 0.28 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1xmf h ARG 115 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1xmf h ARG 115 CO -0.09 0.88 0.17 1.96 -1.07 0.00 0.00 179.97 181.83 1xmf h GLN 116 N 0.60 0.76 0.02 0.04 4.20 -0.67 -2.52 115.11 117.55 1xmf h GLN 116 Ca 0.11 -0.13 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 1xmf h GLN 116 Cb 0.57 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1xmf h GLN 116 CO 0.03 0.66 -1.85 0.00 -0.67 0.00 0.00 178.83 177.00 1xmf n ALA 117 N -2.46 1.37 0.17 3.87 0.00 -0.31 -4.63 120.51 118.53 1xmf n ALA 117 Ca 0.04 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.71 1xmf n ALA 117 Cb 0.18 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1xmf n ALA 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xmf n TYR 118 N -3.11 0.03 -1.61 0.00 4.02 -0.36 -4.85 117.16 111.29 1xmf n TYR 118 Ca -0.22 -0.07 -0.51 0.00 -0.01 0.00 0.00 57.90 57.09 1xmf n TYR 118 Cb 1.06 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 40.32 1xmf n TYR 118 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1xmf n LYS 119 N 0.24 1.36 -1.35 -0.72 4.81 -0.95 -1.36 118.16 120.19 1xmf n LYS 119 Ca 0.03 0.49 -0.38 0.00 -0.87 0.00 0.00 58.31 57.59 1xmf n LYS 119 Cb 0.15 -2.16 0.04 0.00 0.02 0.00 0.00 35.03 33.09 1xmf n LYS 119 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xmf n PRO 120 N 2.70 0.34 0.00 1.64 -0.02 -1.25 -2.18 135.00 136.23 1xmf n PRO 120 Ca 0.18 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1xmf n PRO 120 Cb 0.21 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1xmf n PRO 120 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xmf n PRO 121 N 0.15 0.95 0.00 0.52 -0.04 -1.26 -4.92 135.00 130.40 1xmf n PRO 121 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1xmf n PRO 121 Cb 0.48 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1xmf n PRO 121 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xmf n ILE 122 N 0.16 0.00 -3.17 0.52 2.08 -0.92 -4.45 119.36 113.57 1xmf n ILE 122 Ca 0.00 0.54 -0.34 0.00 0.56 0.00 0.00 62.75 63.51 1xmf n ILE 122 Cb 0.30 -1.38 -0.06 0.00 -0.75 0.00 0.00 39.64 37.76 1xmf n ILE 122 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1xmf s MET 123 N -1.05 4.05 0.41 0.38 1.75 -0.46 -0.77 119.30 123.61 1xmf s MET 123 Ca 0.00 0.67 -0.26 0.00 -1.25 0.00 0.00 55.69 54.85 1xmf s MET 123 Cb 0.00 -2.63 -0.09 0.00 2.84 0.00 0.00 34.83 34.95 1xmf s MET 123 CO 0.00 0.27 1.41 -2.14 -0.65 0.00 0.00 175.02 173.91 1xmf s PRO 124 N -2.58 3.91 0.24 4.11 0.02 -1.26 -3.86 135.00 135.59 1xmf s PRO 124 Ca 0.49 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.85 1xmf s PRO 124 Cb -0.13 -2.79 0.45 0.00 0.02 0.00 0.00 34.50 32.05 1xmf s PRO 124 CO 0.19 -0.62 1.73 -0.39 -0.33 0.00 0.00 177.00 177.58 1xmf h VAL 125 N 2.58 0.67 -0.55 3.83 -1.51 -1.94 -1.35 116.25 117.97 1xmf h VAL 125 Ca -0.50 -0.15 0.08 0.00 -1.23 0.00 0.00 66.70 64.89 1xmf h VAL 125 Cb 1.25 0.18 -0.06 0.00 -2.13 0.00 0.00 31.29 30.52 1xmf h VAL 125 CO 0.63 0.08 0.20 0.78 -1.23 0.00 0.00 177.57 178.03 1xmf h ASN 126 N 0.45 0.21 -0.23 4.19 2.35 -1.94 0.48 115.58 121.09 1xmf h ASN 126 Ca 0.41 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 56.08 1xmf h ASN 126 Cb 0.61 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1xmf h ASN 126 CO -0.40 0.14 -0.43 1.88 -1.65 0.00 0.00 177.43 176.97 1xmf h TYR 127 N 0.39 0.87 -0.26 1.19 -1.99 -1.81 -2.44 116.97 112.92 1xmf h TYR 127 Ca 0.27 -0.31 0.03 0.00 2.00 0.00 0.00 58.73 60.73 1xmf h TYR 127 Cb 0.31 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1xmf h TYR 127 CO -0.16 1.09 0.06 0.35 -0.00 0.00 0.00 178.16 179.49 1xmf h PHE 128 N 0.41 0.09 0.00 4.88 3.57 -0.61 0.17 116.94 125.45 1xmf h PHE 128 Ca 0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1xmf h PHE 128 Cb 1.03 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1xmf h PHE 128 CO 0.08 0.03 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.72 1xmf h LEU 129 N 0.16 0.00 -0.66 0.59 3.38 -0.99 0.13 115.31 117.91 1xmf h LEU 129 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1xmf h LEU 129 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1xmf h LEU 129 CO -0.15 0.41 -0.04 -0.78 0.09 0.00 0.00 178.44 177.96 1xmf h ASP 130 N 0.00 0.98 -0.25 -0.43 1.82 -0.86 -1.88 116.42 115.79 1xmf h ASP 130 Ca -0.00 -0.29 -0.04 0.00 -0.39 0.00 0.00 57.03 56.31 1xmf h ASP 130 Cb 0.91 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1xmf h ASP 130 CO 0.05 1.06 0.01 1.23 -1.61 0.00 0.00 179.24 179.98 1xmf h GLY 131 N 0.98 0.47 0.22 -0.78 0.00 0.33 -2.77 103.07 101.52 1xmf h GLY 131 Ca 0.15 -0.34 0.17 0.00 0.00 0.00 0.00 47.33 47.32 1xmf h GLY 131 CO 0.04 0.31 0.62 0.83 0.00 0.00 0.00 176.54 178.34 1xmf h GLU 132 N 0.22 0.80 -0.26 4.80 4.39 -0.56 0.13 114.58 124.10 1xmf h GLU 132 Ca 0.07 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xmf h GLU 132 Cb 0.39 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1xmf h GLU 132 CO 0.01 0.53 0.15 -0.09 -1.16 0.00 0.00 179.01 178.45 1xmf h ARG 133 N 0.82 0.35 0.07 2.33 2.43 -1.08 -0.93 114.38 118.37 1xmf h ARG 133 Ca 0.56 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.59 1xmf h ARG 133 Cb 0.79 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1xmf h ARG 133 CO -0.35 0.30 -0.44 1.96 -1.51 0.00 0.00 179.97 179.93 1xmf h GLN 134 N 0.31 0.15 -0.53 0.20 4.20 -1.10 -3.09 115.11 115.24 1xmf h GLN 134 Ca 0.09 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1xmf h GLN 134 Cb 0.04 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1xmf h GLN 134 CO -0.02 1.12 0.30 -0.07 -0.67 0.00 0.00 178.83 179.50 1xmf h LEU 135 N -0.69 0.66 -0.78 1.46 3.38 -0.86 -2.74 115.31 115.74 1xmf h LEU 135 Ca -0.08 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xmf h LEU 135 Cb 1.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1xmf h LEU 135 CO 0.07 0.55 0.51 1.23 0.09 0.00 0.00 178.44 180.89 1xmf h GLY 136 N 0.72 1.12 1.00 0.83 0.00 -1.29 -1.58 103.07 103.87 1xmf h GLY 136 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1xmf h GLY 136 CO -0.03 0.35 0.12 -0.84 0.00 0.00 0.00 176.54 176.14 1xmf h THR 137 N 1.00 1.05 -0.16 4.70 2.02 -1.40 -2.17 112.91 117.95 1xmf h THR 137 Ca 0.30 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1xmf h THR 137 Cb -0.04 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1xmf h THR 137 CO -0.09 0.05 0.08 -0.09 0.37 0.00 0.00 175.52 175.83 1xmf h ARG 138 N 0.25 0.24 -0.56 6.66 9.65 -1.30 -2.39 114.38 126.92 1xmf h ARG 138 Ca 0.07 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1xmf h ARG 138 Cb -0.03 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 1xmf h ARG 138 CO -0.01 0.28 0.24 1.25 2.80 0.00 0.00 179.97 184.52 1xmf h LEU 139 N 0.14 0.28 -0.24 3.80 5.85 -1.15 -2.16 115.31 121.82 1xmf h LEU 139 Ca 0.06 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xmf h LEU 139 Cb 0.12 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1xmf h LEU 139 CO -0.01 0.18 0.06 0.24 -0.34 0.00 0.00 178.44 178.57 1xmf h MET 140 N 0.44 0.38 -0.44 1.25 2.86 -1.33 -1.09 114.93 116.99 1xmf h MET 140 Ca 0.27 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.91 1xmf h MET 140 Cb 0.27 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.79 1xmf h MET 140 CO -0.24 0.48 -0.19 0.93 1.06 0.00 0.00 176.91 178.95 1xmf h GLU 141 N 0.21 -0.10 -0.43 1.72 5.08 -0.99 0.27 114.58 120.34 1xmf h GLU 141 Ca 0.07 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1xmf h GLU 141 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xmf h GLU 141 CO 0.00 -0.07 0.03 -0.07 -1.00 0.00 0.00 179.01 177.90 1xmf h LEU 142 N -0.10 0.72 -0.53 1.33 3.38 -1.31 -3.25 115.31 115.55 1xmf h LEU 142 Ca 0.21 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1xmf h LEU 142 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xmf h LEU 142 CO -0.51 0.83 -0.25 0.03 0.09 0.00 0.00 178.44 178.63 1xmf h ARG 143 N 0.58 0.93 -0.67 1.13 3.08 -0.43 -3.22 114.38 115.79 1xmf h ARG 143 Ca 0.12 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1xmf h ARG 143 Cb 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1xmf h ARG 143 CO 0.02 1.07 0.00 0.09 -1.07 0.00 0.00 179.97 180.07 1xmf n ASN 144 N -4.10 2.60 -4.51 7.04 3.02 0.86 -4.47 115.26 115.70 1xmf n ASN 144 Ca -0.00 -2.27 -0.42 0.00 -0.03 0.00 0.00 54.58 51.86 1xmf n ASN 144 Cb 0.47 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1xmf n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xmf s LEU 145 N -1.12 4.66 -1.28 3.41 2.96 -1.22 -4.15 118.68 121.94 1xmf s LEU 145 Ca 0.23 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1xmf s LEU 145 Cb 0.16 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1xmf s LEU 145 CO 0.09 -0.45 1.09 0.59 -1.32 0.00 0.00 176.35 176.35 1xmf n ASN 146 N 5.47 -4.18 0.04 3.68 3.02 -1.26 -4.87 115.26 117.16 1xmf n ASN 146 Ca -0.08 -0.59 0.20 0.00 -0.03 0.00 0.00 54.58 54.08 1xmf n ASN 146 Cb 0.48 -5.05 0.72 0.00 -0.61 0.00 0.00 39.78 35.33 1xmf n ASN 146 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xmf h TYR 147 N -2.30 0.00 -0.00 3.10 3.20 -1.78 -2.75 116.97 116.44 1xmf h TYR 147 Ca -0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1xmf h TYR 147 Cb 1.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1xmf h TYR 147 CO 0.47 0.00 -0.58 0.66 -1.64 0.00 0.00 178.16 177.07 1xmf n TYR 148 N -4.13 0.00 0.04 -3.82 4.02 -1.26 -4.65 117.16 107.35 1xmf n TYR 148 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.87 1xmf n TYR 148 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.86 1xmf n TYR 148 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1xmf h ASP 149 N 0.51 -0.26 -2.68 7.72 3.32 -1.87 -3.40 116.42 119.76 1xmf h ASP 149 Ca 0.00 0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.55 1xmf h ASP 149 Cb 0.40 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xmf h ASP 149 CO 0.00 -0.13 1.02 -0.89 -1.72 0.00 0.00 179.24 177.52 1xmf s THR 150 N -6.17 3.43 0.52 0.35 2.01 -1.26 -4.98 115.64 109.53 1xmf s THR 150 Ca -0.14 0.69 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 1xmf s THR 150 Cb 0.08 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 1xmf s THR 150 CO 0.67 -0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 173.45 1xmf s PRO 151 N 3.32 3.65 0.30 4.92 0.04 -1.26 -4.76 135.00 141.21 1xmf s PRO 151 Ca 0.72 1.34 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1xmf s PRO 151 Cb -0.35 -2.07 0.77 0.00 0.04 0.00 0.00 34.50 32.88 1xmf s PRO 151 CO 0.30 -0.55 1.66 -0.07 0.04 0.00 0.00 177.00 178.38 1xmf h LEU 152 N 1.25 0.15 -0.61 -3.56 3.38 -1.93 -0.06 115.31 113.93 1xmf h LEU 152 Ca -0.49 0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1xmf h LEU 152 Cb 1.22 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 1xmf h LEU 152 CO 0.58 -0.12 0.19 -0.33 0.09 0.00 0.00 178.44 178.86 1xmf h GLU 153 N 0.27 0.34 0.24 1.13 3.07 -2.01 -0.65 114.58 116.97 1xmf h GLU 153 Ca 0.58 -0.02 -0.32 0.00 -0.50 0.00 0.00 59.36 59.10 1xmf h GLU 153 Cb 1.18 -0.08 0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1xmf h GLU 153 CO -0.62 0.23 -1.41 1.49 -1.40 0.00 0.00 179.01 177.30 1xmf h GLU 154 N 0.35 0.51 -0.95 2.33 4.81 -1.53 -3.30 114.58 116.81 1xmf h GLU 154 Ca 0.31 -0.87 0.11 0.00 -0.13 0.00 0.00 59.36 58.78 1xmf h GLU 154 Cb 0.42 0.32 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1xmf h GLU 154 CO -0.34 1.42 0.61 1.25 -0.73 0.00 0.00 179.01 181.21 1xmf h LEU 155 N 0.07 0.86 -0.86 1.64 5.85 -0.77 0.14 115.31 122.24 1xmf h LEU 155 Ca -0.25 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1xmf h LEU 155 Cb 2.10 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 1xmf h LEU 155 CO 0.26 0.48 0.55 0.03 -0.34 0.00 0.00 178.44 179.41 1xmf h ARG 156 N 0.94 1.01 -0.28 1.25 3.08 -1.21 0.15 114.38 119.31 1xmf h ARG 156 Ca 0.46 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.28 1xmf h ARG 156 Cb 0.46 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1xmf h ARG 156 CO -0.22 0.67 -0.49 0.87 -1.07 0.00 0.00 179.97 179.73 1xmf h LYS 157 N 1.04 0.78 -0.62 0.04 1.57 -0.97 -0.70 116.57 117.71 1xmf h LYS 157 Ca 0.35 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1xmf h LYS 157 Cb 0.07 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1xmf h LYS 157 CO -0.14 1.08 0.18 1.96 -0.57 0.00 0.00 179.45 181.96 1xmf h GLN 158 N 0.61 0.97 -0.05 3.15 4.20 -0.19 -1.35 115.11 122.46 1xmf h GLN 158 Ca 0.03 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 1xmf h GLN 158 Cb 1.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1xmf h GLN 158 CO 0.10 0.87 -0.35 -0.09 -0.67 0.00 0.00 178.83 178.69 1xmf h ARG 159 N 0.89 0.10 -0.35 1.46 9.65 -0.93 -3.47 114.38 121.73 1xmf h ARG 159 Ca 0.20 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1xmf h ARG 159 Cb 0.31 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1xmf h ARG 159 CO -0.00 0.44 0.00 0.41 2.80 0.00 0.00 179.97 183.62 1xmf n GLY 160 N -0.44 0.74 3.89 2.80 0.00 -0.35 -5.06 105.19 106.77 1xmf n GLY 160 Ca -0.02 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1xmf n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmf s VAL 161 N -2.35 4.81 -0.42 1.61 0.11 -0.74 -5.03 120.40 118.39 1xmf s VAL 161 Ca 0.00 0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 1xmf s VAL 161 Cb 0.00 -3.83 0.05 0.00 -1.53 0.00 0.00 36.38 31.07 1xmf s VAL 161 CO 0.00 -0.85 0.29 -0.60 -3.33 0.00 0.00 175.10 170.61 1xmf s ARG 162 N -4.64 2.83 -0.06 1.54 3.52 -1.26 -4.79 118.95 116.09 1xmf s ARG 162 Ca 0.51 -1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 54.56 1xmf s ARG 162 Cb -0.10 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.32 1xmf s ARG 162 CO 0.44 -0.88 1.74 0.08 -0.81 0.00 0.00 175.30 175.87 1xmf s VAL 163 N 1.56 3.46 -0.18 7.11 1.01 -1.26 -4.87 120.40 127.23 1xmf s VAL 163 Ca 0.03 0.54 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1xmf s VAL 163 Cb -0.22 -3.38 -0.22 0.00 0.00 0.00 0.00 36.38 32.57 1xmf s VAL 163 CO 0.06 -0.08 0.12 0.52 0.00 0.00 0.00 175.10 175.72 1xmf n VAL 164 N 5.72 1.65 -3.63 2.92 0.31 -1.26 -5.02 118.33 119.02 1xmf n VAL 164 Ca 0.19 -0.53 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1xmf n VAL 164 Cb 0.43 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 1xmf n VAL 164 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1xmf s HIS 165 N -2.52 -0.57 0.01 3.52 2.46 -1.26 -5.17 115.29 111.76 1xmf s HIS 165 Ca -0.28 1.20 0.01 0.00 0.47 0.00 0.00 55.06 56.45 1xmf s HIS 165 Cb 0.08 0.27 -0.01 0.00 -0.13 0.00 0.00 32.58 32.79 1xmf s HIS 165 CO 0.68 -0.43 -0.03 -0.51 -2.47 0.00 0.00 174.74 171.97 1xmf s LEU 166 N -0.50 2.07 -0.01 8.88 1.43 -1.26 -5.15 118.68 124.14 1xmf s LEU 166 Ca -0.06 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1xmf s LEU 166 Cb -0.03 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.09 1xmf s LEU 166 CO 0.05 -0.04 0.01 -1.10 0.23 0.00 0.00 176.35 175.50 1xmf s GLN 167 N -0.46 -0.02 0.00 1.70 -0.21 -1.26 -5.32 119.66 114.10 1xmf s GLN 167 Ca -0.03 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1xmf s GLN 167 Cb -0.03 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.86 1xmf s GLN 167 CO -0.00 -0.08 0.44 -1.13 -2.12 0.00 0.00 175.29 172.40