#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmf n GLY 5 N 0.00 1.75 0.06 -0.72 0.00 -0.52 -4.87 105.19 100.89 1xmf n GLY 5 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 1.49 0.00 -0.61 2.04 -2.02 -3.38 117.51 115.03 1xmf h ILE 6 Ca 0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1xmf h ILE 6 Cb 0.00 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1xmf h ILE 6 CO 0.00 0.38 -1.52 1.41 0.00 0.00 0.00 178.15 178.42 1xmf n HIS 7 N -4.77 0.14 -3.62 1.37 8.25 -1.26 -4.86 115.22 110.46 1xmf n HIS 7 Ca -0.09 0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 1xmf n HIS 7 Cb 0.32 -0.43 -0.17 0.00 1.12 0.00 0.00 29.99 30.83 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 -4.17 1.94 0.22 0.41 0.15 -1.26 -5.08 113.70 105.90 1xmf s SER 8 Ca -0.02 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.13 1xmf s SER 8 Cb 0.14 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1xmf s SER 8 CO 0.87 -0.32 0.40 0.54 1.20 0.00 0.00 173.24 175.93 1xmf s ASN 9 N 2.16 -0.05 0.25 5.45 2.20 -1.26 -1.44 114.94 122.24 1xmf s ASN 9 Ca 0.03 -0.91 -0.04 0.00 -0.94 0.00 0.00 52.86 51.00 1xmf s ASN 9 Cb -0.15 0.53 0.41 0.00 -2.00 0.00 0.00 41.25 40.04 1xmf s ASN 9 CO -0.08 -1.04 1.80 0.44 -2.94 0.00 0.00 177.10 175.28 1xmf h ASP 10 N 2.35 0.64 -0.22 3.54 3.32 -1.93 -1.44 116.42 122.68 1xmf h ASP 10 Ca -0.29 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1xmf h ASP 10 Cb 1.25 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1xmf h ASP 10 CO 0.40 0.36 0.02 0.74 -1.72 0.00 0.00 179.24 179.04 1xmf h THR 11 N 0.76 0.87 -0.57 0.35 2.02 -1.99 0.98 112.91 115.32 1xmf h THR 11 Ca 0.40 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1xmf h THR 11 Cb 0.40 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1xmf h THR 11 CO -0.26 0.02 0.22 0.03 0.37 0.00 0.00 175.52 175.89 1xmf h ARG 12 N 0.09 0.87 -0.62 6.66 3.08 -1.84 -1.82 114.38 120.80 1xmf h ARG 12 Ca 0.10 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xmf h ARG 12 Cb 0.12 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1xmf h ARG 12 CO -0.16 0.76 0.38 -0.44 -1.07 0.00 0.00 179.97 179.44 1xmf h ASP 13 N 0.80 0.63 -0.00 7.04 3.32 -0.89 -0.86 116.42 126.44 1xmf h ASP 13 Ca 0.19 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1xmf h ASP 13 Cb 0.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1xmf h ASP 13 CO -0.01 0.44 -0.18 0.00 -1.72 0.00 0.00 179.24 177.76 1xmf h ALA 14 N 1.27 -0.23 -0.01 3.45 0.00 -0.31 -1.71 119.26 121.71 1xmf h ALA 14 Ca 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xmf h ALA 14 Cb 0.01 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xmf h ALA 14 CO -0.10 -0.68 -0.22 -1.49 0.00 0.00 0.00 179.25 176.76 1xmf h TRP 15 N -0.30 0.01 0.11 0.00 4.06 -1.03 -0.76 115.95 118.05 1xmf h TRP 15 Ca 0.06 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 1xmf h TRP 15 Cb 0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1xmf h TRP 15 CO -0.24 0.24 -0.05 0.28 -3.56 0.00 0.00 178.44 175.11 1xmf h VAL 16 N 0.01 0.96 -0.60 1.49 2.07 -0.41 0.27 116.25 120.05 1xmf h VAL 16 Ca 0.00 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1xmf h VAL 16 Cb 0.40 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1xmf h VAL 16 CO 0.03 0.07 0.40 0.78 0.02 0.00 0.00 177.57 178.86 1xmf h ASN 17 N -0.27 0.69 -0.28 0.57 2.35 -0.98 -1.06 115.58 116.60 1xmf h ASN 17 Ca -0.01 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1xmf h ASN 17 Cb 0.22 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1xmf h ASN 17 CO 0.02 0.50 0.01 0.50 -1.65 0.00 0.00 177.43 176.82 1xmf h LYS 18 N 0.82 0.09 -0.22 0.81 3.64 -0.83 -2.03 116.57 118.85 1xmf h LYS 18 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1xmf h LYS 18 Cb -0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1xmf h LYS 18 CO -0.05 0.06 0.00 0.82 -2.27 0.00 0.00 179.45 178.02 1xmf h ILE 19 N 0.10 1.14 0.00 2.00 2.04 0.04 -2.53 117.51 120.29 1xmf h ILE 19 Ca 0.13 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1xmf h ILE 19 Cb 0.17 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1xmf h ILE 19 CO -0.21 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.11 1xmf h ALA 20 N 1.70 1.00 -0.99 1.87 0.00 -0.44 -2.65 119.26 119.75 1xmf h ALA 20 Ca 0.07 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.40 1xmf h ALA 20 Cb 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.70 1xmf h ALA 20 CO 0.00 0.00 0.73 1.04 0.00 0.00 0.00 179.25 181.02 1xmf n GLN 21 N -2.99 2.44 -3.76 0.00 1.13 -0.95 -4.74 117.38 108.50 1xmf n GLN 21 Ca -0.02 -3.14 -0.34 0.00 -1.94 0.00 0.00 57.00 51.57 1xmf n GLN 21 Cb 0.14 -2.22 -0.10 0.00 0.11 0.00 0.00 30.24 28.17 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 -3.52 5.13 0.00 1.08 1.43 -1.00 -4.92 118.68 116.88 1xmf s LEU 22 Ca 0.60 -3.30 0.28 0.00 -1.03 0.00 0.00 54.13 50.69 1xmf s LEU 22 Cb 0.49 -1.80 1.15 0.00 0.03 0.00 0.00 46.19 46.06 1xmf s LEU 22 CO 0.06 -0.25 1.82 0.59 0.23 0.00 0.00 176.35 178.80 1xmf n ASN 23 N 2.84 0.43 -4.22 2.29 4.13 -1.26 -4.86 115.26 114.61 1xmf n ASN 23 Ca 0.13 -0.43 -0.22 0.00 1.68 0.00 0.00 54.58 55.74 1xmf n ASN 23 Cb 0.36 -0.09 -0.13 0.00 -1.54 0.00 0.00 39.78 38.39 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 -2.58 1.43 0.10 3.41 -4.23 -1.26 -5.05 115.64 107.46 1xmf s THR 24 Ca 0.25 -1.30 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 1xmf s THR 24 Cb 0.20 -1.30 -0.10 0.00 1.34 0.00 0.00 72.50 72.63 1xmf s THR 24 CO 0.50 -0.03 1.71 0.25 -0.54 0.00 0.00 174.62 176.51 1xmf h LEU 25 N 4.47 0.16 -0.38 4.79 5.85 -1.90 -1.83 115.31 126.46 1xmf h LEU 25 Ca -0.42 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.30 1xmf h LEU 25 Cb 1.18 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1xmf h LEU 25 CO 0.41 0.18 0.04 -0.08 -0.34 0.00 0.00 178.44 178.66 1xmf h GLU 26 N 0.13 0.15 0.83 1.25 4.81 -1.97 0.33 114.58 120.12 1xmf h GLU 26 Ca 0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xmf h GLU 26 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xmf h GLU 26 CO -0.01 0.10 -0.45 0.87 -0.73 0.00 0.00 179.01 178.79 1xmf h LYS 27 N 0.16 -1.14 -0.44 1.92 1.57 -1.96 -1.05 116.57 115.62 1xmf h LYS 27 Ca 0.19 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 1xmf h LYS 27 Cb 0.24 0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1xmf h LYS 27 CO -0.27 -0.76 0.12 0.00 -0.57 0.00 0.00 179.45 177.96 1xmf h ALA 28 N -1.07 0.51 -0.34 3.86 0.00 -1.11 0.05 119.26 121.16 1xmf h ALA 28 Ca -0.11 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xmf h ALA 28 Cb 0.93 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xmf h ALA 28 CO 0.15 -0.28 0.22 0.00 0.00 0.00 0.00 179.25 179.34 1xmf h ALA 29 N 1.32 0.43 -0.50 0.00 0.00 -0.29 -0.88 119.26 119.33 1xmf h ALA 29 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xmf h ALA 29 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xmf h ALA 29 CO -0.25 -0.12 0.15 1.49 0.00 0.00 0.00 179.25 180.51 1xmf h GLU 30 N 0.44 0.74 -0.24 0.00 4.57 -0.67 -1.89 114.58 117.53 1xmf h GLU 30 Ca 0.13 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1xmf h GLU 30 Cb -0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1xmf h GLU 30 CO -0.04 0.65 -0.32 1.98 -1.18 0.00 0.00 179.01 180.10 1xmf h MET 31 N 0.73 0.49 -0.01 1.92 4.05 -0.47 -1.26 114.93 120.37 1xmf h MET 31 Ca 0.17 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1xmf h MET 31 Cb 0.23 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1xmf h MET 31 CO -0.01 0.76 0.00 1.25 0.23 0.00 0.00 176.91 179.14 1xmf h LEU 32 N 0.42 0.02 -0.90 3.39 5.85 -0.51 0.16 115.31 123.74 1xmf h LEU 32 Ca 0.05 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1xmf h LEU 32 Cb 0.77 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1xmf h LEU 32 CO 0.06 0.25 0.53 0.50 -0.34 0.00 0.00 178.44 179.44 1xmf h LYS 33 N -0.22 1.23 -0.50 1.25 3.64 -1.29 -0.33 116.57 120.35 1xmf h LYS 33 Ca 0.00 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1xmf h LYS 33 Cb 0.24 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1xmf h LYS 33 CO 0.00 0.87 -0.00 0.37 -2.27 0.00 0.00 179.45 178.42 1xmf h GLN 34 N 1.24 0.85 -0.68 1.90 5.75 -1.04 -1.79 115.11 121.34 1xmf h GLN 34 Ca 0.32 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1xmf h GLN 34 Cb -0.03 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1xmf h GLN 34 CO -0.06 0.85 0.11 0.35 -2.65 0.00 0.00 178.83 177.43 1xmf h PHE 35 N 0.79 1.19 -0.17 3.99 3.57 0.21 -1.32 116.94 125.20 1xmf h PHE 35 Ca 0.15 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1xmf h PHE 35 Cb 0.48 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1xmf h PHE 35 CO 0.03 0.99 -0.33 0.00 -2.23 0.00 0.00 178.31 176.77 1xmf h ARG 36 N 1.05 0.34 -0.11 1.11 3.08 -0.68 0.26 114.38 119.44 1xmf h ARG 36 Ca 0.21 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 1xmf h ARG 36 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1xmf h ARG 36 CO 0.01 0.63 -0.67 0.52 -1.07 0.00 0.00 179.97 179.40 1xmf h MET 37 N 0.30 0.43 0.15 0.04 2.86 -1.05 -2.54 114.93 115.12 1xmf h MET 37 Ca 0.04 -0.32 -0.29 0.00 -2.06 0.00 0.00 59.70 57.07 1xmf h MET 37 Cb 0.72 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.45 1xmf h MET 37 CO 0.06 0.95 -1.28 -0.44 1.06 0.00 0.00 176.91 177.26 1xmf h ASP 38 N 0.31 0.53 0.00 1.22 3.45 -0.96 -2.51 116.42 118.46 1xmf h ASP 38 Ca -0.02 -0.56 0.00 0.00 0.43 0.00 0.00 57.03 56.88 1xmf h ASP 38 Cb 1.23 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 1xmf h ASP 38 CO 0.12 1.43 0.00 1.41 -1.57 0.00 0.00 179.24 180.63 1xmf n HIS 39 N -3.59 0.00 -4.38 4.55 8.25 0.06 -2.09 115.22 118.01 1xmf n HIS 39 Ca -0.10 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1xmf n HIS 39 Cb 1.03 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.06 2.88 0.33 1.59 -4.23 -0.96 -4.91 115.64 110.29 1xmf s THR 40 Ca 0.00 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1xmf s THR 40 Cb 0.00 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1xmf s THR 40 CO 0.00 -0.33 0.00 0.35 -0.54 0.00 0.00 174.62 174.10 1xmf n THR 41 N -0.55 -0.41 0.20 3.99 -2.24 -1.26 -2.73 114.28 111.28 1xmf n THR 41 Ca -0.07 0.47 0.07 0.00 -2.27 0.00 0.00 64.05 62.25 1xmf n THR 41 Cb 0.59 -0.74 0.33 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 -3.33 0.08 -0.29 -0.78 -0.02 -1.26 -1.42 135.00 127.97 1xmf n PRO 42 Ca -0.05 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1xmf n PRO 42 Cb 0.37 -1.72 0.28 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.88 0.77 -1.55 6.00 3.72 -1.26 -4.99 117.46 118.27 1xmf n PHE 43 Ca 0.00 -0.39 -0.40 0.00 -0.05 0.00 0.00 57.45 56.62 1xmf n PHE 43 Cb 0.07 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.35 0.95 0.16 -1.08 1.85 -0.51 -4.83 116.66 114.55 1xmf n ARG 44 Ca 0.21 0.35 0.13 0.00 -1.00 0.00 0.00 57.85 57.54 1xmf n ARG 44 Cb 0.54 -1.90 0.54 0.00 -1.05 0.00 0.00 32.46 30.60 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 0.95 0.00 -4.91 2.89 -0.26 -1.12 -3.45 115.58 109.68 1xmf h ASN 45 Ca -0.45 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.28 1xmf h ASN 45 Cb 1.37 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.47 1xmf h ASN 45 CO 0.53 0.00 0.25 -0.55 -1.06 0.00 0.00 177.43 176.60 1xmf s SER 46 N -4.47 -0.57 -0.09 5.81 0.15 -0.89 -5.03 113.70 108.61 1xmf s SER 46 Ca 0.03 0.32 0.14 0.00 0.70 0.00 0.00 55.95 57.15 1xmf s SER 46 Cb 0.09 0.53 0.46 0.00 -1.71 0.00 0.00 66.02 65.39 1xmf s SER 46 CO 0.40 -0.75 1.38 -1.22 1.20 0.00 0.00 173.24 174.25 1xmf n TYR 47 N 0.24 0.81 0.27 3.44 4.02 -1.26 -4.53 117.16 120.15 1xmf n TYR 47 Ca -0.17 -0.67 0.10 0.00 -0.01 0.00 0.00 57.90 57.16 1xmf n TYR 47 Cb 0.61 -0.18 0.72 0.00 -0.02 0.00 0.00 39.34 40.47 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 2.24 0.00 -0.40 -0.72 4.11 -1.96 -2.61 114.58 115.24 1xmf h GLU 48 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1xmf h GLU 48 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1xmf h GLU 48 CO 0.13 0.01 0.03 1.28 0.07 0.00 0.00 179.01 180.53 1xmf n LEU 49 N -4.30 4.60 -0.31 3.06 4.77 -1.26 -4.76 117.00 118.79 1xmf n LEU 49 Ca -0.03 -3.09 0.17 0.00 -0.03 0.00 0.00 56.01 53.02 1xmf n LEU 49 Cb 0.10 -0.61 0.35 0.00 -2.33 0.00 0.00 43.42 40.93 1xmf n LEU 49 CO 0.32 0.73 0.95 -0.78 -1.33 0.00 0.00 177.39 177.28 1xmf h ASP 50 N 2.31 -0.01 0.55 -1.43 3.58 -1.81 0.34 116.42 119.96 1xmf h ASP 50 Ca 0.05 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1xmf h ASP 50 Cb 1.70 0.30 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1xmf h ASP 50 CO 0.36 -0.23 -0.03 0.59 -2.88 0.00 0.00 179.24 177.06 1xmf n ASN 51 N -5.27 0.08 0.00 2.28 3.02 -1.26 -4.23 115.26 109.88 1xmf n ASN 51 Ca 0.25 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1xmf n ASN 51 Cb 0.81 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.24 0.20 -0.25 6.41 8.00 0.27 -4.88 116.55 125.05 1xmf n ASP 52 Ca 0.14 -0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.50 1xmf n ASP 52 Cb 0.25 0.30 0.11 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.74 -0.46 1.24 -0.00 -0.62 0.02 116.97 117.89 1xmf h TYR 53 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 58.73 58.82 1xmf h TYR 53 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 36.73 36.44 1xmf h TYR 53 CO 0.00 0.36 0.13 -0.07 -0.00 0.00 0.00 178.16 178.58 1xmf h LEU 54 N 0.74 0.10 -0.16 0.10 3.38 -1.84 0.41 115.31 118.04 1xmf h LEU 54 Ca 0.31 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 1xmf h LEU 54 Cb 0.18 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xmf h LEU 54 CO -0.18 0.09 -0.10 -0.25 0.09 0.00 0.00 178.44 178.09 1xmf h TRP 55 N 0.29 0.40 -0.10 1.13 7.01 -1.81 -2.85 115.95 120.01 1xmf h TRP 55 Ca 0.22 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1xmf h TRP 55 Cb 0.25 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1xmf h TRP 55 CO -0.18 0.68 -0.03 0.82 -2.79 0.00 0.00 178.44 176.94 1xmf h ILE 56 N 0.01 0.88 -0.51 2.65 2.04 -0.57 -2.27 117.51 119.75 1xmf h ILE 56 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1xmf h ILE 56 Cb 0.58 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 1xmf h ILE 56 CO 0.03 0.00 -0.00 -0.08 0.00 0.00 0.00 178.15 178.09 1xmf h GLU 57 N -0.01 0.11 -0.67 2.37 4.81 -0.21 -0.41 114.58 120.57 1xmf h GLU 57 Ca 0.05 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1xmf h GLU 57 Cb 0.09 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1xmf h GLU 57 CO -0.11 0.07 0.34 0.00 -0.73 0.00 0.00 179.01 178.58 1xmf h ALA 58 N 1.46 0.91 -0.17 2.92 0.00 -1.22 0.27 119.26 123.43 1xmf h ALA 58 Ca 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1xmf h ALA 58 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xmf h ALA 58 CO -0.43 -0.04 -0.14 0.87 0.00 0.00 0.00 179.25 179.51 1xmf h LYS 59 N 0.60 0.27 -0.16 0.00 1.79 -0.63 -1.25 116.57 117.19 1xmf h LYS 59 Ca 0.32 -0.07 -0.22 0.00 -2.18 0.00 0.00 60.65 58.50 1xmf h LYS 59 Cb 0.30 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1xmf h LYS 59 CO -0.24 0.42 -0.77 1.25 -1.08 0.00 0.00 179.45 179.03 1xmf h LEU 60 N 0.26 0.95 -1.03 2.94 5.85 0.44 -3.03 115.31 121.69 1xmf h LEU 60 Ca 0.05 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1xmf h LEU 60 Cb 0.42 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1xmf h LEU 60 CO 0.02 1.42 0.53 -0.33 -0.34 0.00 0.00 178.44 179.74 1xmf h GLU 61 N 0.55 1.19 -0.24 1.25 5.08 -0.02 -2.34 114.58 120.07 1xmf h GLU 61 Ca -0.05 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1xmf h GLU 61 Cb 1.40 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1xmf h GLU 61 CO 0.16 0.84 -0.15 0.93 -1.00 0.00 0.00 179.01 179.79 1xmf h GLU 62 N 1.21 -0.13 -0.23 2.33 5.08 -1.13 0.91 114.58 122.62 1xmf h GLU 62 Ca 0.32 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xmf h GLU 62 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xmf h GLU 62 CO -0.06 -0.08 0.15 -0.22 -1.00 0.00 0.00 179.01 177.79 1xmf h LYS 63 N -0.13 0.31 -0.65 2.33 1.63 -1.35 -2.09 116.57 116.62 1xmf h LYS 63 Ca 0.13 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1xmf h LYS 63 Cb 0.33 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 1xmf h LYS 63 CO -0.32 0.22 0.39 0.28 -3.45 0.00 0.00 179.45 176.58 1xmf h VAL 64 N 0.30 1.05 -0.05 2.00 2.07 -0.92 -1.00 116.25 119.70 1xmf h VAL 64 Ca 0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1xmf h VAL 64 Cb -0.01 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1xmf h VAL 64 CO -0.02 0.14 0.03 0.00 0.02 0.00 0.00 177.57 177.74 1xmf h ALA 65 N 1.29 0.07 -0.39 1.67 0.00 -0.58 0.79 119.26 122.11 1xmf h ALA 65 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1xmf h ALA 65 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xmf h ALA 65 CO -0.12 -0.41 0.20 0.28 0.00 0.00 0.00 179.25 179.20 1xmf h VAL 66 N 0.02 0.99 -0.32 0.00 2.07 -1.12 -1.19 116.25 116.70 1xmf h VAL 66 Ca 0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1xmf h VAL 66 Cb 0.05 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1xmf h VAL 66 CO -0.00 0.07 0.06 -0.07 0.02 0.00 0.00 177.57 177.66 1xmf h LEU 67 N 0.41 0.50 -1.42 2.57 3.38 -1.05 -2.69 115.31 117.01 1xmf h LEU 67 Ca 0.16 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xmf h LEU 67 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xmf h LEU 67 CO -0.11 0.61 0.40 0.50 0.09 0.00 0.00 178.44 179.93 1xmf h LYS 68 N 0.36 0.77 -0.19 1.13 3.64 -0.57 -0.41 116.57 121.30 1xmf h LYS 68 Ca 0.10 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1xmf h LYS 68 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xmf h LYS 68 CO 0.00 0.51 -0.39 0.00 -2.27 0.00 0.00 179.45 177.30 1xmf h ALA 69 N 1.63 0.97 0.00 5.00 0.00 -1.03 -0.34 119.26 125.49 1xmf h ALA 69 Ca 0.22 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1xmf h ALA 69 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xmf h ALA 69 CO -0.05 0.62 -0.81 0.00 0.00 0.00 0.00 179.25 179.01 1xmf h ARG 70 N 0.36 0.00 0.11 0.00 3.08 -1.05 -3.37 114.38 113.52 1xmf h ARG 70 Ca 0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 1xmf h ARG 70 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1xmf h ARG 70 CO 0.07 0.68 -1.36 0.00 -1.07 0.00 0.00 179.97 178.29 1xmf h ALA 71 N 1.28 0.16 -2.10 0.04 0.00 -0.99 -3.48 119.26 114.18 1xmf h ALA 71 Ca -0.03 -1.06 -0.45 0.00 0.00 0.00 0.00 54.91 53.37 1xmf h ALA 71 Cb 1.58 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1xmf h ALA 71 CO 0.09 0.79 0.35 -0.06 0.00 0.00 0.00 179.25 180.42 1xmf s PHE 72 N -2.47 3.31 0.53 0.00 0.40 -0.15 -5.07 117.98 114.53 1xmf s PHE 72 Ca -0.20 1.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.68 1xmf s PHE 72 Cb 0.04 -2.85 -0.00 0.00 0.51 0.00 0.00 43.02 40.72 1xmf s PHE 72 CO 0.76 -0.20 0.81 0.54 0.70 0.00 0.00 175.22 177.83 1xmf s ASN 73 N -2.32 5.78 0.15 1.36 2.20 -1.26 -4.81 114.94 116.05 1xmf s ASN 73 Ca 0.62 0.61 -0.27 0.00 -0.94 0.00 0.00 52.86 52.88 1xmf s ASN 73 Cb -0.10 -1.74 -0.01 0.00 -2.00 0.00 0.00 41.25 37.40 1xmf s ASN 73 CO 0.17 -0.86 1.57 -0.33 -2.94 0.00 0.00 177.10 174.70 1xmf h GLU 74 N 0.08 -0.30 -0.65 3.55 5.08 -1.97 -0.30 114.58 120.06 1xmf h GLU 74 Ca -0.46 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1xmf h GLU 74 Cb 1.25 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1xmf h GLU 74 CO 0.60 -0.20 0.29 -0.24 -1.00 0.00 0.00 179.01 178.46 1xmf h VAL 75 N -0.31 0.82 -0.69 3.13 3.04 -1.99 -2.11 116.25 118.13 1xmf h VAL 75 Ca 0.14 -0.17 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 1xmf h VAL 75 Cb 0.58 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.10 1xmf h VAL 75 CO -0.60 0.09 0.14 0.44 -1.01 0.00 0.00 177.57 176.63 1xmf h ASP 76 N 0.51 1.07 0.13 3.17 3.32 -1.74 0.38 116.42 123.26 1xmf h ASP 76 Ca 0.32 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1xmf h ASP 76 Cb 0.36 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xmf h ASP 76 CO -0.28 1.04 -0.09 0.15 -1.72 0.00 0.00 179.24 178.34 1xmf h PHE 77 N 1.06 0.00 0.07 4.55 3.04 -0.45 0.82 116.94 126.02 1xmf h PHE 77 Ca 0.21 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.86 1xmf h PHE 77 Cb 0.41 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1xmf h PHE 77 CO 0.03 0.09 -1.67 0.00 -2.02 0.00 0.00 178.31 174.75 1xmf h ARG 78 N 0.00 0.15 -0.00 1.11 3.08 -0.88 -3.42 114.38 114.42 1xmf h ARG 78 Ca -0.00 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xmf h ARG 78 Cb 0.18 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xmf h ARG 78 CO 0.01 0.91 -0.07 0.72 -1.07 0.00 0.00 179.97 180.48 1xmf n HIS 79 N -3.31 0.00 -4.29 3.04 8.25 0.08 -4.81 115.22 114.17 1xmf n HIS 79 Ca -0.19 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.96 1xmf n HIS 79 Cb 1.04 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.84 2.32 0.87 -0.41 1.02 0.28 -0.95 119.74 122.04 1xmf s LYS 80 Ca 0.02 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1xmf s LYS 80 Cb 0.02 -2.40 0.12 0.00 -0.52 0.00 0.00 37.83 35.05 1xmf s LYS 80 CO 0.07 0.54 1.20 0.95 -0.92 0.00 0.00 175.35 177.19 1xmf s THR 81 N -1.16 1.99 0.42 2.17 -4.23 0.75 -4.54 115.64 111.03 1xmf s THR 81 Ca 0.21 0.00 0.40 0.00 -1.18 0.00 0.00 61.69 61.11 1xmf s THR 81 Cb -0.11 -2.93 0.41 0.00 1.34 0.00 0.00 72.50 71.22 1xmf s THR 81 CO 0.12 0.00 2.20 0.00 -0.54 0.00 0.00 174.62 176.41 1xmf h ALA 82 N -1.32 1.00 -0.60 3.99 0.00 -1.24 -0.99 119.26 120.11 1xmf h ALA 82 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xmf h ALA 82 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xmf h ALA 82 CO 0.59 0.00 0.00 1.19 0.00 0.00 0.00 179.25 181.03 1xmf n PHE 83 N -3.01 1.05 -0.99 0.00 0.99 -1.26 -4.87 117.46 109.36 1xmf n PHE 83 Ca -0.02 -0.46 0.00 0.00 -0.00 0.00 0.00 57.45 56.97 1xmf n PHE 83 Cb 0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 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 1.29 0.92 3.80 1.37 0.00 -0.37 -5.02 105.19 107.18 1xmf n GLY 84 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 3.77 -0.32 1.61 2.02 -1.26 -4.72 118.70 119.79 1xmf s GLU 85 Ca 0.00 1.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.98 1xmf s GLU 85 Cb 0.00 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.14 1xmf s GLU 85 CO 0.00 -0.45 1.27 0.34 0.02 0.00 0.00 175.26 176.44 1xmf s ASP 86 N -2.22 6.69 0.17 -0.19 3.68 -1.26 -0.18 116.67 123.36 1xmf s ASP 86 Ca 0.66 1.12 -0.16 0.00 2.13 0.00 0.00 52.55 56.29 1xmf s ASP 86 Cb -0.15 -2.54 0.11 0.00 -1.45 0.00 0.00 42.92 38.88 1xmf s ASP 86 CO 0.23 -1.08 1.69 0.00 0.13 0.00 0.00 175.17 176.14 1xmf h ALA 87 N 9.20 0.34 -0.68 3.66 0.00 -1.37 -2.05 119.26 128.37 1xmf h ALA 87 Ca -0.25 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xmf h ALA 87 Cb 1.09 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1xmf h ALA 87 CO 1.04 -0.41 0.45 -0.22 0.00 0.00 0.00 179.25 180.11 1xmf h LYS 88 N 0.08 0.77 0.75 0.00 3.64 -1.92 -0.88 116.57 119.02 1xmf h LYS 88 Ca 0.19 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1xmf h LYS 88 Cb 0.28 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1xmf h LYS 88 CO -0.34 0.51 -0.36 0.77 -2.27 0.00 0.00 179.45 177.76 1xmf h SER 89 N 0.80 -0.86 -0.60 4.20 0.02 -1.77 -0.54 113.55 114.80 1xmf h SER 89 Ca 0.27 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.36 1xmf h SER 89 Cb 0.09 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.75 1xmf h SER 89 CO -0.08 -0.56 0.02 0.58 -1.14 0.00 0.00 176.83 175.65 1xmf h VAL 90 N -1.09 0.53 0.47 2.27 2.07 -1.06 0.52 116.25 119.94 1xmf h VAL 90 Ca -0.10 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xmf h VAL 90 Cb 0.79 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1xmf h VAL 90 CO 0.17 0.03 -0.32 0.25 0.02 0.00 0.00 177.57 177.72 1xmf h LEU 91 N 0.14 -0.81 -1.28 2.57 5.85 -1.04 0.11 115.31 120.85 1xmf h LEU 91 Ca 0.32 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1xmf h LEU 91 Cb 0.50 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1xmf h LEU 91 CO -0.50 -0.49 0.32 0.44 -0.34 0.00 0.00 178.44 177.88 1xmf h ASP 92 N -0.76 0.73 0.14 1.25 3.45 -0.49 0.04 116.42 120.77 1xmf h ASP 92 Ca -0.05 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1xmf h ASP 92 Cb 0.63 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1xmf h ASP 92 CO 0.03 0.59 -0.07 1.23 -1.57 0.00 0.00 179.24 179.45 1xmf h GLY 93 N 0.89 -0.19 1.12 2.75 0.00 0.32 -1.16 103.07 106.81 1xmf h GLY 93 Ca 0.21 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1xmf h GLY 93 CO -0.03 -0.07 0.34 -0.84 0.00 0.00 0.00 176.54 175.93 1xmf h THR 94 N -0.43 1.25 -0.58 4.70 2.02 -0.51 -1.66 112.91 117.69 1xmf h THR 94 Ca -0.02 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1xmf h THR 94 Cb 0.34 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1xmf h THR 94 CO 0.03 0.31 0.20 0.58 0.37 0.00 0.00 175.52 177.01 1xmf h VAL 95 N 1.11 1.22 0.19 3.16 2.07 -0.93 -0.96 116.25 122.11 1xmf h VAL 95 Ca 0.26 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1xmf h VAL 95 Cb 0.16 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xmf h VAL 95 CO -0.03 0.29 -0.09 0.00 0.02 0.00 0.00 177.57 177.76 1xmf h ALA 96 N 1.37 -0.26 -0.98 1.67 0.00 -0.39 -1.08 119.26 119.59 1xmf h ALA 96 Ca 0.20 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xmf h ALA 96 Cb 0.22 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1xmf h ALA 96 CO -0.01 -0.64 0.65 0.87 0.00 0.00 0.00 179.25 180.12 1xmf h LYS 97 N -0.27 1.21 -0.42 0.00 1.57 -1.03 -1.45 116.57 116.18 1xmf h LYS 97 Ca -0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xmf h LYS 97 Cb 0.21 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1xmf h LYS 97 CO 0.04 0.80 0.26 1.98 -0.57 0.00 0.00 179.45 181.97 1xmf h MET 98 N 1.25 0.57 0.00 3.15 4.05 -0.77 -1.12 114.93 122.06 1xmf h MET 98 Ca 0.39 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1xmf h MET 98 Cb -0.01 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1xmf h MET 98 CO -0.12 0.41 -0.25 -0.91 0.23 0.00 0.00 176.91 176.27 1xmf h ASN 99 N 0.56 0.00 -0.14 1.39 2.35 -0.71 -1.50 115.58 117.54 1xmf h ASN 99 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 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 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1xmf n ALA 100 N -2.31 2.53 -1.90 -0.83 0.00 -0.59 -4.89 120.51 112.52 1xmf n ALA 100 Ca -0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1xmf n ALA 100 Cb 0.37 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.83 3.81 0.03 0.00 0.00 -0.50 -4.91 121.76 118.36 1xmf s ALA 101 Ca 0.31 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.48 1xmf s ALA 101 Cb 0.16 -3.63 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 1xmf s ALA 101 CO 0.25 -0.80 1.24 0.87 0.00 0.00 0.00 175.76 177.31 1xmf h LYS 102 N 6.77 0.41 0.00 0.00 1.79 -1.90 -3.48 116.57 120.16 1xmf h LYS 102 Ca -0.43 -0.30 -0.44 0.00 -2.18 0.00 0.00 60.65 57.30 1xmf h LYS 102 Cb 1.20 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.79 1xmf h LYS 102 CO 0.92 0.93 -0.43 -0.40 -1.08 0.00 0.00 179.45 179.39 1xmf n ASP 103 N -4.38 -0.67 0.27 0.86 5.68 -1.26 -5.04 116.55 112.00 1xmf n ASP 103 Ca -0.08 -3.03 0.17 0.00 -0.50 0.00 0.00 54.79 51.36 1xmf n ASP 103 Cb 0.50 1.57 0.70 0.00 -1.14 0.00 0.00 41.12 42.76 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 0.06 0.11 2.10 -1.93 -2.51 116.57 114.41 1xmf h LYS 104 Ca -0.22 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.20 1xmf h LYS 104 Cb 1.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.46 1xmf h LYS 104 CO 0.32 0.00 -0.93 -1.49 -2.00 0.00 0.00 179.45 175.34 1xmf h TRP 105 N 0.00 0.82 -0.26 0.07 4.06 -1.97 -2.47 115.95 116.19 1xmf h TRP 105 Ca 0.00 -0.49 -0.14 0.00 2.06 0.00 0.00 58.89 60.32 1xmf h TRP 105 Cb 0.46 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1xmf h TRP 105 CO 0.00 1.33 -0.41 1.49 -3.56 0.00 0.00 178.44 177.29 1xmf h GLU 106 N 0.07 0.62 -0.06 0.49 4.81 -1.96 -3.04 114.58 115.51 1xmf h GLU 106 Ca -0.13 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1xmf h GLU 106 Cb 1.64 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 1xmf h GLU 106 CO 0.18 0.92 0.03 0.00 -0.73 0.00 0.00 179.01 179.41 1xmf h ALA 107 N 1.04 0.07 -0.00 2.92 0.00 -1.48 -1.73 119.26 120.08 1xmf h ALA 107 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xmf h ALA 107 Cb 0.93 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xmf h ALA 107 CO 0.08 -0.41 -0.16 1.05 0.00 0.00 0.00 179.25 179.82 1xmf h GLU 108 N 0.04 0.01 -0.31 0.00 4.11 -1.45 -0.97 114.58 116.01 1xmf h GLU 108 Ca 0.02 -0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 1xmf h GLU 108 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xmf h GLU 108 CO -0.00 0.16 -0.42 0.87 0.07 0.00 0.00 179.01 179.69 1xmf h LYS 109 N 0.01 0.78 0.29 1.06 1.57 -1.35 -1.31 116.57 117.63 1xmf h LYS 109 Ca -0.00 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1xmf h LYS 109 Cb 0.28 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xmf h LYS 109 CO 0.02 1.05 -0.14 0.82 -0.57 0.00 0.00 179.45 180.63 1xmf h ILE 110 N 0.63 0.75 0.34 1.86 2.04 -0.40 -2.01 117.51 120.72 1xmf h ILE 110 Ca 0.05 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1xmf h ILE 110 Cb 0.98 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1xmf h ILE 110 CO 0.09 0.09 -0.21 -0.74 0.00 0.00 0.00 178.15 177.38 1xmf h HIS 111 N -0.62 -0.55 -0.34 1.37 2.76 -1.23 -1.04 115.15 115.50 1xmf h HIS 111 Ca -0.04 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1xmf h HIS 111 Cb 0.44 0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 1xmf h HIS 111 CO 0.00 -0.33 0.12 0.82 -1.30 0.00 0.00 177.93 177.24 1xmf h ILE 112 N -0.53 0.90 -0.72 6.26 2.04 -1.31 -1.82 117.51 122.33 1xmf h ILE 112 Ca -0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1xmf h ILE 112 Cb 0.44 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1xmf h ILE 112 CO 0.03 0.05 0.38 1.23 0.00 0.00 0.00 178.15 179.84 1xmf h GLY 113 N 0.26 1.08 0.67 5.37 0.00 -1.30 -1.28 103.07 107.87 1xmf h GLY 113 Ca 0.16 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1xmf h GLY 113 CO -0.16 0.47 0.40 -2.75 0.00 0.00 0.00 176.54 174.50 1xmf h PHE 114 N 1.01 0.73 -0.44 5.60 3.57 -0.39 -0.20 116.94 126.82 1xmf h PHE 114 Ca 0.26 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 1xmf h PHE 114 Cb 0.05 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xmf h PHE 114 CO 0.01 0.35 -0.10 0.00 -2.23 0.00 0.00 178.31 176.33 1xmf h ARG 115 N 0.73 0.84 -0.35 1.11 3.08 -0.64 -0.83 114.38 118.31 1xmf h ARG 115 Ca 0.32 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1xmf h ARG 115 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1xmf h ARG 115 CO -0.19 0.95 0.03 1.96 -1.07 0.00 0.00 179.97 181.66 1xmf h GLN 116 N 0.67 0.54 0.04 0.04 4.20 -0.40 -2.48 115.11 117.71 1xmf h GLN 116 Ca 0.11 -0.10 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1xmf h GLN 116 Cb 0.64 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1xmf h GLN 116 CO 0.04 0.54 -1.97 0.00 -0.67 0.00 0.00 178.83 176.78 1xmf n ALA 117 N -2.48 1.31 0.30 3.87 0.00 -0.17 -4.65 120.51 118.70 1xmf n ALA 117 Ca 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 53.44 52.66 1xmf n ALA 117 Cb 0.22 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.15 0.01 -1.61 0.00 4.02 -0.32 -4.84 117.16 111.26 1xmf n TYR 118 Ca -0.26 -0.01 -0.52 0.00 -0.01 0.00 0.00 57.90 57.10 1xmf n TYR 118 Cb 1.06 -0.00 -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 0.42 1.24 -1.31 -0.72 4.81 -0.93 -1.37 118.16 120.29 1xmf n LYS 119 Ca 0.04 0.45 -0.37 0.00 -0.87 0.00 0.00 58.31 57.56 1xmf n LYS 119 Cb 0.19 -2.11 0.05 0.00 0.02 0.00 0.00 35.03 33.18 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 2.93 0.30 0.00 1.64 -0.02 -1.25 -2.27 135.00 136.33 1xmf n PRO 120 Ca 0.19 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1xmf n PRO 120 Cb 0.19 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.09 0.93 0.00 0.52 -0.04 -1.26 -4.92 135.00 130.32 1xmf n PRO 121 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1xmf n PRO 121 Cb 0.49 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.18 0.00 -3.04 0.52 2.08 -0.96 -4.47 119.36 113.66 1xmf n ILE 122 Ca 0.00 0.40 -0.33 0.00 0.56 0.00 0.00 62.75 63.38 1xmf n ILE 122 Cb 0.30 -1.02 -0.06 0.00 -0.75 0.00 0.00 39.64 38.11 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 -0.75 4.12 0.41 0.38 1.75 -0.47 -0.90 119.30 123.84 1xmf s MET 123 Ca 0.00 0.83 -0.26 0.00 -1.25 0.00 0.00 55.69 55.01 1xmf s MET 123 Cb 0.00 -2.46 -0.09 0.00 2.84 0.00 0.00 34.83 35.12 1xmf s MET 123 CO 0.00 0.15 1.37 -2.14 -0.65 0.00 0.00 175.02 173.76 1xmf s PRO 124 N -2.84 3.93 0.24 4.11 0.02 -1.26 -3.88 135.00 135.33 1xmf s PRO 124 Ca 0.54 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.83 1xmf s PRO 124 Cb -0.11 -2.79 0.45 0.00 0.02 0.00 0.00 34.50 32.07 1xmf s PRO 124 CO 0.17 -0.58 1.73 -0.39 -0.33 0.00 0.00 177.00 177.60 1xmf h VAL 125 N 2.54 0.66 -0.58 3.83 -1.51 -1.94 -1.17 116.25 118.08 1xmf h VAL 125 Ca -0.50 -0.15 0.08 0.00 -1.23 0.00 0.00 66.70 64.90 1xmf h VAL 125 Cb 1.25 0.18 -0.06 0.00 -2.13 0.00 0.00 31.29 30.53 1xmf h VAL 125 CO 0.63 0.08 0.24 0.78 -1.23 0.00 0.00 177.57 178.06 1xmf h ASN 126 N 0.44 0.26 -0.16 4.19 2.35 -1.94 0.39 115.58 121.11 1xmf h ASN 126 Ca 0.41 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 56.09 1xmf h ASN 126 Cb 0.62 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1xmf h ASN 126 CO -0.40 0.17 -0.42 1.88 -1.65 0.00 0.00 177.43 177.00 1xmf h TYR 127 N 0.43 0.74 -0.14 1.19 -1.99 -1.78 -2.47 116.97 112.96 1xmf h TYR 127 Ca 0.29 -0.29 0.04 0.00 2.00 0.00 0.00 58.73 60.77 1xmf h TYR 127 Cb 0.31 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 1xmf h TYR 127 CO -0.15 1.04 -0.14 0.35 -0.00 0.00 0.00 178.16 179.27 1xmf h PHE 128 N 0.22 -0.35 0.00 4.88 3.57 -0.65 0.22 116.94 124.83 1xmf h PHE 128 Ca -0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1xmf h PHE 128 Cb 1.04 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1xmf h PHE 128 CO 0.10 -0.20 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.62 1xmf h LEU 129 N -0.16 0.00 -0.58 0.59 3.38 -1.01 0.19 115.31 117.72 1xmf h LEU 129 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1xmf h LEU 129 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xmf h LEU 129 CO -0.24 0.29 -0.13 -0.78 0.09 0.00 0.00 178.44 177.66 1xmf h ASP 130 N 0.00 1.00 -0.26 -0.43 1.82 -0.79 -1.77 116.42 115.99 1xmf h ASP 130 Ca -0.00 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.27 1xmf h ASP 130 Cb 0.70 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1xmf h ASP 130 CO 0.04 1.13 0.04 1.23 -1.61 0.00 0.00 179.24 180.06 1xmf h GLY 131 N 0.93 0.46 0.18 -0.78 0.00 0.79 -2.69 103.07 101.97 1xmf h GLY 131 Ca 0.13 -0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.33 1xmf h GLY 131 CO 0.05 0.29 0.57 0.83 0.00 0.00 0.00 176.54 178.28 1xmf h GLU 132 N 0.24 0.73 -0.38 4.80 4.39 -0.45 0.12 114.58 124.02 1xmf h GLU 132 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1xmf h GLU 132 Cb 0.34 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1xmf h GLU 132 CO 0.01 0.48 0.23 -0.09 -1.16 0.00 0.00 179.01 178.48 1xmf h ARG 133 N 0.75 0.52 0.06 2.33 2.43 -1.01 -1.20 114.38 118.27 1xmf h ARG 133 Ca 0.54 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.56 1xmf h ARG 133 Cb 0.80 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1xmf h ARG 133 CO -0.37 0.39 -0.52 1.96 -1.51 0.00 0.00 179.97 179.92 1xmf h GLN 134 N 0.50 0.13 -0.44 0.20 4.20 -1.07 -3.12 115.11 115.52 1xmf h GLN 134 Ca 0.14 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xmf h GLN 134 Cb 0.01 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1xmf h GLN 134 CO -0.03 1.10 0.29 -0.07 -0.67 0.00 0.00 178.83 179.46 1xmf h LEU 135 N -0.71 0.51 -0.72 1.46 3.38 -0.89 -2.70 115.31 115.64 1xmf h LEU 135 Ca -0.11 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xmf h LEU 135 Cb 1.32 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1xmf h LEU 135 CO 0.04 0.37 0.44 1.23 0.09 0.00 0.00 178.44 180.62 1xmf h GLY 136 N 0.59 1.04 0.95 0.83 0.00 -1.35 -1.41 103.07 103.72 1xmf h GLY 136 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1xmf h GLY 136 CO -0.03 0.27 0.15 -0.84 0.00 0.00 0.00 176.54 176.09 1xmf h THR 137 N 0.86 1.03 -0.04 4.70 2.02 -1.42 -2.10 112.91 117.96 1xmf h THR 137 Ca 0.29 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 1xmf h THR 137 Cb 0.04 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xmf h THR 137 CO -0.12 0.06 0.02 -0.09 0.37 0.00 0.00 175.52 175.75 1xmf h ARG 138 N 0.32 0.05 -0.58 6.66 9.65 -1.25 -2.41 114.38 126.82 1xmf h ARG 138 Ca 0.10 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.06 1xmf h ARG 138 Cb -0.01 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.49 1xmf h ARG 138 CO -0.04 0.17 0.20 1.25 2.80 0.00 0.00 179.97 184.35 1xmf h LEU 139 N -0.08 0.19 -0.26 3.80 5.85 -1.10 -2.14 115.31 121.57 1xmf h LEU 139 Ca 0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xmf h LEU 139 Cb 0.14 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1xmf h LEU 139 CO -0.00 0.12 0.07 0.24 -0.34 0.00 0.00 178.44 178.53 1xmf h MET 140 N 0.38 0.41 -0.49 1.25 2.86 -1.33 -1.21 114.93 116.80 1xmf h MET 140 Ca 0.29 -0.10 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1xmf h MET 140 Cb 0.36 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.87 1xmf h MET 140 CO -0.31 0.50 -0.14 0.93 1.06 0.00 0.00 176.91 178.95 1xmf h GLU 141 N 0.25 -0.02 -0.35 1.72 5.08 -0.91 0.30 114.58 120.66 1xmf h GLU 141 Ca 0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1xmf h GLU 141 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xmf h GLU 141 CO -0.00 -0.01 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.85 1xmf h LEU 142 N -0.02 0.67 -0.51 1.33 3.38 -1.31 -3.25 115.31 115.61 1xmf h LEU 142 Ca 0.24 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1xmf h LEU 142 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1xmf h LEU 142 CO -0.52 0.87 -0.13 0.03 0.09 0.00 0.00 178.44 178.78 1xmf h ARG 143 N 0.45 0.98 -0.66 1.13 3.08 -0.49 -3.20 114.38 115.68 1xmf h ARG 143 Ca 0.09 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1xmf h ARG 143 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1xmf h ARG 143 CO 0.03 1.06 0.00 0.09 -1.07 0.00 0.00 179.97 180.08 1xmf n ASN 144 N -4.17 2.28 -4.53 7.04 3.02 1.00 -4.47 115.26 115.43 1xmf n ASN 144 Ca 0.01 -2.22 -0.41 0.00 -0.03 0.00 0.00 54.58 51.92 1xmf n ASN 144 Cb 0.41 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.99 4.56 -1.29 3.41 2.96 -1.21 -4.14 118.68 121.99 1xmf s LEU 145 Ca 0.19 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1xmf s LEU 145 Cb 0.13 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1xmf s LEU 145 CO 0.08 -0.43 1.05 0.59 -1.32 0.00 0.00 176.35 176.32 1xmf n ASN 146 N 5.49 -3.82 0.02 3.68 3.02 -1.26 -4.87 115.26 117.52 1xmf n ASN 146 Ca -0.08 -0.61 0.20 0.00 -0.03 0.00 0.00 54.58 54.06 1xmf n ASN 146 Cb 0.49 -4.95 0.70 0.00 -0.61 0.00 0.00 39.78 35.40 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 -2.23 0.00 -0.00 3.10 3.20 -1.78 -2.75 116.97 116.50 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 1.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1xmf h TYR 147 CO 0.47 0.00 -0.63 0.66 -1.64 0.00 0.00 178.16 177.02 1xmf n TYR 148 N -4.31 0.00 0.04 -3.82 4.02 -1.26 -4.65 117.16 107.19 1xmf n TYR 148 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.87 1xmf n TYR 148 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.85 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 0.54 -0.28 -2.67 7.72 3.32 -1.87 -3.40 116.42 119.79 1xmf h ASP 149 Ca 0.00 0.05 -0.54 0.00 0.02 0.00 0.00 57.03 56.55 1xmf h ASP 149 Cb 0.43 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1xmf h ASP 149 CO 0.00 -0.14 1.03 -0.89 -1.72 0.00 0.00 179.24 177.53 1xmf s THR 150 N -6.16 3.50 0.53 0.35 2.01 -1.26 -4.98 115.64 109.63 1xmf s THR 150 Ca -0.14 0.72 -0.19 0.00 0.31 0.00 0.00 61.69 62.39 1xmf s THR 150 Cb 0.08 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1xmf s THR 150 CO 0.67 -0.04 1.07 -2.16 -0.69 0.00 0.00 174.62 173.46 1xmf s PRO 151 N 3.54 3.54 0.29 4.92 0.04 -1.26 -4.76 135.00 141.30 1xmf s PRO 151 Ca 0.72 1.37 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1xmf s PRO 151 Cb -0.34 -2.05 0.70 0.00 0.04 0.00 0.00 34.50 32.85 1xmf s PRO 151 CO 0.29 -0.66 1.67 -0.07 0.04 0.00 0.00 177.00 178.28 1xmf h LEU 152 N 1.12 0.13 -0.61 -3.56 3.38 -1.93 -0.11 115.31 113.72 1xmf h LEU 152 Ca -0.49 0.18 0.11 0.00 0.09 0.00 0.00 57.88 57.77 1xmf h LEU 152 Cb 1.23 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 1xmf h LEU 152 CO 0.58 -0.09 0.14 -0.33 0.09 0.00 0.00 178.44 178.83 1xmf h GLU 153 N 0.28 0.27 0.22 1.13 3.07 -2.01 -0.58 114.58 116.96 1xmf h GLU 153 Ca 0.55 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 59.10 1xmf h GLU 153 Cb 1.08 -0.06 0.03 0.00 -0.84 0.00 0.00 28.75 28.96 1xmf h GLU 153 CO -0.60 0.18 -1.28 1.49 -1.40 0.00 0.00 179.01 177.40 1xmf h GLU 154 N 0.27 0.47 -0.93 2.33 4.81 -1.57 -3.30 114.58 116.67 1xmf h GLU 154 Ca 0.32 -0.80 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1xmf h GLU 154 Cb 0.48 0.30 -0.07 0.00 0.63 0.00 0.00 28.75 30.08 1xmf h GLU 154 CO -0.40 1.38 0.60 1.25 -0.73 0.00 0.00 179.01 181.10 1xmf h LEU 155 N -0.02 0.79 -0.84 1.64 5.85 -0.76 0.17 115.31 122.14 1xmf h LEU 155 Ca -0.22 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1xmf h LEU 155 Cb 2.01 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.87 1xmf h LEU 155 CO 0.24 0.42 0.54 0.03 -0.34 0.00 0.00 178.44 179.33 1xmf h ARG 156 N 0.85 1.03 -0.38 1.25 3.08 -1.20 0.18 114.38 119.18 1xmf h ARG 156 Ca 0.46 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.29 1xmf h ARG 156 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1xmf h ARG 156 CO -0.22 0.68 -0.38 0.87 -1.07 0.00 0.00 179.97 179.85 1xmf h LYS 157 N 1.06 0.92 -0.62 0.04 1.57 -0.87 -0.72 116.57 117.95 1xmf h LYS 157 Ca 0.34 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1xmf h LYS 157 Cb 0.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xmf h LYS 157 CO -0.12 1.14 0.28 1.96 -0.57 0.00 0.00 179.45 182.15 1xmf h GLN 158 N 0.74 0.91 -0.08 3.15 4.20 -0.25 -1.13 115.11 122.65 1xmf h GLN 158 Ca 0.06 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1xmf h GLN 158 Cb 0.97 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1xmf h GLN 158 CO 0.09 0.74 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.63 1xmf h ARG 159 N 0.86 0.13 -0.28 1.46 9.65 -0.92 -3.47 114.38 121.81 1xmf h ARG 159 Ca 0.21 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1xmf h ARG 159 Cb 0.15 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1xmf h ARG 159 CO -0.02 0.41 0.00 0.41 2.80 0.00 0.00 179.97 183.57 1xmf n GLY 160 N -0.60 0.75 3.89 2.80 0.00 -0.35 -5.06 105.19 106.62 1xmf n GLY 160 Ca -0.01 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.28 4.82 -0.44 1.61 0.11 -0.74 -5.03 120.40 118.45 1xmf s VAL 161 Ca 0.00 0.48 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 1xmf s VAL 161 Cb 0.00 -3.84 0.07 0.00 -1.53 0.00 0.00 36.38 31.08 1xmf s VAL 161 CO 0.00 -0.87 0.33 -0.60 -3.33 0.00 0.00 175.10 170.63 1xmf s ARG 162 N -4.69 2.82 -0.03 1.54 3.52 -1.26 -4.80 118.95 116.05 1xmf s ARG 162 Ca 0.50 -1.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1xmf s ARG 162 Cb -0.10 -3.96 -0.07 0.00 -1.56 0.00 0.00 34.95 29.25 1xmf s ARG 162 CO 0.45 -0.97 1.82 0.08 -0.81 0.00 0.00 175.30 175.87 1xmf s VAL 163 N 1.55 3.31 -0.19 7.11 1.01 -1.26 -4.87 120.40 127.06 1xmf s VAL 163 Ca 0.03 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1xmf s VAL 163 Cb -0.23 -3.25 -0.21 0.00 0.00 0.00 0.00 36.38 32.68 1xmf s VAL 163 CO 0.05 -0.05 0.09 0.52 0.00 0.00 0.00 175.10 175.71 1xmf n VAL 164 N 5.69 1.64 -3.62 2.92 0.31 -1.26 -5.02 118.33 118.99 1xmf n VAL 164 Ca 0.19 -0.55 -0.15 0.00 -0.01 0.00 0.00 64.34 63.82 1xmf n VAL 164 Cb 0.42 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.62 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 -0.60 0.01 3.52 2.46 -1.26 -5.17 115.29 111.72 1xmf s HIS 165 Ca -0.29 1.26 0.01 0.00 0.47 0.00 0.00 55.06 56.52 1xmf s HIS 165 Cb 0.08 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.80 1xmf s HIS 165 CO 0.67 -0.45 -0.04 -0.51 -2.47 0.00 0.00 174.74 171.94 1xmf s LEU 166 N -0.50 2.09 -0.06 8.88 1.43 -1.26 -5.15 118.68 124.10 1xmf s LEU 166 Ca -0.06 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1xmf s LEU 166 Cb -0.03 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 46.07 1xmf s LEU 166 CO 0.05 -0.05 0.16 -1.10 0.23 0.00 0.00 176.35 175.64 1xmf s GLN 167 N -0.58 0.15 -0.30 1.70 -0.21 -1.26 -5.13 119.66 114.04 1xmf s GLN 167 Ca -0.03 0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.59 1xmf s GLN 167 Cb -0.04 -0.02 0.19 0.00 1.00 0.00 0.00 33.01 34.13 1xmf s GLN 167 CO -0.00 -0.08 0.86 0.45 -2.12 0.00 0.00 175.29 174.40 1xmf s SER 168 N 0.56 -0.89 0.00 5.90 0.15 -1.26 -5.34 113.70 112.82 1xmf s SER 168 Ca -0.04 0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.09 1xmf s SER 168 Cb -0.05 1.61 1.64 0.00 -1.71 0.00 0.00 66.02 67.50 1xmf s SER 168 CO -0.03 -0.16 1.99 -0.81 1.20 0.00 0.00 173.24 175.42