#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlx s ILE 3 N 0.00 5.05 -0.26 1.96 1.01 -1.26 -4.94 121.20 122.76 3hlx s ILE 3 Ca 0.00 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.74 3hlx s ILE 3 Cb 0.00 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.41 3hlx s ILE 3 CO 0.00 0.17 -0.33 0.35 0.00 0.00 0.00 174.94 175.13 3hlx n THR 4 N 4.34 1.43 -3.96 2.92 -2.24 -1.26 -4.88 114.28 110.63 3hlx n THR 4 Ca -0.02 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3hlx n THR 4 Cb 0.50 -1.85 -0.10 0.00 -2.10 0.00 0.00 70.33 66.79 3hlx n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hlx s ASP 5 N -7.33 5.62 -0.14 3.42 1.01 -1.26 -4.85 116.67 113.14 3hlx s ASP 5 Ca -0.36 0.06 -0.40 0.00 0.71 0.00 0.00 52.55 52.55 3hlx s ASP 5 Cb 0.14 -1.97 -0.18 0.00 1.01 0.00 0.00 42.92 41.92 3hlx s ASP 5 CO 0.46 0.15 1.45 0.41 0.21 0.00 0.00 175.17 177.84 3hlx n THR 6 N 3.72 0.09 -2.43 -1.27 -1.04 -1.26 -4.92 114.28 107.18 3hlx n THR 6 Ca -0.16 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 3hlx n THR 6 Cb 0.52 -0.71 -0.02 0.00 -1.82 0.00 0.00 70.33 68.29 3hlx n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hlx s LEU 7 N 1.71 3.90 0.84 -4.42 1.43 -1.26 -4.97 118.68 115.91 3hlx s LEU 7 Ca 0.93 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 3hlx s LEU 7 Cb -1.15 -4.45 0.10 0.00 0.03 0.00 0.00 46.19 40.73 3hlx s LEU 7 CO 0.60 -0.86 1.16 -0.94 0.23 0.00 0.00 176.35 176.54 3hlx s SER 8 N -1.75 3.51 0.33 2.29 1.04 -1.26 -4.73 113.70 113.12 3hlx s SER 8 Ca 0.66 2.19 0.04 0.00 0.48 0.00 0.00 55.95 59.32 3hlx s SER 8 Cb -0.21 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 63.99 3hlx s SER 8 CO 0.25 -2.71 1.91 -0.65 0.98 0.00 0.00 173.24 173.02 3hlx h PRO 9 N -1.30 0.86 -0.34 4.02 0.11 -1.94 0.17 132.00 133.57 3hlx h PRO 9 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3hlx h PRO 9 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hlx h PRO 9 CO 0.45 0.57 -0.02 1.96 -0.21 0.00 0.00 178.00 180.75 3hlx h GLN 10 N 0.89 0.62 -0.26 1.05 7.50 -1.98 -1.31 115.11 121.61 3hlx h GLN 10 Ca 0.39 -0.21 -0.12 0.00 0.50 0.00 0.00 58.65 59.22 3hlx h GLN 10 Cb 0.35 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 3hlx h GLN 10 CO -0.16 0.75 -0.32 0.00 -1.50 0.00 0.00 178.83 177.60 3hlx h ALA 11 N 0.85 0.95 -0.50 3.87 0.00 -1.79 -1.97 119.26 120.66 3hlx h ALA 11 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3hlx h ALA 11 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hlx h ALA 11 CO 0.02 0.61 0.19 0.35 0.00 0.00 0.00 179.25 180.42 3hlx h PHE 12 N 0.47 0.77 -0.83 0.00 3.57 -0.56 -1.18 116.94 119.19 3hlx h PHE 12 Ca 0.06 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3hlx h PHE 12 Cb 0.79 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 3hlx h PHE 12 CO 0.03 0.65 0.49 1.49 -2.23 0.00 0.00 178.31 178.74 3hlx h GLU 13 N 0.67 0.84 -0.93 1.11 4.81 -1.07 -0.86 114.58 119.15 3hlx h GLU 13 Ca 0.17 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3hlx h GLU 13 Cb 0.21 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3hlx h GLU 13 CO -0.01 0.55 0.61 0.93 -0.73 0.00 0.00 179.01 180.37 3hlx h GLU 14 N 0.86 1.19 -0.61 1.92 5.08 -0.98 -0.44 114.58 121.60 3hlx h GLU 14 Ca 0.38 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3hlx h GLU 14 Cb 0.27 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hlx h GLU 14 CO -0.21 0.79 0.03 0.00 -1.00 0.00 0.00 179.01 178.62 3hlx h ALA 15 N 1.36 0.82 -0.15 3.43 0.00 -0.15 -2.00 119.26 122.57 3hlx h ALA 15 Ca 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hlx h ALA 15 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hlx h ALA 15 CO -0.09 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.77 3hlx h LEU 16 N 0.96 0.22 -1.91 0.00 3.38 -0.82 -2.97 115.31 114.17 3hlx h LEU 16 Ca 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hlx h LEU 16 Cb 0.52 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hlx h LEU 16 CO 0.02 0.35 -0.02 0.03 0.09 0.00 0.00 178.44 178.91 3hlx h ARG 17 N 0.07 0.03 0.00 1.13 3.08 -0.88 -2.33 114.38 115.48 3hlx h ARG 17 Ca 0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hlx h ARG 17 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3hlx h ARG 17 CO -0.00 0.05 -0.11 0.00 -1.07 0.00 0.00 179.97 178.85 3hlx h ALA 18 N 1.95 1.17 0.00 0.04 0.00 -1.20 -1.52 119.26 119.70 3hlx h ALA 18 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hlx h ALA 18 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hlx h ALA 18 CO 0.00 0.13 0.00 0.87 0.00 0.00 0.00 179.25 180.26 3hlx h LYS 19 N 0.00 0.00 0.00 0.00 1.79 -1.43 -2.56 116.57 114.36 3hlx h LYS 19 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hlx h LYS 19 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3hlx h LYS 19 CO 0.01 0.00 0.11 0.78 -1.08 0.00 0.00 179.45 179.28 3hlx h GLY 20 N 1.42 0.00 1.74 3.86 0.00 -1.43 -1.24 103.07 107.41 3hlx h GLY 20 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3hlx h GLY 20 CO 0.00 0.00 0.10 -0.55 0.00 0.00 0.00 176.54 176.09 3hlx h ASP 21 N 0.00 0.00 -0.57 0.19 5.19 -1.68 -1.88 116.42 117.66 3hlx h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hlx h ASP 21 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3hlx h ASP 21 CO 0.00 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.61 3hlx n PHE 22 N -4.03 0.75 -2.01 4.55 3.72 -0.47 -4.95 117.46 115.02 3hlx n PHE 22 Ca -0.00 -0.41 -0.37 0.00 -0.05 0.00 0.00 57.45 56.62 3hlx n PHE 22 Cb 0.21 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3hlx n PHE 22 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hlx s TYR 23 N -1.15 2.47 -1.49 1.38 5.04 -0.71 -4.90 117.35 117.99 3hlx s TYR 23 Ca 0.42 1.48 0.06 0.00 -2.44 0.00 0.00 57.07 56.59 3hlx s TYR 23 Cb 0.23 -3.54 0.30 0.00 0.35 0.00 0.00 41.96 39.29 3hlx s TYR 23 CO 0.30 -2.24 1.01 -2.39 -1.34 0.00 0.00 175.55 170.89 3hlx n HIS 24 N -1.20 0.00 0.30 4.97 1.44 -1.26 -1.55 115.22 117.92 3hlx n HIS 24 Ca 0.11 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 56.02 3hlx n HIS 24 Cb 0.48 -0.26 1.03 0.00 0.12 0.00 0.00 29.99 31.36 3hlx n HIS 24 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3hlx h ILE 25 N 0.00 0.00 -0.16 0.61 2.10 -1.94 -1.70 117.51 116.41 3hlx h ILE 25 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 3hlx h ILE 25 Cb 0.05 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 3hlx h ILE 25 CO 0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 3hlx n HIS 26 N -2.92 0.19 -2.75 2.19 8.25 -0.60 -4.53 115.22 115.06 3hlx n HIS 26 Ca -0.02 -0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 56.94 3hlx n HIS 26 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 3hlx n HIS 26 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hlx s HIS 27 N -1.81 3.89 0.50 4.41 5.04 -0.64 -4.93 115.29 121.75 3hlx s HIS 27 Ca 0.34 1.84 0.30 0.00 -1.54 0.00 0.00 55.06 56.01 3hlx s HIS 27 Cb 0.20 -3.01 1.40 0.00 0.04 0.00 0.00 32.58 31.21 3hlx s HIS 27 CO 0.30 0.33 1.81 -1.35 -2.34 0.00 0.00 174.74 173.49 3hlx h PRO 28 N 4.93 0.12 -0.49 2.88 0.11 -1.92 -1.41 132.00 136.22 3hlx h PRO 28 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3hlx h PRO 28 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hlx h PRO 28 CO 0.70 0.08 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.55 3hlx h TYR 29 N 0.12 1.04 -0.36 0.65 3.20 -1.92 -0.92 116.97 118.78 3hlx h TYR 29 Ca 0.54 -0.22 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 3hlx h TYR 29 Cb 1.91 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.92 3hlx h TYR 29 CO -0.00 1.00 -0.43 0.45 -1.64 0.00 0.00 178.16 177.54 3hlx h HIS 30 N 0.79 1.13 -0.84 -3.82 3.86 -1.57 -2.62 115.15 112.08 3hlx h HIS 30 Ca 0.13 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3hlx h HIS 30 Cb 0.65 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 3hlx h HIS 30 CO 0.05 1.19 0.53 0.82 0.86 0.00 0.00 177.93 181.37 3hlx h ILE 31 N 0.75 1.23 -0.57 2.45 2.04 -1.14 0.13 117.51 122.39 3hlx h ILE 31 Ca 0.05 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hlx h ILE 31 Cb 1.03 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3hlx h ILE 31 CO 0.10 0.23 0.25 0.00 0.00 0.00 0.00 178.15 178.74 3hlx h ALA 32 N 1.29 0.73 -0.43 1.87 0.00 -1.11 -0.63 119.26 120.98 3hlx h ALA 32 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hlx h ALA 32 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hlx h ALA 32 CO -0.06 0.31 0.27 0.52 0.00 0.00 0.00 179.25 180.29 3hlx h MET 33 N 0.77 0.58 -0.66 0.00 2.86 -1.10 -0.29 114.93 117.09 3hlx h MET 33 Ca 0.19 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3hlx h MET 33 Cb 0.15 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3hlx h MET 33 CO -0.02 0.42 0.26 1.25 1.06 0.00 0.00 176.91 179.88 3hlx h HIS 34 N 0.57 0.98 -0.01 -0.22 6.17 -0.61 -2.72 115.15 119.32 3hlx h HIS 34 Ca 0.16 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.17 3hlx h HIS 34 Cb -0.02 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 29.61 3hlx h HIS 34 CO -0.04 0.76 -0.07 0.09 0.71 0.00 0.00 177.93 179.38 3hlx n ASN 35 N -4.30 0.60 0.00 3.26 3.02 -0.28 -4.87 115.26 112.69 3hlx n ASN 35 Ca 0.06 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3hlx n ASN 35 Cb 0.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3hlx n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hlx n GLY 36 N 1.20 0.75 0.59 7.41 0.00 -1.03 -4.96 105.19 109.16 3hlx n GLY 36 Ca 0.17 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3hlx n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hlx n ASN 37 N 0.09 2.23 -4.78 1.61 5.03 -0.15 -4.94 115.26 114.35 3hlx n ASN 37 Ca 0.00 -1.61 -0.37 0.00 0.87 0.00 0.00 54.58 53.47 3hlx n ASN 37 Cb 0.00 0.37 -0.04 0.00 -1.02 0.00 0.00 39.78 39.09 3hlx n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hlx s ALA 38 N -2.33 3.13 0.66 5.41 0.00 -1.07 -4.95 121.76 122.61 3hlx s ALA 38 Ca 0.20 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 3hlx s ALA 38 Cb 0.18 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 3hlx s ALA 38 CO 0.50 -0.14 1.06 0.95 0.00 0.00 0.00 175.76 178.13 3hlx s THR 39 N -1.63 4.03 0.21 0.00 -4.23 -1.26 -4.91 115.64 107.85 3hlx s THR 39 Ca 0.56 0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 61.61 3hlx s THR 39 Cb -0.22 -3.65 0.15 0.00 1.34 0.00 0.00 72.50 70.13 3hlx s THR 39 CO 0.28 -0.85 1.83 -0.09 -0.54 0.00 0.00 174.62 175.25 3hlx h ARG 40 N -0.49 0.77 -0.77 3.99 2.43 -1.99 -1.16 114.38 117.16 3hlx h ARG 40 Ca -0.45 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3hlx h ARG 40 Cb 1.23 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 3hlx h ARG 40 CO 0.63 0.51 0.50 1.49 -1.51 0.00 0.00 179.97 181.59 3hlx h GLU 41 N 0.79 0.96 -0.62 0.20 4.81 -1.98 0.95 114.58 119.70 3hlx h GLU 41 Ca 0.30 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3hlx h GLU 41 Cb 0.12 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3hlx h GLU 41 CO -0.15 0.64 0.15 1.96 -0.73 0.00 0.00 179.01 180.88 3hlx h GLN 42 N 0.99 0.96 -0.14 1.92 4.20 -1.69 0.12 115.11 121.48 3hlx h GLN 42 Ca 0.29 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3hlx h GLN 42 Cb -0.05 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3hlx h GLN 42 CO -0.09 0.86 -0.35 0.82 -0.67 0.00 0.00 178.83 179.40 3hlx h ILE 43 N 0.92 1.37 -0.53 2.54 2.04 -0.86 -1.86 117.51 121.13 3hlx h ILE 43 Ca 0.20 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3hlx h ILE 43 Cb 0.33 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3hlx h ILE 43 CO -0.00 0.49 0.31 1.56 0.00 0.00 0.00 178.15 180.51 3hlx h GLN 44 N 0.08 0.73 -0.98 2.37 4.20 -0.73 -1.66 115.11 119.12 3hlx h GLN 44 Ca -0.01 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3hlx h GLN 44 Cb 0.96 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 3hlx h GLN 44 CO 0.08 0.54 0.63 0.78 -0.67 0.00 0.00 178.83 180.19 3hlx h GLY 45 N 0.71 1.39 0.97 3.46 0.00 -0.75 -1.05 103.07 107.81 3hlx h GLY 45 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hlx h GLY 45 CO -0.03 0.53 0.21 -0.25 0.00 0.00 0.00 176.54 176.99 3hlx h TRP 46 N 1.34 0.39 -0.71 5.60 7.01 -0.93 -1.28 115.95 127.36 3hlx h TRP 46 Ca 0.36 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.30 3hlx h TRP 46 Cb -0.13 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 3hlx h TRP 46 CO 0.00 0.24 0.17 0.28 -2.79 0.00 0.00 178.44 176.34 3hlx h VAL 47 N 0.42 1.26 -0.31 2.65 2.07 -0.99 0.17 116.25 121.52 3hlx h VAL 47 Ca 0.12 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 3hlx h VAL 47 Cb -0.03 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3hlx h VAL 47 CO -0.04 0.38 -0.33 0.00 0.02 0.00 0.00 177.57 177.60 3hlx h ALA 48 N 1.10 0.46 -0.20 1.67 0.00 -1.14 -2.66 119.26 118.48 3hlx h ALA 48 Ca 0.22 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3hlx h ALA 48 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hlx h ALA 48 CO 0.00 0.51 -0.65 -0.91 0.00 0.00 0.00 179.25 178.21 3hlx h ASN 49 N 0.54 0.86 0.71 0.00 2.35 -1.08 -3.13 115.58 115.82 3hlx h ASN 49 Ca 0.05 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3hlx h ASN 49 Cb 0.91 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hlx h ASN 49 CO 0.08 1.28 0.00 0.03 -1.65 0.00 0.00 177.43 177.17 3hlx h ARG 50 N 0.55 0.00 -0.11 0.81 2.47 -0.96 -1.53 114.38 115.60 3hlx h ARG 50 Ca -0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 3hlx h ARG 50 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 3hlx h ARG 50 CO 0.13 0.00 -0.05 0.35 0.56 0.00 0.00 179.97 180.96 3hlx h PHE 51 N 0.00 0.17 -0.36 3.04 3.57 -1.41 -1.13 116.94 120.81 3hlx h PHE 51 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3hlx h PHE 51 Cb 0.36 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3hlx h PHE 51 CO 0.00 0.23 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.17 3hlx h TYR 52 N 0.16 0.80 -0.12 0.41 3.20 -1.41 -1.17 116.97 118.84 3hlx h TYR 52 Ca 0.04 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 3hlx h TYR 52 Cb 0.21 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3hlx h TYR 52 CO 0.00 0.87 0.04 -0.92 -1.64 0.00 0.00 178.16 176.51 3hlx h TYR 53 N 0.62 0.20 -0.84 -3.82 3.20 -1.44 -2.62 116.97 112.27 3hlx h TYR 53 Ca 0.09 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.98 3hlx h TYR 53 Cb 0.71 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 3hlx h TYR 53 CO 0.03 0.31 0.54 1.96 -1.64 0.00 0.00 178.16 179.36 3hlx h GLN 54 N 0.02 1.00 0.00 1.82 1.08 -0.96 -1.46 115.11 116.62 3hlx h GLN 54 Ca 0.04 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3hlx h GLN 54 Cb 0.21 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3hlx h GLN 54 CO -0.00 0.66 0.00 1.79 -0.95 0.00 0.00 178.83 180.33 3hlx h THR 55 N 1.03 0.00 0.00 -0.54 1.35 -1.26 -3.08 112.91 110.41 3hlx h THR 55 Ca 0.34 -0.59 -0.19 0.00 -0.55 0.00 0.00 66.41 65.41 3hlx h THR 55 Cb 0.03 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 3hlx h THR 55 CO -0.12 0.00 -0.95 0.74 -0.25 0.00 0.00 175.52 174.93 3hlx h THR 56 N 0.00 1.39 -0.40 6.82 2.02 -0.89 -3.39 112.91 118.46 3hlx h THR 56 Ca 0.00 -3.02 0.08 0.00 0.77 0.00 0.00 66.41 64.24 3hlx h THR 56 Cb 0.68 2.68 -0.08 0.00 -1.74 0.00 0.00 68.15 69.69 3hlx h THR 56 CO 0.00 0.79 -0.13 0.40 0.37 0.00 0.00 175.52 176.96 3hlx h ILE 57 N 0.00 0.55 -0.03 3.11 1.08 -1.32 -0.40 117.51 120.49 3hlx h ILE 57 Ca -0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 3hlx h ILE 57 Cb 1.69 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 3hlx h ILE 57 CO 0.11 0.00 -0.12 1.55 -0.69 0.00 0.00 178.15 178.99 3hlx h PRO 58 N -0.04 0.05 -0.39 2.37 0.13 -1.76 -0.32 132.00 132.03 3hlx h PRO 58 Ca 0.19 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3hlx h PRO 58 Cb 0.33 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3hlx h PRO 58 CO -0.43 0.18 0.05 -0.07 -0.23 0.00 0.00 178.00 177.49 3hlx h LEU 59 N 0.05 0.64 -0.60 1.56 3.38 -1.35 -0.97 115.31 118.02 3hlx h LEU 59 Ca 0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3hlx h LEU 59 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hlx h LEU 59 CO 0.02 0.76 0.17 0.50 0.09 0.00 0.00 178.44 179.97 3hlx h LYS 60 N 0.51 0.94 -0.55 1.13 3.11 -0.85 -0.83 116.57 120.03 3hlx h LYS 60 Ca 0.12 -0.21 -0.09 0.00 -2.81 0.00 0.00 60.65 57.65 3hlx h LYS 60 Cb 0.40 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 3hlx h LYS 60 CO 0.01 0.85 -0.01 -0.44 -2.81 0.00 0.00 179.45 177.05 3hlx h ASP 61 N 0.85 0.96 -0.74 4.20 3.32 -1.01 -1.41 116.42 122.60 3hlx h ASP 61 Ca 0.19 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hlx h ASP 61 Cb 0.31 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3hlx h ASP 61 CO -0.00 1.04 0.45 0.00 -1.72 0.00 0.00 179.24 179.01 3hlx h ALA 62 N 0.95 1.38 -0.60 3.45 0.00 -1.06 -1.81 119.26 121.58 3hlx h ALA 62 Ca 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hlx h ALA 62 Cb 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3hlx h ALA 62 CO 0.03 0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.96 3hlx h ALA 63 N 1.46 1.13 0.20 0.00 0.00 -0.68 -0.77 119.26 120.59 3hlx h ALA 63 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hlx h ALA 63 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hlx h ALA 63 CO -0.05 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.46 3hlx h ILE 64 N 0.90 0.68 -0.97 0.00 2.04 -1.04 -2.83 117.51 116.28 3hlx h ILE 64 Ca 0.19 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.17 3hlx h ILE 64 Cb 0.32 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3hlx h ILE 64 CO -0.00 0.00 0.60 0.24 0.00 0.00 0.00 178.15 178.99 3hlx h MET 65 N -0.35 0.92 0.00 2.37 2.86 -0.99 -1.77 114.93 117.97 3hlx h MET 65 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3hlx h MET 65 Cb 0.31 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hlx h MET 65 CO -0.00 0.61 -0.11 0.00 1.06 0.00 0.00 176.91 178.46 3hlx h ALA 66 N 1.52 1.55 -0.45 6.32 0.00 -0.92 -2.11 119.26 125.18 3hlx h ALA 66 Ca 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hlx h ALA 66 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hlx h ALA 66 CO -0.26 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.22 3hlx n ASN 67 N -4.03 3.21 -4.05 0.00 3.02 -0.70 -4.89 115.26 107.82 3hlx n ASN 67 Ca -0.02 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 3hlx n ASN 67 Cb 0.20 -0.29 -0.14 0.00 -0.61 0.00 0.00 39.78 38.94 3hlx n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hlx n PRO 69 N 4.27 0.78 -3.06 0.00 -0.02 -1.26 -4.71 135.00 131.00 3hlx n PRO 69 Ca 0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.07 3hlx n PRO 69 Cb 0.41 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 3hlx n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hlx s ASP 70 N -1.80 6.24 0.37 2.55 2.15 -1.26 -4.96 116.67 119.96 3hlx s ASP 70 Ca 0.28 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.46 3hlx s ASP 70 Cb 0.13 -2.33 0.76 0.00 -0.30 0.00 0.00 42.92 41.17 3hlx s ASP 70 CO 0.21 -1.03 1.96 0.00 -0.17 0.00 0.00 175.17 176.14 3hlx h ALA 71 N 9.13 1.72 -0.25 3.66 0.00 -2.00 -2.00 119.26 129.52 3hlx h ALA 71 Ca -0.28 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hlx h ALA 71 Cb 1.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hlx h ALA 71 CO 1.02 0.16 0.07 1.96 0.00 0.00 0.00 179.25 182.47 3hlx h GLN 72 N 0.74 0.17 -0.75 0.00 1.08 -1.98 -0.52 115.11 113.84 3hlx h GLN 72 Ca 0.31 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 3hlx h GLN 72 Cb 0.28 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3hlx h GLN 72 CO -0.10 0.12 0.25 1.15 -0.95 0.00 0.00 178.83 179.29 3hlx h THR 73 N 0.18 1.26 -0.52 -0.54 2.02 -1.89 -2.83 112.91 110.59 3hlx h THR 73 Ca 0.11 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 3hlx h THR 73 Cb 0.09 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3hlx h THR 73 CO -0.12 0.36 0.14 0.03 0.37 0.00 0.00 175.52 176.30 3hlx h ARG 74 N 1.12 0.79 -0.46 6.66 3.08 -0.84 -0.29 114.38 124.45 3hlx h ARG 74 Ca 0.24 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hlx h ARG 74 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3hlx h ARG 74 CO -0.01 0.70 0.17 0.00 -1.07 0.00 0.00 179.97 179.75 3hlx h ARG 75 N 0.76 0.66 0.06 0.04 3.08 -0.86 -2.06 114.38 116.06 3hlx h ARG 75 Ca 0.17 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 3hlx h ARG 75 Cb 0.25 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hlx h ARG 75 CO -0.01 0.55 -0.41 0.87 -1.07 0.00 0.00 179.97 179.91 3hlx h LYS 76 N 0.65 0.17 -0.14 0.04 1.57 -1.33 -3.38 116.57 114.14 3hlx h LYS 76 Ca 0.16 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3hlx h LYS 76 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3hlx h LYS 76 CO -0.01 1.09 -0.11 2.35 -0.57 0.00 0.00 179.45 182.20 3hlx h TRP 77 N -0.61 0.23 0.00 -1.35 2.91 -0.86 -2.60 115.95 113.66 3hlx h TRP 77 Ca -0.07 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 3hlx h TRP 77 Cb 1.28 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.86 3hlx h TRP 77 CO 0.22 0.33 -0.03 -0.24 -1.03 0.00 0.00 178.44 177.69 3hlx h VAL 78 N 0.21 0.22 0.00 2.65 3.04 -1.56 -1.61 116.25 119.21 3hlx h VAL 78 Ca 0.05 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 3hlx h VAL 78 Cb 0.33 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3hlx h VAL 78 CO 0.02 0.03 -0.07 -0.61 -1.01 0.00 0.00 177.57 175.93 3hlx h GLN 79 N 0.00 0.00 -0.60 4.17 5.75 -1.69 -1.32 115.11 121.42 3hlx h GLN 79 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3hlx h GLN 79 Cb 0.20 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3hlx h GLN 79 CO 0.00 0.07 0.19 0.00 -2.65 0.00 0.00 178.83 176.44 3hlx h ARG 80 N 0.00 0.93 -0.34 1.69 3.08 -1.49 0.43 114.38 118.68 3hlx h ARG 80 Ca -0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3hlx h ARG 80 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3hlx h ARG 80 CO 0.01 0.83 0.05 0.82 -1.07 0.00 0.00 179.97 180.61 3hlx h ILE 81 N 0.85 1.24 -0.90 2.04 2.04 -1.41 -2.41 117.51 118.96 3hlx h ILE 81 Ca 0.19 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.25 3hlx h ILE 81 Cb 0.28 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3hlx h ILE 81 CO -0.01 0.28 0.58 -0.07 0.00 0.00 0.00 178.15 178.93 3hlx h LEU 82 N 0.39 0.95 -0.35 1.44 3.38 -1.15 0.14 115.31 120.11 3hlx h LEU 82 Ca 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hlx h LEU 82 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hlx h LEU 82 CO 0.01 0.64 0.22 0.44 0.09 0.00 0.00 178.44 179.84 3hlx h ASP 83 N 1.11 0.41 0.16 -0.43 3.32 -0.72 0.62 116.42 120.89 3hlx h ASP 83 Ca 0.37 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 57.12 3hlx h ASP 83 Cb 0.05 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.52 3hlx h ASP 83 CO -0.13 0.33 -1.12 0.45 -1.72 0.00 0.00 179.24 177.05 3hlx h HIS 84 N 0.46 0.82 0.00 4.55 3.86 -1.19 0.57 115.15 124.22 3hlx h HIS 84 Ca 0.13 -0.56 -0.10 0.00 -1.16 0.00 0.00 60.37 58.67 3hlx h HIS 84 Cb -0.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3hlx h HIS 84 CO -0.04 1.42 -0.51 -0.44 0.86 0.00 0.00 177.93 179.22 3hlx h ASP 85 N -0.01 0.00 -3.03 2.45 5.19 -0.79 -1.49 116.42 118.73 3hlx h ASP 85 Ca -0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 3hlx h ASP 85 Cb 1.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.36 3hlx h ASP 85 CO 0.21 0.48 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 3hlx n GLY 86 N 1.23 -0.80 0.21 2.75 0.00 0.21 -4.66 105.19 104.13 3hlx n GLY 86 Ca 0.02 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.76 3hlx n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hlx h SER 87 N 0.00 0.00 -2.42 1.61 0.02 -1.75 -3.47 113.55 107.54 3hlx h SER 87 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 3hlx h SER 87 Cb 0.00 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.23 3hlx h SER 87 CO 0.00 0.11 0.81 -1.38 -1.14 0.00 0.00 176.83 175.23 3hlx s HIS 88 N -3.26 -0.13 0.13 3.45 -3.43 -1.26 -5.10 115.29 105.68 3hlx s HIS 88 Ca 0.05 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 3hlx s HIS 88 Cb 0.06 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.68 3hlx s HIS 88 CO 0.66 -0.07 0.00 0.41 -2.00 0.00 0.00 174.74 173.75 3hlx n GLY 89 N 1.60 -1.45 0.02 -1.38 0.00 -1.26 -2.79 105.19 99.92 3hlx n GLY 89 Ca -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hlx n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hlx n GLU 90 N -2.63 0.00 -2.17 1.61 2.13 -1.26 -4.66 120.64 113.65 3hlx n GLU 90 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.42 3hlx n GLU 90 Cb 0.25 -0.99 -0.03 0.00 0.27 0.00 0.00 31.44 30.94 3hlx n GLU 90 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3hlx s ASP 91 N -1.29 6.85 0.00 4.31 2.15 -1.12 -4.41 116.67 123.16 3hlx s ASP 91 Ca 0.00 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.56 3hlx s ASP 91 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3hlx s ASP 91 CO 0.00 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 3hlx n GLY 92 N 1.22 3.07 0.20 2.66 0.00 -1.26 -2.77 105.19 108.31 3hlx n GLY 92 Ca 0.01 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 44.07 3hlx n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hlx h GLY 93 N 0.00 0.12 1.05 -0.02 0.00 -0.63 -1.75 103.07 101.84 3hlx h GLY 93 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3hlx h GLY 93 CO 0.00 0.09 0.11 -2.22 0.00 0.00 0.00 176.54 174.52 3hlx h ILE 94 N 0.10 1.26 -0.51 2.60 2.04 -1.55 -0.67 117.51 120.77 3hlx h ILE 94 Ca 0.01 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 3hlx h ILE 94 Cb 0.62 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3hlx h ILE 94 CO 0.05 0.37 -0.01 -0.33 0.00 0.00 0.00 178.15 178.23 3hlx h GLU 95 N 0.96 0.92 -0.95 2.37 4.39 -1.72 -1.79 114.58 118.76 3hlx h GLU 95 Ca 0.19 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3hlx h GLU 95 Cb 0.42 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 3hlx h GLU 95 CO 0.01 0.95 0.63 0.00 -1.16 0.00 0.00 179.01 179.44 3hlx h ALA 96 N 0.94 1.32 -0.64 3.43 0.00 -1.09 -1.56 119.26 121.65 3hlx h ALA 96 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hlx h ALA 96 Cb 0.54 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hlx h ALA 96 CO 0.03 0.63 0.07 2.35 0.00 0.00 0.00 179.25 182.33 3hlx h TRP 97 N 1.29 1.16 -0.82 0.00 2.91 -0.86 -1.50 115.95 118.13 3hlx h TRP 97 Ca 0.35 -0.17 0.06 0.00 1.13 0.00 0.00 58.89 60.25 3hlx h TRP 97 Cb -0.15 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 28.14 3hlx h TRP 97 CO 0.00 0.99 0.54 -0.07 -1.03 0.00 0.00 178.44 178.87 3hlx h LEU 98 N 1.01 0.82 -1.01 0.65 3.38 -0.91 -0.47 115.31 118.77 3hlx h LEU 98 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3hlx h LEU 98 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3hlx h LEU 98 CO 0.02 0.54 -0.37 0.03 0.09 0.00 0.00 178.44 178.75 3hlx h ARG 99 N 0.93 0.24 -0.40 1.13 3.08 -0.90 -1.14 114.38 117.31 3hlx h ARG 99 Ca 0.35 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3hlx h ARG 99 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3hlx h ARG 99 CO -0.12 0.58 0.09 1.25 -1.07 0.00 0.00 179.97 180.70 3hlx h LEU 100 N 0.20 0.62 -0.38 3.04 5.85 -0.65 0.29 115.31 124.29 3hlx h LEU 100 Ca 0.02 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.58 3hlx h LEU 100 Cb 0.75 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3hlx h LEU 100 CO 0.06 0.71 -0.18 1.23 -0.34 0.00 0.00 178.44 179.92 3hlx h GLY 101 N 0.52 0.11 1.26 3.75 0.00 -0.62 -1.74 103.07 106.35 3hlx h GLY 101 Ca 0.13 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3hlx h GLY 101 CO 0.00 -0.19 0.38 0.83 0.00 0.00 0.00 176.54 177.57 3hlx h GLU 102 N -0.11 0.98 0.00 4.80 5.08 -0.92 -0.07 114.58 124.34 3hlx h GLU 102 Ca 0.19 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3hlx h GLU 102 Cb 0.40 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hlx h GLU 102 CO -0.45 0.72 -0.12 0.00 -1.00 0.00 0.00 179.01 178.16 3hlx h ALA 103 N 1.44 1.12 -0.19 3.43 0.00 -0.10 -2.37 119.26 122.59 3hlx h ALA 103 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hlx h ALA 103 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hlx h ALA 103 CO -0.04 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.69 3hlx n VAL 104 N -3.40 0.24 0.00 0.00 0.24 -0.81 -1.57 118.33 113.02 3hlx n VAL 104 Ca -0.01 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3hlx n VAL 104 Cb 0.30 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 3hlx n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hlx n GLY 105 N 1.35 1.03 3.67 7.63 0.00 -0.89 -4.85 105.19 113.12 3hlx n GLY 105 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3hlx n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlx s LEU 106 N 0.00 3.44 0.73 0.99 1.43 -0.07 -5.00 118.68 120.20 3hlx s LEU 106 Ca 0.00 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 3hlx s LEU 106 Cb 0.00 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hlx s LEU 106 CO 0.00 0.26 1.11 -0.94 0.23 0.00 0.00 176.35 177.00 3hlx s SER 107 N -1.71 5.23 0.24 2.29 1.04 -1.26 -2.74 113.70 116.78 3hlx s SER 107 Ca 0.21 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.67 3hlx s SER 107 Cb -0.11 -1.85 0.31 0.00 0.10 0.00 0.00 66.02 64.47 3hlx s SER 107 CO 0.12 -1.48 1.85 0.03 0.98 0.00 0.00 173.24 174.75 3hlx h ARG 108 N -0.75 0.94 -0.22 4.02 3.08 -1.95 -2.04 114.38 117.46 3hlx h ARG 108 Ca -0.45 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.50 3hlx h ARG 108 Cb 1.27 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3hlx h ARG 108 CO 0.64 0.62 -0.05 0.22 -1.07 0.00 0.00 179.97 180.33 3hlx h ASP 109 N 0.97 0.31 -0.99 7.04 3.58 -1.98 0.51 116.42 125.87 3hlx h ASP 109 Ca 0.36 -0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.85 3hlx h ASP 109 Cb 0.13 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 3hlx h ASP 109 CO -0.16 0.41 0.63 0.44 -2.88 0.00 0.00 179.24 177.68 3hlx h ASP 110 N 0.33 0.96 0.05 2.28 3.32 -1.73 -1.16 116.42 120.46 3hlx h ASP 110 Ca 0.07 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 3hlx h ASP 110 Cb 0.30 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hlx h ASP 110 CO 0.01 0.57 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.43 3hlx h LEU 111 N 1.07 0.16 -1.27 1.55 4.07 -1.35 -3.36 115.31 116.17 3hlx h LEU 111 Ca 0.45 -0.88 -0.06 0.00 0.08 0.00 0.00 57.88 57.48 3hlx h LEU 111 Cb 0.32 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3hlx h LEU 111 CO -0.21 1.26 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.25 3hlx h LEU 112 N -0.76 0.36 -1.92 1.67 3.38 -0.85 -1.82 115.31 115.38 3hlx h LEU 112 Ca -0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hlx h LEU 112 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hlx h LEU 112 CO 0.00 0.50 0.00 0.77 0.09 0.00 0.00 178.44 179.80 3hlx h SER 113 N 0.36 0.00 -4.58 -0.43 4.64 -1.38 -3.46 113.55 108.70 3hlx h SER 113 Ca 0.07 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.11 3hlx h SER 113 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3hlx h SER 113 CO 0.02 0.00 -0.39 -0.62 -0.87 0.00 0.00 176.83 174.97 3hlx n GLU 114 N -3.05 -2.80 0.20 4.77 1.02 -0.69 -4.85 120.64 115.24 3hlx n GLU 114 Ca -0.01 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 3hlx n GLU 114 Cb 0.23 -5.14 0.22 0.00 -0.02 0.00 0.00 31.44 26.73 3hlx n GLU 114 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3hlx h ARG 115 N -0.41 0.00 -0.01 3.49 0.11 -1.85 -3.27 114.38 112.44 3hlx h ARG 115 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3hlx h ARG 115 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3hlx h ARG 115 CO 0.39 0.00 -0.17 0.72 0.10 0.00 0.00 179.97 181.01 3hlx n HIS 116 N -2.96 0.00 -2.32 4.08 8.25 -1.26 -4.89 115.22 116.12 3hlx n HIS 116 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 3hlx n HIS 116 Cb 0.51 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3hlx n HIS 116 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hlx s VAL 117 N -2.33 4.02 0.46 1.59 1.01 -1.24 -4.78 120.40 119.13 3hlx s VAL 117 Ca 0.29 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 3hlx s VAL 117 Cb 0.20 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 3hlx s VAL 117 CO 0.46 -0.36 1.13 -0.76 0.00 0.00 0.00 175.10 175.56 3hlx s LEU 118 N 4.48 3.99 0.31 3.92 1.43 -1.26 -4.86 118.68 126.69 3hlx s LEU 118 Ca 0.61 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.94 3hlx s LEU 118 Cb -0.20 -4.30 0.57 0.00 0.03 0.00 0.00 46.19 42.29 3hlx s LEU 118 CO 0.24 -0.87 1.91 1.55 0.23 0.00 0.00 176.35 179.42 3hlx h PRO 119 N 1.99 0.95 -0.30 1.29 0.13 -1.93 -1.09 132.00 133.04 3hlx h PRO 119 Ca -0.49 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 3hlx h PRO 119 Cb 1.24 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3hlx h PRO 119 CO 0.60 0.63 -0.02 0.78 -0.23 0.00 0.00 178.00 179.76 3hlx h GLY 120 N 0.97 0.49 0.68 1.56 0.00 -1.95 0.25 103.07 105.07 3hlx h GLY 120 Ca 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3hlx h GLY 120 CO -0.15 0.27 -0.04 -2.08 0.00 0.00 0.00 176.54 174.54 3hlx h VAL 121 N 0.44 1.32 -0.34 4.60 2.07 -1.60 -2.73 116.25 120.00 3hlx h VAL 121 Ca 0.09 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.63 3hlx h VAL 121 Cb 0.32 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 3hlx h VAL 121 CO 0.01 0.30 -0.17 -0.09 0.02 0.00 0.00 177.57 177.64 3hlx h ARG 122 N -0.18 -0.12 -0.32 1.57 2.43 -0.97 -0.85 114.38 115.94 3hlx h ARG 122 Ca 0.02 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hlx h ARG 122 Cb 0.49 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hlx h ARG 122 CO 0.01 -0.08 -0.16 0.74 -1.51 0.00 0.00 179.97 178.97 3hlx h PHE 123 N -0.12 0.63 -0.17 2.20 0.04 -1.00 0.39 116.94 118.92 3hlx h PHE 123 Ca 0.17 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 3hlx h PHE 123 Cb 0.38 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3hlx h PHE 123 CO -0.39 0.71 -0.01 0.00 -0.60 0.00 0.00 178.31 178.03 3hlx h ALA 124 N 1.30 0.23 -0.50 2.45 0.00 -1.15 -1.93 119.26 119.66 3hlx h ALA 124 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hlx h ALA 124 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hlx h ALA 124 CO 0.04 -0.06 -0.16 0.28 0.00 0.00 0.00 179.25 179.35 3hlx h VAL 125 N 0.04 1.27 0.00 0.00 2.07 -1.02 -2.57 116.25 116.04 3hlx h VAL 125 Ca 0.05 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3hlx h VAL 125 Cb 0.40 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3hlx h VAL 125 CO 0.01 0.46 -0.16 0.44 0.02 0.00 0.00 177.57 178.34 3hlx h ASP 126 N 0.85 0.00 -0.70 0.57 3.32 -0.92 -1.54 116.42 118.00 3hlx h ASP 126 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3hlx h ASP 126 Cb 0.73 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3hlx h ASP 126 CO 0.06 0.16 0.40 0.00 -1.72 0.00 0.00 179.24 178.14 3hlx h ALA 127 N 1.84 1.36 0.06 3.45 0.00 -0.92 -0.38 119.26 124.68 3hlx h ALA 127 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hlx h ALA 127 Cb 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hlx h ALA 127 CO 0.02 0.53 -0.03 -0.92 0.00 0.00 0.00 179.25 178.85 3hlx h TYR 128 N 0.99 -0.07 -0.52 0.00 3.20 -1.20 -1.84 116.97 117.53 3hlx h TYR 128 Ca 0.25 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hlx h TYR 128 Cb 0.01 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3hlx h TYR 128 CO 0.01 0.00 0.32 1.25 -1.64 0.00 0.00 178.16 178.09 3hlx h LEU 129 N -0.13 0.62 -0.66 2.82 5.85 -1.31 -1.66 115.31 120.83 3hlx h LEU 129 Ca -0.01 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3hlx h LEU 129 Cb 0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hlx h LEU 129 CO 0.01 0.49 0.10 0.78 -0.34 0.00 0.00 178.44 179.48 3hlx h ASN 130 N 0.69 1.06 -0.43 1.25 2.35 -1.03 -0.58 115.58 118.89 3hlx h ASN 130 Ca 0.19 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3hlx h ASN 130 Cb -0.02 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 3hlx h ASN 130 CO -0.04 1.06 0.27 0.15 -1.65 0.00 0.00 177.43 177.22 3hlx h PHE 131 N 1.03 0.50 -0.14 1.19 3.57 -1.13 -2.40 116.94 119.56 3hlx h PHE 131 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3hlx h PHE 131 Cb 0.45 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3hlx h PHE 131 CO 0.03 0.30 -0.01 0.00 -2.23 0.00 0.00 178.31 176.41 3hlx h ALA 132 N 1.18 1.73 -0.45 2.41 0.00 -0.84 0.30 119.26 123.59 3hlx h ALA 132 Ca 0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hlx h ALA 132 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hlx h ALA 132 CO -0.06 0.21 -0.24 -0.09 0.00 0.00 0.00 179.25 179.06 3hlx h ARG 133 N 0.20 0.94 0.00 0.00 2.43 -0.87 -3.38 114.38 113.70 3hlx h ARG 133 Ca 0.05 -0.41 -0.34 0.00 -0.81 0.00 0.00 59.98 58.46 3hlx h ARG 133 Cb 0.15 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 3hlx h ARG 133 CO 0.00 1.08 -2.29 0.54 -1.51 0.00 0.00 179.97 177.79 3hlx n ARG 134 N -4.10 0.79 -1.47 0.20 1.74 -0.92 -5.01 116.66 107.89 3hlx n ARG 134 Ca -0.00 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.84 3hlx n ARG 134 Cb 0.47 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.51 3hlx n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hlx s ALA 135 N -2.45 2.44 0.66 7.54 0.00 0.06 -5.01 121.76 125.00 3hlx s ALA 135 Ca -0.21 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 3hlx s ALA 135 Cb 0.07 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3hlx s ALA 135 CO 0.63 -1.50 1.16 0.00 0.00 0.00 0.00 175.76 176.05 3hlx h TRP 137 N 0.27 0.56 -0.34 0.00 5.08 -1.90 -1.68 115.95 117.95 3hlx h TRP 137 Ca -0.49 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.42 3hlx h TRP 137 Cb 1.34 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 27.31 3hlx h TRP 137 CO 0.40 0.45 0.08 1.96 -1.28 0.00 0.00 178.44 180.06 3hlx h GLN 138 N 0.56 0.54 -0.39 0.12 7.50 -1.94 0.13 115.11 121.63 3hlx h GLN 138 Ca 0.14 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.11 3hlx h GLN 138 Cb 0.13 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 3hlx h GLN 138 CO -0.01 0.60 0.06 0.93 -1.50 0.00 0.00 178.83 178.90 3hlx h GLU 139 N 0.39 0.66 -0.50 1.46 5.08 -1.83 -1.91 114.58 117.93 3hlx h GLU 139 Ca 0.11 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3hlx h GLU 139 Cb 0.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3hlx h GLU 139 CO 0.00 0.72 0.21 0.00 -1.00 0.00 0.00 179.01 178.94 3hlx h ALA 140 N 0.92 0.65 -0.50 3.43 0.00 -1.13 -2.45 119.26 120.17 3hlx h ALA 140 Ca 0.12 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hlx h ALA 140 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hlx h ALA 140 CO 0.01 0.25 0.30 0.00 0.00 0.00 0.00 179.25 179.81 3hlx h ALA 141 N 1.05 0.64 0.00 0.00 0.00 -0.68 -2.92 119.26 117.36 3hlx h ALA 141 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hlx h ALA 141 Cb 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hlx h ALA 141 CO -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.14 3hlx n SER 143 N -3.33 0.02 0.12 0.00 3.41 -0.94 -1.60 113.62 111.30 3hlx n SER 143 Ca -0.01 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 3hlx n SER 143 Cb 0.29 -0.51 0.47 0.00 -0.26 0.00 0.00 64.21 64.21 3hlx n SER 143 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hlx n SER 144 N -1.52 0.55 0.00 4.04 3.41 -1.03 -4.21 113.62 114.86 3hlx n SER 144 Ca 0.01 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 3hlx n SER 144 Cb 0.07 -0.77 0.51 0.00 -0.26 0.00 0.00 64.21 63.75 3hlx n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hlx n LEU 145 N -2.14 0.00 0.30 1.04 4.77 -0.63 -1.26 117.00 119.09 3hlx n LEU 145 Ca 0.01 0.02 0.20 0.00 -0.03 0.00 0.00 56.01 56.22 3hlx n LEU 145 Cb 0.17 -0.02 1.07 0.00 -2.33 0.00 0.00 43.42 42.31 3hlx n LEU 145 CO 0.16 -0.01 1.11 0.71 -1.33 0.00 0.00 177.39 178.03 3hlx h THR 146 N 0.00 0.00 -0.10 -5.08 1.35 -1.85 -1.04 112.91 106.18 3hlx h THR 146 Ca 0.00 -0.04 0.03 0.00 -0.55 0.00 0.00 66.41 65.85 3hlx h THR 146 Cb 0.01 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3hlx h THR 146 CO 0.00 0.00 0.25 -0.33 -0.25 0.00 0.00 175.52 175.19 3hlx h GLU 147 N 0.00 0.00 -0.84 4.72 5.08 -1.53 -1.01 114.58 120.99 3hlx h GLU 147 Ca 0.00 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3hlx h GLU 147 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3hlx h GLU 147 CO 0.00 0.00 0.59 -0.07 -1.00 0.00 0.00 179.01 178.53 3hlx h LEU 148 N 0.00 0.15 -1.06 1.33 3.38 -1.44 -2.80 115.31 114.87 3hlx h LEU 148 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hlx h LEU 148 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hlx h LEU 148 CO -0.00 0.06 -0.27 0.49 0.09 0.00 0.00 178.44 178.81 3hlx n PHE 149 N -4.38 0.00 0.07 1.13 3.72 -0.39 -4.63 117.46 112.98 3hlx n PHE 149 Ca 0.17 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.36 3hlx n PHE 149 Cb 0.81 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.23 3hlx n PHE 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hlx h ALA 150 N 2.98 0.05 -0.95 4.37 0.00 -1.51 -3.22 119.26 120.97 3hlx h ALA 150 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 54.91 54.30 3hlx h ALA 150 Cb 0.59 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3hlx h ALA 150 CO 0.00 0.66 0.61 -1.35 0.00 0.00 0.00 179.25 179.17 3hlx h PRO 151 N 0.29 0.87 -0.82 0.00 0.11 -1.82 -0.46 132.00 130.17 3hlx h PRO 151 Ca -0.16 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3hlx h PRO 151 Cb 1.79 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.66 3hlx h PRO 151 CO 0.22 0.57 0.43 0.37 -0.21 0.00 0.00 178.00 179.38 3hlx h GLN 152 N 0.89 1.14 -0.11 1.05 4.15 -1.89 -0.85 115.11 119.50 3hlx h GLN 152 Ca 0.47 -0.14 -0.24 0.00 0.77 0.00 0.00 58.65 59.51 3hlx h GLN 152 Cb 0.54 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 28.02 3hlx h GLN 152 CO -0.23 0.85 -0.86 0.97 -1.93 0.00 0.00 178.83 177.62 3hlx h ILE 153 N 1.14 1.27 -0.42 2.39 2.10 -1.19 -1.17 117.51 121.63 3hlx h ILE 153 Ca 0.29 -2.05 0.05 0.00 1.08 0.00 0.00 64.86 64.22 3hlx h ILE 153 Cb 0.05 2.09 -0.04 0.00 -1.09 0.00 0.00 36.82 37.83 3hlx h ILE 153 CO -0.04 0.65 0.17 0.45 -1.08 0.00 0.00 178.15 178.30 3hlx h HIS 154 N 0.50 0.31 -0.67 2.19 3.86 -1.05 -2.33 115.15 117.96 3hlx h HIS 154 Ca -0.08 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3hlx h HIS 154 Cb 1.50 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.86 3hlx h HIS 154 CO 0.09 0.14 0.22 0.37 0.86 0.00 0.00 177.93 179.61 3hlx h GLN 155 N 0.36 1.01 -0.91 2.45 5.75 -1.13 -1.82 115.11 120.82 3hlx h GLN 155 Ca 0.19 -0.19 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 3hlx h GLN 155 Cb 0.15 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.48 3hlx h GLN 155 CO -0.17 0.85 0.58 0.66 -2.65 0.00 0.00 178.83 178.10 3hlx h SER 156 N 0.98 0.84 -0.08 -0.69 4.64 -0.67 -0.56 113.55 118.01 3hlx h SER 156 Ca 0.22 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.43 3hlx h SER 156 Cb 0.25 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hlx h SER 156 CO -0.01 0.50 -0.46 0.03 -0.87 0.00 0.00 176.83 176.02 3hlx h ARG 157 N 0.93 0.44 -0.41 4.77 3.08 -1.18 -1.87 114.38 120.14 3hlx h ARG 157 Ca 0.42 -0.38 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3hlx h ARG 157 Cb 0.37 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hlx h ARG 157 CO -0.18 1.02 0.28 -0.07 -1.07 0.00 0.00 179.97 179.94 3hlx h LEU 158 N -0.01 0.32 0.15 3.04 3.38 -0.97 -1.17 115.31 120.05 3hlx h LEU 158 Ca -0.04 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 3hlx h LEU 158 Cb 1.12 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.82 3hlx h LEU 158 CO 0.09 0.22 -1.18 0.44 0.09 0.00 0.00 178.44 178.10 3hlx h ASP 159 N 0.37 0.78 0.08 -0.43 3.32 -0.95 -3.41 116.42 116.17 3hlx h ASP 159 Ca 0.17 -0.87 -0.37 0.00 0.02 0.00 0.00 57.03 55.98 3hlx h ASP 159 Cb 0.23 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3hlx h ASP 159 CO -0.04 1.57 -2.26 -1.54 -1.72 0.00 0.00 179.24 175.25 3hlx n SER 160 N -3.87 1.72 -0.20 6.45 3.41 -0.72 -4.61 113.62 115.80 3hlx n SER 160 Ca -0.14 0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 3hlx n SER 160 Cb 0.97 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3hlx n SER 160 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3hlx h TRP 161 N 0.02 1.10 -0.97 7.33 4.06 -1.44 -2.77 115.95 123.29 3hlx h TRP 161 Ca -0.51 -0.19 0.10 0.00 2.06 0.00 0.00 58.89 60.35 3hlx h TRP 161 Cb 1.99 -0.29 -0.07 0.00 -1.00 0.00 0.00 29.16 29.79 3hlx h TRP 161 CO 0.04 0.99 0.62 -1.35 -3.56 0.00 0.00 178.44 175.18 3hlx h PRO 162 N 0.90 0.98 0.00 0.49 0.11 -1.80 0.20 132.00 132.89 3hlx h PRO 162 Ca 0.16 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 3hlx h PRO 162 Cb 0.54 -0.22 0.02 0.00 0.11 0.00 0.00 31.00 31.45 3hlx h PRO 162 CO 0.03 0.65 -0.85 1.96 -0.21 0.00 0.00 178.00 179.58 3hlx h GLN 163 N 1.01 0.57 0.02 1.05 4.20 -1.82 -3.20 115.11 116.95 3hlx h GLN 163 Ca 0.45 -0.62 -0.20 0.00 0.06 0.00 0.00 58.65 58.34 3hlx h GLN 163 Cb 0.38 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3hlx h GLN 163 CO -0.21 1.23 -0.93 0.45 -0.67 0.00 0.00 178.83 178.71 3hlx h HIS 164 N 0.17 0.24 -2.10 2.96 3.86 -1.17 -3.39 115.15 115.72 3hlx h HIS 164 Ca -0.11 -0.14 -0.57 0.00 -1.16 0.00 0.00 60.37 58.39 3hlx h HIS 164 Cb 1.53 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 29.58 3hlx h HIS 164 CO 0.12 0.99 -0.94 0.66 0.86 0.00 0.00 177.93 179.63 3hlx n TYR 165 N -3.59 0.91 0.31 2.45 4.01 0.67 -4.95 117.16 116.97 3hlx n TYR 165 Ca -0.03 -3.75 0.11 0.00 -0.16 0.00 0.00 57.90 54.07 3hlx n TYR 165 Cb 0.84 -0.39 0.51 0.00 -0.31 0.00 0.00 39.34 39.99 3hlx n TYR 165 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hlx n PRO 166 N 1.31 0.17 0.06 -0.72 -0.04 -1.21 -1.79 135.00 132.78 3hlx n PRO 166 Ca 0.24 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.30 3hlx n PRO 166 Cb 0.49 -1.88 0.45 0.00 -0.04 0.00 0.00 33.50 32.51 3hlx n PRO 166 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hlx n TRP 167 N -2.20 0.46 -2.48 0.54 4.27 -1.26 -4.71 117.44 112.05 3hlx n TRP 167 Ca 0.01 0.16 -0.43 0.00 -3.89 0.00 0.00 57.50 53.35 3hlx n TRP 167 Cb 0.16 -0.76 -0.02 0.00 -1.36 0.00 0.00 31.31 29.33 3hlx n TRP 167 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3hlx s ILE 168 N -3.12 4.36 0.46 -1.67 1.01 -0.74 -4.85 121.20 116.64 3hlx s ILE 168 Ca 0.08 1.66 -0.23 0.00 0.00 0.00 0.00 60.65 62.16 3hlx s ILE 168 Cb 0.12 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 3hlx s ILE 168 CO 0.42 -0.09 1.19 -0.54 0.00 0.00 0.00 174.94 175.93 3hlx s LYS 169 N 2.91 3.74 0.20 2.79 -0.14 -0.61 -4.93 119.74 123.70 3hlx s LYS 169 Ca 0.53 1.84 -0.16 0.00 -1.36 0.00 0.00 55.97 56.82 3hlx s LYS 169 Cb -0.22 -2.44 0.18 0.00 -1.68 0.00 0.00 37.83 33.67 3hlx s LYS 169 CO 0.16 -0.59 1.62 0.93 -0.76 0.00 0.00 175.35 176.71 3hlx h GLU 170 N 2.08 -0.07 0.00 1.68 4.39 -1.93 -1.58 114.58 119.15 3hlx h GLU 170 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3hlx h GLU 170 Cb 1.25 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3hlx h GLU 170 CO 0.60 -0.04 0.16 1.49 -1.16 0.00 0.00 179.01 180.06 3hlx h GLU 171 N -0.07 0.00 -0.49 2.33 4.57 -1.94 -0.26 114.58 118.72 3hlx h GLU 171 Ca 0.26 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.58 3hlx h GLU 171 Cb 0.47 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3hlx h GLU 171 CO -0.61 0.00 0.36 0.78 -1.18 0.00 0.00 179.01 178.36 3hlx h GLY 172 N 0.00 0.00 0.14 1.92 0.00 -1.50 -2.82 103.07 100.81 3hlx h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hlx h GLY 172 CO 0.00 0.00 -0.03 -1.72 0.00 0.00 0.00 176.54 174.79 3hlx n TYR 173 N -4.33 0.00 -0.28 5.60 4.01 -0.11 -4.16 117.16 117.89 3hlx n TYR 173 Ca 0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 3hlx n TYR 173 Cb 0.58 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.64 3hlx n TYR 173 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3hlx h PHE 174 N 1.43 1.14 -0.01 -0.72 3.57 -1.70 -2.50 116.94 118.16 3hlx h PHE 174 Ca 0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3hlx h PHE 174 Cb 0.34 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hlx h PHE 174 CO 0.00 0.85 0.00 0.35 -2.23 0.00 0.00 178.31 177.28 3hlx h PHE 175 N 1.10 0.01 -0.64 0.41 3.57 -1.83 -0.97 116.94 118.59 3hlx h PHE 175 Ca 0.26 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3hlx h PHE 175 Cb 0.16 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 3hlx h PHE 175 CO 0.01 0.24 0.37 0.74 -2.23 0.00 0.00 178.31 177.45 3hlx h PHE 176 N -0.22 0.69 -0.57 0.41 0.04 -1.81 -1.85 116.94 113.64 3hlx h PHE 176 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3hlx h PHE 176 Cb 0.24 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3hlx h PHE 176 CO 0.01 0.36 0.26 -0.09 -0.60 0.00 0.00 178.31 178.24 3hlx h ARG 177 N 0.71 0.82 -0.49 1.51 2.43 -1.22 -2.85 114.38 115.29 3hlx h ARG 177 Ca 0.28 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3hlx h ARG 177 Cb 0.11 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3hlx h ARG 177 CO -0.15 0.68 0.33 0.77 -1.51 0.00 0.00 179.97 180.09 3hlx h SER 178 N 0.77 0.49 1.20 -3.80 0.02 -0.60 -2.39 113.55 109.24 3hlx h SER 178 Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3hlx h SER 178 Cb 0.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hlx h SER 178 CO -0.02 0.34 0.00 0.54 -1.14 0.00 0.00 176.83 176.55 3hlx n ARG 179 N -4.47 0.25 -0.28 3.45 5.12 -0.75 -2.39 116.66 117.58 3hlx n ARG 179 Ca 0.05 0.31 -0.02 0.00 -1.93 0.00 0.00 57.85 56.26 3hlx n ARG 179 Cb 0.13 -1.85 0.16 0.00 -1.16 0.00 0.00 32.46 29.74 3hlx n ARG 179 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3hlx h LEU 180 N 0.00 1.00 0.02 0.55 3.38 -1.37 -0.94 115.31 117.95 3hlx h LEU 180 Ca 0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hlx h LEU 180 Cb 0.60 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hlx h LEU 180 CO 0.00 0.78 -0.24 -1.28 0.09 0.00 0.00 178.44 177.79 3hlx h SER 181 N 1.15 0.06 -0.58 -0.43 0.87 -1.69 -3.34 113.55 109.57 3hlx h SER 181 Ca 0.30 -0.94 -0.06 0.00 -1.23 0.00 0.00 61.79 59.85 3hlx h SER 181 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3hlx h SER 181 CO -0.05 1.10 0.12 1.56 -0.53 0.00 0.00 176.83 179.03 3hlx h GLN 182 N -0.92 0.95 -0.28 2.24 4.20 -1.34 -1.98 115.11 117.98 3hlx h GLN 182 Ca -0.06 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 3hlx h GLN 182 Cb 1.11 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3hlx h GLN 182 CO -0.00 0.89 -0.12 0.00 -0.67 0.00 0.00 178.83 178.93 3hlx h ALA 183 N 1.02 1.27 -0.30 3.87 0.00 -1.37 -0.84 119.26 122.90 3hlx h ALA 183 Ca 0.18 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3hlx h ALA 183 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hlx h ALA 183 CO 0.01 0.48 -0.19 -0.91 0.00 0.00 0.00 179.25 178.64 3hlx h ASN 184 N 0.44 0.69 -0.40 0.00 2.35 -1.59 -1.35 115.58 115.73 3hlx h ASN 184 Ca 0.08 -0.43 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 3hlx h ASN 184 Cb 0.48 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3hlx h ASN 184 CO 0.03 0.97 0.08 0.03 -1.65 0.00 0.00 177.43 176.89 3hlx h ARG 185 N 0.41 0.73 0.17 0.81 3.08 -1.15 -2.20 114.38 116.23 3hlx h ARG 185 Ca 0.06 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hlx h ARG 185 Cb 0.74 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hlx h ARG 185 CO 0.05 0.69 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.12 3hlx h ASP 186 N 0.70 -0.19 0.44 7.04 5.19 -1.05 -2.96 116.42 125.60 3hlx h ASP 186 Ca 0.15 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3hlx h ASP 186 Cb 0.32 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 3hlx h ASP 186 CO 0.00 -0.01 -0.12 -0.37 -3.12 0.00 0.00 179.24 175.63 3hlx h VAL 187 N -0.38 0.50 -0.62 -1.35 -1.51 -1.13 -1.59 116.25 110.18 3hlx h VAL 187 Ca -0.02 -0.56 0.09 0.00 -1.23 0.00 0.00 66.70 64.97 3hlx h VAL 187 Cb 0.29 1.38 -0.07 0.00 -2.13 0.00 0.00 31.29 30.76 3hlx h VAL 187 CO 0.04 0.11 0.26 -0.33 -1.23 0.00 0.00 177.57 176.42 3hlx h GLU 188 N 0.00 0.45 0.01 5.19 5.08 -1.22 0.25 114.58 124.34 3hlx h GLU 188 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hlx h GLU 188 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hlx h GLU 188 CO 0.02 0.30 -0.00 1.25 -1.00 0.00 0.00 179.01 179.57 3hlx h HIS 189 N 0.46 -0.01 -0.88 4.33 2.76 -1.47 -2.91 115.15 117.43 3hlx h HIS 189 Ca 0.31 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.56 3hlx h HIS 189 Cb 0.35 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 3hlx h HIS 189 CO -0.15 0.71 0.54 0.78 -1.30 0.00 0.00 177.93 178.51 3hlx h GLY 190 N -0.73 1.37 1.32 5.26 0.00 -1.12 -0.99 103.07 108.18 3hlx h GLY 190 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 3hlx h GLY 190 CO 0.00 0.20 -0.65 -2.00 0.00 0.00 0.00 176.54 174.09 3hlx h LEU 191 N 0.92 0.80 -0.65 3.11 5.85 -1.07 -1.16 115.31 123.11 3hlx h LEU 191 Ca 0.41 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hlx h LEU 191 Cb 0.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3hlx h LEU 191 CO -0.22 1.24 0.39 0.00 -0.34 0.00 0.00 178.44 179.51 3hlx h ALA 192 N 0.76 0.84 -0.33 1.25 0.00 -1.22 -1.00 119.26 119.56 3hlx h ALA 192 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hlx h ALA 192 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hlx h ALA 192 CO 0.13 0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.79 3hlx h LEU 193 N 0.77 0.55 -0.84 0.00 5.85 -1.07 -2.29 115.31 118.28 3hlx h LEU 193 Ca 0.26 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hlx h LEU 193 Cb 0.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hlx h LEU 193 CO -0.11 0.70 0.44 0.00 -0.34 0.00 0.00 178.44 179.13 3hlx h ALA 194 N 0.87 1.08 0.00 1.25 0.00 -0.91 0.39 119.26 121.94 3hlx h ALA 194 Ca 0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hlx h ALA 194 Cb 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hlx h ALA 194 CO 0.01 0.61 -0.57 0.87 0.00 0.00 0.00 179.25 180.17 3hlx h LYS 195 N 1.18 0.00 0.11 0.00 1.57 -1.12 -0.34 116.57 117.96 3hlx h LYS 195 Ca 0.29 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.86 3hlx h LYS 195 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hlx h LYS 195 CO -0.04 0.57 -0.88 0.00 -0.57 0.00 0.00 179.45 178.52 3hlx h ALA 196 N 1.43 -0.04 -0.05 3.86 0.00 -1.13 -3.39 119.26 119.95 3hlx h ALA 196 Ca -0.01 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 3hlx h ALA 196 Cb 1.03 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hlx h ALA 196 CO 0.07 0.45 -0.77 -0.92 0.00 0.00 0.00 179.25 178.08 3hlx h TYR 197 N -0.14 0.86 -1.84 0.00 3.20 -0.86 -3.39 116.97 114.79 3hlx h TYR 197 Ca -0.14 -0.43 -0.75 0.00 3.14 0.00 0.00 58.73 60.54 3hlx h TYR 197 Cb 1.64 -0.11 -0.17 0.00 1.54 0.00 0.00 36.73 39.63 3hlx h TYR 197 CO 0.16 1.26 1.65 0.00 -1.64 0.00 0.00 178.16 179.59 3hlx n ASP 199 N 4.57 3.88 -3.94 0.00 5.75 -1.26 -4.69 116.55 120.86 3hlx n ASP 199 Ca 0.38 -3.02 -0.09 0.00 -0.01 0.00 0.00 54.79 52.05 3hlx n ASP 199 Cb 0.39 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.85 3hlx n ASP 199 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3hlx s SER 200 N -1.94 0.23 0.26 -1.12 1.04 -1.26 -5.03 113.70 105.88 3hlx s SER 200 Ca 0.42 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 3hlx s SER 200 Cb 0.34 0.25 0.40 0.00 0.10 0.00 0.00 66.02 67.12 3hlx s SER 200 CO 0.09 -0.59 1.88 0.00 0.98 0.00 0.00 173.24 175.60 3hlx h ALA 201 N 3.31 1.37 -0.47 5.32 0.00 -1.91 -0.51 119.26 126.37 3hlx h ALA 201 Ca -0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hlx h ALA 201 Cb 1.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hlx h ALA 201 CO 0.55 0.41 0.25 1.49 0.00 0.00 0.00 179.25 181.96 3hlx h GLU 202 N 1.14 0.66 -0.09 0.00 4.81 -1.94 -0.85 114.58 118.32 3hlx h GLU 202 Ca 0.43 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 3hlx h GLU 202 Cb 0.18 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3hlx h GLU 202 CO -0.18 0.53 -0.70 0.87 -0.73 0.00 0.00 179.01 178.80 3hlx h LYS 203 N 0.62 0.42 -0.38 1.92 1.57 -1.80 -2.40 116.57 116.51 3hlx h LYS 203 Ca 0.17 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3hlx h LYS 203 Cb 0.07 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hlx h LYS 203 CO -0.03 0.96 0.03 1.96 -0.57 0.00 0.00 179.45 181.81 3hlx h GLN 204 N 0.29 0.66 -0.63 3.15 4.20 -0.79 -0.64 115.11 121.35 3hlx h GLN 204 Ca -0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3hlx h GLN 204 Cb 1.27 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 3hlx h GLN 204 CO 0.12 0.73 0.37 -0.91 -0.67 0.00 0.00 178.83 178.47 3hlx h ASN 205 N 0.49 0.76 -0.50 1.46 2.35 -1.16 -1.76 115.58 117.23 3hlx h ASN 205 Ca 0.11 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3hlx h ASN 205 Cb 0.41 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3hlx h ASN 205 CO 0.01 0.61 0.21 -0.09 -1.65 0.00 0.00 177.43 176.53 3hlx h ARG 206 N 0.85 0.74 -0.48 0.81 9.65 -1.30 -2.47 114.38 122.18 3hlx h ARG 206 Ca 0.22 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 3hlx h ARG 206 Cb -0.00 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 3hlx h ARG 206 CO -0.04 0.64 -0.05 1.98 2.80 0.00 0.00 179.97 185.30 3hlx h MET 207 N 0.67 0.84 -0.24 0.20 4.05 -0.89 -0.49 114.93 119.06 3hlx h MET 207 Ca 0.17 -0.26 -0.05 0.00 -0.28 0.00 0.00 59.70 59.28 3hlx h MET 207 Cb 0.17 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3hlx h MET 207 CO -0.02 0.87 -0.08 -0.07 0.23 0.00 0.00 176.91 177.85 3hlx h LEU 208 N 0.77 0.35 -0.45 3.39 3.38 -1.12 -0.26 115.31 121.37 3hlx h LEU 208 Ca 0.14 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3hlx h LEU 208 Cb 0.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hlx h LEU 208 CO 0.03 0.47 -0.60 -0.08 0.09 0.00 0.00 178.44 178.35 3hlx h GLU 209 N 0.35 0.58 -0.70 1.13 4.57 -0.95 -1.62 114.58 117.94 3hlx h GLU 209 Ca 0.07 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 3hlx h GLU 209 Cb 0.37 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3hlx h GLU 209 CO 0.02 1.01 0.37 0.82 -1.18 0.00 0.00 179.01 180.05 3hlx h ILE 210 N 0.43 1.22 -0.53 2.32 2.04 -0.66 -0.88 117.51 121.44 3hlx h ILE 210 Ca -0.00 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3hlx h ILE 210 Cb 1.16 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3hlx h ILE 210 CO 0.11 0.24 0.03 0.25 0.00 0.00 0.00 178.15 178.79 3hlx h LEU 211 N 0.96 0.85 -0.71 1.44 5.85 -0.98 -1.50 115.31 121.21 3hlx h LEU 211 Ca 0.24 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hlx h LEU 211 Cb 0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3hlx h LEU 211 CO -0.04 0.89 0.38 -0.61 -0.34 0.00 0.00 178.44 178.72 3hlx h GLN 212 N 0.82 1.00 -0.57 1.25 5.75 -1.02 -0.80 115.11 121.55 3hlx h GLN 212 Ca 0.16 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 58.62 3hlx h GLN 212 Cb 0.45 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 3hlx h GLN 212 CO 0.02 0.76 0.19 0.35 -2.65 0.00 0.00 178.83 177.50 3hlx h PHE 213 N 0.98 0.33 -0.28 3.99 3.57 -0.69 0.47 116.94 125.30 3hlx h PHE 213 Ca 0.25 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3hlx h PHE 213 Cb 0.06 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3hlx h PHE 213 CO -0.00 0.08 0.15 -0.22 -2.23 0.00 0.00 178.31 176.08 3hlx h LYS 214 N 0.36 0.40 -0.90 1.11 1.63 -0.76 -1.64 116.57 116.77 3hlx h LYS 214 Ca 0.28 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.14 3hlx h LYS 214 Cb 0.35 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.83 3hlx h LYS 214 CO -0.30 0.36 0.54 -0.07 -3.45 0.00 0.00 179.45 176.53 3hlx h LEU 215 N 0.33 0.78 -0.98 5.20 3.38 -0.79 -2.40 115.31 120.83 3hlx h LEU 215 Ca 0.10 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3hlx h LEU 215 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3hlx h LEU 215 CO -0.01 0.43 0.06 0.44 0.09 0.00 0.00 178.44 179.44 3hlx h ASP 216 N 0.88 0.75 0.03 -0.43 3.32 -0.50 -1.50 116.42 118.96 3hlx h ASP 216 Ca 0.44 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.34 3hlx h ASP 216 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3hlx h ASP 216 CO -0.26 0.78 -0.06 0.40 -1.72 0.00 0.00 179.24 178.38 3hlx h ILE 217 N 0.75 0.85 -0.79 0.35 2.04 -0.82 -0.49 117.51 119.41 3hlx h ILE 217 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3hlx h ILE 217 Cb 0.38 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3hlx h ILE 217 CO 0.01 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.54 3hlx h LEU 218 N -0.12 0.97 -0.48 1.44 3.38 -1.16 -1.60 115.31 117.74 3hlx h LEU 218 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hlx h LEU 218 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hlx h LEU 218 CO -0.05 0.77 0.11 -0.25 0.09 0.00 0.00 178.44 179.12 3hlx h TRP 219 N 1.09 0.81 -0.07 1.13 2.91 -1.22 -2.98 115.95 117.61 3hlx h TRP 219 Ca 0.28 -0.10 -0.09 0.00 1.13 0.00 0.00 58.89 60.11 3hlx h TRP 219 Cb 0.01 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 3hlx h TRP 219 CO -0.00 0.73 -0.38 1.03 -1.03 0.00 0.00 178.44 178.79 3hlx h SER 220 N 0.65 0.16 -0.38 2.65 0.87 -0.86 -0.89 113.55 115.75 3hlx h SER 220 Ca 0.15 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3hlx h SER 220 Cb 0.34 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3hlx h SER 220 CO 0.00 0.53 0.16 0.24 -0.53 0.00 0.00 176.83 177.23 3hlx h MET 221 N 0.13 0.33 -0.10 2.24 2.86 -1.15 -2.12 114.93 117.12 3hlx h MET 221 Ca 0.01 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3hlx h MET 221 Cb 0.74 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3hlx h MET 221 CO 0.06 0.22 -0.45 -0.07 1.06 0.00 0.00 176.91 177.72 3hlx h LEU 222 N 0.34 0.25 -0.84 1.22 3.38 -1.34 -2.62 115.31 115.71 3hlx h LEU 222 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hlx h LEU 222 Cb 0.12 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3hlx h LEU 222 CO -0.15 0.67 0.53 0.44 0.09 0.00 0.00 178.44 180.03 3hlx h ASP 223 N 0.20 0.98 -0.57 -0.43 3.32 -0.85 -0.36 116.42 118.71 3hlx h ASP 223 Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3hlx h ASP 223 Cb 0.87 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3hlx h ASP 223 CO 0.07 0.73 0.27 0.00 -1.72 0.00 0.00 179.24 178.59 3hlx h ALA 224 N 1.29 0.73 -0.60 3.45 0.00 -1.17 -1.89 119.26 121.07 3hlx h ALA 224 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hlx h ALA 224 Cb -0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3hlx h ALA 224 CO -0.06 0.30 0.29 0.52 0.00 0.00 0.00 179.25 180.30 3hlx h MET 225 N 0.77 0.86 -0.15 0.00 2.86 -1.11 -2.40 114.93 115.75 3hlx h MET 225 Ca 0.19 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3hlx h MET 225 Cb 0.13 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3hlx h MET 225 CO -0.02 0.69 -0.06 1.15 1.06 0.00 0.00 176.91 179.73 3hlx h THR 226 N 0.81 0.80 -0.70 2.22 2.02 -0.89 0.20 112.91 117.38 3hlx h THR 226 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.47 3hlx h THR 226 Cb 0.11 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 3hlx h THR 226 CO -0.03 0.00 0.36 0.24 0.37 0.00 0.00 175.52 176.46 3hlx h MET 227 N -0.04 0.61 0.05 6.66 2.86 -1.18 -1.04 114.93 122.86 3hlx h MET 227 Ca 0.08 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3hlx h MET 227 Cb 0.15 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.68 3hlx h MET 227 CO -0.17 0.41 -0.38 0.00 1.06 0.00 0.00 176.91 177.83 3hlx h ALA 228 N 1.40 -0.02 0.00 6.32 0.00 -1.13 0.99 119.26 126.83 3hlx h ALA 228 Ca 0.33 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hlx h ALA 228 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hlx h ALA 228 CO -0.24 0.17 -1.81 0.66 0.00 0.00 0.00 179.25 178.02 3hlx n TYR 229 N -4.40 0.00 -0.10 0.00 4.01 0.69 -4.00 117.16 113.36 3hlx n TYR 229 Ca -0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.51 3hlx n TYR 229 Cb 0.61 -0.41 -0.13 0.00 -0.31 0.00 0.00 39.34 39.10 3hlx n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hlx n ALA 230 N -2.12 1.53 0.29 -0.72 0.00 -0.62 -4.73 120.51 114.14 3hlx n ALA 230 Ca -0.03 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.36 3hlx n ALA 230 Cb 0.47 -0.10 0.13 0.00 0.00 0.00 0.00 19.45 19.94 3hlx n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hlx n LEU 231 N -2.86 2.74 -3.07 0.00 4.77 -0.49 -5.00 117.00 113.09 3hlx n LEU 231 Ca -0.34 -1.41 -0.23 0.00 -0.03 0.00 0.00 56.01 54.01 3hlx n LEU 231 Cb 1.04 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 42.02 3hlx n LEU 231 CO 0.33 0.59 0.00 0.00 -1.33 0.00 0.00 177.39 176.98 3hlx n GLN 232 N 0.92 -4.86 -2.57 3.23 6.02 -1.19 -4.93 117.38 114.01 3hlx n GLN 232 Ca 0.12 0.87 -0.18 0.00 -0.01 0.00 0.00 57.00 57.81 3hlx n GLN 232 Cb 0.44 -5.73 0.02 0.00 1.02 0.00 0.00 30.24 25.99 3hlx n GLN 232 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hlx n ARG 233 N -4.04 2.27 -0.88 -1.09 1.74 0.34 -5.00 116.66 110.00 3hlx n ARG 233 Ca -0.10 -3.86 -0.30 0.00 -0.77 0.00 0.00 57.85 52.82 3hlx n ARG 233 Cb 0.61 -1.74 0.18 0.00 -1.02 0.00 0.00 32.46 30.50 3hlx n ARG 233 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hlx s PRO 234 N -3.33 0.50 0.25 5.56 0.04 -1.24 -4.32 135.00 132.45 3hlx s PRO 234 Ca 0.37 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3hlx s PRO 234 Cb 0.43 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 33.12 3hlx s PRO 234 CO -0.07 -2.81 1.27 -2.30 0.04 0.00 0.00 177.00 173.12 3hlx n PRO 235 N -4.30 1.75 -1.25 0.56 -0.02 -1.26 -2.14 135.00 128.34 3hlx n PRO 235 Ca 0.07 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3hlx n PRO 235 Cb 0.54 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 3hlx n PRO 235 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hlx n TYR 236 N 1.26 0.00 0.27 6.00 4.01 -1.26 -4.81 117.16 122.64 3hlx n TYR 236 Ca 0.11 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.98 3hlx n TYR 236 Cb 0.31 -1.75 0.79 0.00 -0.31 0.00 0.00 39.34 38.38 3hlx n TYR 236 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3hlx h HIS 237 N 0.00 0.00 0.00 -0.72 2.07 -1.61 -0.72 115.15 114.18 3hlx h HIS 237 Ca -0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 3hlx h HIS 237 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 3hlx h HIS 237 CO 0.25 0.09 0.00 0.25 -3.07 0.00 0.00 177.93 175.45 3hlx n THR 238 N -3.65 0.67 -0.01 6.12 -2.24 -1.26 -4.10 114.28 109.81 3hlx n THR 238 Ca -0.02 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hlx n THR 238 Cb 0.20 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 3hlx n THR 238 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hlx n VAL 239 N -2.26 0.18 -3.66 2.28 3.14 -0.36 -5.08 118.33 112.56 3hlx n VAL 239 Ca 0.04 -0.15 -0.15 0.00 -2.96 0.00 0.00 64.34 61.13 3hlx n VAL 239 Cb 0.37 -0.41 -0.07 0.00 -1.06 0.00 0.00 33.84 32.66 3hlx n VAL 239 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3hlx s THR 240 N -2.18 0.04 -2.43 1.55 -1.32 -0.70 -5.03 115.64 105.57 3hlx s THR 240 Ca -0.02 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 60.40 3hlx s THR 240 Cb 0.02 -0.81 0.36 0.00 -1.51 0.00 0.00 72.50 70.55 3hlx s THR 240 CO 0.18 -0.18 1.53 0.47 -2.21 0.00 0.00 174.62 174.41 3hlx n ASP 241 N 0.97 1.81 -4.96 8.08 8.00 -1.26 -4.24 116.55 124.95 3hlx n ASP 241 Ca -0.20 -1.50 -0.23 0.00 0.71 0.00 0.00 54.79 53.57 3hlx n ASP 241 Cb 0.57 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 3hlx n ASP 241 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hlx s LYS 242 N -2.14 3.42 -0.06 -1.24 1.02 -1.26 -5.06 119.74 114.41 3hlx s LYS 242 Ca 0.31 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 3hlx s LYS 242 Cb 0.20 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 3hlx s LYS 242 CO 0.39 0.46 1.40 0.00 -0.92 0.00 0.00 175.35 176.68 3hlx s ALA 243 N -1.89 3.61 0.00 5.17 0.00 -1.26 -4.90 121.76 122.48 3hlx s ALA 243 Ca 0.34 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3hlx s ALA 243 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3hlx s ALA 243 CO 0.29 -1.08 0.40 0.00 0.00 0.00 0.00 175.76 175.37 3hlx n ALA 244 N 6.09 1.96 -1.25 0.00 0.00 -1.26 -5.07 120.51 120.98 3hlx n ALA 244 Ca 0.14 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 3hlx n ALA 244 Cb 0.44 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.98 3hlx n ALA 244 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3hlx s TRP 245 N -0.02 2.56 0.51 0.00 -2.14 -1.26 -5.01 118.94 113.58 3hlx s TRP 245 Ca 0.00 1.55 -0.21 0.00 2.66 0.00 0.00 56.10 60.10 3hlx s TRP 245 Cb 0.00 -3.05 -0.06 0.00 -3.10 0.00 0.00 33.47 27.25 3hlx s TRP 245 CO 0.00 -1.83 1.15 -3.38 -2.66 0.00 0.00 176.95 170.23 3hlx s HIS 246 N -2.90 2.74 -0.04 1.66 -3.43 -1.26 -4.97 115.29 107.08 3hlx s HIS 246 Ca 0.61 1.54 0.06 0.00 -0.80 0.00 0.00 55.06 56.47 3hlx s HIS 246 Cb -0.17 -3.34 0.09 0.00 -1.43 0.00 0.00 32.58 27.73 3hlx s HIS 246 CO 0.56 -1.59 0.96 0.25 -2.00 0.00 0.00 174.74 172.92 3hlx n THR 247 N -0.97 0.90 -5.19 -5.38 -2.24 -1.26 -4.88 114.28 95.27 3hlx n THR 247 Ca 0.10 -1.02 -0.30 0.00 -2.27 0.00 0.00 64.05 60.56 3hlx n THR 247 Cb 0.50 0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 3hlx n THR 247 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hlx s THR 248 N -1.22 1.91 -1.13 4.28 2.01 -1.26 -4.83 115.64 115.40 3hlx s THR 248 Ca 0.10 -1.01 -0.22 0.00 0.31 0.00 0.00 61.69 60.87 3hlx s THR 248 Cb 0.09 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3hlx s THR 248 CO 0.01 0.54 1.86 -0.13 -0.69 0.00 0.00 174.62 176.21 3hlx s ARG 249 N -0.31 2.88 0.26 4.92 0.52 -1.26 -4.86 118.95 121.10 3hlx s ARG 249 Ca 0.02 -1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 3hlx s ARG 249 Cb -0.12 -5.27 0.43 0.00 0.52 0.00 0.00 34.95 30.52 3hlx s ARG 249 CO 0.02 -3.38 1.85 -0.07 0.02 0.00 0.00 175.30 173.74 3hlx h LEU 250 N 16.39 0.93 0.00 2.53 3.38 -1.95 -0.59 115.31 136.00 3hlx h LEU 250 Ca 0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hlx h LEU 250 Cb 0.95 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hlx h LEU 250 CO 1.28 0.56 0.00 1.33 0.09 0.00 0.00 178.44 181.70 3hlx n VAL 251 N -4.59 0.03 0.19 1.22 0.24 -1.26 -3.92 118.33 110.24 3hlx n VAL 251 Ca 0.16 0.01 0.03 0.00 -2.04 0.00 0.00 64.34 62.49 3hlx n VAL 251 Cb 0.24 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 32.07 3hlx n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hlx n LEU 252 N -1.44 0.19 -3.79 1.34 4.77 -0.43 -5.03 117.00 112.61 3hlx n LEU 252 Ca 0.09 -0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3hlx n LEU 252 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3hlx n LEU 252 CO 0.26 0.05 -0.05 -1.83 -1.33 0.00 0.00 177.39 174.48 3hlx s GLU 253 N -1.71 0.49 0.13 3.23 -1.05 -0.36 -5.05 118.70 114.37 3hlx s GLU 253 Ca 0.01 -0.00 -0.12 0.00 -0.15 0.00 0.00 54.97 54.71 3hlx s GLU 253 Cb 0.04 0.22 -0.08 0.00 -0.44 0.00 0.00 34.13 33.87 3hlx s GLU 253 CO 0.22 -0.11 1.43 1.25 0.95 0.00 0.00 175.26 179.00 3hlx h HIS 254 N 4.70 1.11 0.00 4.83 -0.00 -1.86 -3.40 115.15 120.54 3hlx h HIS 254 Ca -0.28 -0.37 0.00 0.00 -0.00 0.00 0.00 60.37 59.71 3hlx h HIS 254 Cb 1.19 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3hlx h HIS 254 CO 0.49 1.21 0.00 1.58 -0.00 0.00 0.00 177.93 181.21