#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhf s THR 3 N 0.00 4.58 0.33 1.69 2.01 -1.26 -5.01 115.64 117.99 1xhf s THR 3 Ca 0.00 1.84 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1xhf s THR 3 Cb 0.00 -4.37 -0.11 0.00 0.01 0.00 0.00 72.50 68.04 1xhf s THR 3 CO 0.00 -0.36 1.40 -2.84 -0.69 0.00 0.00 174.62 172.14 1xhf s PRO 4 N 3.46 4.24 -0.20 4.92 0.02 -1.26 -4.86 135.00 141.33 1xhf s PRO 4 Ca 0.45 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.82 1xhf s PRO 4 Cb -0.13 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1xhf s PRO 4 CO 0.12 -0.37 -0.08 -1.01 -0.33 0.00 0.00 177.00 175.33 1xhf s HIS 5 N -0.92 2.91 -0.11 6.54 3.76 -1.26 -1.58 115.29 124.63 1xhf s HIS 5 Ca 0.52 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1xhf s HIS 5 Cb -0.43 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 1xhf s HIS 5 CO 0.55 -0.51 -0.16 0.42 -0.85 0.00 0.00 174.74 174.19 1xhf s ILE 6 N 1.21 2.77 -0.27 0.60 1.09 -0.17 -0.31 121.20 126.11 1xhf s ILE 6 Ca 0.02 -0.78 -0.08 0.00 -1.10 0.00 0.00 60.65 58.72 1xhf s ILE 6 Cb -0.14 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.12 1xhf s ILE 6 CO -0.03 0.54 0.10 -0.22 -0.10 0.00 0.00 174.94 175.23 1xhf s LEU 7 N 0.15 3.69 -0.25 2.97 2.96 -0.32 0.35 118.68 128.23 1xhf s LEU 7 Ca -0.09 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 1xhf s LEU 7 Cb -0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1xhf s LEU 7 CO 0.05 -0.10 0.13 0.27 -1.32 0.00 0.00 176.35 175.38 1xhf s ILE 8 N 1.60 4.96 -0.46 6.68 -4.36 -0.51 -0.26 121.20 128.86 1xhf s ILE 8 Ca 0.05 0.05 -0.11 0.00 -0.26 0.00 0.00 60.65 60.38 1xhf s ILE 8 Cb -0.16 -3.32 0.10 0.00 1.25 0.00 0.00 42.46 40.33 1xhf s ILE 8 CO 0.04 0.33 0.34 -0.69 0.24 0.00 0.00 174.94 175.20 1xhf s VAL 9 N 1.32 4.43 -0.28 8.37 1.01 -0.23 -1.34 120.40 133.68 1xhf s VAL 9 Ca 0.06 -1.53 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1xhf s VAL 9 Cb -0.15 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.53 1xhf s VAL 9 CO 0.06 -0.66 0.66 -0.70 0.00 0.00 0.00 175.10 174.46 1xhf s GLU 10 N 1.44 0.65 0.21 2.72 2.56 -0.33 -1.15 118.70 124.81 1xhf s GLU 10 Ca 0.04 1.29 0.23 0.00 0.00 0.00 0.00 54.97 56.52 1xhf s GLU 10 Cb -0.25 0.37 0.05 0.00 2.00 0.00 0.00 34.13 36.30 1xhf s GLU 10 CO 0.01 -0.17 1.10 0.38 -0.56 0.00 0.00 175.26 176.03 1xhf h ASP 11 N 7.34 0.00 -3.51 -1.70 -0.00 -1.81 -3.38 116.42 113.35 1xhf h ASP 11 Ca -0.26 -0.02 -0.61 0.00 -0.00 0.00 0.00 57.03 56.14 1xhf h ASP 11 Cb 1.19 0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 40.40 1xhf h ASP 11 CO 0.14 0.01 0.07 -1.61 -0.00 0.00 0.00 179.24 177.86 1xhf s GLU 12 N -3.34 4.11 0.17 4.15 2.02 -1.26 -4.96 118.70 119.59 1xhf s GLU 12 Ca 0.01 0.45 -0.17 0.00 0.02 0.00 0.00 54.97 55.28 1xhf s GLU 12 Cb 0.09 -3.64 0.11 0.00 0.10 0.00 0.00 34.13 30.79 1xhf s GLU 12 CO 0.78 -0.36 1.65 1.25 0.02 0.00 0.00 175.26 178.60 1xhf h LEU 13 N 8.74 -0.49 -0.92 1.80 5.85 -1.99 -0.11 115.31 128.19 1xhf h LEU 13 Ca -0.28 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1xhf h LEU 13 Cb 1.13 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1xhf h LEU 13 CO 0.75 -0.17 0.52 0.58 -0.34 0.00 0.00 178.44 179.78 1xhf h VAL 14 N -0.05 1.26 -0.54 1.05 2.07 -1.99 -0.05 116.25 118.01 1xhf h VAL 14 Ca 0.20 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1xhf h VAL 14 Cb 0.35 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1xhf h VAL 14 CO -0.45 0.28 -0.01 0.74 0.02 0.00 0.00 177.57 178.15 1xhf h THR 15 N 1.27 1.26 -0.83 2.57 2.02 -1.81 -2.22 112.91 115.18 1xhf h THR 15 Ca 0.33 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1xhf h THR 15 Cb -0.01 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1xhf h THR 15 CO -0.06 0.40 0.50 0.03 0.37 0.00 0.00 175.52 176.77 1xhf h ARG 16 N 0.83 1.12 -0.48 6.66 3.08 -0.29 -0.46 114.38 124.83 1xhf h ARG 16 Ca 0.15 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1xhf h ARG 16 Cb 0.55 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1xhf h ARG 16 CO 0.03 0.78 0.12 -0.91 -1.07 0.00 0.00 179.97 178.92 1xhf h ASN 17 N 1.13 0.72 -0.03 7.04 -0.26 -0.88 0.12 115.58 123.43 1xhf h ASN 17 Ca 0.30 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1xhf h ASN 17 Cb -0.06 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.01 1xhf h ASN 17 CO -0.06 0.76 0.02 0.74 -1.06 0.00 0.00 177.43 177.83 1xhf h THR 18 N 0.65 1.06 -0.87 2.81 2.02 -1.18 -1.89 112.91 115.52 1xhf h THR 18 Ca 0.15 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1xhf h THR 18 Cb 0.32 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1xhf h THR 18 CO 0.00 0.05 0.47 -0.07 0.37 0.00 0.00 175.52 176.34 1xhf h LEU 19 N -0.03 1.09 -0.38 2.58 3.38 -0.81 -0.98 115.31 120.16 1xhf h LEU 19 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xhf h LEU 19 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xhf h LEU 19 CO -0.00 0.88 0.19 0.50 0.09 0.00 0.00 178.44 180.10 1xhf h LYS 20 N 1.21 0.53 -0.13 1.13 3.64 -0.70 -1.22 116.57 121.04 1xhf h LYS 20 Ca 0.30 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1xhf h LYS 20 Cb 0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1xhf h LYS 20 CO -0.05 0.46 -0.61 0.66 -2.27 0.00 0.00 179.45 177.64 1xhf h SER 21 N 0.47 0.51 -0.29 4.20 4.64 -1.03 -0.18 113.55 121.88 1xhf h SER 21 Ca 0.13 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1xhf h SER 21 Cb 0.09 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1xhf h SER 21 CO -0.02 1.00 0.05 0.40 -0.87 0.00 0.00 176.83 177.39 1xhf h ILE 22 N 0.34 0.86 0.01 0.95 2.04 -0.97 -1.46 117.51 119.28 1xhf h ILE 22 Ca -0.01 -0.05 -0.20 0.00 1.00 0.00 0.00 64.86 65.60 1xhf h ILE 22 Cb 1.15 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1xhf h ILE 22 CO 0.11 0.03 -0.92 -0.26 0.00 0.00 0.00 178.15 177.11 1xhf h PHE 23 N 0.16 0.15 -0.41 1.37 0.04 -1.07 -2.65 116.94 114.53 1xhf h PHE 23 Ca 0.14 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1xhf h PHE 23 Cb 0.15 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1xhf h PHE 23 CO -0.17 0.96 0.03 0.93 -0.60 0.00 0.00 178.31 179.46 1xhf h GLU 24 N 0.04 0.65 0.00 1.51 5.08 -1.01 -0.52 114.58 120.34 1xhf h GLU 24 Ca -0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1xhf h GLU 24 Cb 1.59 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1xhf h GLU 24 CO 0.13 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 1xhf n ALA 25 N -2.47 1.81 0.88 3.43 0.00 -0.55 -0.57 120.51 123.03 1xhf n ALA 25 Ca 0.02 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1xhf n ALA 25 Cb 0.25 -1.19 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1xhf n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xhf n GLU 26 N -1.17 1.77 -0.78 0.00 -0.58 -0.27 -4.97 120.64 114.62 1xhf n GLU 26 Ca 0.07 -1.50 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 1xhf n GLU 26 Cb 0.07 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1xhf n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xhf n GLY 27 N 1.22 0.55 3.92 0.62 0.00 0.26 -5.07 105.19 106.71 1xhf n GLY 27 Ca 0.11 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1xhf n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhf s TYR 28 N -2.00 3.49 -0.09 1.61 2.02 -0.76 -4.69 117.35 116.93 1xhf s TYR 28 Ca 0.00 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.00 1xhf s TYR 28 Cb 0.00 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1xhf s TYR 28 CO 0.00 0.19 0.43 -0.51 -1.57 0.00 0.00 175.55 174.09 1xhf s ASP 29 N -3.51 6.68 -0.20 2.29 1.01 -0.62 -4.25 116.67 118.08 1xhf s ASP 29 Ca 0.41 0.81 -0.03 0.00 0.71 0.00 0.00 52.55 54.46 1xhf s ASP 29 Cb -0.10 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 1xhf s ASP 29 CO 0.32 0.10 -0.08 -0.69 0.21 0.00 0.00 175.17 175.04 1xhf s VAL 30 N 0.13 3.15 0.02 -1.27 1.01 -1.26 -1.00 120.40 121.18 1xhf s VAL 30 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1xhf s VAL 30 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1xhf s VAL 30 CO 0.10 0.46 0.10 -0.36 0.00 0.00 0.00 175.10 175.40 1xhf s PHE 31 N 1.26 3.31 -0.05 5.22 0.08 0.15 -4.97 117.98 122.98 1xhf s PHE 31 Ca 0.03 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.31 1xhf s PHE 31 Cb -0.14 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 1xhf s PHE 31 CO -0.03 0.56 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.27 1xhf s GLU 32 N -2.00 1.90 -0.01 0.44 2.02 -1.26 -1.42 118.70 118.36 1xhf s GLU 32 Ca 0.26 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.69 1xhf s GLU 32 Cb -0.12 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 1xhf s GLU 32 CO 0.18 0.19 -0.11 0.00 0.02 0.00 0.00 175.26 175.54 1xhf s ALA 33 N 0.20 0.93 -1.02 5.21 0.00 -0.45 -4.98 121.76 121.66 1xhf s ALA 33 Ca -0.08 -0.47 0.22 0.00 0.00 0.00 0.00 51.96 51.64 1xhf s ALA 33 Cb -0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1xhf s ALA 33 CO 0.03 0.22 1.04 0.25 0.00 0.00 0.00 175.76 177.30 1xhf n THR 34 N 2.87 0.00 -3.65 0.00 -2.24 -1.26 -1.18 114.28 108.82 1xhf n THR 34 Ca -0.14 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 1xhf n THR 34 Cb 0.56 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1xhf n THR 34 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xhf n ASP 35 N -1.48 -1.66 0.05 3.42 3.85 -1.26 -4.23 116.55 115.24 1xhf n ASP 35 Ca 0.04 -2.09 -0.03 0.00 -0.71 0.00 0.00 54.79 52.00 1xhf n ASP 35 Cb 0.33 2.75 0.21 0.00 -1.35 0.00 0.00 41.12 43.06 1xhf n ASP 35 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1xhf h GLY 36 N 1.51 0.41 0.63 6.12 0.00 -1.85 -3.01 103.07 106.87 1xhf h GLY 36 Ca -0.25 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1xhf h GLY 36 CO 0.31 0.33 -0.17 0.00 0.00 0.00 0.00 176.54 177.01 1xhf h ALA 37 N 1.33 0.12 0.00 3.60 0.00 -1.97 -1.79 119.26 120.56 1xhf h ALA 37 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xhf h ALA 37 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xhf h ALA 37 CO 0.06 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1xhf n GLU 38 N -4.58 0.00 0.00 0.00 1.02 -1.14 -1.85 120.64 114.09 1xhf n GLU 38 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1xhf n GLU 38 Cb 0.40 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1xhf n GLU 38 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xhf n HIS 40 N 0.95 0.00 -0.02 -0.32 8.25 -0.67 -1.65 115.22 121.75 1xhf n HIS 40 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1xhf n HIS 40 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1xhf n HIS 40 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1xhf h GLN 41 N 0.00 0.40 -0.69 -0.41 3.07 -1.64 -1.95 115.11 113.90 1xhf h GLN 41 Ca 0.00 -0.36 0.08 0.00 0.09 0.00 0.00 58.65 58.47 1xhf h GLN 41 Cb 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 27.48 27.58 1xhf h GLN 41 CO 0.00 1.01 0.34 0.82 0.09 0.00 0.00 178.83 181.09 1xhf h ILE 42 N -0.08 0.87 0.00 1.86 2.04 -1.59 -1.83 117.51 118.78 1xhf h ILE 42 Ca -0.04 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1xhf h ILE 42 Cb 1.12 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1xhf h ILE 42 CO 0.09 0.11 -0.22 -0.07 0.00 0.00 0.00 178.15 178.06 1xhf h LEU 43 N 0.60 0.00 0.00 1.44 3.38 -1.80 -1.00 115.31 117.92 1xhf h LEU 43 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1xhf h LEU 43 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xhf h LEU 43 CO -0.25 0.22 -0.45 0.77 0.09 0.00 0.00 178.44 178.83 1xhf h SER 44 N 0.00 0.00 0.00 -0.43 4.64 -0.63 -3.39 113.55 113.74 1xhf h SER 44 Ca -0.00 -0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1xhf h SER 44 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1xhf h SER 44 CO 0.03 0.07 -1.78 1.21 -0.87 0.00 0.00 176.83 175.49 1xhf n GLU 45 N -2.21 1.34 -4.15 4.77 2.13 -0.76 -5.03 120.64 116.73 1xhf n GLU 45 Ca 0.04 -0.05 -0.17 0.00 0.66 0.00 0.00 57.16 57.64 1xhf n GLU 45 Cb 0.44 -1.33 -0.12 0.00 0.27 0.00 0.00 31.44 30.71 1xhf n GLU 45 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1xhf s TYR 46 N -2.56 1.02 0.23 4.31 1.51 -0.45 -5.09 117.35 116.33 1xhf s TYR 46 Ca -0.06 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.24 1xhf s TYR 46 Cb 0.06 -0.59 -0.10 0.00 -0.11 0.00 0.00 41.96 41.22 1xhf s TYR 46 CO 0.54 0.01 1.43 -0.51 -1.11 0.00 0.00 175.55 175.91 1xhf s ASP 47 N -1.62 6.69 -0.05 2.29 1.01 -1.26 -4.66 116.67 119.07 1xhf s ASP 47 Ca -0.04 2.60 0.01 0.00 0.71 0.00 0.00 52.55 55.83 1xhf s ASP 47 Cb -0.10 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1xhf s ASP 47 CO 0.02 -0.68 -0.04 -0.63 0.21 0.00 0.00 175.17 174.04 1xhf s ILE 48 N 0.17 0.56 -0.24 0.77 -1.09 -1.26 -4.76 121.20 115.35 1xhf s ILE 48 Ca 0.60 -0.10 0.18 0.00 -2.23 0.00 0.00 60.65 59.09 1xhf s ILE 48 Cb -0.41 -0.60 -0.25 0.00 -1.58 0.00 0.00 42.46 39.62 1xhf s ILE 48 CO 0.41 0.24 0.48 0.59 -1.23 0.00 0.00 174.94 175.43 1xhf n ASN 49 N 4.27 0.90 -3.66 3.58 4.13 0.57 -4.95 115.26 120.10 1xhf n ASN 49 Ca -0.21 -0.25 -0.09 0.00 1.68 0.00 0.00 54.58 55.71 1xhf n ASN 49 Cb 0.51 1.59 -0.08 0.00 -1.54 0.00 0.00 39.78 40.25 1xhf n ASN 49 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xhf s LEU 50 N -3.85 -0.54 -0.16 3.41 2.96 -1.10 -3.87 118.68 115.53 1xhf s LEU 50 Ca -0.03 1.25 -0.04 0.00 -0.22 0.00 0.00 54.13 55.09 1xhf s LEU 50 Cb 0.12 1.98 -0.03 0.00 0.50 0.00 0.00 46.19 48.76 1xhf s LEU 50 CO 0.73 -0.22 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.83 1xhf s VAL 51 N 1.32 4.04 0.52 1.68 1.01 -0.42 -1.17 120.40 127.37 1xhf s VAL 51 Ca -0.08 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1xhf s VAL 51 Cb -0.06 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1xhf s VAL 51 CO -0.14 0.48 0.48 -0.63 0.00 0.00 0.00 175.10 175.30 1xhf s ILE 52 N 0.42 2.01 0.06 2.22 -1.09 0.64 -4.31 121.20 121.14 1xhf s ILE 52 Ca -0.03 -1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 56.93 1xhf s ILE 52 Cb -0.14 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 1xhf s ILE 52 CO 0.02 0.00 0.25 -0.62 -1.23 0.00 0.00 174.94 173.36 1xhf s ASP 54 N -4.33 -0.02 -0.24 3.58 2.15 -0.30 -1.07 116.67 116.44 1xhf s ASP 54 Ca 0.44 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.89 1xhf s ASP 54 Cb -0.03 0.34 -0.13 0.00 -0.30 0.00 0.00 42.92 42.79 1xhf s ASP 54 CO 0.27 -0.63 -0.16 -0.38 -0.17 0.00 0.00 175.17 174.09 1xhf n ILE 55 N 0.44 1.52 -2.49 4.11 5.41 -1.26 -3.67 119.36 123.42 1xhf n ILE 55 Ca -0.18 -0.19 -0.42 0.00 1.00 0.00 0.00 62.75 62.96 1xhf n ILE 55 Cb 0.60 -2.00 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 1xhf n ILE 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1xhf s ASN 56 N -7.06 6.27 0.09 4.38 0.01 -1.26 -0.55 114.94 116.81 1xhf s ASN 56 Ca -0.34 0.11 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1xhf s ASN 56 Cb 0.10 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 1xhf s ASN 56 CO 0.50 -1.63 -0.09 -0.76 -1.51 0.00 0.00 177.10 173.61 1xhf s LEU 57 N 5.56 2.41 0.32 0.60 1.43 -1.26 -4.73 118.68 123.01 1xhf s LEU 57 Ca 0.46 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1xhf s LEU 57 Cb -0.09 -0.25 -0.10 0.00 0.03 0.00 0.00 46.19 45.78 1xhf s LEU 57 CO 0.24 -0.29 1.35 -2.16 0.23 0.00 0.00 176.35 175.72 1xhf s PRO 58 N -2.84 4.31 2.82 1.29 0.04 -1.26 -4.68 135.00 134.69 1xhf s PRO 58 Ca 0.05 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1xhf s PRO 58 Cb -0.02 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1xhf s PRO 58 CO -0.01 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1xhf n GLY 59 N 0.96 0.18 3.77 0.56 0.00 -1.26 -4.62 105.19 104.78 1xhf n GLY 59 Ca 0.01 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1xhf n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhf s LYS 60 N 0.00 3.82 0.78 1.61 1.02 -1.26 -5.01 119.74 120.71 1xhf s LYS 60 Ca 0.00 2.25 -0.12 0.00 0.02 0.00 0.00 55.97 58.12 1xhf s LYS 60 Cb 0.00 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 1xhf s LYS 60 CO 0.00 -0.65 1.11 0.54 -0.92 0.00 0.00 175.35 175.44 1xhf s ASN 61 N -0.68 4.70 0.42 2.83 2.20 -1.26 -4.60 114.94 118.55 1xhf s ASN 61 Ca 0.59 1.13 0.11 0.00 -0.94 0.00 0.00 52.86 53.75 1xhf s ASN 61 Cb -0.40 -1.83 0.90 0.00 -2.00 0.00 0.00 41.25 37.92 1xhf s ASN 61 CO 0.51 -1.82 1.98 1.23 -2.94 0.00 0.00 177.10 176.07 1xhf h GLY 62 N -0.99 0.21 0.90 0.45 0.00 -0.90 -1.43 103.07 101.32 1xhf h GLY 62 Ca -0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1xhf h GLY 62 CO 0.62 0.11 0.01 1.41 0.00 0.00 0.00 176.54 178.68 1xhf h LEU 63 N 0.19 0.56 -0.22 3.11 3.38 -1.84 0.24 115.31 120.73 1xhf h LEU 63 Ca 0.04 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1xhf h LEU 63 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xhf h LEU 63 CO 0.01 0.73 -0.20 0.25 0.09 0.00 0.00 178.44 179.32 1xhf h LEU 64 N 0.38 0.56 -0.69 1.67 5.85 -1.90 -1.75 115.31 119.42 1xhf h LEU 64 Ca 0.09 -0.46 0.13 0.00 0.84 0.00 0.00 57.88 58.48 1xhf h LEU 64 Cb 0.43 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1xhf h LEU 64 CO 0.02 0.91 0.21 -0.07 -0.34 0.00 0.00 178.44 179.17 1xhf h LEU 65 N 0.22 0.13 -0.91 2.25 3.38 -1.14 -1.03 115.31 118.22 1xhf h LEU 65 Ca 0.04 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1xhf h LEU 65 Cb 0.74 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 1xhf h LEU 65 CO 0.05 0.05 0.57 0.00 0.09 0.00 0.00 178.44 179.20 1xhf h ALA 66 N 1.53 1.25 -0.54 1.53 0.00 -0.31 0.28 119.26 123.00 1xhf h ALA 66 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1xhf h ALA 66 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xhf h ALA 66 CO -0.42 0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.38 1xhf h ARG 67 N 1.04 0.81 -0.27 0.00 3.08 -0.38 0.03 114.38 118.70 1xhf h ARG 67 Ca 0.39 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1xhf h ARG 67 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1xhf h ARG 67 CO -0.17 0.71 -0.08 0.93 -1.07 0.00 0.00 179.97 180.29 1xhf h GLU 68 N 0.74 0.53 -0.46 0.04 5.08 -0.94 -2.79 114.58 116.78 1xhf h GLU 68 Ca 0.18 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1xhf h GLU 68 Cb 0.20 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1xhf h GLU 68 CO -0.01 0.75 0.17 1.25 -1.00 0.00 0.00 179.01 180.17 1xhf h LEU 69 N 0.28 0.19 -1.21 1.33 5.85 -0.75 -1.67 115.31 119.32 1xhf h LEU 69 Ca 0.07 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xhf h LEU 69 Cb 0.56 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1xhf h LEU 69 CO 0.03 0.14 0.00 0.03 -0.34 0.00 0.00 178.44 178.30 1xhf h ARG 70 N 0.35 0.00 0.00 1.25 2.47 -0.84 -0.81 114.38 116.80 1xhf h ARG 70 Ca 0.21 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.82 1xhf h ARG 70 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1xhf h ARG 70 CO -0.21 0.00 -0.58 0.93 0.56 0.00 0.00 179.97 180.67 1xhf h GLU 71 N 0.00 0.00 0.03 0.04 4.39 -1.03 -3.36 114.58 114.65 1xhf h GLU 71 Ca 0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1xhf h GLU 71 Cb 0.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1xhf h GLU 71 CO 0.00 0.51 -2.02 1.04 -1.16 0.00 0.00 179.01 177.38 1xhf n GLN 72 N -3.21 0.68 -3.77 2.33 1.13 -0.87 -5.07 117.38 108.60 1xhf n GLN 72 Ca 0.01 0.21 -0.12 0.00 -1.94 0.00 0.00 57.00 55.16 1xhf n GLN 72 Cb 0.75 -1.68 -0.08 0.00 0.11 0.00 0.00 30.24 29.33 1xhf n GLN 72 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xhf s ALA 73 N -2.56 -0.70 -0.24 -1.58 0.00 -0.36 -5.04 121.76 111.28 1xhf s ALA 73 Ca -0.14 0.16 0.13 0.00 0.00 0.00 0.00 51.96 52.10 1xhf s ALA 73 Cb 0.07 0.17 0.53 0.00 0.00 0.00 0.00 23.12 23.89 1xhf s ALA 73 CO 0.78 -0.31 1.47 0.27 0.00 0.00 0.00 175.76 177.97 1xhf n ASN 74 N 1.03 3.24 -4.64 0.00 0.23 -1.26 -4.17 115.26 109.68 1xhf n ASN 74 Ca -0.21 -3.39 -0.42 0.00 -0.53 0.00 0.00 54.58 50.03 1xhf n ASN 74 Cb 0.57 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1xhf n ASN 74 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1xhf n VAL 75 N -0.83 2.32 -1.62 3.53 3.14 -1.26 -4.91 118.33 118.71 1xhf n VAL 75 Ca 0.29 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.72 1xhf n VAL 75 Cb 1.00 -1.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.48 1xhf n VAL 75 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xhf n ALA 76 N -0.19 0.14 -2.72 1.55 0.00 -1.25 -4.88 120.51 113.15 1xhf n ALA 76 Ca 0.08 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1xhf n ALA 76 Cb 0.38 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1xhf n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xhf s LEU 77 N 0.22 1.14 0.02 0.00 2.96 -1.26 -1.30 118.68 120.46 1xhf s LEU 77 Ca 0.63 -1.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.13 1xhf s LEU 77 Cb -0.71 1.20 -0.02 0.00 0.50 0.00 0.00 46.19 47.16 1xhf s LEU 77 CO 0.56 -1.20 -0.26 -0.36 -1.32 0.00 0.00 176.35 173.78 1xhf s PHE 79 N -3.29 2.30 -0.23 5.38 0.40 -0.75 -0.74 117.98 121.05 1xhf s PHE 79 Ca 0.33 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1xhf s PHE 79 Cb 0.01 -1.42 0.08 0.00 0.51 0.00 0.00 43.02 42.20 1xhf s PHE 79 CO 0.20 0.05 0.13 -1.17 0.70 0.00 0.00 175.22 175.13 1xhf s LEU 80 N -0.95 0.34 -0.05 -0.37 2.96 -1.24 -0.39 118.68 118.98 1xhf s LEU 80 Ca 0.11 -0.84 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 1xhf s LEU 80 Cb -0.10 -0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.44 1xhf s LEU 80 CO 0.01 -0.38 0.38 0.28 -1.32 0.00 0.00 176.35 175.32 1xhf s THR 81 N 2.16 0.04 -1.74 3.68 -1.32 -0.65 -3.78 115.64 114.02 1xhf s THR 81 Ca 0.06 -0.31 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1xhf s THR 81 Cb -0.16 -0.66 0.53 0.00 -1.51 0.00 0.00 72.50 70.70 1xhf s THR 81 CO -0.21 -0.17 1.73 0.61 -2.21 0.00 0.00 174.62 174.37 1xhf n GLY 82 N 1.51 -0.86 3.58 6.08 0.00 -1.26 -1.36 105.19 112.88 1xhf n GLY 82 Ca -0.20 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1xhf n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xhf s ARG 83 N -2.26 3.32 -1.14 1.61 1.81 -1.26 -4.84 118.95 116.19 1xhf s ARG 83 Ca 0.28 -1.52 -0.08 0.00 -1.72 0.00 0.00 55.73 52.69 1xhf s ARG 83 Cb 0.15 -5.39 0.26 0.00 -0.45 0.00 0.00 34.95 29.53 1xhf s ARG 83 CO 0.30 -2.95 1.33 -3.47 -0.68 0.00 0.00 175.30 169.83 1xhf n ASP 84 N 10.95 5.69 -3.73 0.23 -0.08 -1.26 -4.67 116.55 123.68 1xhf n ASP 84 Ca 0.45 -3.14 -0.13 0.00 -1.51 0.00 0.00 54.79 50.47 1xhf n ASP 84 Cb 0.47 -1.39 -0.08 0.00 2.34 0.00 0.00 41.12 42.46 1xhf n ASP 84 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xhf s ASN 85 N 0.66 -0.19 0.33 1.67 2.20 -1.26 -5.07 114.94 113.28 1xhf s ASN 85 Ca 0.34 -0.03 0.03 0.00 -0.94 0.00 0.00 52.86 52.26 1xhf s ASN 85 Cb -0.03 0.36 0.58 0.00 -2.00 0.00 0.00 41.25 40.15 1xhf s ASN 85 CO -0.01 -0.56 1.89 -0.08 -2.94 0.00 0.00 177.10 175.40 1xhf h GLU 86 N 3.41 0.63 0.02 3.55 4.57 -1.99 -2.53 114.58 122.24 1xhf h GLU 86 Ca -0.31 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1xhf h GLU 86 Cb 1.19 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1xhf h GLU 86 CO 0.43 0.58 -0.01 0.28 -1.18 0.00 0.00 179.01 179.11 1xhf h VAL 87 N 0.62 1.26 -0.71 0.32 2.07 -1.97 -1.14 116.25 116.70 1xhf h VAL 87 Ca 0.14 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1xhf h VAL 87 Cb 0.24 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1xhf h VAL 87 CO -0.00 0.23 0.24 0.44 0.02 0.00 0.00 177.57 178.49 1xhf h ASP 88 N -0.42 1.01 0.05 0.57 3.32 -1.88 0.17 116.42 119.24 1xhf h ASP 88 Ca -0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xhf h ASP 88 Cb 0.40 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1xhf h ASP 88 CO 0.01 0.93 -0.04 0.50 -1.72 0.00 0.00 179.24 178.92 1xhf h LYS 89 N 1.05 -0.09 -0.55 3.56 3.64 -1.41 0.17 116.57 122.94 1xhf h LYS 89 Ca 0.23 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1xhf h LYS 89 Cb 0.27 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1xhf h LYS 89 CO -0.01 -0.06 0.11 0.82 -2.27 0.00 0.00 179.45 178.04 1xhf h ILE 90 N -0.09 1.25 -0.22 2.00 1.08 -0.95 -1.83 117.51 118.74 1xhf h ILE 90 Ca -0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1xhf h ILE 90 Cb 0.08 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1xhf h ILE 90 CO -0.00 0.33 0.14 -0.07 -0.69 0.00 0.00 178.15 177.86 1xhf h LEU 91 N 0.78 0.24 -0.63 1.44 3.38 -0.80 0.11 115.31 119.83 1xhf h LEU 91 Ca 0.17 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1xhf h LEU 91 Cb 0.37 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1xhf h LEU 91 CO 0.01 0.17 0.36 1.23 0.09 0.00 0.00 178.44 180.30 1xhf h GLY 92 N 0.29 0.91 0.75 0.83 0.00 -0.40 0.17 103.07 105.62 1xhf h GLY 92 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1xhf h GLY 92 CO -0.03 0.19 -0.02 1.41 0.00 0.00 0.00 176.54 178.09 1xhf h LEU 93 N 0.70 0.25 -0.83 3.11 3.38 -1.20 -2.38 115.31 118.34 1xhf h LEU 93 Ca 0.27 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.99 1xhf h LEU 93 Cb 0.10 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1xhf h LEU 93 CO -0.14 0.55 0.46 -0.08 0.09 0.00 0.00 178.44 179.31 1xhf h GLU 94 N -0.04 0.72 0.00 1.13 4.57 -0.43 0.81 114.58 121.34 1xhf h GLU 94 Ca 0.04 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1xhf h GLU 94 Cb 0.43 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1xhf h GLU 94 CO 0.01 0.48 -0.01 0.82 -1.18 0.00 0.00 179.01 179.13 1xhf h ILE 95 N 0.74 0.12 0.00 2.32 2.04 -0.60 -3.45 117.51 118.68 1xhf h ILE 95 Ca 0.41 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1xhf h ILE 95 Cb 0.44 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1xhf h ILE 95 CO -0.28 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.49 1xhf n GLY 96 N -0.95 1.64 3.77 5.37 0.00 0.28 -4.82 105.19 110.47 1xhf n GLY 96 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1xhf n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhf s ALA 97 N -2.00 3.48 0.00 4.61 0.00 -0.91 -4.88 121.76 122.07 1xhf s ALA 97 Ca 0.00 1.28 0.23 0.00 0.00 0.00 0.00 51.96 53.47 1xhf s ALA 97 Cb 0.00 -3.49 0.73 0.00 0.00 0.00 0.00 23.12 20.36 1xhf s ALA 97 CO 0.00 -0.68 1.74 -0.44 0.00 0.00 0.00 175.76 176.38 1xhf h ASP 98 N 3.30 0.00 -5.12 0.00 5.19 -1.28 -3.42 116.42 115.09 1xhf h ASP 98 Ca -0.49 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1xhf h ASP 98 Cb 1.23 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1xhf h ASP 98 CO 0.65 0.22 0.04 -0.62 -3.12 0.00 0.00 179.24 176.42 1xhf s ASP 99 N -6.19 -0.20 -0.17 6.45 3.68 -1.13 -5.05 116.67 114.06 1xhf s ASP 99 Ca 0.02 -0.69 -0.04 0.00 2.13 0.00 0.00 52.55 53.97 1xhf s ASP 99 Cb 0.09 0.63 0.08 0.00 -1.45 0.00 0.00 42.92 42.27 1xhf s ASP 99 CO 0.65 -1.18 0.25 -0.47 0.13 0.00 0.00 175.17 174.55 1xhf s TYR 100 N -3.94 -0.37 -0.05 -5.34 5.04 -1.26 -1.81 117.35 109.62 1xhf s TYR 100 Ca 0.15 0.56 0.05 0.00 -2.44 0.00 0.00 57.07 55.39 1xhf s TYR 100 Cb -0.02 -0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 1xhf s TYR 100 CO 0.05 -0.51 -0.21 0.42 -1.34 0.00 0.00 175.55 173.96 1xhf s ILE 101 N 2.38 1.75 0.06 3.14 1.01 0.47 -4.96 121.20 125.05 1xhf s ILE 101 Ca 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1xhf s ILE 101 Cb -0.14 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1xhf s ILE 101 CO -0.11 0.49 0.30 0.42 0.00 0.00 0.00 174.94 176.04 1xhf s THR 102 N -0.08 5.27 0.03 2.92 -4.23 -1.26 -1.64 115.64 116.65 1xhf s THR 102 Ca -0.03 0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 60.31 1xhf s THR 102 Cb -0.13 -3.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 1xhf s THR 102 CO 0.03 0.22 0.60 -0.54 -0.54 0.00 0.00 174.62 174.40 1xhf s LYS 103 N -2.17 4.30 0.54 3.99 1.02 -0.47 -3.44 119.74 123.52 1xhf s LYS 103 Ca 0.33 0.77 -0.12 0.00 0.02 0.00 0.00 55.97 56.97 1xhf s LYS 103 Cb -0.13 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1xhf s LYS 103 CO 0.21 0.46 0.96 -1.25 -0.92 0.00 0.00 175.35 174.81 1xhf s PRO 104 N -0.53 3.73 0.14 -1.68 0.04 -1.26 -4.61 135.00 130.83 1xhf s PRO 104 Ca 0.31 0.72 0.06 0.00 0.04 0.00 0.00 61.00 62.12 1xhf s PRO 104 Cb -0.19 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1xhf s PRO 104 CO 0.19 -0.36 -0.12 -0.59 0.04 0.00 0.00 177.00 176.15 1xhf s PHE 105 N -2.85 1.38 -0.21 0.56 -0.71 -1.22 -5.11 117.98 109.81 1xhf s PHE 105 Ca 0.55 -0.64 -0.25 0.00 -1.04 0.00 0.00 56.93 55.55 1xhf s PHE 105 Cb -0.10 -0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 41.00 1xhf s PHE 105 CO 0.43 0.15 0.85 1.21 -1.34 0.00 0.00 175.22 176.51 1xhf s ASN 106 N -2.86 6.90 0.41 1.98 3.84 -1.26 -4.97 114.94 118.99 1xhf s ASN 106 Ca 0.14 1.11 0.09 0.00 0.21 0.00 0.00 52.86 54.41 1xhf s ASN 106 Cb -0.01 -2.45 0.88 0.00 -0.55 0.00 0.00 41.25 39.12 1xhf s ASN 106 CO 0.03 -0.48 2.02 -0.65 -2.79 0.00 0.00 177.10 175.22 1xhf h PRO 107 N 7.53 0.39 -0.60 0.43 0.11 -1.99 -1.56 132.00 136.32 1xhf h PRO 107 Ca -0.25 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1xhf h PRO 107 Cb 1.10 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1xhf h PRO 107 CO 0.87 0.33 0.18 0.00 -0.21 0.00 0.00 178.00 179.16 1xhf h ARG 108 N 0.40 0.91 -0.28 1.05 2.47 -1.99 -1.36 114.38 115.57 1xhf h ARG 108 Ca 0.10 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 1xhf h ARG 108 Cb 0.08 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1xhf h ARG 108 CO -0.01 0.79 -0.02 1.49 0.56 0.00 0.00 179.97 182.77 1xhf h GLU 109 N 0.88 0.51 -0.20 0.04 4.81 -1.72 -1.07 114.58 117.82 1xhf h GLU 109 Ca 0.20 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1xhf h GLU 109 Cb 0.27 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1xhf h GLU 109 CO -0.01 0.68 -0.05 1.25 -0.73 0.00 0.00 179.01 180.16 1xhf h LEU 110 N 0.29 -0.19 -0.60 1.64 5.85 -1.24 -1.82 115.31 119.24 1xhf h LEU 110 Ca 0.08 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1xhf h LEU 110 Cb 0.47 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1xhf h LEU 110 CO 0.02 -0.07 -0.63 0.71 -0.34 0.00 0.00 178.44 178.13 1xhf h THR 111 N 0.00 1.34 -0.12 1.05 1.35 -1.09 -1.57 112.91 113.87 1xhf h THR 111 Ca 0.10 -2.26 -0.23 0.00 -0.55 0.00 0.00 66.41 63.47 1xhf h THR 111 Cb 0.15 2.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1xhf h THR 111 CO -0.21 0.62 -0.80 0.40 -0.25 0.00 0.00 175.52 175.28 1xhf h ILE 112 N 0.00 1.28 -0.78 6.82 2.04 -1.12 -1.01 117.51 124.75 1xhf h ILE 112 Ca -0.01 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1xhf h ILE 112 Cb 1.21 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 1xhf h ILE 112 CO 0.08 0.63 0.49 0.03 0.00 0.00 0.00 178.15 179.39 1xhf h ARG 113 N 0.49 1.04 -0.24 2.37 3.08 -1.26 0.40 114.38 120.25 1xhf h ARG 113 Ca -0.07 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xhf h ARG 113 Cb 1.44 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1xhf h ARG 113 CO 0.16 0.71 0.14 0.00 -1.07 0.00 0.00 179.97 179.92 1xhf h ALA 114 N 1.27 0.30 -0.18 0.04 0.00 -1.24 -0.51 119.26 118.94 1xhf h ALA 114 Ca 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xhf h ALA 114 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xhf h ALA 114 CO -0.06 -0.20 0.10 -0.09 0.00 0.00 0.00 179.25 179.01 1xhf h ARG 115 N 0.29 0.24 -0.83 0.00 2.43 -0.82 0.21 114.38 115.91 1xhf h ARG 115 Ca 0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1xhf h ARG 115 Cb 0.02 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1xhf h ARG 115 CO -0.02 0.23 0.37 -0.91 -1.51 0.00 0.00 179.97 178.13 1xhf h ASN 116 N 0.19 1.12 -0.38 -3.80 2.35 -0.81 -0.63 115.58 113.62 1xhf h ASN 116 Ca 0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1xhf h ASN 116 Cb 0.05 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1xhf h ASN 116 CO -0.01 0.96 0.14 0.25 -1.65 0.00 0.00 177.43 177.12 1xhf h LEU 117 N 1.20 0.52 -1.01 1.61 5.85 -0.74 -2.23 115.31 120.52 1xhf h LEU 117 Ca 0.28 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1xhf h LEU 117 Cb 0.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1xhf h LEU 117 CO -0.03 0.56 0.28 -0.07 -0.34 0.00 0.00 178.44 178.84 1xhf h LEU 118 N 0.46 0.91 -1.41 2.25 3.38 -0.34 -1.14 115.31 119.43 1xhf h LEU 118 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xhf h LEU 118 Cb 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xhf h LEU 118 CO -0.01 0.80 0.32 0.28 0.09 0.00 0.00 178.44 179.93 1xhf h SER 119 N 0.98 0.63 1.47 -0.43 0.02 -0.92 -2.15 113.55 113.16 1xhf h SER 119 Ca 0.23 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 1xhf h SER 119 Cb 0.17 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1xhf h SER 119 CO -0.02 0.49 -0.36 0.03 -1.14 0.00 0.00 176.83 175.83 1xhf h ARG 120 N 0.73 0.00 -0.01 3.45 2.47 -0.70 -3.51 114.38 116.81 1xhf h ARG 120 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1xhf h ARG 120 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1xhf h ARG 120 CO -0.04 0.36 0.00 0.25 0.56 0.00 0.00 179.97 181.10