#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 5.12 0.28 5.09 -1.32 -1.26 -5.02 115.64 118.53 1xhf s THR 3 Ca 0.00 1.11 -0.30 0.00 -1.21 0.00 0.00 61.69 61.29 1xhf s THR 3 Cb 0.00 -3.89 -0.11 0.00 -1.51 0.00 0.00 72.50 66.99 1xhf s THR 3 CO 0.00 0.32 1.56 -2.84 -2.21 0.00 0.00 174.62 171.45 1xhf s PRO 4 N 0.57 4.16 -0.30 7.08 0.02 -1.26 -4.81 135.00 140.46 1xhf s PRO 4 Ca 0.29 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 1xhf s PRO 4 Cb -0.16 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1xhf s PRO 4 CO 0.13 -0.59 0.16 -1.01 -0.33 0.00 0.00 177.00 175.36 1xhf s HIS 5 N 0.04 3.18 -0.19 6.54 3.76 -1.26 -1.79 115.29 125.56 1xhf s HIS 5 Ca 0.63 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 55.05 1xhf s HIS 5 Cb -0.46 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1xhf s HIS 5 CO 0.46 -0.39 0.07 0.42 -0.85 0.00 0.00 174.74 174.45 1xhf s ILE 6 N 1.65 4.78 -0.30 0.60 -1.09 -0.28 -0.09 121.20 126.47 1xhf s ILE 6 Ca 0.05 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.34 1xhf s ILE 6 Cb -0.17 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1xhf s ILE 6 CO 0.07 0.45 0.16 -0.22 -1.23 0.00 0.00 174.94 174.17 1xhf s LEU 7 N 0.47 4.04 -0.26 2.97 2.96 0.57 0.02 118.68 129.46 1xhf s LEU 7 Ca 0.03 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1xhf s LEU 7 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1xhf s LEU 7 CO 0.01 -0.14 0.12 -0.63 -1.32 0.00 0.00 176.35 174.38 1xhf s ILE 8 N 1.67 4.73 -0.41 6.68 1.01 0.52 -0.76 121.20 134.65 1xhf s ILE 8 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1xhf s ILE 8 Cb -0.16 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.17 1xhf s ILE 8 CO 0.08 0.32 0.22 -0.69 0.00 0.00 0.00 174.94 174.86 1xhf s VAL 9 N 1.57 3.88 -0.27 2.92 1.01 0.14 -1.28 120.40 128.38 1xhf s VAL 9 Ca 0.06 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 1xhf s VAL 9 Cb -0.15 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 32.89 1xhf s VAL 9 CO 0.06 -0.51 0.64 -0.70 0.00 0.00 0.00 175.10 174.59 1xhf s GLU 10 N 1.34 0.63 -0.00 2.72 2.56 -0.43 -1.15 118.70 124.37 1xhf s GLU 10 Ca 0.03 1.23 0.21 0.00 0.00 0.00 0.00 54.97 56.45 1xhf s GLU 10 Cb -0.23 0.30 -0.17 0.00 2.00 0.00 0.00 34.13 36.02 1xhf s GLU 10 CO 0.00 -0.17 0.92 -0.40 -0.56 0.00 0.00 175.26 175.05 1xhf n ASP 11 N 4.61 0.90 -4.58 -1.70 3.85 -1.26 -4.42 116.55 113.95 1xhf n ASP 11 Ca -0.18 -0.87 -0.42 0.00 -0.71 0.00 0.00 54.79 52.61 1xhf n ASP 11 Cb 0.56 0.99 -0.06 0.00 -1.35 0.00 0.00 41.12 41.26 1xhf n ASP 11 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xhf s GLU 12 N -3.03 3.74 0.39 0.11 2.02 -1.26 -4.95 118.70 115.72 1xhf s GLU 12 Ca 0.07 0.15 0.19 0.00 0.02 0.00 0.00 54.97 55.40 1xhf s GLU 12 Cb 0.16 -3.79 0.79 0.00 0.10 0.00 0.00 34.13 31.39 1xhf s GLU 12 CO 0.86 -0.72 1.79 1.37 0.02 0.00 0.00 175.26 178.58 1xhf h LEU 13 N 9.38 0.00 -0.08 1.80 -0.00 -1.98 0.20 115.31 124.62 1xhf h LEU 13 Ca -0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.56 1xhf h LEU 13 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1xhf h LEU 13 CO 0.84 0.34 -0.18 0.58 -0.00 0.00 0.00 178.44 180.02 1xhf h VAL 14 N 0.00 1.40 -0.49 0.15 2.07 -1.99 0.62 116.25 118.01 1xhf h VAL 14 Ca -0.00 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.12 1xhf h VAL 14 Cb 0.79 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 1xhf h VAL 14 CO 0.04 0.42 0.06 0.74 0.02 0.00 0.00 177.57 178.85 1xhf h THR 15 N -0.19 0.67 -0.32 2.57 2.02 -1.94 -1.55 112.91 114.18 1xhf h THR 15 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1xhf h THR 15 Cb 0.77 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1xhf h THR 15 CO 0.04 0.03 -0.19 -0.09 0.37 0.00 0.00 175.52 175.68 1xhf h ARG 16 N 0.18 0.59 -0.52 6.66 2.43 -0.80 -0.47 114.38 122.44 1xhf h ARG 16 Ca 0.25 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1xhf h ARG 16 Cb 0.35 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1xhf h ARG 16 CO -0.36 0.75 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.87 1xhf h ASN 17 N 0.52 0.97 -0.47 -3.80 2.35 -0.56 -0.06 115.58 114.52 1xhf h ASN 17 Ca 0.08 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1xhf h ASN 17 Cb 0.63 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1xhf h ASN 17 CO 0.04 1.07 0.24 0.74 -1.65 0.00 0.00 177.43 177.88 1xhf h THR 18 N 0.84 1.18 -0.64 2.81 2.02 -0.99 -1.71 112.91 116.42 1xhf h THR 18 Ca 0.14 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1xhf h THR 18 Cb 0.62 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1xhf h THR 18 CO 0.04 0.20 0.34 -0.07 0.37 0.00 0.00 175.52 176.40 1xhf h LEU 19 N 0.62 0.81 -1.76 2.58 3.38 -0.94 0.97 115.31 120.97 1xhf h LEU 19 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xhf h LEU 19 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1xhf h LEU 19 CO -0.02 0.69 0.13 0.50 0.09 0.00 0.00 178.44 179.83 1xhf h LYS 20 N 0.88 0.29 0.11 1.13 3.64 -0.77 -0.01 116.57 121.84 1xhf h LYS 20 Ca 0.23 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.24 1xhf h LYS 20 Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1xhf h LYS 20 CO -0.03 0.20 -1.90 0.66 -2.27 0.00 0.00 179.45 176.11 1xhf h SER 21 N 0.30 0.37 -0.53 4.20 4.64 -0.78 -2.06 113.55 119.68 1xhf h SER 21 Ca 0.08 -0.77 0.11 0.00 -0.47 0.00 0.00 61.79 60.73 1xhf h SER 21 Cb -0.01 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 61.86 1xhf h SER 21 CO -0.02 1.69 -0.05 0.40 -0.87 0.00 0.00 176.83 177.99 1xhf h ILE 22 N 0.06 0.54 0.00 0.95 2.04 -0.70 -0.23 117.51 120.17 1xhf h ILE 22 Ca -0.38 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 1xhf h ILE 22 Cb 2.04 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1xhf h ILE 22 CO 0.10 0.01 -0.70 -0.26 0.00 0.00 0.00 178.15 177.30 1xhf h PHE 23 N 0.07 0.00 -0.51 1.37 0.04 -1.04 -3.10 116.94 113.77 1xhf h PHE 23 Ca 0.27 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.91 1xhf h PHE 23 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1xhf h PHE 23 CO -0.37 0.70 -0.18 0.93 -0.60 0.00 0.00 178.31 178.80 1xhf h GLU 24 N 0.00 1.02 0.00 1.51 5.08 -1.12 -1.54 114.58 119.53 1xhf h GLU 24 Ca -0.01 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xhf h GLU 24 Cb 1.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1xhf h GLU 24 CO 0.09 1.10 0.08 0.00 -1.00 0.00 0.00 179.01 179.28 1xhf n ALA 25 N -2.51 0.86 1.11 3.43 0.00 -0.12 0.90 120.51 124.18 1xhf n ALA 25 Ca 0.01 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1xhf n ALA 25 Cb 0.44 -0.89 0.17 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.54 1.73 -0.95 0.00 -0.58 -0.62 -4.97 120.64 113.71 1xhf n GLU 26 Ca -0.00 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1xhf n GLU 26 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.34 0.52 3.87 0.62 0.00 0.26 -5.04 105.19 106.76 1xhf n GLY 27 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 3.46 -0.07 1.61 2.02 -0.93 -4.78 117.35 116.66 1xhf s TYR 28 Ca 0.00 1.05 -0.26 0.00 -0.37 0.00 0.00 57.07 57.49 1xhf s TYR 28 Cb 0.00 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 1xhf s TYR 28 CO 0.00 -0.09 0.81 -0.51 -1.57 0.00 0.00 175.55 174.19 1xhf s ASP 29 N -3.11 7.10 -0.20 2.29 1.01 -0.74 -4.39 116.67 118.63 1xhf s ASP 29 Ca 0.51 1.33 -0.03 0.00 0.71 0.00 0.00 52.55 55.08 1xhf s ASP 29 Cb -0.10 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1xhf s ASP 29 CO 0.31 -0.22 -0.07 -0.69 0.21 0.00 0.00 175.17 174.71 1xhf s VAL 30 N 1.14 3.25 0.07 -1.27 1.01 -1.26 -1.13 120.40 122.21 1xhf s VAL 30 Ca 0.42 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1xhf s VAL 30 Cb -0.18 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1xhf s VAL 30 CO 0.20 0.45 0.10 -0.36 0.00 0.00 0.00 175.10 175.49 1xhf s PHE 31 N 1.28 3.26 -0.01 5.22 0.08 0.10 -4.98 117.98 122.93 1xhf s PHE 31 Ca 0.03 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1xhf s PHE 31 Cb -0.14 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1xhf s PHE 31 CO -0.03 0.54 -0.13 -1.21 -0.10 0.00 0.00 175.22 174.29 1xhf s GLU 32 N -2.36 1.07 -0.05 0.44 2.02 -1.26 -0.35 118.70 118.21 1xhf s GLU 32 Ca 0.30 -0.46 -0.09 0.00 0.02 0.00 0.00 54.97 54.74 1xhf s GLU 32 Cb -0.12 -1.03 0.02 0.00 0.10 0.00 0.00 34.13 33.09 1xhf s GLU 32 CO 0.22 0.27 0.22 0.00 0.02 0.00 0.00 175.26 175.99 1xhf s ALA 33 N -0.28 -0.53 -1.34 5.21 0.00 -0.40 -4.94 121.76 119.47 1xhf s ALA 33 Ca 0.05 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.51 1xhf s ALA 33 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1xhf s ALA 33 CO -0.00 -0.16 0.80 0.25 0.00 0.00 0.00 175.76 176.64 1xhf n THR 34 N 2.22 0.00 -3.73 0.00 -2.24 -1.26 -1.31 114.28 107.96 1xhf n THR 34 Ca -0.17 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.18 1xhf n THR 34 Cb 0.57 1.18 0.03 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.10 -2.01 -0.07 3.42 3.85 -1.26 -4.27 116.55 116.12 1xhf n ASP 35 Ca 0.06 -2.35 -0.12 0.00 -0.71 0.00 0.00 54.79 51.67 1xhf n ASP 35 Cb 0.31 3.33 0.01 0.00 -1.35 0.00 0.00 41.12 43.42 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 1.78 0.86 0.86 6.12 0.00 -1.87 -3.03 103.07 107.79 1xhf h GLY 36 Ca -0.29 -0.92 0.02 0.00 0.00 0.00 0.00 47.33 46.14 1xhf h GLY 36 CO 0.38 0.83 0.25 0.00 0.00 0.00 0.00 176.54 178.00 1xhf h ALA 37 N 0.85 0.55 0.00 3.60 0.00 -1.97 -0.24 119.26 122.05 1xhf h ALA 37 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xhf h ALA 37 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xhf h ALA 37 CO 0.10 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1xhf n GLU 38 N -4.86 0.44 0.00 0.00 1.02 -1.15 -2.31 120.64 113.79 1xhf n GLU 38 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1xhf n GLU 38 Cb 0.08 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.80 0.00 -0.21 -0.32 8.25 -0.10 -1.40 115.22 122.24 1xhf n HIS 40 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1xhf n HIS 40 Cb 0.22 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1xhf n HIS 40 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1xhf h GLN 41 N 0.00 0.91 -0.23 -0.41 4.20 -1.71 -1.85 115.11 116.03 1xhf h GLN 41 Ca 0.00 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.40 1xhf h GLN 41 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xhf h GLN 41 CO 0.00 0.79 -0.41 0.82 -0.67 0.00 0.00 178.83 179.36 1xhf h ILE 42 N 0.84 1.30 -0.52 2.54 2.04 -1.52 -2.56 117.51 119.63 1xhf h ILE 42 Ca 0.20 -1.58 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 1xhf h ILE 42 Cb 0.23 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1xhf h ILE 42 CO -0.01 0.50 0.10 -0.07 0.00 0.00 0.00 178.15 178.66 1xhf h LEU 43 N 0.45 0.77 -0.75 1.44 3.38 -1.78 -1.21 115.31 117.60 1xhf h LEU 43 Ca 0.04 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1xhf h LEU 43 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xhf h LEU 43 CO 0.08 0.77 -0.51 0.28 0.09 0.00 0.00 178.44 179.15 1xhf h SER 44 N 0.78 0.00 0.22 -0.43 0.02 -1.20 -3.35 113.55 109.58 1xhf h SER 44 Ca 0.17 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.88 1xhf h SER 44 Cb 0.33 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1xhf h SER 44 CO 0.00 0.51 -2.00 -0.62 -1.14 0.00 0.00 176.83 173.58 1xhf n GLU 45 N -3.60 0.66 -4.42 3.45 -0.58 -0.98 -5.00 120.64 110.18 1xhf n GLU 45 Ca -0.00 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.56 1xhf n GLU 45 Cb 0.59 -1.62 -0.10 0.00 -0.57 0.00 0.00 31.44 29.74 1xhf n GLU 45 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1xhf s TYR 46 N -2.83 1.90 -0.44 -0.32 2.02 -0.47 -5.10 117.35 112.11 1xhf s TYR 46 Ca -0.07 -0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 55.59 1xhf s TYR 46 Cb 0.09 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1xhf s TYR 46 CO 0.84 0.12 0.56 -0.51 -1.57 0.00 0.00 175.55 174.98 1xhf s ASP 47 N -3.44 6.26 -0.16 2.29 1.11 -1.26 -4.66 116.67 116.80 1xhf s ASP 47 Ca 0.32 -0.57 -0.04 0.00 0.18 0.00 0.00 52.55 52.44 1xhf s ASP 47 Cb 0.06 -2.28 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 1xhf s ASP 47 CO 0.13 -0.72 -0.02 -0.63 1.18 0.00 0.00 175.17 175.11 1xhf s ILE 48 N 2.51 4.03 -0.08 0.77 -1.09 -1.26 -4.55 121.20 121.53 1xhf s ILE 48 Ca 0.17 -0.31 0.21 0.00 -2.23 0.00 0.00 60.65 58.49 1xhf s ILE 48 Cb -0.16 -2.77 -0.30 0.00 -1.58 0.00 0.00 42.46 37.65 1xhf s ILE 48 CO 0.16 0.49 0.44 0.59 -1.23 0.00 0.00 174.94 175.39 1xhf n ASN 49 N 3.47 0.07 -3.72 3.58 4.13 0.87 -4.93 115.26 118.72 1xhf n ASN 49 Ca -0.17 0.03 -0.12 0.00 1.68 0.00 0.00 54.58 55.99 1xhf n ASN 49 Cb 0.52 1.67 -0.11 0.00 -1.54 0.00 0.00 39.78 40.33 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 -4.79 0.27 -0.17 3.41 2.96 -1.09 -3.77 118.68 115.50 1xhf s LEU 50 Ca -0.08 0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1xhf s LEU 50 Cb 0.12 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 48.10 1xhf s LEU 50 CO 0.89 -0.16 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.99 1xhf s VAL 51 N 0.73 3.38 0.48 1.68 1.01 -0.16 -0.31 120.40 127.21 1xhf s VAL 51 Ca -0.04 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1xhf s VAL 51 Cb -0.05 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1xhf s VAL 51 CO -0.05 0.48 0.51 -0.63 0.00 0.00 0.00 175.10 175.41 1xhf s ILE 52 N 0.76 2.38 0.08 2.22 -1.09 0.06 -4.30 121.20 121.31 1xhf s ILE 52 Ca -0.03 -1.24 -0.11 0.00 -2.23 0.00 0.00 60.65 57.04 1xhf s ILE 52 Cb -0.15 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.12 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 -4.32 0.00 -0.27 3.58 2.15 -0.30 -0.68 116.67 116.83 1xhf s ASP 54 Ca 0.49 -0.49 -0.15 0.00 0.43 0.00 0.00 52.55 52.84 1xhf s ASP 54 Cb -0.05 0.36 -0.13 0.00 -0.30 0.00 0.00 42.92 42.81 1xhf s ASP 54 CO 0.30 -0.72 -0.28 -0.38 -0.17 0.00 0.00 175.17 173.92 1xhf n ILE 55 N 0.08 1.53 -2.75 4.11 5.41 -1.26 -3.81 119.36 122.67 1xhf n ILE 55 Ca -0.16 -0.34 -0.43 0.00 1.00 0.00 0.00 62.75 62.82 1xhf n ILE 55 Cb 0.62 -1.90 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 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 -7.42 6.56 0.25 4.38 0.01 -1.26 -0.50 114.94 116.97 1xhf s ASN 56 Ca -0.38 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 1xhf s ASN 56 Cb 0.14 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1xhf s ASN 56 CO 0.50 -1.10 0.06 -0.76 -1.51 0.00 0.00 177.10 174.30 1xhf s LEU 57 N 3.95 1.88 0.16 0.60 1.43 -1.26 -4.72 118.68 120.72 1xhf s LEU 57 Ca 0.41 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 51.89 1xhf s LEU 57 Cb -0.09 -0.10 -0.07 0.00 0.03 0.00 0.00 46.19 45.96 1xhf s LEU 57 CO 0.27 -0.65 1.02 -2.84 0.23 0.00 0.00 176.35 174.38 1xhf s PRO 58 N -3.97 4.68 2.89 1.29 0.02 -1.26 -4.75 135.00 133.91 1xhf s PRO 58 Ca 0.34 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1xhf s PRO 58 Cb 0.07 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1xhf s PRO 58 CO 0.11 0.20 0.00 0.41 -0.33 0.00 0.00 177.00 177.40 1xhf n GLY 59 N 2.04 0.20 3.77 0.52 0.00 -1.26 -4.73 105.19 105.73 1xhf n GLY 59 Ca 0.02 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 4.10 0.66 1.61 1.02 -1.26 -4.99 119.74 120.88 1xhf s LYS 60 Ca 0.00 2.30 -0.13 0.00 0.02 0.00 0.00 55.97 58.16 1xhf s LYS 60 Cb 0.00 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1xhf s LYS 60 CO 0.00 -0.44 1.07 0.54 -0.92 0.00 0.00 175.35 175.60 1xhf s ASN 61 N -0.49 5.42 0.54 2.83 2.20 -1.26 -4.58 114.94 119.60 1xhf s ASN 61 Ca 0.54 1.76 0.29 0.00 -0.94 0.00 0.00 52.86 54.51 1xhf s ASN 61 Cb -0.41 -2.52 1.55 0.00 -2.00 0.00 0.00 41.25 37.87 1xhf s ASN 61 CO 0.54 -1.41 2.10 1.23 -2.94 0.00 0.00 177.10 176.62 1xhf h GLY 62 N -0.20 0.00 0.83 0.45 0.00 -0.89 -1.21 103.07 102.05 1xhf h GLY 62 Ca -0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1xhf h GLY 62 CO 0.56 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 178.49 1xhf h LEU 63 N 0.00 0.41 -0.50 3.11 3.38 -1.83 -0.51 115.31 119.36 1xhf h LEU 63 Ca -0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1xhf h LEU 63 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xhf h LEU 63 CO 0.01 0.64 0.15 0.25 0.09 0.00 0.00 178.44 179.58 1xhf h LEU 64 N 0.17 0.74 -0.99 1.67 5.85 -1.81 -1.34 115.31 119.60 1xhf h LEU 64 Ca 0.06 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1xhf h LEU 64 Cb 0.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1xhf h LEU 64 CO 0.02 0.76 0.31 -0.07 -0.34 0.00 0.00 178.44 179.12 1xhf h LEU 65 N 0.69 0.94 -0.77 2.25 3.38 -1.19 -1.09 115.31 119.52 1xhf h LEU 65 Ca 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xhf h LEU 65 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xhf h LEU 65 CO -0.00 0.82 0.33 0.00 0.09 0.00 0.00 178.44 179.68 1xhf h ALA 66 N 1.32 0.99 -0.28 1.53 0.00 -0.86 0.35 119.26 122.31 1xhf h ALA 66 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xhf h ALA 66 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xhf h ALA 66 CO -0.03 0.59 0.12 -0.09 0.00 0.00 0.00 179.25 179.85 1xhf h ARG 67 N 1.10 0.42 -0.27 0.00 2.43 -0.65 0.83 114.38 118.24 1xhf h ARG 67 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1xhf h ARG 67 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xhf h ARG 67 CO -0.03 0.43 0.18 0.93 -1.51 0.00 0.00 179.97 179.97 1xhf h GLU 68 N 0.31 0.35 -0.60 0.20 5.08 -1.10 -2.61 114.58 116.21 1xhf h GLU 68 Ca 0.10 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xhf h GLU 68 Cb 0.16 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1xhf h GLU 68 CO -0.01 0.23 0.31 1.25 -1.00 0.00 0.00 179.01 179.80 1xhf h LEU 69 N 0.36 0.45 -2.09 1.33 5.85 -0.72 -2.21 115.31 118.28 1xhf h LEU 69 Ca 0.10 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xhf h LEU 69 Cb -0.04 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1xhf h LEU 69 CO -0.02 0.29 -0.03 0.03 -0.34 0.00 0.00 178.44 178.38 1xhf h ARG 70 N 0.59 0.00 0.00 1.25 2.47 -0.49 0.92 114.38 119.12 1xhf h ARG 70 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1xhf h ARG 70 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1xhf h ARG 70 CO -0.19 0.03 0.00 0.93 0.56 0.00 0.00 179.97 181.30 1xhf h GLU 71 N 0.00 0.00 0.00 0.04 5.08 -1.04 -3.31 114.58 115.35 1xhf h GLU 71 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xhf h GLU 71 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xhf h GLU 71 CO 0.00 0.00 -1.12 1.04 -1.00 0.00 0.00 179.01 177.93 1xhf n GLN 72 N -2.40 1.48 -3.59 2.33 3.00 0.05 -5.08 117.38 113.18 1xhf n GLN 72 Ca 0.05 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 1xhf n GLN 72 Cb 0.43 -1.15 -0.06 0.00 0.00 0.00 0.00 30.24 29.46 1xhf n GLN 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xhf s ALA 73 N -2.44 -1.86 -2.17 -1.58 0.00 0.10 -5.03 121.76 108.79 1xhf s ALA 73 Ca -0.01 1.68 0.21 0.00 0.00 0.00 0.00 51.96 53.84 1xhf s ALA 73 Cb 0.07 -0.78 0.55 0.00 0.00 0.00 0.00 23.12 22.95 1xhf s ALA 73 CO 0.42 -0.32 1.46 0.09 0.00 0.00 0.00 175.76 177.41 1xhf n ASN 74 N 1.60 3.36 -4.46 0.00 3.02 -1.26 -4.19 115.26 113.32 1xhf n ASN 74 Ca -0.14 -1.98 -0.44 0.00 -0.03 0.00 0.00 54.58 52.00 1xhf n ASN 74 Cb 0.56 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 1xhf n ASN 74 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1xhf n VAL 75 N 1.36 1.77 -1.70 2.41 3.14 -1.26 -4.87 118.33 119.18 1xhf n VAL 75 Ca 0.21 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.65 1xhf n VAL 75 Cb 0.55 -0.48 -0.02 0.00 -1.06 0.00 0.00 33.84 32.83 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 -0.48 1.70 -2.46 1.55 0.00 -1.25 -4.90 120.51 114.67 1xhf n ALA 76 Ca 0.12 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 1xhf n ALA 76 Cb 0.35 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.07 1.45 -0.00 0.00 2.96 -1.26 -0.99 118.68 120.78 1xhf s LEU 77 Ca 0.67 -1.63 0.06 0.00 -0.22 0.00 0.00 54.13 53.01 1xhf s LEU 77 Cb -0.59 0.81 -0.02 0.00 0.50 0.00 0.00 46.19 46.90 1xhf s LEU 77 CO 0.48 -1.10 -0.18 -0.36 -1.32 0.00 0.00 176.35 173.87 1xhf s PHE 79 N -3.43 1.62 -0.17 5.38 0.40 -0.54 -0.40 117.98 120.84 1xhf s PHE 79 Ca 0.37 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1xhf s PHE 79 Cb 0.02 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.59 1xhf s PHE 79 CO 0.24 -0.00 0.09 -1.17 0.70 0.00 0.00 175.22 175.08 1xhf s LEU 80 N -0.59 0.32 -0.12 -0.37 2.96 -1.25 0.03 118.68 119.66 1xhf s LEU 80 Ca 0.07 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.14 1xhf s LEU 80 Cb -0.07 -0.22 0.06 0.00 0.50 0.00 0.00 46.19 46.46 1xhf s LEU 80 CO -0.00 -0.35 0.61 0.28 -1.32 0.00 0.00 176.35 175.57 1xhf s THR 81 N 2.15 0.01 -2.00 3.68 -1.32 -0.43 -3.84 115.64 113.89 1xhf s THR 81 Ca 0.02 -0.07 0.17 0.00 -1.21 0.00 0.00 61.69 60.60 1xhf s THR 81 Cb -0.16 -0.90 0.47 0.00 -1.51 0.00 0.00 72.50 70.40 1xhf s THR 81 CO -0.09 -0.04 1.47 0.61 -2.21 0.00 0.00 174.62 174.36 1xhf n GLY 82 N 1.65 -0.74 3.42 6.08 0.00 -1.26 -1.35 105.19 112.99 1xhf n GLY 82 Ca -0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1xhf n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhf n ARG 83 N -0.85 2.95 -2.63 1.61 5.12 -1.26 -4.85 116.66 116.75 1xhf n ARG 83 Ca 0.12 -3.05 -0.43 0.00 -1.93 0.00 0.00 57.85 52.56 1xhf n ARG 83 Cb 0.06 -3.47 0.00 0.00 -1.16 0.00 0.00 32.46 27.89 1xhf n ARG 83 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1xhf n ASP 84 N 8.54 5.26 -3.97 0.55 4.64 -1.26 -4.62 116.55 125.68 1xhf n ASP 84 Ca 0.49 -3.09 -0.08 0.00 -1.38 0.00 0.00 54.79 50.73 1xhf n ASP 84 Cb 0.45 -1.49 -0.09 0.00 -1.04 0.00 0.00 41.12 38.95 1xhf n ASP 84 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1xhf s ASN 85 N 1.30 0.28 0.20 1.67 2.20 -1.26 -5.06 114.94 114.27 1xhf s ASN 85 Ca 0.40 -0.74 -0.00 0.00 -0.94 0.00 0.00 52.86 51.57 1xhf s ASN 85 Cb 0.04 0.25 0.15 0.00 -2.00 0.00 0.00 41.25 39.69 1xhf s ASN 85 CO 0.01 -0.60 1.51 -0.08 -2.94 0.00 0.00 177.10 175.00 1xhf h GLU 86 N 3.24 0.42 -0.01 3.55 4.57 -2.00 -2.50 114.58 121.85 1xhf h GLU 86 Ca -0.33 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.56 1xhf h GLU 86 Cb 1.17 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1xhf h GLU 86 CO 0.58 0.89 0.00 0.28 -1.18 0.00 0.00 179.01 179.58 1xhf h VAL 87 N 0.31 1.08 -0.21 0.32 2.07 -1.97 -1.67 116.25 116.19 1xhf h VAL 87 Ca -0.00 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1xhf h VAL 87 Cb 1.13 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1xhf h VAL 87 CO 0.10 0.07 -0.43 0.44 0.02 0.00 0.00 177.57 177.77 1xhf h ASP 88 N -0.10 0.55 0.40 0.57 3.32 -1.88 0.24 116.42 119.52 1xhf h ASP 88 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1xhf h ASP 88 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xhf h ASP 88 CO -0.00 0.91 -0.31 0.50 -1.72 0.00 0.00 179.24 178.62 1xhf h LYS 89 N 0.42 -0.68 -0.97 3.56 3.64 -1.43 0.07 116.57 121.18 1xhf h LYS 89 Ca 0.03 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xhf h LYS 89 Cb 0.93 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1xhf h LYS 89 CO 0.08 -0.46 0.62 0.82 -2.27 0.00 0.00 179.45 178.24 1xhf h ILE 90 N -0.71 1.26 -0.45 2.00 1.08 -1.18 -1.65 117.51 117.86 1xhf h ILE 90 Ca -0.03 -0.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 1xhf h ILE 90 Cb 0.61 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 1xhf h ILE 90 CO -0.01 0.26 0.14 -0.07 -0.69 0.00 0.00 178.15 177.78 1xhf h LEU 91 N 1.32 0.65 -0.67 1.44 3.38 -0.79 -0.06 115.31 120.58 1xhf h LEU 91 Ca 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xhf h LEU 91 Cb -0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1xhf h LEU 91 CO -0.07 0.68 0.37 1.23 0.09 0.00 0.00 178.44 180.74 1xhf h GLY 92 N 0.58 0.99 0.86 0.83 0.00 -0.60 -0.07 103.07 105.66 1xhf h GLY 92 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1xhf h GLY 92 CO -0.00 0.42 0.05 1.41 0.00 0.00 0.00 176.54 178.42 1xhf h LEU 93 N 0.91 0.34 -0.88 3.11 3.38 -1.23 -2.38 115.31 118.56 1xhf h LEU 93 Ca 0.24 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1xhf h LEU 93 Cb 0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1xhf h LEU 93 CO -0.04 0.49 0.54 -0.08 0.09 0.00 0.00 178.44 179.43 1xhf h GLU 94 N 0.19 0.89 0.00 1.13 4.57 -0.78 0.12 114.58 120.70 1xhf h GLU 94 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1xhf h GLU 94 Cb 0.28 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1xhf h GLU 94 CO 0.00 0.59 0.00 0.82 -1.18 0.00 0.00 179.01 179.24 1xhf h ILE 95 N 0.92 0.00 0.00 2.32 2.04 -0.91 -3.45 117.51 118.43 1xhf h ILE 95 Ca 0.41 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1xhf h ILE 95 Cb 0.30 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1xhf h ILE 95 CO -0.22 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.54 1xhf n GLY 96 N -0.66 1.58 3.74 5.37 0.00 0.42 -4.83 105.19 110.81 1xhf n GLY 96 Ca -0.01 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 3.62 0.27 4.61 0.00 -0.91 -4.86 121.76 122.49 1xhf s ALA 97 Ca 0.00 1.31 0.25 0.00 0.00 0.00 0.00 51.96 53.52 1xhf s ALA 97 Cb 0.00 -3.55 1.16 0.00 0.00 0.00 0.00 23.12 20.73 1xhf s ALA 97 CO 0.00 -0.73 1.94 -0.44 0.00 0.00 0.00 175.76 176.53 1xhf h ASP 98 N 5.03 0.00 -5.19 0.00 5.19 -1.07 -3.42 116.42 116.96 1xhf h ASP 98 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 1xhf h ASP 98 Cb 1.22 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.64 1xhf h ASP 98 CO 0.77 0.18 -0.06 -0.62 -3.12 0.00 0.00 179.24 176.40 1xhf s ASP 99 N -6.18 -0.13 -0.14 6.45 -1.08 -1.11 -5.05 116.67 109.44 1xhf s ASP 99 Ca -0.01 -0.83 -0.04 0.00 -0.52 0.00 0.00 52.55 51.15 1xhf s ASP 99 Cb 0.12 0.60 0.07 0.00 -1.46 0.00 0.00 42.92 42.24 1xhf s ASP 99 CO 0.61 -1.15 0.20 -0.47 0.52 0.00 0.00 175.17 174.89 1xhf s TYR 100 N -3.98 -0.26 -0.04 -5.34 5.04 -1.26 -1.47 117.35 110.03 1xhf s TYR 100 Ca 0.19 0.54 0.05 0.00 -2.44 0.00 0.00 57.07 55.41 1xhf s TYR 100 Cb -0.01 -0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.04 1xhf s TYR 100 CO 0.07 -0.41 -0.20 0.42 -1.34 0.00 0.00 175.55 174.09 1xhf s ILE 101 N 2.33 1.64 0.10 3.14 1.01 0.10 -4.96 121.20 124.57 1xhf s ILE 101 Ca 0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1xhf s ILE 101 Cb -0.13 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1xhf s ILE 101 CO -0.09 0.47 0.28 0.42 0.00 0.00 0.00 174.94 176.02 1xhf s THR 102 N -0.10 5.31 0.07 2.92 -4.23 -1.26 -1.31 115.64 117.04 1xhf s THR 102 Ca -0.02 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1xhf s THR 102 Cb -0.12 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 1xhf s THR 102 CO 0.02 0.06 0.51 -0.54 -0.54 0.00 0.00 174.62 174.13 1xhf s LYS 103 N -2.71 4.05 0.55 3.99 1.02 -0.46 -3.52 119.74 122.66 1xhf s LYS 103 Ca 0.37 0.56 -0.18 0.00 0.02 0.00 0.00 55.97 56.74 1xhf s LYS 103 Cb -0.12 -3.15 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1xhf s LYS 103 CO 0.27 0.62 1.07 -1.25 -0.92 0.00 0.00 175.35 175.14 1xhf s PRO 104 N -1.32 3.48 0.15 -1.68 0.04 -1.26 -4.61 135.00 129.80 1xhf s PRO 104 Ca 0.30 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1xhf s PRO 104 Cb -0.17 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1xhf s PRO 104 CO 0.17 -0.70 -0.18 -0.59 0.04 0.00 0.00 177.00 175.74 1xhf s PHE 105 N -2.12 1.78 -0.26 0.56 -0.12 -1.23 -5.11 117.98 111.49 1xhf s PHE 105 Ca 0.67 -0.46 -0.26 0.00 -0.05 0.00 0.00 56.93 56.83 1xhf s PHE 105 Cb -0.18 -0.91 0.00 0.00 -0.63 0.00 0.00 43.02 41.30 1xhf s PHE 105 CO 0.28 0.29 0.90 1.21 -0.05 0.00 0.00 175.22 177.86 1xhf s ASN 106 N -2.50 6.89 0.58 1.98 3.84 -1.26 -4.94 114.94 119.53 1xhf s ASN 106 Ca 0.13 1.07 0.29 0.00 0.21 0.00 0.00 52.86 54.56 1xhf s ASN 106 Cb -0.07 -2.47 1.75 0.00 -0.55 0.00 0.00 41.25 39.91 1xhf s ASN 106 CO 0.06 -0.61 2.22 1.55 -2.79 0.00 0.00 177.10 177.53 1xhf h PRO 107 N 7.73 0.00 -0.06 0.43 0.13 -1.99 -1.90 132.00 136.34 1xhf h PRO 107 Ca -0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 1xhf h PRO 107 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1xhf h PRO 107 CO 0.92 0.02 -0.59 0.00 -0.23 0.00 0.00 178.00 178.12 1xhf h ARG 108 N 0.00 0.50 -0.54 0.86 2.47 -1.99 -1.99 114.38 113.70 1xhf h ARG 108 Ca -0.00 -0.47 0.09 0.00 -1.26 0.00 0.00 59.98 58.34 1xhf h ARG 108 Cb 0.07 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.43 1xhf h ARG 108 CO 0.00 1.10 0.15 1.49 0.56 0.00 0.00 179.97 183.28 1xhf h GLU 109 N 0.07 0.30 -0.22 0.04 4.81 -1.79 -1.15 114.58 116.64 1xhf h GLU 109 Ca -0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xhf h GLU 109 Cb 1.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1xhf h GLU 109 CO 0.12 0.20 0.13 1.25 -0.73 0.00 0.00 179.01 179.98 1xhf h LEU 110 N 0.31 0.22 -0.49 1.64 5.85 -1.32 0.18 115.31 121.69 1xhf h LEU 110 Ca 0.27 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.82 1xhf h LEU 110 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1xhf h LEU 110 CO -0.31 0.16 -0.64 0.71 -0.34 0.00 0.00 178.44 178.02 1xhf h THR 111 N 0.27 1.36 -0.26 1.05 1.35 -1.10 -1.62 112.91 113.96 1xhf h THR 111 Ca 0.09 -1.97 -0.12 0.00 -0.55 0.00 0.00 66.41 63.85 1xhf h THR 111 Cb -0.01 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1xhf h THR 111 CO -0.04 0.60 -0.32 0.40 -0.25 0.00 0.00 175.52 175.91 1xhf h ILE 112 N 0.32 1.31 -0.77 6.82 2.04 -1.07 0.15 117.51 126.30 1xhf h ILE 112 Ca -0.01 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 1xhf h ILE 112 Cb 1.19 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 1xhf h ILE 112 CO 0.11 0.48 0.37 0.03 0.00 0.00 0.00 178.15 179.14 1xhf h ARG 113 N 0.41 1.11 -0.45 2.37 3.08 -0.88 -0.46 114.38 119.57 1xhf h ARG 113 Ca 0.03 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1xhf h ARG 113 Cb 0.90 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1xhf h ARG 113 CO 0.08 0.86 0.21 0.00 -1.07 0.00 0.00 179.97 180.05 1xhf h ALA 114 N 1.19 0.58 -0.03 0.04 0.00 -1.18 -1.59 119.26 118.26 1xhf h ALA 114 Ca 0.27 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xhf h ALA 114 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xhf h ALA 114 CO -0.03 0.15 -0.07 -0.09 0.00 0.00 0.00 179.25 179.20 1xhf h ARG 115 N 0.58 -0.10 -0.89 0.00 2.43 -0.55 0.13 114.38 115.97 1xhf h ARG 115 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xhf h ARG 115 Cb 0.14 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1xhf h ARG 115 CO -0.02 -0.07 0.56 -0.91 -1.51 0.00 0.00 179.97 178.03 1xhf h ASN 116 N -0.11 1.05 -0.33 -3.80 2.35 -0.93 -0.17 115.58 113.64 1xhf h ASN 116 Ca 0.04 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1xhf h ASN 116 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1xhf h ASN 116 CO -0.10 0.78 -0.01 0.25 -1.65 0.00 0.00 177.43 176.71 1xhf h LEU 117 N 1.22 0.57 -1.13 1.61 5.85 -1.03 -2.29 115.31 120.11 1xhf h LEU 117 Ca 0.32 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1xhf h LEU 117 Cb -0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1xhf h LEU 117 CO -0.07 0.75 0.31 -0.07 -0.34 0.00 0.00 178.44 179.03 1xhf h LEU 118 N 0.38 0.83 -1.66 2.25 3.38 -0.45 -0.92 115.31 119.12 1xhf h LEU 118 Ca 0.09 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xhf h LEU 118 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xhf h LEU 118 CO 0.02 0.71 0.24 0.28 0.09 0.00 0.00 178.44 179.78 1xhf h SER 119 N 0.92 0.39 -0.10 -0.43 0.02 -0.59 -2.29 113.55 111.47 1xhf h SER 119 Ca 0.23 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1xhf h SER 119 Cb 0.09 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xhf h SER 119 CO -0.03 0.28 -0.36 0.03 -1.14 0.00 0.00 176.83 175.62 1xhf h ARG 120 N 0.46 0.42 -0.02 3.45 2.47 -0.72 -3.51 114.38 116.93 1xhf h ARG 120 Ca 0.13 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1xhf h ARG 120 Cb -0.02 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1xhf h ARG 120 CO -0.03 0.94 0.00 0.25 0.56 0.00 0.00 179.97 181.69