#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhj n PRO 2 N 0.00 -1.82 -0.50 2.12 -0.02 -1.26 -5.02 135.00 128.49 1xhj n PRO 2 Ca 0.00 -1.17 -0.29 0.00 -2.02 0.00 0.00 63.50 60.02 1xhj n PRO 2 Cb 0.00 -0.97 0.25 0.00 -0.02 0.00 0.00 33.50 32.75 1xhj n PRO 2 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xhj n THR 3 N -3.70 0.00 -2.31 3.45 -1.04 -1.26 -4.98 114.28 104.44 1xhj n THR 3 Ca 0.10 -0.45 0.04 0.00 -2.04 0.00 0.00 64.05 61.70 1xhj n THR 3 Cb 0.37 -0.90 0.05 0.00 -1.82 0.00 0.00 70.33 68.03 1xhj n THR 3 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1xhj n GLU 4 N -4.35 0.27 -0.12 -2.82 0.28 -1.26 -4.86 120.64 107.79 1xhj n GLU 4 Ca 0.02 -2.15 -0.25 0.00 -0.16 0.00 0.00 57.16 54.62 1xhj n GLU 4 Cb 0.56 -0.31 -0.09 0.00 1.43 0.00 0.00 31.44 33.04 1xhj n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1xhj n ASN 5 N 0.19 1.70 -1.62 -1.84 5.15 -1.26 -4.54 115.26 113.04 1xhj n ASN 5 Ca 0.08 0.26 -0.01 0.00 -0.60 0.00 0.00 54.58 54.31 1xhj n ASN 5 Cb 1.04 -0.67 -0.01 0.00 -0.53 0.00 0.00 39.78 39.61 1xhj n ASN 5 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xhj n PRO 6 N -3.99 0.92 0.00 1.20 -0.05 -1.26 -4.67 135.00 127.14 1xhj n PRO 6 Ca -0.46 -0.07 0.00 0.00 -0.05 0.00 0.00 63.50 62.92 1xhj n PRO 6 Cb 0.84 -1.15 0.00 0.00 -0.05 0.00 0.00 33.50 33.13 1xhj n PRO 6 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1xhj n THR 7 N 1.67 0.00 -0.25 0.52 -1.04 -1.26 -4.63 114.28 109.27 1xhj n THR 7 Ca 0.03 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.10 1xhj n THR 7 Cb 0.45 -1.17 0.19 0.00 -1.82 0.00 0.00 70.33 67.98 1xhj n THR 7 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1xhj h MET 8 N 0.00 0.32 -1.39 -2.82 2.86 -1.97 0.13 114.93 112.05 1xhj h MET 8 Ca 0.00 -0.02 0.46 0.00 -2.06 0.00 0.00 59.70 58.08 1xhj h MET 8 Cb 0.00 -0.07 -0.12 0.00 0.06 0.00 0.00 31.60 31.46 1xhj h MET 8 CO 0.00 0.21 0.91 0.35 1.06 0.00 0.00 176.91 179.44 1xhj h PHE 9 N 0.33 0.46 0.69 -0.22 3.57 -1.89 0.12 116.94 119.99 1xhj h PHE 9 Ca 0.42 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 1xhj h PHE 9 Cb 0.71 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.34 1xhj h PHE 9 CO -0.22 -0.20 -0.33 0.22 -2.23 0.00 0.00 178.31 175.55 1xhj h ASP 10 N 0.06 -0.79 0.35 0.41 1.82 -1.00 -2.33 116.42 114.94 1xhj h ASP 10 Ca 0.84 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.50 1xhj h ASP 10 Cb 2.74 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 42.94 1xhj h ASP 10 CO -0.38 -0.49 -0.23 -0.61 -1.61 0.00 0.00 179.24 175.91 1xhj h GLN 11 N -1.07 -0.54 0.24 0.28 4.15 -0.90 -0.40 115.11 116.87 1xhj h GLN 11 Ca -0.09 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1xhj h GLN 11 Cb 0.71 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1xhj h GLN 11 CO 0.16 -0.36 -0.51 -0.39 -1.93 0.00 0.00 178.83 175.79 1xhj h VAL 12 N -0.56 0.00 -0.91 2.39 -1.51 -1.28 1.22 116.25 115.60 1xhj h VAL 12 Ca -0.03 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.61 1xhj h VAL 12 Cb 0.47 0.00 -0.10 0.00 -2.13 0.00 0.00 31.29 29.53 1xhj h VAL 12 CO 0.02 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 176.85 1xhj h ALA 13 N -0.68 1.43 0.42 5.19 0.00 -1.41 0.78 119.26 124.99 1xhj h ALA 13 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xhj h ALA 13 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xhj h ALA 13 CO -0.21 -0.11 -0.20 0.93 0.00 0.00 0.00 179.25 179.65 1xhj h GLU 14 N 0.64 -0.54 0.15 0.00 4.39 0.28 -1.51 114.58 117.98 1xhj h GLU 14 Ca 0.52 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.25 1xhj h GLU 14 Cb 0.80 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1xhj h GLU 14 CO -0.39 -0.25 -0.09 0.28 -1.16 0.00 0.00 179.01 177.40 1xhj h VAL 15 N -0.82 0.81 -0.40 3.13 2.07 0.22 -2.62 116.25 118.64 1xhj h VAL 15 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1xhj h VAL 15 Cb 0.55 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1xhj h VAL 15 CO 0.09 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 178.03 1xhj h ILE 16 N -0.23 0.64 -0.62 4.57 2.04 0.49 0.40 117.51 124.80 1xhj h ILE 16 Ca -0.01 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1xhj h ILE 16 Cb 0.19 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 1xhj h ILE 16 CO 0.02 0.01 0.08 -0.08 0.00 0.00 0.00 178.15 178.18 1xhj h GLU 17 N 0.05 0.19 -0.31 2.37 4.81 -1.09 1.70 114.58 122.31 1xhj h GLU 17 Ca 0.20 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1xhj h GLU 17 Cb 0.29 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xhj h GLU 17 CO -0.37 0.13 -0.29 0.00 -0.73 0.00 0.00 179.01 177.74 1xhj h ARG 18 N 0.20 0.74 0.00 1.92 3.08 -0.86 -3.14 114.38 116.33 1xhj h ARG 18 Ca 0.33 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1xhj h ARG 18 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1xhj h ARG 18 CO -0.47 1.01 -0.21 1.25 -1.07 0.00 0.00 179.97 180.48 1xhj h LEU 19 N 0.50 0.00 -0.46 3.04 5.85 0.90 -3.35 115.31 121.79 1xhj h LEU 19 Ca 0.05 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1xhj h LEU 19 Cb 0.87 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 1xhj h LEU 19 CO 0.07 0.21 -0.39 0.03 -0.34 0.00 0.00 178.44 178.03 1xhj h ARG 20 N 0.00 -0.14 -1.27 1.25 3.08 0.26 0.22 114.38 117.78 1xhj h ARG 20 Ca -0.00 0.01 0.37 0.00 0.07 0.00 0.00 59.98 60.43 1xhj h ARG 20 Cb 0.91 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1xhj h ARG 20 CO 0.03 -0.09 1.04 -1.00 -1.07 0.00 0.00 179.97 178.87 1xhj h PRO 21 N -0.15 0.00 0.02 0.04 0.13 -1.75 0.11 132.00 130.41 1xhj h PRO 21 Ca 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xhj h PRO 21 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1xhj h PRO 21 CO -0.51 0.00 -0.01 0.35 -0.23 0.00 0.00 178.00 177.60 1xhj h PHE 22 N 0.00 -0.02 -0.84 1.56 3.57 -0.82 -3.15 116.94 117.24 1xhj h PHE 22 Ca 0.60 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.16 1xhj h PHE 22 Cb 2.68 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 41.37 1xhj h PHE 22 CO 0.00 0.73 0.53 -0.07 -2.23 0.00 0.00 178.31 177.27 1xhj h LEU 23 N -0.90 0.84 0.03 0.59 3.38 -0.15 -2.51 115.31 116.60 1xhj h LEU 23 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xhj h LEU 23 Cb 0.76 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1xhj h LEU 23 CO 0.00 0.55 -0.25 0.25 0.09 0.00 0.00 178.44 179.08 1xhj h LEU 24 N 0.98 -0.74 -1.54 1.67 6.46 0.13 2.36 115.31 124.64 1xhj h LEU 24 Ca 0.36 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 58.31 1xhj h LEU 24 Cb 0.12 0.30 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1xhj h LEU 24 CO -0.15 -0.32 0.44 0.03 -0.62 0.00 0.00 178.44 177.81 1xhj h ARG 25 N -0.40 0.51 0.00 1.25 3.08 -1.42 -3.34 114.38 114.06 1xhj h ARG 25 Ca 0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1xhj h ARG 25 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1xhj h ARG 25 CO -0.21 0.34 -1.09 -3.47 -1.07 0.00 0.00 179.97 174.47 1xhj n ASP 26 N -4.48 1.88 0.00 7.04 -0.08 -0.77 -4.97 116.55 115.16 1xhj n ASP 26 Ca 0.11 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 1xhj n ASP 26 Cb 0.35 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.09 1xhj n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xhj n GLY 27 N 1.57 -0.42 0.00 0.27 0.00 0.74 -4.82 105.19 102.53 1xhj n GLY 27 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xhj n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhj n GLY 28 N 2.16 1.18 3.60 -0.02 0.00 0.22 -4.47 105.19 107.87 1xhj n GLY 28 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1xhj n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhj s ASP 29 N 2.00 5.16 0.12 1.61 -1.08 0.12 0.23 116.67 124.83 1xhj s ASP 29 Ca 0.00 0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 52.04 1xhj s ASP 29 Cb 0.00 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.70 1xhj s ASP 29 CO 0.00 0.25 0.30 0.00 0.52 0.00 0.00 175.17 176.24 1xhj s THR 31 N -1.63 -0.49 0.11 0.00 2.01 -0.10 -4.96 115.64 110.58 1xhj s THR 31 Ca 0.38 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 1xhj s THR 31 Cb -0.12 -0.71 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1xhj s THR 31 CO 0.27 -0.11 1.37 -0.22 -0.69 0.00 0.00 174.62 175.24 1xhj s LEU 32 N 2.46 4.37 -0.25 4.42 0.20 -1.26 -1.33 118.68 127.29 1xhj s LEU 32 Ca 0.08 2.29 0.02 0.00 0.69 0.00 0.00 54.13 57.22 1xhj s LEU 32 Cb -0.15 -3.58 -0.18 0.00 -0.43 0.00 0.00 46.19 41.85 1xhj s LEU 32 CO -0.13 -0.63 -0.19 0.52 -0.29 0.00 0.00 176.35 175.62 1xhj n VAL 33 N 3.96 1.50 -3.60 1.68 0.31 -1.10 -4.97 118.33 116.11 1xhj n VAL 33 Ca 0.11 -0.59 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 1xhj n VAL 33 Cb 0.43 -1.38 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 1xhj n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xhj s ASP 34 N -6.49 -0.61 -0.42 4.52 -1.08 -1.25 -4.98 116.67 106.37 1xhj s ASP 34 Ca -0.33 1.01 -0.07 0.00 -0.52 0.00 0.00 52.55 52.64 1xhj s ASP 34 Cb 0.09 0.97 0.09 0.00 -1.46 0.00 0.00 42.92 42.60 1xhj s ASP 34 CO 0.62 -0.32 0.24 -0.69 0.52 0.00 0.00 175.17 175.54 1xhj s VAL 35 N -0.20 3.92 0.53 1.11 1.01 -1.26 -2.15 120.40 123.36 1xhj s VAL 35 Ca -0.02 -1.62 0.08 0.00 0.00 0.00 0.00 61.98 60.42 1xhj s VAL 35 Cb -0.03 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1xhj s VAL 35 CO 0.01 -0.57 0.57 -0.70 0.00 0.00 0.00 175.10 174.41 1xhj s GLU 36 N 1.34 2.35 0.00 2.72 2.12 -1.26 -4.95 118.70 121.01 1xhj s GLU 36 Ca 0.04 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 53.61 1xhj s GLU 36 Cb -0.23 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1xhj s GLU 36 CO -0.00 -0.64 0.84 -0.25 -0.54 0.00 0.00 175.26 174.68 1xhj n ASP 37 N -1.93 0.00 0.00 -1.70 8.00 -1.26 -4.19 116.55 115.46 1xhj n ASP 37 Ca 0.07 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1xhj n ASP 37 Cb 0.63 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhj n GLY 38 N -1.34 0.04 2.45 0.44 0.00 -1.26 -4.87 105.19 100.64 1xhj n GLY 38 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xhj n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xhj n ILE 39 N 0.00 4.44 -2.38 -0.61 -0.00 -1.26 -4.24 119.36 115.31 1xhj n ILE 39 Ca 0.00 -3.20 -0.43 0.00 -0.00 0.00 0.00 62.75 59.12 1xhj n ILE 39 Cb 0.00 -2.46 -0.02 0.00 -0.00 0.00 0.00 39.64 37.15 1xhj n ILE 39 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1xhj s VAL 40 N 1.35 4.15 0.35 1.39 1.01 -1.26 -4.19 120.40 123.20 1xhj s VAL 40 Ca 0.61 1.35 -0.16 0.00 0.00 0.00 0.00 61.98 63.77 1xhj s VAL 40 Cb 0.17 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1xhj s VAL 40 CO -0.07 -0.28 0.79 -0.54 0.00 0.00 0.00 175.10 175.00 1xhj s LYS 41 N 3.89 4.05 0.08 2.72 1.02 -0.91 -2.34 119.74 128.25 1xhj s LYS 41 Ca 0.57 0.77 -0.06 0.00 0.02 0.00 0.00 55.97 57.28 1xhj s LYS 41 Cb -0.20 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1xhj s LYS 41 CO 0.20 0.10 0.12 -1.17 -0.92 0.00 0.00 175.35 173.68 1xhj s LEU 42 N -3.06 1.76 -0.21 3.17 2.96 0.21 -2.70 118.68 120.81 1xhj s LEU 42 Ca 0.56 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1xhj s LEU 42 Cb -0.10 0.76 0.09 0.00 0.50 0.00 0.00 46.19 47.44 1xhj s LEU 42 CO 0.17 -0.69 0.20 -1.10 -1.32 0.00 0.00 176.35 173.61 1xhj s GLN 43 N -3.89 0.18 0.05 1.98 -0.21 -0.44 -1.40 119.66 115.94 1xhj s GLN 43 Ca 0.06 0.12 -0.11 0.00 0.02 0.00 0.00 55.36 55.45 1xhj s GLN 43 Cb 0.06 -1.27 -0.06 0.00 1.00 0.00 0.00 33.01 32.75 1xhj s GLN 43 CO -0.10 -0.69 0.40 -1.17 -2.12 0.00 0.00 175.29 171.61 1xhj s LEU 44 N 2.30 4.39 -0.30 2.90 0.20 -1.02 -0.93 118.68 126.21 1xhj s LEU 44 Ca 0.06 0.85 -0.05 0.00 0.69 0.00 0.00 54.13 55.68 1xhj s LEU 44 Cb -0.16 -2.85 0.17 0.00 -0.43 0.00 0.00 46.19 42.93 1xhj s LEU 44 CO -0.14 0.22 0.69 -1.38 -0.29 0.00 0.00 176.35 175.45 1xhj s HIS 45 N -1.29 -1.37 0.00 5.38 -3.43 0.15 -3.65 115.29 111.07 1xhj s HIS 45 Ca 0.30 1.68 0.00 0.00 -0.80 0.00 0.00 55.06 56.24 1xhj s HIS 45 Cb -0.15 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 1xhj s HIS 45 CO 0.16 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 1xhj n GLY 46 N 5.41 -0.20 0.00 -1.38 0.00 -1.26 0.14 105.19 107.90 1xhj n GLY 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xhj n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhj n ALA 47 N -2.12 0.00 -1.18 4.61 0.00 -1.26 -4.78 120.51 115.78 1xhj n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xhj n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xhj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xhj n GLY 49 N 0.00 0.98 2.67 0.00 0.00 -1.26 -4.79 105.19 102.79 1xhj n GLY 49 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1xhj n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xhj n THR 50 N -2.70 2.53 -2.83 2.61 5.66 -1.26 -4.65 114.28 113.65 1xhj n THR 50 Ca 0.00 -1.62 -0.22 0.00 -3.05 0.00 0.00 64.05 59.16 1xhj n THR 50 Cb 0.24 -2.22 0.02 0.00 -1.55 0.00 0.00 70.33 66.81 1xhj n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xhj s PRO 52 N -2.29 4.51 -0.01 0.00 0.05 -1.26 -4.94 135.00 131.06 1xhj s PRO 52 Ca 0.17 1.79 0.18 0.00 0.05 0.00 0.00 61.00 63.19 1xhj s PRO 52 Cb -0.02 -3.28 -0.19 0.00 0.05 0.00 0.00 34.50 31.07 1xhj s PRO 52 CO 0.56 -0.07 0.62 0.45 0.05 0.00 0.00 177.00 178.61 1xhj n SER 53 N 2.79 0.57 0.01 6.66 2.88 -1.26 -4.21 113.62 121.05 1xhj n SER 53 Ca 0.05 0.25 -0.21 0.00 -1.33 0.00 0.00 58.87 57.63 1xhj n SER 53 Cb 0.46 0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 64.36 1xhj n SER 53 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xhj h SER 54 N 0.00 0.36 -0.93 -3.46 4.64 -1.98 -3.33 113.55 108.85 1xhj h SER 54 Ca -0.22 -0.87 0.25 0.00 -0.47 0.00 0.00 61.79 60.48 1xhj h SER 54 Cb 1.65 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.57 1xhj h SER 54 CO 0.04 1.50 0.65 0.74 -0.87 0.00 0.00 176.83 178.89 1xhj h THR 55 N -0.41 0.57 -0.76 2.95 2.02 -1.88 0.29 112.91 115.70 1xhj h THR 55 Ca -0.24 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 66.94 1xhj h THR 55 Cb 1.65 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1xhj h THR 55 CO 0.07 0.03 0.46 0.40 0.37 0.00 0.00 175.52 176.85 1xhj h ILE 56 N 0.16 1.04 0.27 3.11 2.04 -1.73 0.40 117.51 122.80 1xhj h ILE 56 Ca 0.47 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1xhj h ILE 56 Cb 1.57 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1xhj h ILE 56 CO -0.09 0.16 -0.13 0.74 0.00 0.00 0.00 178.15 178.83 1xhj h THR 57 N 0.86 0.78 -0.41 -0.27 2.02 -0.60 -2.30 112.91 112.98 1xhj h THR 57 Ca 0.32 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1xhj h THR 57 Cb 0.12 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1xhj h THR 57 CO -0.15 0.09 0.18 0.25 0.37 0.00 0.00 175.52 176.26 1xhj h LEU 58 N -0.60 0.23 -0.43 2.58 5.85 -1.19 -1.46 115.31 120.28 1xhj h LEU 58 Ca -0.04 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1xhj h LEU 58 Cb 0.43 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1xhj h LEU 58 CO 0.06 0.17 -0.24 0.50 -0.34 0.00 0.00 178.44 178.58 1xhj h LYS 59 N 0.36 -0.15 0.00 1.25 3.64 -0.15 0.67 116.57 122.18 1xhj h LYS 59 Ca 0.19 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1xhj h LYS 59 Cb 0.13 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xhj h LYS 59 CO -0.16 -0.10 -0.03 0.00 -2.27 0.00 0.00 179.45 176.88 1xhj h ALA 60 N 1.06 1.26 0.36 5.00 0.00 -0.87 -0.00 119.26 126.06 1xhj h ALA 60 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xhj h ALA 60 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xhj h ALA 60 CO -0.53 0.04 -0.17 0.78 0.00 0.00 0.00 179.25 179.37 1xhj h GLY 61 N 0.37 -0.51 0.85 0.00 0.00 0.13 -2.70 103.07 101.22 1xhj h GLY 61 Ca -0.00 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1xhj h GLY 61 CO 0.00 -0.19 0.03 0.16 0.00 0.00 0.00 176.54 176.55 1xhj h ILE 62 N -1.12 1.14 -0.41 2.60 3.07 -1.00 -1.82 117.51 119.96 1xhj h ILE 62 Ca -0.05 -0.43 0.05 0.00 1.55 0.00 0.00 64.86 65.98 1xhj h ILE 62 Cb 0.39 1.30 -0.08 0.00 -0.27 0.00 0.00 36.82 38.17 1xhj h ILE 62 CO 0.08 0.12 -0.52 -0.08 -1.05 0.00 0.00 178.15 176.70 1xhj h GLU 63 N -0.05 -0.34 -0.61 0.16 4.81 -1.13 0.56 114.58 117.98 1xhj h GLU 63 Ca 0.02 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1xhj h GLU 63 Cb 0.17 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 1xhj h GLU 63 CO -0.00 -0.22 0.21 -0.09 -0.73 0.00 0.00 179.01 178.17 1xhj h ARG 64 N -0.35 0.36 0.59 1.92 2.43 -1.44 0.47 114.38 118.35 1xhj h ARG 64 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1xhj h ARG 64 Cb 0.54 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1xhj h ARG 64 CO -0.57 0.24 -0.40 0.00 -1.51 0.00 0.00 179.97 177.72 1xhj h ALA 65 N 1.44 -0.99 -0.23 2.80 0.00 -0.13 0.06 119.26 122.22 1xhj h ALA 65 Ca 0.32 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xhj h ALA 65 Cb 0.42 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1xhj h ALA 65 CO -0.34 -1.08 -0.00 -0.07 0.00 0.00 0.00 179.25 177.76 1xhj h LEU 66 N -0.95 -0.09 -0.99 0.00 4.07 0.47 -1.34 115.31 116.48 1xhj h LEU 66 Ca -0.07 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.13 1xhj h LEU 66 Cb 0.79 0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.51 1xhj h LEU 66 CO 0.04 -0.02 0.59 0.45 -1.08 0.00 0.00 178.44 178.42 1xhj h HIS 67 N 0.07 1.03 0.53 1.13 3.86 0.10 -1.75 115.15 120.13 1xhj h HIS 67 Ca 0.11 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1xhj h HIS 67 Cb 0.14 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 28.31 1xhj h HIS 67 CO -0.19 0.22 -0.26 1.49 0.86 0.00 0.00 177.93 180.05 1xhj h GLU 68 N 0.73 -0.69 0.00 2.45 4.81 0.14 -3.44 114.58 118.58 1xhj h GLU 68 Ca 0.57 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1xhj h GLU 68 Cb 0.89 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1xhj h GLU 68 CO -0.39 -0.43 0.00 0.39 -0.73 0.00 0.00 179.01 177.85 1xhj n GLU 69 N -5.37 0.00 -4.01 1.92 1.02 -0.67 -4.81 120.64 108.72 1xhj n GLU 69 Ca -0.12 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.72 1xhj n GLU 69 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.68 1xhj n GLU 69 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xhj n VAL 70 N 0.00 -1.25 -1.51 2.62 0.31 -1.16 -4.56 118.33 112.78 1xhj n VAL 70 Ca 0.00 -0.44 -0.40 0.00 -0.01 0.00 0.00 64.34 63.49 1xhj n VAL 70 Cb 0.00 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 1xhj n VAL 70 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xhj n PRO 71 N -4.11 0.13 0.00 5.55 -0.04 -1.26 -0.10 135.00 135.17 1xhj n PRO 71 Ca -0.21 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1xhj n PRO 71 Cb 0.54 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1xhj n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xhj n GLY 72 N 6.42 0.87 3.77 0.55 0.00 -1.26 -5.12 105.19 110.42 1xhj n GLY 72 Ca 0.62 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 1xhj n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhj s VAL 73 N -0.92 2.52 0.01 1.61 0.11 0.85 -4.70 120.40 119.88 1xhj s VAL 73 Ca 0.00 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1xhj s VAL 73 Cb 0.00 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1xhj s VAL 73 CO 0.00 0.09 0.00 -0.38 -3.33 0.00 0.00 175.10 171.48 1xhj n ILE 74 N 0.35 0.04 -3.15 7.04 5.41 -1.26 -5.08 119.36 122.71 1xhj n ILE 74 Ca 0.02 0.01 0.04 0.00 1.00 0.00 0.00 62.75 63.83 1xhj n ILE 74 Cb 0.42 -1.12 -0.01 0.00 -0.71 0.00 0.00 39.64 38.22 1xhj n ILE 74 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xhj s GLU 75 N -2.00 0.43 0.86 0.38 2.12 -1.26 -5.10 118.70 114.13 1xhj s GLU 75 Ca 0.00 0.74 -0.09 0.00 0.36 0.00 0.00 54.97 55.98 1xhj s GLU 75 Cb 0.00 0.41 0.18 0.00 0.26 0.00 0.00 34.13 34.98 1xhj s GLU 75 CO 0.00 -0.49 1.18 0.14 -0.54 0.00 0.00 175.26 175.55 1xhj s VAL 76 N 2.89 2.03 -0.40 3.70 -7.23 -1.26 -4.21 120.40 115.91 1xhj s VAL 76 Ca 0.13 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.04 1xhj s VAL 76 Cb -0.13 -2.72 0.16 0.00 0.56 0.00 0.00 36.38 34.25 1xhj s VAL 76 CO -0.18 0.00 0.43 -1.61 -0.31 0.00 0.00 175.10 173.43 1xhj s GLU 77 N -5.55 0.77 -0.79 4.82 2.02 -0.99 -4.94 118.70 114.03 1xhj s GLU 77 Ca 0.72 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.45 1xhj s GLU 77 Cb -0.04 -0.73 0.21 0.00 0.10 0.00 0.00 34.13 33.67 1xhj s GLU 77 CO 0.49 -1.26 0.72 -1.14 0.02 0.00 0.00 175.26 174.09 1xhj s GLN 78 N 1.08 3.44 0.74 1.61 0.74 -1.26 0.64 119.66 126.65 1xhj s GLN 78 Ca 0.22 -2.45 -0.03 0.00 0.05 0.00 0.00 55.36 53.14 1xhj s GLN 78 Cb -0.09 -4.33 0.12 0.00 1.10 0.00 0.00 33.01 29.81 1xhj s GLN 78 CO -0.06 -1.28 1.02 0.14 -0.55 0.00 0.00 175.29 174.56 1xhj s VAL 79 N 0.17 2.19 -0.35 1.34 -7.23 -0.49 -4.86 120.40 111.16 1xhj s VAL 79 Ca 0.17 -0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1xhj s VAL 79 Cb -0.12 -2.71 0.05 0.00 0.56 0.00 0.00 36.38 34.16 1xhj s VAL 79 CO -0.08 0.00 0.12 -0.36 -0.31 0.00 0.00 175.10 174.47 1xhj s PHE 80 N -3.22 3.29 -0.87 2.82 0.08 -1.26 -2.45 117.98 116.37 1xhj s PHE 80 Ca 0.66 -1.55 -0.19 0.00 0.12 0.00 0.00 56.93 55.96 1xhj s PHE 80 Cb -0.06 -2.41 0.12 0.00 -0.57 0.00 0.00 43.02 40.10 1xhj s PHE 80 CO 0.45 -0.77 1.08 -1.17 -0.10 0.00 0.00 175.22 174.71 1xhj s LEU 81 N 1.37 5.01 0.00 -0.37 2.96 -1.24 -4.82 118.68 121.58 1xhj s LEU 81 Ca -0.01 -1.88 0.19 0.00 -0.22 0.00 0.00 54.13 52.21 1xhj s LEU 81 Cb -0.20 -2.39 1.11 0.00 0.50 0.00 0.00 46.19 45.21 1xhj s LEU 81 CO 0.02 -1.11 1.51 -1.84 -1.32 0.00 0.00 176.35 173.61 1xhj n GLU 82 N 6.66 0.59 -3.03 1.98 0.28 -1.26 -4.44 120.64 121.42 1xhj n GLU 82 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.74 1xhj n GLU 82 Cb 0.48 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 1xhj n GLU 82 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1xhj s HIS 83 N -2.00 3.12 0.00 -1.84 2.46 -1.26 -4.93 115.29 110.84 1xhj s HIS 83 Ca 0.28 -1.25 0.00 0.00 0.47 0.00 0.00 55.06 54.56 1xhj s HIS 83 Cb 0.13 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1xhj s HIS 83 CO 0.22 -1.39 0.00 1.58 -2.47 0.00 0.00 174.74 172.68 1xhj n HIS 84 N 6.26 0.00 -1.39 3.88 -0.00 -1.26 -4.99 115.22 117.71 1xhj n HIS 84 Ca 0.10 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.44 1xhj n HIS 84 Cb 0.46 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.26 1xhj n HIS 84 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1xhj n HIS 85 N 0.00 -3.56 -4.20 1.57 -0.00 -1.26 -4.98 115.22 102.79 1xhj n HIS 85 Ca 0.00 1.92 -0.16 0.00 -0.00 0.00 0.00 57.72 59.48 1xhj n HIS 85 Cb 0.00 -3.24 -0.11 0.00 -0.00 0.00 0.00 29.99 26.64 1xhj n HIS 85 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1xhj s HIS 86 N -3.86 1.21 -0.18 1.57 -3.43 -1.26 -5.07 115.29 104.26 1xhj s HIS 86 Ca 0.00 -0.58 -0.22 0.00 -0.80 0.00 0.00 55.06 53.46 1xhj s HIS 86 Cb 0.00 -0.65 -0.22 0.00 -1.43 0.00 0.00 32.58 30.28 1xhj s HIS 86 CO 0.00 0.06 0.38 1.25 -2.00 0.00 0.00 174.74 174.44 1xhj h HIS 87 N 3.70 0.07 -0.02 0.38 2.76 -2.03 -3.57 115.15 116.44 1xhj h HIS 87 Ca -0.39 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1xhj h HIS 87 Cb 1.19 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1xhj h HIS 87 CO 0.64 1.40 0.00 1.58 -1.30 0.00 0.00 177.93 180.25