#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 0.75 -0.65 3.17 -0.04 -1.26 -4.90 135.00 132.07 1xhj n PRO 2 Ca 0.00 0.27 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1xhj n PRO 2 Cb 0.00 -1.60 0.18 0.00 -0.04 0.00 0.00 33.50 32.04 1xhj n PRO 2 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xhj n THR 3 N 0.80 0.00 -2.56 0.52 -2.24 -1.26 -4.98 114.28 104.56 1xhj n THR 3 Ca 0.15 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1xhj n THR 3 Cb 0.24 -0.90 0.06 0.00 -2.10 0.00 0.00 70.33 67.64 1xhj n THR 3 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xhj n GLU 4 N -3.77 1.05 -0.10 -0.78 2.13 -1.26 -4.94 120.64 112.97 1xhj n GLU 4 Ca 0.08 -1.83 -0.19 0.00 0.66 0.00 0.00 57.16 55.88 1xhj n GLU 4 Cb 0.53 -0.11 -0.08 0.00 0.27 0.00 0.00 31.44 32.05 1xhj n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xhj n ASN 5 N -0.79 1.80 -2.66 4.31 5.15 -1.26 -4.63 115.26 117.18 1xhj n ASN 5 Ca -0.11 0.13 -0.23 0.00 -0.60 0.00 0.00 54.58 53.77 1xhj n ASN 5 Cb 0.85 -0.50 -0.09 0.00 -0.53 0.00 0.00 39.78 39.52 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 -3.62 2.54 -1.11 1.20 -0.05 -1.26 -4.84 135.00 127.86 1xhj n PRO 6 Ca -0.38 -1.45 -0.30 0.00 -0.05 0.00 0.00 63.50 61.32 1xhj n PRO 6 Cb 0.81 -2.33 0.24 0.00 -0.05 0.00 0.00 33.50 32.17 1xhj n PRO 6 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1xhj s THR 7 N 1.83 1.60 0.18 0.52 -4.23 -1.26 -4.81 115.64 109.47 1xhj s THR 7 Ca 0.61 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.94 1xhj s THR 7 Cb 0.22 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.67 1xhj s THR 7 CO -0.03 0.00 1.62 0.24 -0.54 0.00 0.00 174.62 175.92 1xhj h MET 8 N -2.58 -0.12 -1.06 3.99 2.86 -1.99 0.20 114.93 116.23 1xhj h MET 8 Ca -0.44 0.01 0.40 0.00 -2.06 0.00 0.00 59.70 57.60 1xhj h MET 8 Cb 1.29 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 32.81 1xhj h MET 8 CO 0.33 -0.08 0.60 0.35 1.06 0.00 0.00 176.91 179.17 1xhj h PHE 9 N -0.12 0.81 0.76 -0.22 3.04 -1.95 0.66 116.94 119.92 1xhj h PHE 9 Ca 0.22 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.17 1xhj h PHE 9 Cb 0.46 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1xhj h PHE 9 CO -0.48 -0.36 -0.39 0.22 -2.02 0.00 0.00 178.31 175.29 1xhj h ASP 10 N 0.10 -0.95 0.79 0.41 3.58 -1.26 -0.59 116.42 118.50 1xhj h ASP 10 Ca 0.82 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 58.27 1xhj h ASP 10 Cb 2.16 0.26 0.01 0.00 1.72 0.00 0.00 39.33 43.47 1xhj h ASP 10 CO -0.67 -0.64 -0.38 -0.61 -2.88 0.00 0.00 179.24 174.06 1xhj h GLN 11 N -1.05 -1.02 0.11 0.28 4.15 -0.99 0.96 115.11 117.54 1xhj h GLN 11 Ca -0.10 0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.40 1xhj h GLN 11 Cb 0.82 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 1xhj h GLN 11 CO 0.15 -0.67 -0.53 -0.39 -1.93 0.00 0.00 178.83 175.46 1xhj h VAL 12 N -1.08 0.01 -0.88 2.39 -1.51 -1.06 1.01 116.25 115.12 1xhj h VAL 12 Ca -0.11 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.51 1xhj h VAL 12 Cb 0.82 0.01 -0.09 0.00 -2.13 0.00 0.00 31.29 29.89 1xhj h VAL 12 CO 0.18 0.00 0.47 0.00 -1.23 0.00 0.00 177.57 176.99 1xhj h ALA 13 N -0.50 1.35 0.65 5.19 0.00 -1.13 0.59 119.26 125.41 1xhj h ALA 13 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xhj h ALA 13 Cb 0.76 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xhj h ALA 13 CO -0.30 -0.06 -0.31 1.49 0.00 0.00 0.00 179.25 180.07 1xhj h GLU 14 N 0.67 -0.84 -0.11 0.00 4.22 0.86 -0.98 114.58 118.40 1xhj h GLU 14 Ca 0.48 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1xhj h GLU 14 Cb 0.67 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1xhj h GLU 14 CO -0.36 -0.53 0.07 0.28 -2.18 0.00 0.00 179.01 176.30 1xhj h VAL 15 N -0.99 1.03 -0.03 0.32 2.07 0.16 -2.23 116.25 116.58 1xhj h VAL 15 Ca -0.09 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xhj h VAL 15 Cb 0.70 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1xhj h VAL 15 CO 0.15 0.03 -0.22 0.40 0.02 0.00 0.00 177.57 177.95 1xhj h ILE 16 N 0.15 0.48 -0.61 4.57 2.04 0.14 0.25 117.51 124.52 1xhj h ILE 16 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1xhj h ILE 16 Cb -0.01 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.45 1xhj h ILE 16 CO -0.01 0.00 0.09 -0.08 0.00 0.00 0.00 178.15 178.16 1xhj h GLU 17 N -0.33 0.21 -0.53 2.37 4.22 -1.05 0.95 114.58 120.41 1xhj h GLU 17 Ca 0.07 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.41 1xhj h GLU 17 Cb 0.43 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1xhj h GLU 17 CO -0.22 0.14 -0.01 -0.09 -2.18 0.00 0.00 179.01 176.64 1xhj h ARG 18 N 0.21 0.92 0.00 1.92 9.65 -0.76 -2.91 114.38 123.41 1xhj h ARG 18 Ca 0.33 -0.27 -0.11 0.00 -1.10 0.00 0.00 59.98 58.82 1xhj h ARG 18 Cb 0.51 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1xhj h ARG 18 CO -0.45 0.92 -0.54 1.25 2.80 0.00 0.00 179.97 183.95 1xhj h LEU 19 N 0.85 0.00 -0.90 3.80 5.85 0.13 -3.36 115.31 121.67 1xhj h LEU 19 Ca 0.16 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1xhj h LEU 19 Cb 0.52 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 1xhj h LEU 19 CO 0.03 0.54 -0.54 0.03 -0.34 0.00 0.00 178.44 178.16 1xhj h ARG 20 N 0.00 -0.01 -1.25 1.25 3.08 0.11 0.11 114.38 117.67 1xhj h ARG 20 Ca -0.01 0.00 0.39 0.00 0.07 0.00 0.00 59.98 60.44 1xhj h ARG 20 Cb 1.26 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.19 1xhj h ARG 20 CO 0.07 -0.01 0.80 -1.00 -1.07 0.00 0.00 179.97 178.77 1xhj h PRO 21 N -0.01 0.15 -0.01 0.04 0.13 -1.74 0.13 132.00 130.70 1xhj h PRO 21 Ca 0.14 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.16 1xhj h PRO 21 Cb 0.38 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.48 1xhj h PRO 21 CO -0.85 0.10 -0.40 0.74 -0.23 0.00 0.00 178.00 177.37 1xhj h PHE 22 N 0.16 0.42 -0.88 1.56 0.04 -1.05 -3.22 116.94 113.96 1xhj h PHE 22 Ca 0.76 -0.22 0.04 0.00 2.80 0.00 0.00 57.97 61.35 1xhj h PHE 22 Cb 2.31 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 40.35 1xhj h PHE 22 CO -0.00 1.02 0.58 -0.07 -0.60 0.00 0.00 178.31 179.23 1xhj h LEU 23 N -0.31 0.93 0.38 1.54 4.07 -0.20 -2.62 115.31 119.10 1xhj h LEU 23 Ca -0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1xhj h LEU 23 Cb 1.12 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 1xhj h LEU 23 CO 0.08 0.63 -0.46 0.25 -1.08 0.00 0.00 178.44 177.85 1xhj h LEU 24 N 1.07 -1.30 -1.54 1.67 6.46 0.13 2.72 115.31 124.53 1xhj h LEU 24 Ca 0.36 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 58.32 1xhj h LEU 24 Cb 0.07 0.44 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1xhj h LEU 24 CO -0.11 -0.60 0.43 0.03 -0.62 0.00 0.00 178.44 177.57 1xhj h ARG 25 N -0.87 0.52 0.00 1.25 2.47 -1.52 -3.31 114.38 112.92 1xhj h ARG 25 Ca -0.03 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 1xhj h ARG 25 Cb 0.79 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1xhj h ARG 25 CO -0.11 0.34 -1.19 -0.25 0.56 0.00 0.00 179.97 179.32 1xhj n ASP 26 N -4.48 1.92 0.00 7.04 8.00 -0.96 -4.96 116.55 123.11 1xhj n ASP 26 Ca 0.10 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1xhj n ASP 26 Cb 0.32 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1xhj n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhj n GLY 27 N 1.47 -0.31 0.00 0.44 0.00 0.80 -4.54 105.19 103.05 1xhj n GLY 27 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 2.14 -1.00 3.31 -0.02 0.00 0.47 -4.14 105.19 105.96 1xhj n GLY 28 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xhj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhj s ASP 29 N -4.00 3.91 0.50 1.61 1.01 0.44 0.01 116.67 120.15 1xhj s ASP 29 Ca 0.00 -0.41 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 1xhj s ASP 29 Cb 0.00 -1.62 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 1xhj s ASP 29 CO 0.00 0.08 0.86 0.00 0.21 0.00 0.00 175.17 176.33 1xhj s THR 31 N -2.74 -0.41 -0.03 0.00 2.01 -0.58 -4.95 115.64 108.93 1xhj s THR 31 Ca 0.51 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1xhj s THR 31 Cb -0.10 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1xhj s THR 31 CO 0.42 -0.04 1.28 -0.22 -0.69 0.00 0.00 174.62 175.37 1xhj s LEU 32 N 2.41 4.29 -0.26 4.42 2.96 -1.26 -0.60 118.68 130.64 1xhj s LEU 32 Ca 0.05 1.93 -0.11 0.00 -0.22 0.00 0.00 54.13 55.78 1xhj s LEU 32 Cb -0.14 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 42.85 1xhj s LEU 32 CO -0.11 -0.64 -0.26 0.52 -1.32 0.00 0.00 176.35 174.55 1xhj n VAL 33 N 4.64 1.53 -3.61 1.68 0.31 -0.02 -4.95 118.33 117.90 1xhj n VAL 33 Ca 0.12 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1xhj n VAL 33 Cb 0.45 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 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 -7.23 -0.53 -0.23 4.52 2.15 -0.99 -4.98 116.67 109.39 1xhj s ASP 34 Ca -0.37 0.87 -0.06 0.00 0.43 0.00 0.00 52.55 53.42 1xhj s ASP 34 Cb 0.13 0.84 -0.03 0.00 -0.30 0.00 0.00 42.92 43.56 1xhj s ASP 34 CO 0.53 -0.28 0.04 0.54 -0.17 0.00 0.00 175.17 175.83 1xhj s VAL 35 N -0.22 4.15 -0.36 1.11 0.11 -1.26 -1.04 120.40 122.88 1xhj s VAL 35 Ca -0.00 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1xhj s VAL 35 Cb -0.03 -2.91 0.15 0.00 -1.53 0.00 0.00 36.38 32.05 1xhj s VAL 35 CO -0.01 0.38 0.25 -0.70 -3.33 0.00 0.00 175.10 171.70 1xhj s GLU 36 N 1.30 0.61 0.00 1.54 2.56 -1.26 -5.00 118.70 118.45 1xhj s GLU 36 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 54.97 53.63 1xhj s GLU 36 Cb -0.15 -1.24 0.00 0.00 2.00 0.00 0.00 34.13 34.75 1xhj s GLU 36 CO 0.02 -1.24 0.00 -3.47 -0.56 0.00 0.00 175.26 170.02 1xhj n ASP 37 N 3.88 0.00 0.00 -1.70 -0.08 -1.26 0.11 116.55 117.50 1xhj n ASP 37 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1xhj n ASP 37 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xhj n GLY 38 N 0.00 0.26 2.42 0.27 0.00 -1.26 -4.84 105.19 102.04 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 -0.62 4.70 -2.37 -0.61 -0.00 0.12 -3.94 119.36 116.65 1xhj n ILE 39 Ca 0.00 -3.44 -0.43 0.00 -0.00 0.00 0.00 62.75 58.89 1xhj n ILE 39 Cb 0.00 -2.37 -0.02 0.00 -0.00 0.00 0.00 39.64 37.25 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 0.67 4.09 0.09 1.39 1.01 -1.26 -4.03 120.40 122.35 1xhj s VAL 40 Ca 0.61 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 1xhj s VAL 40 Cb 0.18 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1xhj s VAL 40 CO -0.07 -0.38 0.58 -0.54 0.00 0.00 0.00 175.10 174.69 1xhj s LYS 41 N 4.13 4.21 0.35 2.72 1.02 -0.21 -2.61 119.74 129.34 1xhj s LYS 41 Ca 0.59 0.75 -0.13 0.00 0.02 0.00 0.00 55.97 57.19 1xhj s LYS 41 Cb -0.19 -3.21 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1xhj s LYS 41 CO 0.23 0.62 0.70 1.47 -0.92 0.00 0.00 175.35 177.44 1xhj n LEU 42 N 1.61 0.00 -4.19 3.17 -0.00 0.23 -0.84 117.00 116.98 1xhj n LEU 42 Ca -0.10 -2.29 -0.12 0.00 -0.00 0.00 0.00 56.01 53.50 1xhj n LEU 42 Cb 0.51 3.38 -0.09 0.00 -0.00 0.00 0.00 43.42 47.21 1xhj n LEU 42 CO 0.42 -0.76 -0.20 -1.10 -0.00 0.00 0.00 177.39 175.75 1xhj s GLN 43 N -2.09 1.27 -0.14 1.47 -0.21 0.23 -1.07 119.66 119.12 1xhj s GLN 43 Ca 0.14 -1.63 -0.12 0.00 0.02 0.00 0.00 55.36 53.76 1xhj s GLN 43 Cb -0.04 0.29 0.04 0.00 1.00 0.00 0.00 33.01 34.30 1xhj s GLN 43 CO 0.11 -0.43 0.38 -1.17 -2.12 0.00 0.00 175.29 172.06 1xhj s LEU 44 N -3.17 0.48 -0.28 2.90 0.20 -0.94 -1.53 118.68 116.35 1xhj s LEU 44 Ca 0.38 0.77 -0.17 0.00 0.69 0.00 0.00 54.13 55.80 1xhj s LEU 44 Cb 0.06 1.29 0.10 0.00 -0.43 0.00 0.00 46.19 47.20 1xhj s LEU 44 CO 0.13 -0.14 0.77 -1.38 -0.29 0.00 0.00 176.35 175.44 1xhj s HIS 45 N 0.36 -0.93 -0.10 5.38 -3.43 -0.75 -4.25 115.29 111.58 1xhj s HIS 45 Ca -0.01 1.88 0.13 0.00 -0.80 0.00 0.00 55.06 56.26 1xhj s HIS 45 Cb -0.03 0.54 -0.19 0.00 -1.43 0.00 0.00 32.58 31.47 1xhj s HIS 45 CO -0.01 -0.46 0.15 0.41 -2.00 0.00 0.00 174.74 172.83 1xhj n GLY 46 N 4.04 -0.69 0.00 -1.38 0.00 -1.26 0.17 105.19 106.06 1xhj n GLY 46 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.35 0.00 0.01 4.61 0.00 -1.26 -4.86 120.51 116.66 1xhj n ALA 47 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xhj n ALA 47 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.17 2.15 0.48 0.00 0.00 -1.26 -4.76 105.19 100.63 1xhj n GLY 49 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 -2.92 2.61 5.66 -1.26 -5.05 114.28 113.32 1xhj n THR 50 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1xhj n THR 50 Cb 0.00 -0.01 -0.01 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.49 4.24 0.04 0.00 0.02 -1.26 -4.90 135.00 133.63 1xhj s PRO 52 Ca 0.31 1.84 0.12 0.00 0.02 0.00 0.00 61.00 63.29 1xhj s PRO 52 Cb 0.07 -3.76 -0.19 0.00 0.02 0.00 0.00 34.50 30.64 1xhj s PRO 52 CO -0.13 -0.69 0.90 1.03 -0.33 0.00 0.00 177.00 177.78 1xhj h SER 53 N 8.38 0.00 -0.39 2.53 0.87 -1.99 -3.21 113.55 119.74 1xhj h SER 53 Ca -0.32 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 1xhj h SER 53 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1xhj h SER 53 CO 0.95 0.89 -0.18 -1.28 -0.53 0.00 0.00 176.83 176.67 1xhj h SER 54 N 0.00 0.83 -0.17 6.23 0.87 -1.90 -1.49 113.55 117.92 1xhj h SER 54 Ca -0.18 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 59.96 1xhj h SER 54 Cb 1.84 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 1xhj h SER 54 CO 0.09 1.05 0.01 0.74 -0.53 0.00 0.00 176.83 178.18 1xhj h THR 55 N 0.61 1.25 -0.15 2.23 2.02 -1.80 0.92 112.91 117.99 1xhj h THR 55 Ca 0.09 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.46 1xhj h THR 55 Cb 0.74 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1xhj h THR 55 CO 0.06 0.24 0.07 0.40 0.37 0.00 0.00 175.52 176.66 1xhj h ILE 56 N 0.05 0.99 -0.33 3.11 2.04 -1.55 -0.61 117.51 121.21 1xhj h ILE 56 Ca 0.05 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1xhj h ILE 56 Cb 0.36 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1xhj h ILE 56 CO 0.01 0.03 0.08 0.74 0.00 0.00 0.00 178.15 179.01 1xhj h THR 57 N 0.15 1.22 0.54 -0.27 2.02 -1.24 -2.40 112.91 112.92 1xhj h THR 57 Ca 0.06 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1xhj h THR 57 Cb 0.01 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1xhj h THR 57 CO -0.04 0.25 -0.36 0.25 0.37 0.00 0.00 175.52 175.99 1xhj h LEU 58 N 0.38 -0.91 -0.47 2.58 5.85 -0.63 -0.79 115.31 121.32 1xhj h LEU 58 Ca 0.10 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.97 1xhj h LEU 58 Cb 0.29 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 1xhj h LEU 58 CO 0.00 -0.55 -0.33 0.50 -0.34 0.00 0.00 178.44 177.73 1xhj h LYS 59 N -0.86 -0.21 -0.01 1.25 1.63 -1.12 0.84 116.57 118.09 1xhj h LYS 59 Ca -0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1xhj h LYS 59 Cb 0.71 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1xhj h LYS 59 CO 0.04 -0.14 0.05 0.00 -3.45 0.00 0.00 179.45 175.95 1xhj h ALA 60 N 0.85 1.18 -0.05 5.00 0.00 -1.23 -1.40 119.26 123.60 1xhj h ALA 60 Ca 0.19 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1xhj h ALA 60 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xhj h ALA 60 CO -0.59 -0.06 -0.44 0.78 0.00 0.00 0.00 179.25 178.94 1xhj h GLY 61 N 0.00 0.43 0.63 0.00 0.00 0.22 -2.44 103.07 101.91 1xhj h GLY 61 Ca 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1xhj h GLY 61 CO -0.00 0.59 -0.30 -2.22 0.00 0.00 0.00 176.54 174.61 1xhj h ILE 62 N -0.10 0.00 -0.86 2.60 1.08 -0.38 -2.39 117.51 117.47 1xhj h ILE 62 Ca -0.04 -0.24 0.21 0.00 -0.39 0.00 0.00 64.86 64.40 1xhj h ILE 62 Cb 1.12 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.72 1xhj h ILE 62 CO 0.09 0.00 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.22 1xhj h GLU 63 N -1.08 0.07 -0.48 2.37 5.08 -1.44 0.41 114.58 119.51 1xhj h GLU 63 Ca -0.09 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1xhj h GLU 63 Cb 0.65 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1xhj h GLU 63 CO 0.14 0.04 0.12 0.00 -1.00 0.00 0.00 179.01 178.32 1xhj h ARG 64 N 0.07 0.26 0.44 2.33 2.47 -1.39 0.23 114.38 118.78 1xhj h ARG 64 Ca 0.48 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.17 1xhj h ARG 64 Cb 0.90 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1xhj h ARG 64 CO -0.78 0.17 -0.24 0.00 0.56 0.00 0.00 179.97 179.68 1xhj h ALA 65 N 1.35 -0.63 0.33 0.04 0.00 0.29 -1.08 119.26 119.57 1xhj h ALA 65 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xhj h ALA 65 Cb 0.29 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xhj h ALA 65 CO -0.29 -0.86 -0.30 -0.07 0.00 0.00 0.00 179.25 177.73 1xhj h LEU 66 N -0.63 -0.82 -0.86 0.00 4.07 -0.77 0.25 115.31 116.55 1xhj h LEU 66 Ca -0.05 0.06 0.17 0.00 0.08 0.00 0.00 57.88 58.13 1xhj h LEU 66 Cb 0.50 0.27 -0.16 0.00 1.08 0.00 0.00 40.66 42.34 1xhj h LEU 66 CO 0.08 -0.41 -0.25 0.45 -1.08 0.00 0.00 178.44 177.23 1xhj h HIS 67 N -0.63 -0.58 0.00 1.13 3.86 -0.58 1.77 115.15 120.12 1xhj h HIS 67 Ca -0.04 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xhj h HIS 67 Cb 0.53 0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1xhj h HIS 67 CO -0.15 -0.38 0.00 0.39 0.86 0.00 0.00 177.93 178.65 1xhj n GLU 68 N -5.54 0.19 -3.24 2.45 1.02 -0.41 -4.37 120.64 110.75 1xhj n GLU 68 Ca 0.12 0.42 -0.03 0.00 -0.02 0.00 0.00 57.16 57.64 1xhj n GLU 68 Cb 0.43 -1.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1xhj n GLU 68 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xhj s GLU 69 N -3.31 0.53 -0.44 3.49 2.02 0.59 -5.06 118.70 116.51 1xhj s GLU 69 Ca 0.04 0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.31 1xhj s GLU 69 Cb 0.09 -0.07 0.29 0.00 0.10 0.00 0.00 34.13 34.54 1xhj s GLU 69 CO 0.39 -1.07 0.66 1.33 0.02 0.00 0.00 175.26 176.59 1xhj n VAL 70 N 5.22 0.28 0.97 2.63 0.24 -0.57 -3.99 118.33 123.12 1xhj n VAL 70 Ca 0.04 -4.51 0.00 0.00 -2.04 0.00 0.00 64.34 57.83 1xhj n VAL 70 Cb 0.52 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1xhj n VAL 70 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1xhj n PRO 71 N 0.84 0.97 0.00 7.34 -0.02 -1.26 -4.01 135.00 138.86 1xhj n PRO 71 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1xhj n PRO 71 Cb 0.54 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1xhj n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhj n GLY 72 N 0.49 -0.21 3.77 -1.23 0.00 -1.26 -5.14 105.19 101.61 1xhj n GLY 72 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.90 3.03 0.00 1.61 0.11 -1.26 -4.29 120.40 117.71 1xhj s VAL 73 Ca 0.00 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1xhj s VAL 73 Cb 0.00 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1xhj s VAL 73 CO 0.00 0.01 0.00 -0.38 -3.33 0.00 0.00 175.10 171.40 1xhj n ILE 74 N -0.41 0.00 -3.15 7.04 5.41 -1.25 -4.80 119.36 122.19 1xhj n ILE 74 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.86 1xhj n ILE 74 Cb 0.47 -1.38 -0.01 0.00 -0.71 0.00 0.00 39.64 38.01 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 0.39 0.83 0.38 2.12 -1.26 -5.05 118.70 114.12 1xhj s GLU 75 Ca 0.00 0.66 -0.10 0.00 0.36 0.00 0.00 54.97 55.88 1xhj s GLU 75 Cb 0.00 0.36 0.14 0.00 0.26 0.00 0.00 34.13 34.88 1xhj s GLU 75 CO 0.00 -0.46 1.17 0.14 -0.54 0.00 0.00 175.26 175.57 1xhj s VAL 76 N 2.90 2.09 -0.39 3.70 -7.23 -1.26 -4.24 120.40 115.97 1xhj s VAL 76 Ca 0.11 -0.17 0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1xhj s VAL 76 Cb -0.12 -2.92 0.16 0.00 0.56 0.00 0.00 36.38 34.06 1xhj s VAL 76 CO -0.17 0.00 0.37 -1.61 -0.31 0.00 0.00 175.10 173.37 1xhj s GLU 77 N -5.56 0.71 -0.71 4.82 0.41 -1.07 -4.96 118.70 112.34 1xhj s GLU 77 Ca 0.67 -1.21 -0.16 0.00 -0.41 0.00 0.00 54.97 53.87 1xhj s GLU 77 Cb -0.07 -0.91 0.16 0.00 -1.78 0.00 0.00 34.13 31.53 1xhj s GLU 77 CO 0.49 -1.25 0.71 -1.14 -0.49 0.00 0.00 175.26 173.58 1xhj s GLN 78 N 1.05 3.32 0.64 1.61 0.74 -1.25 -0.60 119.66 125.17 1xhj s GLN 78 Ca 0.21 -1.96 -0.05 0.00 0.05 0.00 0.00 55.36 53.62 1xhj s GLN 78 Cb -0.12 -4.41 0.04 0.00 1.10 0.00 0.00 33.01 29.62 1xhj s GLN 78 CO -0.05 -1.40 0.94 0.14 -0.55 0.00 0.00 175.29 174.37 1xhj s VAL 79 N 1.32 2.76 -0.21 1.34 -7.23 -0.23 -4.86 120.40 113.29 1xhj s VAL 79 Ca 0.14 -0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1xhj s VAL 79 Cb -0.18 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 1xhj s VAL 79 CO -0.03 -0.14 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.21 1xhj s PHE 80 N -3.09 2.94 -1.06 2.82 0.08 -1.26 -2.21 117.98 116.20 1xhj s PHE 80 Ca 0.58 -0.94 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 1xhj s PHE 80 Cb -0.11 -2.07 -0.14 0.00 -0.57 0.00 0.00 43.02 40.14 1xhj s PHE 80 CO 0.44 -0.52 2.06 -1.17 -0.10 0.00 0.00 175.22 175.93 1xhj s LEU 81 N 1.34 2.79 1.48 -0.37 2.96 -1.26 -4.91 118.68 120.71 1xhj s LEU 81 Ca 0.04 -1.06 -0.24 0.00 -0.22 0.00 0.00 54.13 52.64 1xhj s LEU 81 Cb -0.14 -2.58 0.39 0.00 0.50 0.00 0.00 46.19 44.35 1xhj s LEU 81 CO -0.03 -3.76 0.89 -1.83 -1.32 0.00 0.00 176.35 170.30 1xhj s GLU 82 N 7.57 -3.41 0.00 1.98 -1.05 -1.26 -4.98 118.70 117.56 1xhj s GLU 82 Ca 0.76 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 1xhj s GLU 82 Cb -0.05 -1.32 0.00 0.00 -0.44 0.00 0.00 34.13 32.32 1xhj s GLU 82 CO 0.12 -5.18 0.00 -2.39 0.95 0.00 0.00 175.26 168.76 1xhj n HIS 83 N -5.85 0.00 -0.82 4.83 1.44 -1.26 -5.16 115.22 108.40 1xhj n HIS 83 Ca 0.14 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.76 1xhj n HIS 83 Cb 0.61 0.01 0.07 0.00 0.12 0.00 0.00 29.99 30.79 1xhj n HIS 83 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1xhj n HIS 84 N 0.00 -3.46 0.00 -1.40 1.44 -1.26 -5.08 115.22 105.46 1xhj n HIS 84 Ca 0.00 -0.29 0.00 0.00 -2.01 0.00 0.00 57.72 55.42 1xhj n HIS 84 Cb 0.04 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 29.84 1xhj n HIS 84 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xhj n HIS 85 N -2.97 0.00 -2.94 -1.40 8.25 -1.26 -4.94 115.22 109.96 1xhj n HIS 85 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1xhj n HIS 85 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1xhj n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xhj n HIS 86 N -0.21 3.35 -1.59 4.41 -0.00 -1.26 -5.06 115.22 114.87 1xhj n HIS 86 Ca 0.00 -3.40 -0.29 0.00 -0.00 0.00 0.00 57.72 54.03 1xhj n HIS 86 Cb 0.00 -0.82 0.11 0.00 -0.00 0.00 0.00 29.99 29.28 1xhj n HIS 86 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1xhj s HIS 87 N -3.47 2.68 -2.17 4.41 5.04 -1.26 -5.32 115.29 115.20 1xhj s HIS 87 Ca 0.42 0.94 0.31 0.00 -1.54 0.00 0.00 55.06 55.19 1xhj s HIS 87 Cb 0.20 -3.31 1.61 0.00 0.04 0.00 0.00 32.58 31.13 1xhj s HIS 87 CO -0.08 -2.08 2.06 0.72 -2.34 0.00 0.00 174.74 173.02