#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgc n LEU 6 N 0.00 1.39 -0.09 -0.35 7.99 -1.26 -4.52 117.00 120.16 2hgc n LEU 6 Ca 0.00 -0.60 -0.14 0.00 -0.01 0.00 0.00 56.01 55.26 2hgc n LEU 6 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 2hgc n LEU 6 CO 0.00 0.30 0.50 -0.09 -1.51 0.00 0.00 177.39 176.59 2hgc h ARG 7 N 0.95 0.80 -0.85 3.23 2.43 -1.95 -2.68 114.38 116.31 2hgc h ARG 7 Ca 0.00 -0.47 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2hgc h ARG 7 Cb 0.59 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2hgc h ARG 7 CO 0.00 1.10 0.55 -0.92 -1.51 0.00 0.00 179.97 179.19 2hgc h TYR 8 N 0.57 1.04 -0.31 2.20 3.20 -1.99 -1.09 116.97 120.59 2hgc h TYR 8 Ca 0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2hgc h TYR 8 Cb 1.01 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2hgc h TYR 8 CO 0.07 0.61 0.16 0.00 -1.64 0.00 0.00 178.16 177.37 2hgc h ALA 9 N 1.34 0.38 -0.72 1.82 0.00 -1.77 -1.82 119.26 118.50 2hgc h ALA 9 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2hgc h ALA 9 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2hgc h ALA 9 CO -0.11 -0.21 0.27 0.82 0.00 0.00 0.00 179.25 180.02 2hgc h ILE 10 N 0.34 1.25 -0.23 0.00 2.04 -1.17 -2.39 117.51 117.35 2hgc h ILE 10 Ca 0.12 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.22 2hgc h ILE 10 Cb 0.02 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 2hgc h ILE 10 CO -0.07 0.32 -0.07 -0.07 0.00 0.00 0.00 178.15 178.26 2hgc h LEU 11 N 1.03 -0.25 -0.77 1.44 3.38 -0.67 -1.71 115.31 117.76 2hgc h LEU 11 Ca 0.24 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 2hgc h LEU 11 Cb 0.24 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2hgc h LEU 11 CO -0.02 -0.09 -0.60 0.07 0.09 0.00 0.00 178.44 177.89 2hgc h LYS 12 N -0.02 0.00 0.00 1.13 2.10 -1.19 -2.21 116.57 116.38 2hgc h LYS 12 Ca 0.12 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.66 2hgc h LYS 12 Cb 0.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 2hgc h LYS 12 CO -0.25 0.60 -0.52 0.93 -2.00 0.00 0.00 179.45 178.21 2hgc h GLU 13 N 0.00 0.00 -0.26 0.07 4.39 -1.08 0.48 114.58 118.18 2hgc h GLU 13 Ca -0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2hgc h GLU 13 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2hgc h GLU 13 CO 0.08 0.52 -0.43 0.82 -1.16 0.00 0.00 179.01 178.83 2hgc h ILE 14 N 0.00 1.30 0.00 3.13 2.04 -0.93 -0.24 117.51 122.81 2hgc h ILE 14 Ca -0.01 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 2hgc h ILE 14 Cb 0.93 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2hgc h ILE 14 CO 0.07 0.51 -0.00 0.15 0.00 0.00 0.00 178.15 178.88 2hgc h PHE 15 N 0.51 -0.00 0.18 1.37 3.57 -0.79 -2.55 116.94 119.22 2hgc h PHE 15 Ca 0.04 -0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.20 2hgc h PHE 15 Cb 0.96 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.71 2hgc h PHE 15 CO 0.04 0.89 -1.65 0.93 -2.23 0.00 0.00 178.31 176.29 2hgc h GLU 16 N -0.92 0.37 0.00 1.11 5.08 -0.19 -3.31 114.58 116.72 2hgc h GLU 16 Ca -0.00 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2hgc h GLU 16 Cb 0.90 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2hgc h GLU 16 CO 0.00 1.27 -0.01 0.78 -1.00 0.00 0.00 179.01 180.06 2hgc h GLY 17 N 0.92 0.00 -0.77 -3.84 0.00 -1.16 -3.47 103.07 94.75 2hgc h GLY 17 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.72 2hgc h GLY 17 CO 0.19 0.00 -0.28 -2.01 0.00 0.00 0.00 176.54 174.44 2hgc n ASN 18 N -3.10 -4.78 -1.29 0.19 4.05 -0.96 -4.75 115.26 104.62 2hgc n ASN 18 Ca 0.03 0.35 0.15 0.00 0.45 0.00 0.00 54.58 55.56 2hgc n ASN 18 Cb 0.47 -3.60 -0.07 0.00 1.23 0.00 0.00 39.78 37.81 2hgc n ASN 18 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2hgc n THR 19 N -2.64 -0.37 -1.87 -0.44 -2.24 -1.23 -4.71 114.28 100.78 2hgc n THR 19 Ca -0.15 0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 61.92 2hgc n THR 19 Cb 0.49 -0.98 0.11 0.00 -2.10 0.00 0.00 70.33 67.85 2hgc n THR 19 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2hgc s PRO 20 N -3.82 1.72 -0.09 -0.78 0.04 -1.22 -4.65 135.00 126.20 2hgc s PRO 20 Ca 0.00 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.08 2hgc s PRO 20 Cb 0.00 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2hgc s PRO 20 CO 0.00 -1.76 -0.00 -1.17 0.04 0.00 0.00 177.00 174.11 2hgc s LEU 21 N -5.66 0.75 0.67 -3.56 2.96 -1.26 -4.99 118.68 107.60 2hgc s LEU 21 Ca 0.64 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 2hgc s LEU 21 Cb -0.10 -0.52 0.05 0.00 0.50 0.00 0.00 46.19 46.12 2hgc s LEU 21 CO 0.50 -0.20 0.98 -0.44 -1.32 0.00 0.00 176.35 175.87 2hgc s SER 22 N 1.92 4.99 0.19 3.68 0.01 -1.26 -4.83 113.70 118.40 2hgc s SER 22 Ca 0.04 0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.68 2hgc s SER 22 Cb -0.13 -1.20 0.09 0.00 0.21 0.00 0.00 66.02 65.00 2hgc s SER 22 CO -0.06 -1.47 1.69 1.05 0.41 0.00 0.00 173.24 174.87 2hgc h GLU 23 N -0.48 1.07 0.00 12.44 9.09 -1.93 -2.35 114.58 132.42 2hgc h GLU 23 Ca -0.44 -0.27 0.00 0.00 0.05 0.00 0.00 59.36 58.70 2hgc h GLU 23 Cb 1.30 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2hgc h GLU 23 CO 0.60 0.97 0.00 -0.91 0.05 0.00 0.00 179.01 179.72 2hgc h ASN 24 N 1.00 0.00 -0.03 3.06 2.35 -1.92 0.21 115.58 120.25 2hgc h ASN 24 Ca 0.21 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.76 2hgc h ASN 24 Cb 0.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.77 2hgc h ASN 24 CO 0.01 0.00 -0.74 0.44 -1.65 0.00 0.00 177.43 175.49 2hgc h ASP 25 N 0.00 0.69 0.33 5.81 3.32 -1.79 -3.35 116.42 121.44 2hgc h ASP 25 Ca 0.00 -0.73 -0.33 0.00 0.02 0.00 0.00 57.03 56.00 2hgc h ASP 25 Cb 0.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2hgc h ASP 25 CO 0.00 1.33 -1.75 -0.29 -1.72 0.00 0.00 179.24 176.80 2hgc h ILE 26 N 0.13 0.88 0.00 0.35 -0.00 -1.33 -3.49 117.51 114.05 2hgc h ILE 26 Ca -0.08 -2.60 0.00 0.00 -0.00 0.00 0.00 64.86 62.18 2hgc h ILE 26 Cb 1.42 2.59 0.00 0.00 -0.00 0.00 0.00 36.82 40.82 2hgc h ILE 26 CO 0.15 0.77 0.00 0.61 -0.00 0.00 0.00 178.15 179.68 2hgc n GLY 27 N 1.77 1.95 3.92 8.18 0.00 0.72 -5.08 105.19 116.65 2hgc n GLY 27 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2hgc n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgc s VAL 28 N -1.83 4.69 0.89 1.61 -7.23 -1.11 -4.92 120.40 112.51 2hgc s VAL 28 Ca 0.00 -0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.01 2hgc s VAL 28 Cb 0.00 -3.77 0.20 0.00 0.56 0.00 0.00 36.38 33.37 2hgc s VAL 28 CO 0.00 -0.67 1.22 0.28 -0.31 0.00 0.00 175.10 175.62 2hgc s THR 29 N -2.65 2.00 0.19 5.32 -1.32 -1.26 -4.25 115.64 113.67 2hgc s THR 29 Ca 0.47 -0.26 -0.13 0.00 -1.21 0.00 0.00 61.69 60.56 2hgc s THR 29 Cb -0.10 -2.74 0.09 0.00 -1.51 0.00 0.00 72.50 68.25 2hgc s THR 29 CO 0.42 0.00 1.84 -0.33 -2.21 0.00 0.00 174.62 174.34 2hgc h GLU 30 N -1.29 0.75 0.11 7.08 5.08 -1.98 0.35 114.58 124.67 2hgc h GLU 30 Ca -0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2hgc h GLU 30 Cb 1.23 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2hgc h GLU 30 CO 0.33 0.49 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.22 2hgc h ASP 31 N 0.77 -0.49 -0.30 1.42 5.19 -1.99 0.19 116.42 121.21 2hgc h ASP 31 Ca 0.23 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 2hgc h ASP 31 Cb -0.05 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2hgc h ASP 31 CO -0.07 -0.26 0.10 1.56 -3.12 0.00 0.00 179.24 177.46 2hgc h GLN 32 N -0.35 0.46 -0.54 3.56 4.20 -1.83 -0.86 115.11 119.75 2hgc h GLN 32 Ca 0.02 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.65 2hgc h GLN 32 Cb 0.36 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2hgc h GLN 32 CO -0.09 0.50 0.35 0.35 -0.67 0.00 0.00 178.83 179.27 2hgc h PHE 33 N 0.33 0.66 0.45 2.96 3.57 -0.84 -1.07 116.94 123.01 2hgc h PHE 33 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2hgc h PHE 33 Cb 0.22 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2hgc h PHE 33 CO 0.00 0.40 -0.28 0.22 -2.23 0.00 0.00 178.31 176.42 2hgc h ASP 34 N 0.71 -0.71 -0.87 0.41 1.82 -0.35 -0.61 116.42 116.81 2hgc h ASP 34 Ca 0.21 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.94 2hgc h ASP 34 Cb -0.05 0.21 -0.06 0.00 0.68 0.00 0.00 39.33 40.11 2hgc h ASP 34 CO -0.06 -0.45 0.55 -0.78 -1.61 0.00 0.00 179.24 176.89 2hgc h ASP 35 N -0.70 0.88 0.60 2.28 3.58 -1.00 -1.11 116.42 120.95 2hgc h ASP 35 Ca -0.05 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2hgc h ASP 35 Cb 0.58 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.46 2hgc h ASP 35 CO 0.05 0.58 -0.29 0.00 -2.88 0.00 0.00 179.24 176.70 2hgc h ALA 36 N 1.39 -0.80 -0.67 -0.78 0.00 -1.02 -2.53 119.26 114.85 2hgc h ALA 36 Ca 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2hgc h ALA 36 Cb 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2hgc h ALA 36 CO -0.15 -0.84 0.33 0.28 0.00 0.00 0.00 179.25 178.87 2hgc h VAL 37 N -1.03 1.22 -0.33 0.00 2.07 -0.91 -0.82 116.25 116.45 2hgc h VAL 37 Ca -0.08 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2hgc h VAL 37 Cb 0.67 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2hgc h VAL 37 CO 0.13 0.26 0.19 0.78 0.02 0.00 0.00 177.57 178.95 2hgc h ASN 38 N 0.93 0.40 -0.55 0.57 2.35 -1.28 -1.61 115.58 116.39 2hgc h ASN 38 Ca 0.23 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2hgc h ASN 38 Cb 0.10 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2hgc h ASN 38 CO -0.03 0.35 0.17 0.15 -1.65 0.00 0.00 177.43 176.41 2hgc h PHE 39 N 0.42 0.93 -0.30 1.19 3.57 -1.11 0.21 116.94 121.86 2hgc h PHE 39 Ca 0.12 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2hgc h PHE 39 Cb 0.02 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 2hgc h PHE 39 CO -0.04 0.76 0.17 -0.07 -2.23 0.00 0.00 178.31 176.90 2hgc h LEU 40 N 0.87 0.37 -0.52 0.59 3.38 -0.75 0.62 115.31 119.87 2hgc h LEU 40 Ca 0.19 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2hgc h LEU 40 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2hgc h LEU 40 CO -0.01 0.34 -0.35 0.50 0.09 0.00 0.00 178.44 179.02 2hgc h LYS 41 N 0.37 0.83 -0.76 1.13 1.63 -1.02 0.38 116.57 119.12 2hgc h LYS 41 Ca 0.11 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.48 2hgc h LYS 41 Cb 0.05 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2hgc h LYS 41 CO -0.02 1.04 0.41 -0.09 -3.45 0.00 0.00 179.45 177.35 2hgc h ARG 42 N 0.69 1.06 0.11 1.90 2.43 -0.23 -2.82 114.38 117.53 2hgc h ARG 42 Ca 0.07 -0.13 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 2hgc h ARG 42 Cb 0.91 -0.21 0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2hgc h ARG 42 CO 0.08 0.79 -1.19 1.49 -1.51 0.00 0.00 179.97 179.63 2hgc h GLU 43 N 1.05 0.62 0.00 0.20 4.22 -0.85 -3.48 114.58 116.34 2hgc h GLU 43 Ca 0.27 -0.81 0.00 0.00 0.08 0.00 0.00 59.36 58.90 2hgc h GLU 43 Cb 0.04 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hgc h GLU 43 CO -0.04 1.36 0.00 0.41 -2.18 0.00 0.00 179.01 178.56 2hgc n GLY 44 N 1.36 1.00 0.08 1.92 0.00 -0.34 -5.05 105.19 104.17 2hgc n GLY 44 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 2hgc n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgc n TYR 45 N -0.00 0.89 -3.94 1.61 4.01 0.12 -4.49 117.16 115.35 2hgc n TYR 45 Ca 0.00 0.32 -0.09 0.00 -0.16 0.00 0.00 57.90 57.97 2hgc n TYR 45 Cb 0.00 -1.15 -0.09 0.00 -0.31 0.00 0.00 39.34 37.79 2hgc n TYR 45 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2hgc s ILE 46 N -2.63 0.15 0.40 -0.72 -5.25 -1.25 -1.24 121.20 110.65 2hgc s ILE 46 Ca -0.05 -1.23 0.05 0.00 -0.99 0.00 0.00 60.65 58.43 2hgc s ILE 46 Cb 0.08 -1.09 -0.02 0.00 2.95 0.00 0.00 42.46 44.38 2hgc s ILE 46 CO 0.82 -0.68 0.19 2.30 -1.79 0.00 0.00 174.94 175.78 2hgc n ILE 47 N 0.49 0.00 -1.09 8.37 -5.35 0.91 -4.62 119.36 118.07 2hgc n ILE 47 Ca -0.17 -2.46 -0.03 0.00 -0.27 0.00 0.00 62.75 59.82 2hgc n ILE 47 Cb 0.60 0.97 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 2hgc n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hgc n GLY 48 N -0.84 0.63 3.61 3.28 0.00 -1.26 -0.27 105.19 110.34 2hgc n GLY 48 Ca -0.02 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2hgc n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgc s VAL 49 N -2.07 5.10 -0.42 1.61 1.01 -1.26 -2.98 120.40 121.40 2hgc s VAL 49 Ca 0.00 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 2hgc s VAL 49 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2hgc s VAL 49 CO 0.00 0.10 0.51 -2.28 0.00 0.00 0.00 175.10 173.43 2hgc s HIS 50 N 2.23 3.14 0.12 5.22 2.46 -1.24 -4.93 115.29 122.29 2hgc s HIS 50 Ca 0.19 -0.21 -0.30 0.00 0.47 0.00 0.00 55.06 55.21 2hgc s HIS 50 Cb -0.16 -3.04 -0.06 0.00 -0.13 0.00 0.00 32.58 29.20 2hgc s HIS 50 CO 0.10 -0.73 0.97 0.71 -2.47 0.00 0.00 174.74 173.31 2hgc s TYR 51 N 2.38 3.81 0.00 3.88 1.51 -1.26 -0.47 117.35 127.20 2hgc s TYR 51 Ca 0.16 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 58.02 2hgc s TYR 51 Cb -0.16 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 2hgc s TYR 51 CO 0.15 0.18 0.00 0.43 -1.11 0.00 0.00 175.55 175.21 2hgc n SER 52 N 2.70 0.00 -4.23 2.29 7.64 -0.98 -4.96 113.62 116.08 2hgc n SER 52 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 2hgc n SER 52 Cb 0.49 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 2hgc n SER 52 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2hgc s ASP 53 N 1.00 6.55 0.00 6.43 -4.77 -1.26 -4.77 116.67 119.86 2hgc s ASP 53 Ca 0.00 -3.45 0.00 0.00 -3.30 0.00 0.00 52.55 45.80 2hgc s ASP 53 Cb 0.00 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 2hgc s ASP 53 CO 0.00 -0.29 0.00 -0.67 0.70 0.00 0.00 175.17 174.91 2hgc n ASP 54 N 2.81 0.00 -4.45 2.11 2.03 -1.26 -4.88 116.55 112.92 2hgc n ASP 54 Ca 0.20 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.24 2hgc n ASP 54 Cb 0.39 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.68 2hgc n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgc s ARG 55 N 0.00 1.61 0.40 -0.67 1.70 -1.26 -5.08 118.95 115.65 2hgc s ARG 55 Ca 0.00 -1.46 -0.25 0.00 -0.47 0.00 0.00 55.73 53.55 2hgc s ARG 55 Cb 0.00 -1.91 -0.08 0.00 -0.57 0.00 0.00 34.95 32.39 2hgc s ARG 55 CO 0.00 0.41 1.17 -1.25 -1.08 0.00 0.00 175.30 174.55 2hgc s PRO 56 N -2.64 4.06 -0.14 3.89 0.04 -1.26 -2.32 135.00 136.63 2hgc s PRO 56 Ca 0.21 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2hgc s PRO 56 Cb -0.08 -2.68 0.02 0.00 0.04 0.00 0.00 34.50 31.80 2hgc s PRO 56 CO 0.10 -0.31 -0.15 -1.01 0.04 0.00 0.00 177.00 175.67 2hgc s HIS 57 N -1.42 2.18 -0.49 0.56 3.76 0.38 -4.95 115.29 115.32 2hgc s HIS 57 Ca 0.57 -1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 54.11 2hgc s HIS 57 Cb -0.31 -1.58 0.05 0.00 1.11 0.00 0.00 32.58 31.85 2hgc s HIS 57 CO 0.38 -0.63 0.64 -0.51 -0.85 0.00 0.00 174.74 173.78 2hgc s LEU 58 N 1.31 4.80 0.00 0.89 1.43 -1.26 -3.65 118.68 122.20 2hgc s LEU 58 Ca 0.01 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2hgc s LEU 58 Cb -0.13 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.61 2hgc s LEU 58 CO -0.08 -0.87 0.37 -1.22 0.23 0.00 0.00 176.35 174.78 2hgc n TYR 59 N 6.24 -3.00 -0.02 0.29 4.01 -1.26 -4.02 117.16 119.41 2hgc n TYR 59 Ca -0.05 -0.77 -0.11 0.00 -0.16 0.00 0.00 57.90 56.81 2hgc n TYR 59 Cb 0.46 -0.26 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 2hgc n TYR 59 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hgc h LYS 60 N 0.00 0.15 -6.68 -0.72 1.57 -1.90 -3.23 116.57 105.77 2hgc h LYS 60 Ca -0.12 -0.03 -0.70 0.00 -1.87 0.00 0.00 60.65 57.93 2hgc h LYS 60 Cb 0.49 -0.03 -0.28 0.00 0.08 0.00 0.00 32.23 32.50 2hgc h LYS 60 CO 0.15 0.25 -0.88 -0.51 -0.57 0.00 0.00 179.45 177.89 2hgc s LEU 61 N -9.88 2.13 0.00 2.94 1.02 -1.26 -4.21 118.68 109.43 2hgc s LEU 61 Ca -0.14 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.48 2hgc s LEU 61 Cb 0.06 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.96 2hgc s LEU 61 CO 0.69 0.28 0.00 0.61 0.02 0.00 0.00 176.35 177.95 2hgc n GLY 62 N 2.04 1.94 3.68 -3.19 0.00 -1.26 -5.10 105.19 103.30 2hgc n GLY 62 Ca -0.17 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 2hgc n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgc n PRO 63 N 0.00 2.37 -4.91 1.61 -0.02 -1.16 -4.24 135.00 128.66 2hgc n PRO 63 Ca 0.00 0.86 -0.27 0.00 -2.02 0.00 0.00 63.50 62.07 2hgc n PRO 63 Cb 0.00 -2.69 -0.15 0.00 -0.02 0.00 0.00 33.50 30.64 2hgc n PRO 63 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hgc s GLU 64 N 2.39 1.63 0.03 -0.52 0.41 0.63 -4.94 118.70 118.33 2hgc s GLU 64 Ca 0.84 -0.86 -0.19 0.00 -0.41 0.00 0.00 54.97 54.35 2hgc s GLU 64 Cb -0.62 -1.65 -0.06 0.00 -1.78 0.00 0.00 34.13 30.02 2hgc s GLU 64 CO 0.42 0.44 0.54 -0.51 -0.49 0.00 0.00 175.26 175.66 2hgc s LEU 65 N -0.80 4.48 0.95 1.80 1.02 -1.26 -0.06 118.68 124.81 2hgc s LEU 65 Ca 0.08 1.16 -0.14 0.00 0.02 0.00 0.00 54.13 55.26 2hgc s LEU 65 Cb -0.09 -2.83 0.21 0.00 0.02 0.00 0.00 46.19 43.50 2hgc s LEU 65 CO 0.00 0.23 1.29 0.42 0.02 0.00 0.00 176.35 178.32 2hgc s THR 66 N -0.81 2.00 0.17 5.49 -4.23 -0.37 -4.73 115.64 113.17 2hgc s THR 66 Ca 0.28 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.53 2hgc s THR 66 Cb -0.18 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 70.85 2hgc s THR 66 CO 0.17 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 175.90 2hgc h GLU 67 N -1.55 0.24 -0.04 3.99 4.57 -1.88 0.15 114.58 120.05 2hgc h GLU 67 Ca -0.42 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.76 2hgc h GLU 67 Cb 1.22 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2hgc h GLU 67 CO 0.32 0.16 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.06 2hgc h LYS 68 N 0.25 -0.03 -0.27 1.92 1.63 -1.89 -1.40 116.57 116.77 2hgc h LYS 68 Ca 0.21 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 2hgc h LYS 68 Cb 0.25 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2hgc h LYS 68 CO -0.26 -0.02 0.06 0.78 -3.45 0.00 0.00 179.45 176.56 2hgc h GLY 69 N -0.03 0.48 0.98 5.01 0.00 -1.58 -0.85 103.07 107.07 2hgc h GLY 69 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2hgc h GLY 69 CO -0.07 0.28 0.25 -2.09 0.00 0.00 0.00 176.54 174.92 2hgc h GLU 70 N 0.27 0.67 -0.01 4.80 4.81 -0.61 -2.29 114.58 122.22 2hgc h GLU 70 Ca 0.09 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2hgc h GLU 70 Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2hgc h GLU 70 CO 0.00 0.54 -0.68 -0.91 -0.73 0.00 0.00 179.01 177.23 2hgc h ASN 71 N 0.63 0.09 0.19 1.04 2.35 -1.23 -3.06 115.58 115.59 2hgc h ASN 71 Ca 0.17 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2hgc h ASN 71 Cb 0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2hgc h ASN 71 CO -0.03 0.74 -0.29 0.22 -1.65 0.00 0.00 177.43 176.42 2hgc h TYR 72 N 0.05 0.18 -1.00 1.19 3.20 -0.81 -2.49 116.97 117.30 2hgc h TYR 72 Ca -0.01 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.89 2hgc h TYR 72 Cb 1.20 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 2hgc h TYR 72 CO 0.01 0.44 0.65 -0.07 -1.64 0.00 0.00 178.16 177.55 2hgc h LEU 73 N 0.15 1.05 -0.39 2.82 3.38 -1.31 0.19 115.31 121.20 2hgc h LEU 73 Ca 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2hgc h LEU 73 Cb 0.59 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2hgc h LEU 73 CO 0.04 0.68 -0.02 0.50 0.09 0.00 0.00 178.44 179.73 2hgc h LYS 74 N 1.19 0.70 -0.19 1.13 1.63 -1.56 0.14 116.57 119.61 2hgc h LYS 74 Ca 0.43 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 2hgc h LYS 74 Cb 0.13 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2hgc h LYS 74 CO -0.16 0.81 0.01 0.93 -3.45 0.00 0.00 179.45 177.58 2hgc h GLU 75 N 0.52 0.34 -0.18 1.90 5.08 -1.27 -2.73 114.58 118.24 2hgc h GLU 75 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hgc h GLU 75 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2hgc h GLU 75 CO 0.02 0.53 0.00 -1.71 -1.00 0.00 0.00 179.01 176.86 2hgc n ASN 76 N -4.71 1.53 -0.24 1.42 4.05 -0.00 -4.12 115.26 113.19 2hgc n ASN 76 Ca -0.04 -1.73 0.22 0.00 0.45 0.00 0.00 54.58 53.47 2hgc n ASN 76 Cb 0.22 -0.11 0.55 0.00 1.23 0.00 0.00 39.78 41.67 2hgc n ASN 76 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2hgc h GLY 77 N 5.09 0.75 -7.24 8.20 0.00 -0.39 -3.25 103.07 106.23 2hgc h GLY 77 Ca 0.00 -0.15 -0.63 0.00 0.00 0.00 0.00 47.33 46.55 2hgc h GLY 77 CO 0.00 -0.02 1.41 -1.08 0.00 0.00 0.00 176.54 176.85 2hgc s THR 78 N -5.35 4.11 -0.03 4.70 -1.32 -1.26 -4.94 115.64 111.56 2hgc s THR 78 Ca -0.08 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.36 2hgc s THR 78 Cb 0.23 -5.01 0.02 0.00 -1.51 0.00 0.00 72.50 66.22 2hgc s THR 78 CO 0.78 -1.85 0.06 0.86 -2.21 0.00 0.00 174.62 172.26 2hgc s TRP 79 N 4.42 -0.05 0.00 9.09 -0.00 -1.23 -5.12 118.94 126.04 2hgc s TRP 79 Ca 0.44 0.19 0.00 0.00 -0.00 0.00 0.00 56.10 56.73 2hgc s TRP 79 Cb -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 2hgc s TRP 79 CO -0.09 -0.06 0.00 -1.13 -0.00 0.00 0.00 176.95 175.67 2hgc n SER 80 N 3.48 -2.67 -1.32 5.86 3.41 -1.26 -4.98 113.62 116.14 2hgc n SER 80 Ca -0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.40 2hgc n SER 80 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 2hgc n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hgc n LYS 81 N -0.21 0.06 0.00 4.33 5.02 -1.26 -5.24 118.16 120.86 2hgc n LYS 81 Ca 0.00 -0.47 0.10 0.00 -2.02 0.00 0.00 58.31 55.91 2hgc n LYS 81 Cb 0.00 0.39 0.57 0.00 -0.02 0.00 0.00 35.03 35.97 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88