#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 0.64 0.13 -0.35 7.99 -1.26 -4.19 117.00 119.97 2hgc n LEU 6 Ca 0.00 0.08 -0.14 0.00 -0.01 0.00 0.00 56.01 55.95 2hgc n LEU 6 Cb 0.00 -0.14 -0.07 0.00 -0.11 0.00 0.00 43.42 43.09 2hgc n LEU 6 CO 0.00 0.01 0.81 0.03 -1.51 0.00 0.00 177.39 176.72 2hgc h ARG 7 N 0.00 -0.25 -0.64 3.23 2.47 -1.97 -0.36 114.38 116.86 2hgc h ARG 7 Ca 0.00 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.86 2hgc h ARG 7 Cb 0.72 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 29.01 2hgc h ARG 7 CO 0.00 -0.16 0.18 -0.92 0.56 0.00 0.00 179.97 179.62 2hgc h TYR 8 N -0.26 0.29 -0.12 3.04 3.20 -1.97 -2.88 116.97 118.26 2hgc h TYR 8 Ca -0.02 0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 2hgc h TYR 8 Cb 0.20 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.45 2hgc h TYR 8 CO -0.07 -0.00 -0.69 0.00 -1.64 0.00 0.00 178.16 175.75 2hgc h ALA 9 N 1.49 0.24 -0.14 1.82 0.00 -1.64 -3.18 119.26 117.86 2hgc h ALA 9 Ca 0.34 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2hgc h ALA 9 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2hgc h ALA 9 CO -0.40 0.56 0.10 0.82 0.00 0.00 0.00 179.25 180.33 2hgc h ILE 10 N 0.36 0.99 -0.97 0.00 2.04 -0.87 -1.60 117.51 117.45 2hgc h ILE 10 Ca -0.05 -0.04 0.17 0.00 1.00 0.00 0.00 64.86 65.94 2hgc h ILE 10 Cb 1.33 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 2hgc h ILE 10 CO 0.14 0.02 0.61 -0.07 0.00 0.00 0.00 178.15 178.85 2hgc h LEU 11 N 0.11 0.74 -0.16 1.44 3.38 -1.49 -1.28 115.31 118.05 2hgc h LEU 11 Ca 0.06 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 2hgc h LEU 11 Cb 0.10 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2hgc h LEU 11 CO -0.01 0.33 -0.84 0.50 0.09 0.00 0.00 178.44 178.51 2hgc h LYS 12 N 0.76 0.72 -0.14 1.13 3.64 -1.45 -1.83 116.57 119.39 2hgc h LYS 12 Ca 0.52 -0.63 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2hgc h LYS 12 Cb 0.80 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2hgc h LYS 12 CO -0.29 1.23 -0.17 0.93 -2.27 0.00 0.00 179.45 178.88 2hgc h GLU 13 N 0.47 0.24 -0.26 1.90 4.39 -1.30 0.56 114.58 120.58 2hgc h GLU 13 Ca -0.07 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 2hgc h GLU 13 Cb 1.47 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2hgc h GLU 13 CO 0.17 0.41 -0.24 0.82 -1.16 0.00 0.00 179.01 179.01 2hgc h ILE 14 N 0.22 1.31 0.03 3.13 2.04 -1.22 -0.88 117.51 122.14 2hgc h ILE 14 Ca 0.04 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 2hgc h ILE 14 Cb 0.45 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2hgc h ILE 14 CO 0.03 0.44 -0.01 0.15 0.00 0.00 0.00 178.15 178.75 2hgc h PHE 15 N 0.34 -0.03 0.00 1.37 3.57 -0.35 -1.48 116.94 120.35 2hgc h PHE 15 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2hgc h PHE 15 Cb 0.79 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2hgc h PHE 15 CO 0.07 0.18 0.00 0.93 -2.23 0.00 0.00 178.31 177.26 2hgc h GLU 16 N -0.24 0.00 0.00 1.11 5.08 -0.02 -2.62 114.58 117.88 2hgc h GLU 16 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hgc h GLU 16 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2hgc h GLU 16 CO 0.01 0.00 -0.21 0.78 -1.00 0.00 0.00 179.01 178.59 2hgc h GLY 17 N 3.62 0.00 -0.53 -3.84 0.00 -0.99 -3.47 103.07 97.85 2hgc h GLY 17 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2hgc h GLY 17 CO 0.00 0.00 -0.21 -2.01 0.00 0.00 0.00 176.54 174.32 2hgc n ASN 18 N -2.56 -5.30 -1.47 0.19 4.05 -0.57 -4.61 115.26 104.98 2hgc n ASN 18 Ca 0.04 0.28 0.02 0.00 0.45 0.00 0.00 54.58 55.37 2hgc n ASN 18 Cb 0.48 -3.79 -0.01 0.00 1.23 0.00 0.00 39.78 37.68 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 -2.36 -2.17 -1.84 -0.44 -2.24 -1.17 -4.84 114.28 99.23 2hgc n THR 19 Ca -0.11 1.15 -0.30 0.00 -2.27 0.00 0.00 64.05 62.52 2hgc n THR 19 Cb 0.53 -1.89 0.19 0.00 -2.10 0.00 0.00 70.33 67.05 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 -5.08 0.48 -0.17 -0.78 0.04 -1.26 -4.57 135.00 123.66 2hgc s PRO 20 Ca 0.00 -0.35 -0.06 0.00 0.04 0.00 0.00 61.00 60.63 2hgc s PRO 20 Cb 0.00 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.80 2hgc s PRO 20 CO 0.00 -2.53 0.35 -1.17 0.04 0.00 0.00 177.00 173.69 2hgc s LEU 21 N -6.00 -0.49 0.59 -3.56 2.96 -1.26 -4.96 118.68 105.96 2hgc s LEU 21 Ca 0.73 0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 55.35 2hgc s LEU 21 Cb -0.05 1.05 0.01 0.00 0.50 0.00 0.00 46.19 47.70 2hgc s LEU 21 CO 0.53 -0.24 0.91 -0.44 -1.32 0.00 0.00 176.35 175.79 2hgc s SER 22 N 2.53 5.62 0.28 3.68 0.01 -1.26 -4.71 113.70 119.85 2hgc s SER 22 Ca 0.00 0.76 0.04 0.00 1.31 0.00 0.00 55.95 58.06 2hgc s SER 22 Cb -0.12 -1.75 0.43 0.00 0.21 0.00 0.00 66.02 64.78 2hgc s SER 22 CO -0.11 -1.06 1.71 1.05 0.41 0.00 0.00 173.24 175.24 2hgc h GLU 23 N -0.19 0.38 -0.47 12.44 -0.00 -1.90 -2.63 114.58 122.21 2hgc h GLU 23 Ca -0.45 -0.16 -0.06 0.00 -0.00 0.00 0.00 59.36 58.68 2hgc h GLU 23 Cb 1.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.97 2hgc h GLU 23 CO 0.61 0.67 0.04 -0.97 -0.00 0.00 0.00 179.01 179.35 2hgc h ASN 24 N 0.33 0.71 0.16 3.06 -0.73 -1.93 0.25 115.58 117.43 2hgc h ASN 24 Ca 0.04 -0.15 -0.15 0.00 1.87 0.00 0.00 56.30 57.92 2hgc h ASN 24 Cb 0.74 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 2hgc h ASN 24 CO 0.06 0.75 -0.54 0.44 -0.37 0.00 0.00 177.43 177.78 2hgc h ASP 25 N 0.71 0.45 0.50 1.15 5.19 -1.82 -3.14 116.42 119.46 2hgc h ASP 25 Ca 0.15 -0.24 -0.30 0.00 -0.62 0.00 0.00 57.03 56.02 2hgc h ASP 25 Cb 0.38 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2hgc h ASP 25 CO 0.01 0.90 -1.48 -0.29 -3.12 0.00 0.00 179.24 175.26 2hgc h ILE 26 N 0.32 1.20 0.00 0.35 -0.00 -1.30 -3.49 117.51 114.59 2hgc h ILE 26 Ca 0.01 -2.85 0.00 0.00 -0.00 0.00 0.00 64.86 62.01 2hgc h ILE 26 Cb 1.04 2.76 0.00 0.00 -0.00 0.00 0.00 36.82 40.63 2hgc h ILE 26 CO 0.09 0.82 0.00 0.61 -0.00 0.00 0.00 178.15 179.67 2hgc n GLY 27 N 1.63 1.71 3.33 8.18 0.00 0.61 -5.11 105.19 115.53 2hgc n GLY 27 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 0.39 0.64 1.61 -7.23 0.31 -5.01 120.40 109.11 2hgc s VAL 28 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2hgc s VAL 28 Cb 0.00 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2hgc s VAL 28 CO 0.00 0.00 0.96 0.42 -0.31 0.00 0.00 175.10 176.17 2hgc s THR 29 N -3.66 3.12 0.31 5.32 -4.23 -1.26 -3.70 115.64 111.54 2hgc s THR 29 Ca 0.36 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2hgc s THR 29 Cb 0.06 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.70 2hgc s THR 29 CO 0.16 -0.30 1.77 -0.33 -0.54 0.00 0.00 174.62 175.38 2hgc h GLU 30 N -0.36 0.34 -0.15 3.99 5.08 -1.97 0.43 114.58 121.93 2hgc h GLU 30 Ca -0.45 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2hgc h GLU 30 Cb 1.28 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 2hgc h GLU 30 CO 0.61 0.59 -0.43 0.22 -1.00 0.00 0.00 179.01 179.00 2hgc h ASP 31 N 0.30 -1.34 0.30 1.42 3.58 -1.99 0.14 116.42 118.83 2hgc h ASP 31 Ca 0.05 0.18 -0.16 0.00 0.42 0.00 0.00 57.03 57.51 2hgc h ASP 31 Cb 0.64 0.55 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2hgc h ASP 31 CO 0.05 -0.42 -0.64 -0.61 -2.88 0.00 0.00 179.24 174.73 2hgc h GLN 32 N -0.48 0.32 0.05 0.28 5.75 -1.86 -2.66 115.11 116.51 2hgc h GLN 32 Ca 0.08 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 2hgc h GLN 32 Cb 0.62 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.21 2hgc h GLN 32 CO -0.41 0.85 -0.02 0.35 -2.65 0.00 0.00 178.83 176.95 2hgc h PHE 33 N 0.23 -0.06 -0.37 3.99 3.57 0.23 0.24 116.94 124.78 2hgc h PHE 33 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hgc h PHE 33 Cb 1.17 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 2hgc h PHE 33 CO 0.03 0.25 0.16 0.22 -2.23 0.00 0.00 178.31 176.75 2hgc h ASP 34 N -0.38 0.49 -0.84 0.41 3.58 -0.80 0.22 116.42 119.10 2hgc h ASP 34 Ca -0.01 -0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.36 2hgc h ASP 34 Cb 0.34 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 2hgc h ASP 34 CO 0.01 0.50 0.52 -0.78 -2.88 0.00 0.00 179.24 176.61 2hgc h ASP 35 N 0.45 0.82 0.38 2.28 3.58 -1.41 0.35 116.42 122.87 2hgc h ASP 35 Ca 0.12 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2hgc h ASP 35 Cb 0.15 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2hgc h ASP 35 CO -0.01 0.53 -0.18 0.00 -2.88 0.00 0.00 179.24 176.69 2hgc h ALA 36 N 1.40 -0.51 -0.43 -0.78 0.00 -0.05 -2.33 119.26 116.56 2hgc h ALA 36 Ca 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2hgc h ALA 36 Cb 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2hgc h ALA 36 CO -0.17 -0.60 0.15 0.28 0.00 0.00 0.00 179.25 178.90 2hgc h VAL 37 N -0.88 1.17 -0.32 0.00 2.07 -0.37 0.51 116.25 118.44 2hgc h VAL 37 Ca -0.05 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2hgc h VAL 37 Cb 0.54 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2hgc h VAL 37 CO 0.09 0.22 0.08 0.78 0.02 0.00 0.00 177.57 178.75 2hgc h ASN 38 N 0.61 0.48 -0.77 0.57 2.35 -0.37 0.32 115.58 118.77 2hgc h ASN 38 Ca 0.15 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2hgc h ASN 38 Cb 0.16 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2hgc h ASN 38 CO -0.01 0.59 0.42 0.15 -1.65 0.00 0.00 177.43 176.93 2hgc h PHE 39 N 0.35 1.07 -0.70 1.19 3.57 -0.81 0.27 116.94 121.89 2hgc h PHE 39 Ca 0.10 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2hgc h PHE 39 Cb 0.29 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2hgc h PHE 39 CO 0.01 0.75 0.16 -0.07 -2.23 0.00 0.00 178.31 176.94 2hgc h LEU 40 N 1.07 1.07 -0.58 0.59 3.38 -0.60 -1.25 115.31 118.99 2hgc h LEU 40 Ca 0.27 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2hgc h LEU 40 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2hgc h LEU 40 CO -0.04 1.03 -0.57 0.50 0.09 0.00 0.00 178.44 179.45 2hgc h LYS 41 N 1.07 0.42 0.29 1.13 3.11 0.08 0.40 116.57 123.08 2hgc h LYS 41 Ca 0.22 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2hgc h LYS 41 Cb 0.39 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2hgc h LYS 41 CO 0.00 0.88 -0.14 -0.09 -2.81 0.00 0.00 179.45 177.29 2hgc h ARG 42 N 0.32 -0.38 0.00 1.90 2.43 -0.14 -3.05 114.38 115.47 2hgc h ARG 42 Ca 0.00 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2hgc h ARG 42 Cb 1.09 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2hgc h ARG 42 CO 0.10 -0.22 -0.59 0.93 -1.51 0.00 0.00 179.97 178.67 2hgc h GLU 43 N -0.44 0.00 0.00 0.20 4.39 -1.23 -3.48 114.58 114.03 2hgc h GLU 43 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2hgc h GLU 43 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2hgc h GLU 43 CO 0.07 0.59 0.00 0.41 -1.16 0.00 0.00 179.01 178.92 2hgc n GLY 44 N 0.49 0.96 0.10 -3.84 0.00 0.15 -5.03 105.19 98.02 2hgc n GLY 44 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2hgc n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2hgc h TYR 45 N 0.00 0.14 -3.95 1.61 0.05 -0.60 -3.43 116.97 110.80 2hgc h TYR 45 Ca 0.00 -0.10 -0.25 0.00 0.05 0.00 0.00 58.73 58.43 2hgc h TYR 45 Cb 0.00 -0.01 -0.22 0.00 1.01 0.00 0.00 36.73 37.51 2hgc h TYR 45 CO 0.00 1.22 -0.73 0.96 -1.05 0.00 0.00 178.16 178.56 2hgc s ILE 46 N -2.59 0.37 0.27 -2.88 -5.25 -1.24 -1.67 121.20 108.21 2hgc s ILE 46 Ca -0.09 -0.88 0.02 0.00 -0.99 0.00 0.00 60.65 58.71 2hgc s ILE 46 Cb 0.08 -0.44 -0.05 0.00 2.95 0.00 0.00 42.46 44.99 2hgc s ILE 46 CO 0.81 -0.34 0.10 0.27 -1.79 0.00 0.00 174.94 173.99 2hgc s ILE 47 N -1.20 0.60 0.00 8.37 -4.36 -0.03 -4.50 121.20 120.08 2hgc s ILE 47 Ca -0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 2hgc s ILE 47 Cb -0.09 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.99 2hgc s ILE 47 CO -0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2hgc n GLY 48 N -0.51 0.81 3.71 6.27 0.00 -1.26 -0.06 105.19 114.14 2hgc n GLY 48 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.17 3.52 -0.28 1.61 1.01 -1.26 -2.92 120.40 118.90 2hgc s VAL 49 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 2hgc s VAL 49 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2hgc s VAL 49 CO 0.00 0.06 0.42 -1.00 0.00 0.00 0.00 175.10 174.58 2hgc s HIS 50 N 1.46 3.24 -0.01 5.22 3.76 -1.25 -5.03 115.29 122.68 2hgc s HIS 50 Ca 0.64 0.41 0.02 0.00 -0.15 0.00 0.00 55.06 55.98 2hgc s HIS 50 Cb -0.34 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2hgc s HIS 50 CO 0.29 -0.29 -0.04 0.71 -0.85 0.00 0.00 174.74 174.56 2hgc s TYR 51 N 2.16 2.96 0.00 1.40 2.02 -1.26 -2.94 117.35 121.70 2hgc s TYR 51 Ca 0.17 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 2hgc s TYR 51 Cb -0.16 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 2hgc s TYR 51 CO 0.10 0.40 0.00 0.45 -1.57 0.00 0.00 175.55 174.93 2hgc n SER 52 N 1.57 0.00 -4.61 2.29 2.88 -1.26 -4.95 113.62 109.53 2hgc n SER 52 Ca -0.15 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.96 2hgc n SER 52 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2hgc n SER 52 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hgc s ASP 53 N 1.25 5.90 0.00 -3.46 2.15 -1.26 -4.82 116.67 116.43 2hgc s ASP 53 Ca 0.00 1.68 -0.10 0.00 0.43 0.00 0.00 52.55 54.57 2hgc s ASP 53 Cb 0.00 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 39.98 2hgc s ASP 53 CO 0.00 -1.64 0.91 0.47 -0.17 0.00 0.00 175.17 174.74 2hgc n ASP 54 N 10.10 0.13 -3.56 -0.34 8.00 -1.26 -4.54 116.55 125.08 2hgc n ASP 54 Ca 0.24 -1.61 -0.12 0.00 0.71 0.00 0.00 54.79 54.01 2hgc n ASP 54 Cb 0.45 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 2hgc n ASP 54 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2hgc s ARG 55 N 4.52 0.25 0.03 -1.24 0.52 -1.26 -5.03 118.95 116.73 2hgc s ARG 55 Ca 0.21 0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 55.82 2hgc s ARG 55 Cb 0.05 -0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.22 2hgc s ARG 55 CO 0.11 -0.41 1.99 -2.14 0.02 0.00 0.00 175.30 174.86 2hgc s PRO 56 N 2.49 4.09 -0.33 3.54 0.02 -1.26 -4.73 135.00 138.82 2hgc s PRO 56 Ca 0.04 2.60 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 2hgc s PRO 56 Cb -0.13 -4.18 0.02 0.00 0.02 0.00 0.00 34.50 30.23 2hgc s PRO 56 CO -0.12 -1.01 0.14 -1.01 -0.33 0.00 0.00 177.00 174.67 2hgc s HIS 57 N 4.65 3.20 0.21 6.54 3.76 -1.15 -5.01 115.29 127.49 2hgc s HIS 57 Ca 0.89 -0.98 -0.16 0.00 -0.15 0.00 0.00 55.06 54.66 2hgc s HIS 57 Cb -0.42 -2.33 -0.08 0.00 1.11 0.00 0.00 32.58 30.85 2hgc s HIS 57 CO 0.41 -0.60 0.64 -0.51 -0.85 0.00 0.00 174.74 173.84 2hgc s LEU 58 N 1.52 4.29 0.33 0.89 1.43 -1.26 -3.81 118.68 122.07 2hgc s LEU 58 Ca 0.02 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2hgc s LEU 58 Cb -0.18 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2hgc s LEU 58 CO 0.05 0.02 0.09 -0.31 0.23 0.00 0.00 176.35 176.42 2hgc s TYR 59 N -1.58 1.82 -0.45 0.29 2.02 -1.26 -4.64 117.35 113.55 2hgc s TYR 59 Ca 0.43 -1.09 0.25 0.00 -0.37 0.00 0.00 57.07 56.29 2hgc s TYR 59 Cb -0.15 -1.16 0.63 0.00 -0.40 0.00 0.00 41.96 40.88 2hgc s TYR 59 CO 0.20 -0.15 1.71 0.87 -1.57 0.00 0.00 175.55 176.61 2hgc h LYS 60 N 2.10 0.00 -4.91 -0.62 1.57 -1.88 -3.38 116.57 109.44 2hgc h LYS 60 Ca -0.39 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.77 2hgc h LYS 60 Cb 1.25 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.22 2hgc h LYS 60 CO 0.64 0.00 -0.85 -0.51 -0.57 0.00 0.00 179.45 178.16 2hgc s LEU 61 N -5.67 1.88 0.00 2.94 1.02 -1.26 -4.83 118.68 112.76 2hgc s LEU 61 Ca 0.07 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2hgc s LEU 61 Cb 0.08 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 45.03 2hgc s LEU 61 CO 0.62 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.63 2hgc n GLY 62 N 4.26 2.53 3.67 -3.19 0.00 -1.26 -5.07 105.19 106.14 2hgc n GLY 62 Ca -0.19 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2hgc n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hgc s PRO 63 N 0.00 4.14 0.04 1.61 0.02 -1.15 -4.14 135.00 135.52 2hgc s PRO 63 Ca 0.00 2.58 0.06 0.00 0.02 0.00 0.00 61.00 63.66 2hgc s PRO 63 Cb 0.00 -3.97 -0.02 0.00 0.02 0.00 0.00 34.50 30.53 2hgc s PRO 63 CO 0.00 -0.91 -0.16 -1.21 -0.33 0.00 0.00 177.00 174.39 2hgc s GLU 64 N 3.87 1.09 -0.14 5.54 2.02 0.91 -4.96 118.70 127.03 2hgc s GLU 64 Ca 0.85 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.87 2hgc s GLU 64 Cb -0.43 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 2hgc s GLU 64 CO 0.39 0.29 0.40 -1.17 0.02 0.00 0.00 175.26 175.19 2hgc s LEU 65 N -1.11 4.26 0.74 1.80 0.20 -1.26 -0.85 118.68 122.45 2hgc s LEU 65 Ca 0.04 0.68 -0.12 0.00 0.69 0.00 0.00 54.13 55.42 2hgc s LEU 65 Cb -0.08 -2.55 0.03 0.00 -0.43 0.00 0.00 46.19 43.16 2hgc s LEU 65 CO 0.01 0.04 1.12 0.42 -0.29 0.00 0.00 176.35 177.65 2hgc s THR 66 N 0.59 3.05 0.32 3.68 -4.23 -0.67 -4.76 115.64 113.62 2hgc s THR 66 Ca 0.22 0.34 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 2hgc s THR 66 Cb -0.14 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.66 2hgc s THR 66 CO 0.07 -0.44 1.88 -0.08 -0.54 0.00 0.00 174.62 175.51 2hgc h GLU 67 N -0.77 0.86 -0.05 3.99 4.81 -1.91 0.29 114.58 121.80 2hgc h GLU 67 Ca -0.45 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 2hgc h GLU 67 Cb 1.28 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 2hgc h GLU 67 CO 0.64 0.57 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.94 2hgc h LYS 68 N 0.88 -0.44 0.02 1.92 3.64 -1.90 -1.52 116.57 119.17 2hgc h LYS 68 Ca 0.43 0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.60 2hgc h LYS 68 Cb 0.45 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2hgc h LYS 68 CO -0.19 -0.29 -0.99 0.78 -2.27 0.00 0.00 179.45 176.49 2hgc h GLY 69 N -0.45 0.47 1.03 5.01 0.00 -1.54 -2.56 103.07 105.02 2hgc h GLY 69 Ca 0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 2hgc h GLY 69 CO -0.30 0.75 0.27 -2.09 0.00 0.00 0.00 176.54 175.17 2hgc h GLU 70 N 0.22 1.09 0.00 4.80 4.81 -0.33 -1.35 114.58 123.82 2hgc h GLU 70 Ca -0.09 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 2hgc h GLU 70 Cb 1.64 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 2hgc h GLU 70 CO 0.17 0.90 -0.69 -0.91 -0.73 0.00 0.00 179.01 177.76 2hgc h ASN 71 N 1.04 0.00 0.33 1.04 2.35 -1.35 -3.02 115.58 115.97 2hgc h ASN 71 Ca 0.24 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 2hgc h ASN 71 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2hgc h ASN 71 CO -0.02 0.69 -0.18 0.22 -1.65 0.00 0.00 177.43 176.50 2hgc h TYR 72 N 0.00 0.00 0.00 1.19 3.20 -0.90 -2.36 116.97 118.10 2hgc h TYR 72 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2hgc h TYR 72 Cb 1.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2hgc h TYR 72 CO 0.00 0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.63 2hgc h LEU 73 N 0.00 0.00 -0.78 2.82 3.38 -1.14 -3.32 115.31 116.28 2hgc h LEU 73 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2hgc h LEU 73 Cb 0.39 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 2hgc h LEU 73 CO 0.02 0.00 0.01 0.50 0.09 0.00 0.00 178.44 179.06 2hgc h LYS 74 N 0.00 0.10 0.00 1.13 3.64 -1.56 0.37 116.57 120.24 2hgc h LYS 74 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2hgc h LYS 74 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2hgc h LYS 74 CO 0.00 0.06 -0.31 0.93 -2.27 0.00 0.00 179.45 177.86 2hgc h GLU 75 N 0.10 0.00 0.00 1.90 3.07 -1.82 -3.28 114.58 114.55 2hgc h GLU 75 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 2hgc h GLU 75 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2hgc h GLU 75 CO -0.69 0.00 0.00 -1.71 -1.40 0.00 0.00 179.01 175.21 2hgc n ASN 76 N -2.91 0.00 0.31 1.42 5.15 0.12 -3.34 115.26 116.00 2hgc n ASN 76 Ca 0.03 0.39 0.21 0.00 -0.60 0.00 0.00 54.58 54.61 2hgc n ASN 76 Cb 0.53 -0.46 1.07 0.00 -0.53 0.00 0.00 39.78 40.39 2hgc n ASN 76 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2hgc h GLY 77 N 4.71 0.00 -0.38 8.20 0.00 -1.35 -1.26 103.07 112.98 2hgc h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hgc h GLY 77 CO 0.00 0.00 -0.64 -0.37 0.00 0.00 0.00 176.54 175.53 2hgc n THR 78 N -2.97 0.00 -4.08 4.70 5.66 -1.21 -4.72 114.28 111.66 2hgc n THR 78 Ca -0.02 -0.18 -0.32 0.00 -3.05 0.00 0.00 64.05 60.48 2hgc n THR 78 Cb 0.10 1.10 -0.07 0.00 -1.55 0.00 0.00 70.33 69.91 2hgc n THR 78 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 2hgc s TRP 79 N -2.43 3.25 -1.10 1.09 -0.00 -0.48 -4.34 118.94 114.93 2hgc s TRP 79 Ca 0.11 0.15 -0.03 0.00 -0.00 0.00 0.00 56.10 56.33 2hgc s TRP 79 Cb 0.14 -1.69 0.02 0.00 -0.00 0.00 0.00 33.47 31.94 2hgc s TRP 79 CO 0.61 0.54 0.16 -1.13 -0.00 0.00 0.00 176.95 177.13 2hgc n SER 80 N 0.87 -3.85 -3.91 5.86 3.41 -1.26 -4.91 113.62 109.83 2hgc n SER 80 Ca -0.11 0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 2hgc n SER 80 Cb 0.52 -3.24 -0.05 0.00 -0.26 0.00 0.00 64.21 61.18 2hgc n SER 80 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hgc s LYS 81 N -5.33 1.45 0.00 4.33 2.20 -1.26 -4.99 119.74 116.15 2hgc s LYS 81 Ca 0.12 -1.11 0.27 0.00 -0.36 0.00 0.00 55.97 54.90 2hgc s LYS 81 Cb -0.06 0.48 1.63 0.00 -1.51 0.00 0.00 37.83 38.37 2hgc s LYS 81 CO 0.15 -0.60 1.98 0.00 -0.36 0.00 0.00 175.35 176.51