#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgc h LEU 6 N 0.00 0.00 -1.29 -0.35 -0.00 -2.02 -1.69 115.31 109.97 2hgc h LEU 6 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 2hgc h LEU 6 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 2hgc h LEU 6 CO 0.00 0.00 0.52 -0.09 -0.00 0.00 0.00 178.44 178.87 2hgc h ARG 7 N 0.00 0.84 -0.22 1.13 9.65 -2.00 -2.41 114.38 121.37 2hgc h ARG 7 Ca 0.00 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.74 2hgc h ARG 7 Cb 0.31 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2hgc h ARG 7 CO 0.00 0.55 -0.21 -0.92 2.80 0.00 0.00 179.97 182.19 2hgc h TYR 8 N 0.86 0.63 -0.81 2.20 3.20 -1.69 -2.81 116.97 118.55 2hgc h TYR 8 Ca 0.34 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2hgc h TYR 8 Cb 0.23 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2hgc h TYR 8 CO -0.00 0.87 0.53 0.00 -1.64 0.00 0.00 178.16 177.92 2hgc h ALA 9 N 0.66 1.51 0.12 1.82 0.00 -1.51 0.32 119.26 122.18 2hgc h ALA 9 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hgc h ALA 9 Cb 0.76 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hgc h ALA 9 CO 0.05 0.40 -0.06 0.82 0.00 0.00 0.00 179.25 180.47 2hgc h ILE 10 N 1.00 1.01 -0.58 0.00 1.08 -1.45 -2.86 117.51 115.70 2hgc h ILE 10 Ca 0.33 -0.55 -0.09 0.00 -0.39 0.00 0.00 64.86 64.15 2hgc h ILE 10 Cb 0.05 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 2hgc h ILE 10 CO -0.10 0.13 0.00 -0.07 -0.69 0.00 0.00 178.15 177.43 2hgc h LEU 11 N -0.42 1.00 -1.27 1.44 3.38 -1.11 -2.45 115.31 115.89 2hgc h LEU 11 Ca -0.02 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2hgc h LEU 11 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2hgc h LEU 11 CO 0.03 1.06 -0.35 0.07 0.09 0.00 0.00 178.44 179.34 2hgc h LYS 12 N 0.91 0.00 0.00 1.13 5.09 -0.44 -1.14 116.57 122.12 2hgc h LYS 12 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.76 2hgc h LYS 12 Cb 0.55 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.86 2hgc h LYS 12 CO 0.03 0.35 -0.72 1.49 -2.09 0.00 0.00 179.45 178.50 2hgc h GLU 13 N 0.00 0.00 0.00 0.07 4.57 -1.29 -0.49 114.58 117.44 2hgc h GLU 13 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2hgc h GLU 13 Cb 0.68 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2hgc h GLU 13 CO 0.04 0.61 -0.40 0.82 -1.18 0.00 0.00 179.01 178.90 2hgc h ILE 14 N 0.00 0.99 0.00 2.32 2.04 -0.96 0.47 117.51 122.37 2hgc h ILE 14 Ca -0.02 -1.55 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 2hgc h ILE 14 Cb 1.51 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2hgc h ILE 14 CO 0.08 0.39 -0.98 0.15 0.00 0.00 0.00 178.15 177.79 2hgc h PHE 15 N 0.00 0.00 0.00 1.37 3.57 -0.85 -2.34 116.94 118.69 2hgc h PHE 15 Ca -0.00 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.11 2hgc h PHE 15 Cb 0.88 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 2hgc h PHE 15 CO 0.00 0.66 -2.45 0.39 -2.23 0.00 0.00 178.31 174.67 2hgc n GLU 16 N -3.13 0.63 -0.02 1.11 -0.58 -0.22 -4.53 120.64 113.90 2hgc n GLU 16 Ca -0.04 0.15 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 2hgc n GLU 16 Cb 0.83 -1.51 0.11 0.00 -0.57 0.00 0.00 31.44 30.30 2hgc n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgc n GLY 17 N 2.23 0.97 5.53 0.62 0.00 0.16 -5.01 105.19 109.69 2hgc n GLY 17 Ca -0.46 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2hgc n GLY 17 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hgc n ASN 18 N 1.31 0.00 0.00 1.61 4.05 -0.88 -4.74 115.26 116.60 2hgc n ASN 18 Ca 0.14 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.17 2hgc n ASN 18 Cb 0.58 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.59 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 0.00 0.00 -2.48 -0.44 -2.24 -1.26 -4.33 114.28 103.54 2hgc n THR 19 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2hgc n THR 19 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.00 1.81 -0.05 -0.78 0.04 -1.26 -3.61 135.00 129.16 2hgc s PRO 20 Ca 0.00 -0.86 -0.03 0.00 0.04 0.00 0.00 61.00 60.14 2hgc s PRO 20 Cb 0.00 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2hgc s PRO 20 CO 0.00 -1.37 0.12 -0.48 0.04 0.00 0.00 177.00 175.30 2hgc s LEU 21 N -5.16 1.34 0.71 -3.56 2.34 -1.26 -5.02 118.68 108.08 2hgc s LEU 21 Ca 0.64 0.24 -0.07 0.00 0.06 0.00 0.00 54.13 55.00 2hgc s LEU 21 Cb -0.07 0.36 0.06 0.00 -0.56 0.00 0.00 46.19 45.99 2hgc s LEU 21 CO 0.44 -0.07 1.02 -0.44 -1.06 0.00 0.00 176.35 176.25 2hgc s SER 22 N 0.37 4.77 0.33 1.48 0.01 -1.26 -4.96 113.70 114.44 2hgc s SER 22 Ca -0.03 0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.69 2hgc s SER 22 Cb -0.04 -1.08 0.57 0.00 0.21 0.00 0.00 66.02 65.69 2hgc s SER 22 CO -0.01 -1.63 1.98 1.05 0.41 0.00 0.00 173.24 175.03 2hgc h GLU 23 N -0.63 0.92 -0.06 12.44 9.09 -1.91 -1.77 114.58 132.66 2hgc h GLU 23 Ca -0.44 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 58.85 2hgc h GLU 23 Cb 1.31 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 28.20 2hgc h GLU 23 CO 0.60 0.61 -0.22 -0.97 0.05 0.00 0.00 179.01 179.07 2hgc h ASN 24 N 0.95 0.10 -0.02 3.06 -0.00 -1.94 -0.01 115.58 117.73 2hgc h ASN 24 Ca 0.28 -0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.56 2hgc h ASN 24 Cb -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 38.26 2hgc h ASN 24 CO -0.07 0.33 0.00 0.44 -0.00 0.00 0.00 177.43 178.14 2hgc h ASP 25 N 0.10 0.03 0.49 1.15 5.19 -1.67 -3.22 116.42 118.49 2hgc h ASP 25 Ca 0.02 -0.22 -0.27 0.00 -0.62 0.00 0.00 57.03 55.94 2hgc h ASP 25 Cb 0.46 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.97 2hgc h ASP 25 CO 0.03 0.24 -1.17 -0.29 -3.12 0.00 0.00 179.24 174.93 2hgc h ILE 26 N -0.19 1.44 0.00 0.35 -0.00 -1.47 -3.48 117.51 114.16 2hgc h ILE 26 Ca 0.01 -2.82 0.00 0.00 -0.00 0.00 0.00 64.86 62.05 2hgc h ILE 26 Cb 0.22 2.78 0.00 0.00 -0.00 0.00 0.00 36.82 39.82 2hgc h ILE 26 CO -0.00 0.83 0.00 0.61 -0.00 0.00 0.00 178.15 179.59 2hgc n GLY 27 N 1.36 1.91 3.39 8.18 0.00 -0.15 -5.08 105.19 114.80 2hgc n GLY 27 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 0.97 0.70 1.61 -7.23 -0.44 -5.02 120.40 108.99 2hgc s VAL 28 Ca 0.00 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.09 2hgc s VAL 28 Cb 0.00 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.33 2hgc s VAL 28 CO 0.00 -0.06 1.01 0.42 -0.31 0.00 0.00 175.10 176.16 2hgc s THR 29 N -3.46 2.44 0.18 5.32 -4.23 -1.26 -3.86 115.64 110.76 2hgc s THR 29 Ca 0.36 -0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.46 2hgc s THR 29 Cb 0.08 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.97 2hgc s THR 29 CO 0.14 -0.06 1.62 -0.33 -0.54 0.00 0.00 174.62 175.44 2hgc h GLU 30 N -0.57 -0.15 -0.77 3.99 5.08 -1.98 0.17 114.58 120.34 2hgc h GLU 30 Ca -0.45 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2hgc h GLU 30 Cb 1.31 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 2hgc h GLU 30 CO 0.61 -0.10 0.51 -0.44 -1.00 0.00 0.00 179.01 178.58 2hgc h ASP 31 N -0.15 0.85 0.74 1.42 3.32 -1.98 0.33 116.42 120.94 2hgc h ASP 31 Ca 0.21 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 57.01 2hgc h ASP 31 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2hgc h ASP 31 CO -0.55 0.60 -1.07 1.56 -1.72 0.00 0.00 179.24 178.06 2hgc h GLN 32 N 0.99 0.17 -0.15 3.56 1.08 -1.66 -1.21 115.11 117.89 2hgc h GLN 32 Ca 0.29 -0.26 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 2hgc h GLN 32 Cb -0.04 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2hgc h GLN 32 CO -0.07 1.09 -0.64 0.35 -0.95 0.00 0.00 178.83 178.60 2hgc h PHE 33 N 0.06 0.71 -0.34 2.96 3.57 -0.39 -1.59 116.94 121.91 2hgc h PHE 33 Ca -0.07 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 2hgc h PHE 33 Cb 1.79 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 2hgc h PHE 33 CO 0.04 1.03 0.21 0.22 -2.23 0.00 0.00 178.31 177.57 2hgc h ASP 34 N 0.40 0.41 -0.42 0.41 3.58 -0.29 -0.55 116.42 119.96 2hgc h ASP 34 Ca -0.01 -0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.47 2hgc h ASP 34 Cb 1.20 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 42.07 2hgc h ASP 34 CO 0.12 0.34 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.97 2hgc h ASP 35 N 0.44 -0.33 0.84 2.28 1.82 -1.07 -0.55 116.42 119.86 2hgc h ASP 35 Ca 0.12 0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 2hgc h ASP 35 Cb 0.01 0.23 0.01 0.00 0.68 0.00 0.00 39.33 40.26 2hgc h ASP 35 CO -0.02 -0.11 -0.42 0.00 -1.61 0.00 0.00 179.24 177.07 2hgc h ALA 36 N 1.40 -1.15 -0.28 -0.78 0.00 -0.84 -1.24 119.26 116.36 2hgc h ALA 36 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hgc h ALA 36 Cb 0.31 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2hgc h ALA 36 CO -0.40 -1.15 0.18 0.28 0.00 0.00 0.00 179.25 178.15 2hgc h VAL 37 N -1.15 1.09 -0.67 0.00 2.07 -0.99 0.11 116.25 116.71 2hgc h VAL 37 Ca -0.11 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2hgc h VAL 37 Cb 0.89 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2hgc h VAL 37 CO 0.18 0.09 0.15 0.78 0.02 0.00 0.00 177.57 178.79 2hgc h ASN 38 N 0.37 1.02 -0.49 0.57 2.35 -1.12 0.94 115.58 119.21 2hgc h ASN 38 Ca 0.10 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 2hgc h ASN 38 Cb -0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2hgc h ASN 38 CO -0.02 0.98 -0.10 0.15 -1.65 0.00 0.00 177.43 176.80 2hgc h PHE 39 N 1.02 1.05 -0.38 1.19 3.57 -0.94 -0.27 116.94 122.18 2hgc h PHE 39 Ca 0.21 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2hgc h PHE 39 Cb 0.37 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2hgc h PHE 39 CO 0.03 1.00 0.10 -0.07 -2.23 0.00 0.00 178.31 177.14 2hgc h LEU 40 N 0.79 0.57 -0.51 0.59 3.38 -0.52 -2.60 115.31 117.02 2hgc h LEU 40 Ca 0.13 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2hgc h LEU 40 Cb 0.65 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2hgc h LEU 40 CO 0.04 0.65 -0.48 0.50 0.09 0.00 0.00 178.44 179.24 2hgc h LYS 41 N 0.47 0.67 0.52 1.13 3.11 -0.78 0.53 116.57 122.22 2hgc h LYS 41 Ca 0.12 -0.39 -0.02 0.00 -2.81 0.00 0.00 60.65 57.55 2hgc h LYS 41 Cb 0.29 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2hgc h LYS 41 CO -0.00 1.00 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.25 2hgc h ARG 42 N 0.53 -0.74 -0.00 1.90 2.43 -0.91 -2.78 114.38 114.80 2hgc h ARG 42 Ca 0.03 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2hgc h ARG 42 Cb 1.03 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2hgc h ARG 42 CO 0.10 -0.50 -0.04 0.39 -1.51 0.00 0.00 179.97 178.41 2hgc n GLU 43 N -5.44 0.80 -2.34 0.20 -0.58 -0.99 -4.91 120.64 107.39 2hgc n GLU 43 Ca -0.12 -0.18 -0.01 0.00 -0.42 0.00 0.00 57.16 56.43 2hgc n GLU 43 Cb 0.34 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.71 2hgc n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgc n GLY 44 N 1.19 0.64 0.10 0.62 0.00 -0.83 -4.97 105.19 101.95 2hgc n GLY 44 Ca 0.17 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.15 0.42 -4.16 1.61 -1.99 -0.21 -3.42 116.97 109.07 2hgc h TYR 45 Ca -0.04 -0.29 -0.13 0.00 2.00 0.00 0.00 58.73 60.27 2hgc h TYR 45 Cb 1.02 -0.02 -0.17 0.00 2.00 0.00 0.00 36.73 39.56 2hgc h TYR 45 CO 0.03 1.20 -0.68 0.96 -0.00 0.00 0.00 178.16 179.67 2hgc s ILE 46 N -2.77 0.19 0.22 -2.88 -5.25 -1.23 -1.63 121.20 107.86 2hgc s ILE 46 Ca -0.03 -1.55 0.03 0.00 -0.99 0.00 0.00 60.65 58.11 2hgc s ILE 46 Cb 0.08 -1.17 -0.05 0.00 2.95 0.00 0.00 42.46 44.27 2hgc s ILE 46 CO 0.87 -0.86 0.01 0.27 -1.79 0.00 0.00 174.94 173.44 2hgc s ILE 47 N -3.23 0.91 0.00 8.37 -4.36 0.11 -4.59 121.20 118.41 2hgc s ILE 47 Ca 0.01 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 2hgc s ILE 47 Cb 0.03 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.42 2hgc s ILE 47 CO -0.07 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.38 2hgc n GLY 48 N -0.38 0.77 3.70 6.27 0.00 -1.26 -0.50 105.19 113.79 2hgc n GLY 48 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.68 4.39 0.04 1.61 1.01 -1.26 -4.14 120.40 119.37 2hgc s VAL 49 Ca 0.00 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2hgc s VAL 49 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2hgc s VAL 49 CO 0.00 0.05 0.25 -1.00 0.00 0.00 0.00 175.10 174.39 2hgc s HIS 50 N 1.76 3.54 0.03 5.22 3.76 -1.17 -4.97 115.29 123.47 2hgc s HIS 50 Ca 0.55 0.43 0.09 0.00 -0.15 0.00 0.00 55.06 55.97 2hgc s HIS 50 Cb -0.24 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 2hgc s HIS 50 CO 0.24 0.59 -0.26 0.71 -0.85 0.00 0.00 174.74 175.16 2hgc s TYR 51 N -1.41 2.32 0.33 1.40 1.51 -1.26 0.89 117.35 121.13 2hgc s TYR 51 Ca 0.31 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 56.04 2hgc s TYR 51 Cb -0.13 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2hgc s TYR 51 CO 0.21 0.09 0.06 -1.12 -1.11 0.00 0.00 175.55 173.68 2hgc s SER 52 N -1.11 4.41 0.53 2.29 0.01 -0.66 -4.89 113.70 114.29 2hgc s SER 52 Ca 0.11 -0.87 0.19 0.00 1.31 0.00 0.00 55.95 56.69 2hgc s SER 52 Cb -0.10 -0.64 1.36 0.00 0.21 0.00 0.00 66.02 66.85 2hgc s SER 52 CO 0.01 -0.24 2.15 -0.78 0.41 0.00 0.00 173.24 174.79 2hgc h ASP 53 N 1.71 0.00 0.11 2.44 3.58 -2.01 -2.89 116.42 119.35 2hgc h ASP 53 Ca -0.43 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.66 2hgc h ASP 53 Cb 1.25 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.24 2hgc h ASP 53 CO 0.65 0.00 -2.24 -0.90 -2.88 0.00 0.00 179.24 173.87 2hgc n ASP 54 N -4.43 0.91 -3.67 2.28 5.75 -1.26 -5.01 116.55 111.12 2hgc n ASP 54 Ca -0.02 0.07 -0.14 0.00 -0.01 0.00 0.00 54.79 54.69 2hgc n ASP 54 Cb 0.15 0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 2hgc n ASP 54 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2hgc s ARG 55 N -2.53 0.69 0.58 0.11 3.52 -1.09 -5.15 118.95 115.08 2hgc s ARG 55 Ca -0.17 0.74 -0.20 0.00 -0.13 0.00 0.00 55.73 55.97 2hgc s ARG 55 Cb 0.07 0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 2hgc s ARG 55 CO 0.76 -0.10 1.32 -2.14 -0.81 0.00 0.00 175.30 174.34 2hgc s PRO 56 N 0.17 2.97 -0.22 5.12 0.02 -1.26 -1.65 135.00 140.14 2hgc s PRO 56 Ca -0.01 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.16 2hgc s PRO 56 Cb -0.04 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.41 2hgc s PRO 56 CO 0.01 -1.30 -0.14 -1.01 -0.33 0.00 0.00 177.00 174.24 2hgc s HIS 57 N -1.36 3.01 0.04 6.54 3.76 0.26 -4.85 115.29 122.68 2hgc s HIS 57 Ca 0.75 -1.84 -0.07 0.00 -0.15 0.00 0.00 55.06 53.74 2hgc s HIS 57 Cb -0.38 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.30 2hgc s HIS 57 CO 0.44 -0.81 0.31 -0.51 -0.85 0.00 0.00 174.74 173.32 2hgc s LEU 58 N 1.24 4.36 0.20 0.89 1.43 -1.26 -3.02 118.68 122.52 2hgc s LEU 58 Ca -0.01 0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2hgc s LEU 58 Cb -0.16 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2hgc s LEU 58 CO -0.08 0.22 0.23 -0.72 0.23 0.00 0.00 176.35 176.23 2hgc s TYR 59 N -1.34 0.83 0.10 0.29 1.13 -1.26 -4.61 117.35 112.48 2hgc s TYR 59 Ca 0.30 -1.12 -0.31 0.00 -1.41 0.00 0.00 57.07 54.53 2hgc s TYR 59 Cb -0.13 -0.30 -0.13 0.00 -1.10 0.00 0.00 41.96 40.30 2hgc s TYR 59 CO 0.17 -0.73 1.61 0.87 -2.51 0.00 0.00 175.55 174.97 2hgc h LYS 60 N 2.54 -0.68 -3.66 -3.49 1.57 -1.96 -3.34 116.57 107.55 2hgc h LYS 60 Ca -0.33 0.05 -0.73 0.00 -1.87 0.00 0.00 60.65 57.77 2hgc h LYS 60 Cb 1.24 0.15 -0.32 0.00 0.08 0.00 0.00 32.23 33.39 2hgc h LYS 60 CO 0.48 -0.45 -0.20 -0.51 -0.57 0.00 0.00 179.45 178.20 2hgc s LEU 61 N -10.20 5.78 0.02 2.94 1.43 -1.26 -4.30 118.68 113.08 2hgc s LEU 61 Ca -0.17 -2.82 0.00 0.00 -1.03 0.00 0.00 54.13 50.12 2hgc s LEU 61 Cb 0.06 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2hgc s LEU 61 CO 0.63 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2hgc n GLY 62 N 3.63 -1.93 3.60 -3.19 0.00 -1.25 -5.11 105.19 100.94 2hgc n GLY 62 Ca 0.10 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.07 3.21 0.19 1.61 0.02 -1.24 -4.32 135.00 133.39 2hgc s PRO 63 Ca 0.00 1.52 0.07 0.00 0.02 0.00 0.00 61.00 62.61 2hgc s PRO 63 Cb 0.00 -4.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.22 2hgc s PRO 63 CO 0.00 -2.00 0.07 -1.21 -0.33 0.00 0.00 177.00 173.53 2hgc s GLU 64 N 5.97 2.65 0.11 5.54 0.41 0.34 -4.90 118.70 128.82 2hgc s GLU 64 Ca 0.84 -1.03 -0.06 0.00 -0.41 0.00 0.00 54.97 54.31 2hgc s GLU 64 Cb -0.24 -2.48 -0.05 0.00 -1.78 0.00 0.00 34.13 29.58 2hgc s GLU 64 CO 0.33 0.45 0.36 -0.51 -0.49 0.00 0.00 175.26 175.41 2hgc s LEU 65 N -3.17 4.30 0.00 1.80 1.02 -1.26 -0.71 118.68 120.66 2hgc s LEU 65 Ca 0.30 0.62 0.08 0.00 0.02 0.00 0.00 54.13 55.15 2hgc s LEU 65 Cb -0.09 -3.15 0.08 0.00 0.02 0.00 0.00 46.19 43.04 2hgc s LEU 65 CO 0.21 0.11 0.63 0.35 0.02 0.00 0.00 176.35 177.67 2hgc n THR 66 N 0.40 0.00 -0.25 5.49 -2.24 -0.65 -4.93 114.28 112.11 2hgc n THR 66 Ca -0.05 -2.07 0.02 0.00 -2.27 0.00 0.00 64.05 59.68 2hgc n THR 66 Cb 0.52 -0.28 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 2hgc n THR 66 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2hgc h GLU 67 N 0.00 0.58 -0.03 -0.78 4.57 -1.87 0.59 114.58 117.64 2hgc h GLU 67 Ca -0.31 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2hgc h GLU 67 Cb 1.27 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2hgc h GLU 67 CO 0.47 0.38 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.36 2hgc h LYS 68 N 0.60 -0.15 -0.52 1.92 1.63 -1.87 -0.74 116.57 117.44 2hgc h LYS 68 Ca 0.36 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 60.07 2hgc h LYS 68 Cb 0.40 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2hgc h LYS 68 CO -0.28 -0.10 -0.07 0.78 -3.45 0.00 0.00 179.45 176.32 2hgc h GLY 69 N -0.16 1.01 0.96 5.01 0.00 -1.57 -2.52 103.07 105.80 2hgc h GLY 69 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2hgc h GLY 69 CO -0.12 0.70 0.16 -2.09 0.00 0.00 0.00 176.54 175.19 2hgc h GLU 70 N 0.84 0.39 -0.80 4.80 4.81 -0.57 -2.12 114.58 121.94 2hgc h GLU 70 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2hgc h GLU 70 Cb 0.60 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2hgc h GLU 70 CO 0.04 0.34 0.44 -0.91 -0.73 0.00 0.00 179.01 178.19 2hgc h ASN 71 N 0.34 1.00 -0.93 1.04 2.35 -1.08 -2.74 115.58 115.56 2hgc h ASN 71 Ca 0.10 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2hgc h ASN 71 Cb 0.06 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2hgc h ASN 71 CO -0.02 0.80 0.55 0.22 -1.65 0.00 0.00 177.43 177.34 2hgc h TYR 72 N 1.11 1.23 -0.74 1.19 3.20 -1.09 -1.16 116.97 120.70 2hgc h TYR 72 Ca 0.28 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.17 2hgc h TYR 72 Cb 0.03 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 2hgc h TYR 72 CO 0.00 0.83 0.47 -0.07 -1.64 0.00 0.00 178.16 177.75 2hgc h LEU 73 N 1.28 0.79 -0.72 2.82 3.38 -1.10 0.24 115.31 121.99 2hgc h LEU 73 Ca 0.33 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 2hgc h LEU 73 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2hgc h LEU 73 CO -0.06 0.55 0.11 0.50 0.09 0.00 0.00 178.44 179.63 2hgc h LYS 74 N 0.93 1.08 0.07 1.13 3.64 -1.09 0.30 116.57 122.64 2hgc h LYS 74 Ca 0.29 -0.28 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2hgc h LYS 74 Cb -0.02 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2hgc h LYS 74 CO -0.10 0.99 -1.16 0.93 -2.27 0.00 0.00 179.45 177.84 2hgc h GLU 75 N 1.02 0.63 -0.27 1.90 5.08 -0.82 -3.26 114.58 118.86 2hgc h GLU 75 Ca 0.20 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2hgc h GLU 75 Cb 0.43 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2hgc h GLU 75 CO 0.01 1.34 0.00 -1.71 -1.00 0.00 0.00 179.01 177.65 2hgc n ASN 76 N -3.80 2.12 0.24 1.42 5.15 0.80 -4.26 115.26 116.93 2hgc n ASN 76 Ca -0.12 -1.83 0.10 0.00 -0.60 0.00 0.00 54.58 52.13 2hgc n ASN 76 Cb 0.94 -0.17 0.55 0.00 -0.53 0.00 0.00 39.78 40.57 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 4.95 0.00 0.00 8.20 0.00 -0.98 -3.39 103.07 111.85 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 0.00 -0.37 0.00 0.00 0.00 176.54 176.17 2hgc n THR 78 N -2.42 0.00 -0.00 4.70 5.66 -1.26 -5.07 114.28 115.88 2hgc n THR 78 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2hgc n THR 78 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2hgc n THR 78 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 2hgc n TRP 79 N 0.00 -0.00 -2.55 1.09 -0.00 -1.26 -4.73 117.44 109.99 2hgc n TRP 79 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 2hgc n TRP 79 Cb 0.00 -0.66 -0.01 0.00 -0.00 0.00 0.00 31.31 30.64 2hgc n TRP 79 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2hgc s SER 80 N -2.68 6.65 -0.06 5.87 0.15 -1.26 -4.74 113.70 117.64 2hgc s SER 80 Ca 0.00 -2.13 0.10 0.00 0.70 0.00 0.00 55.95 54.62 2hgc s SER 80 Cb 0.00 -2.58 0.38 0.00 -1.71 0.00 0.00 66.02 62.12 2hgc s SER 80 CO 0.00 -1.36 1.23 2.29 1.20 0.00 0.00 173.24 176.60 2hgc n LYS 81 N 8.53 2.43 0.00 5.44 2.85 -1.26 -5.23 118.16 130.92 2hgc n LYS 81 Ca 0.45 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 56.19 2hgc n LYS 81 Cb 0.47 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35