#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgl h ALA 2 N 0.00 1.37 -0.01 4.61 0.00 -1.99 -1.73 119.26 121.52 3hgl h ALA 2 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hgl h ALA 2 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hgl h ALA 2 CO 0.00 0.33 -0.00 0.28 0.00 0.00 0.00 179.25 179.86 3hgl h VAL 3 N 0.00 1.26 -0.79 0.00 2.07 -1.96 0.33 116.25 117.15 3hgl h VAL 3 Ca -0.00 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hgl h VAL 3 Cb 0.53 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3hgl h VAL 3 CO 0.03 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.24 3hgl h ALA 4 N 0.68 1.02 0.04 1.67 0.00 -1.95 -1.19 119.26 119.52 3hgl h ALA 4 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hgl h ALA 4 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hgl h ALA 4 CO 0.00 0.54 -0.06 1.25 0.00 0.00 0.00 179.25 180.98 3hgl h HIS 5 N 1.10 -0.15 -0.52 0.00 -0.00 -1.19 -1.77 115.15 112.62 3hgl h HIS 5 Ca 0.28 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.69 3hgl h HIS 5 Cb 0.06 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 3hgl h HIS 5 CO 0.01 -0.10 0.29 0.00 -0.00 0.00 0.00 177.93 178.13 3hgl h ALA 6 N 0.83 0.67 -0.76 5.26 0.00 -0.59 -1.82 119.26 122.86 3hgl h ALA 6 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hgl h ALA 6 Cb 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hgl h ALA 6 CO -0.04 -0.03 0.50 -0.91 0.00 0.00 0.00 179.25 178.77 3hgl h ASN 7 N 0.56 0.86 -0.16 0.00 2.35 -0.97 -1.95 115.58 116.27 3hgl h ASN 7 Ca 0.22 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3hgl h ASN 7 Cb 0.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hgl h ASN 7 CO -0.13 0.62 -0.21 0.28 -1.65 0.00 0.00 177.43 176.34 3hgl h SER 8 N 1.02 0.59 -0.68 5.81 0.02 -0.59 -2.24 113.55 117.48 3hgl h SER 8 Ca 0.28 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3hgl h SER 8 Cb -0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3hgl h SER 8 CO -0.06 0.80 0.20 0.40 -1.14 0.00 0.00 176.83 177.03 3hgl h ILE 9 N 0.53 1.26 -0.43 3.27 2.04 -0.62 0.22 117.51 123.77 3hgl h ILE 9 Ca 0.08 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3hgl h ILE 9 Cb 0.65 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3hgl h ILE 9 CO 0.05 0.35 0.27 0.58 0.00 0.00 0.00 178.15 179.39 3hgl h VAL 10 N 0.99 1.13 -0.62 1.67 2.07 -1.13 0.13 116.25 120.50 3hgl h VAL 10 Ca 0.22 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hgl h VAL 10 Cb 0.32 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3hgl h VAL 10 CO -0.00 0.13 0.36 1.56 0.02 0.00 0.00 177.57 179.64 3hgl h GLN 11 N 0.58 0.68 -0.37 1.57 1.08 -0.96 -1.09 115.11 116.60 3hgl h GLN 11 Ca 0.16 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3hgl h GLN 11 Cb -0.03 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 3hgl h GLN 11 CO -0.03 0.45 0.18 0.37 -0.95 0.00 0.00 178.83 178.85 3hgl h GLN 12 N 0.70 0.53 0.05 1.46 4.15 -0.39 0.06 115.11 121.67 3hgl h GLN 12 Ca 0.26 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.61 3hgl h GLN 12 Cb 0.08 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3hgl h GLN 12 CO -0.13 0.47 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.08 3hgl h LEU 13 N 0.46 -0.25 -0.08 -2.39 3.38 -0.51 -0.62 115.31 115.29 3hgl h LEU 13 Ca 0.13 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hgl h LEU 13 Cb 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hgl h LEU 13 CO -0.02 -0.14 0.01 0.58 0.09 0.00 0.00 178.44 178.96 3hgl h VAL 14 N -0.18 0.95 -0.89 1.22 2.07 -1.10 -1.08 116.25 117.24 3hgl h VAL 14 Ca 0.02 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3hgl h VAL 14 Cb 0.20 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3hgl h VAL 14 CO -0.06 0.01 0.58 -1.28 0.02 0.00 0.00 177.57 176.84 3hgl h SER 15 N 0.04 0.83 -0.13 0.57 0.87 -0.77 -1.10 113.55 113.87 3hgl h SER 15 Ca 0.04 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3hgl h SER 15 Cb 0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3hgl h SER 15 CO -0.06 0.51 0.00 -0.62 -0.53 0.00 0.00 176.83 176.13 3hgl n GLU 16 N -4.52 1.36 -1.10 2.24 1.02 -0.26 -4.90 120.64 114.49 3hgl n GLU 16 Ca 0.15 -0.55 -0.01 0.00 -0.02 0.00 0.00 57.16 56.73 3hgl n GLU 16 Cb 0.27 -1.22 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3hgl n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgl n GLY 17 N 0.84 0.46 3.81 0.62 0.00 -0.41 -5.04 105.19 105.46 3hgl n GLY 17 Ca 0.09 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 3hgl n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgl s ALA 18 N -2.04 2.94 -0.74 4.61 0.00 -0.44 -4.98 121.76 121.09 3hgl s ALA 18 Ca 0.00 0.50 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 3hgl s ALA 18 Cb 0.00 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.02 3hgl s ALA 18 CO 0.00 -0.17 0.95 0.34 0.00 0.00 0.00 175.76 176.88 3hgl s ASP 19 N -2.14 6.36 0.47 0.00 2.15 -1.26 -4.64 116.67 117.61 3hgl s ASP 19 Ca 0.65 -1.53 0.32 0.00 0.43 0.00 0.00 52.55 52.41 3hgl s ASP 19 Cb -0.13 -2.38 1.65 0.00 -0.30 0.00 0.00 42.92 41.76 3hgl s ASP 19 CO 0.19 -1.20 1.96 0.16 -0.17 0.00 0.00 175.17 176.11 3hgl h ILE 20 N 5.86 0.00 -0.24 4.11 3.07 -1.93 0.78 117.51 129.16 3hgl h ILE 20 Ca -0.12 -0.07 -0.16 0.00 1.55 0.00 0.00 64.86 66.06 3hgl h ILE 20 Cb 1.06 0.81 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 3hgl h ILE 20 CO 1.12 0.00 -0.50 0.77 -1.05 0.00 0.00 178.15 178.49 3hgl h SER 21 N 0.00 0.75 -0.17 2.16 4.64 -1.95 -0.66 113.55 118.31 3hgl h SER 21 Ca 0.00 -0.38 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 3hgl h SER 21 Cb 0.08 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hgl h SER 21 CO 0.00 1.12 -0.52 -0.74 -0.87 0.00 0.00 176.83 175.81 3hgl h HIS 22 N 0.53 0.93 -0.70 4.77 -0.00 -1.31 -2.92 115.15 116.46 3hgl h HIS 22 Ca 0.02 -0.32 -0.03 0.00 -0.00 0.00 0.00 60.37 60.04 3hgl h HIS 22 Cb 1.06 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.26 3hgl h HIS 22 CO 0.05 1.11 0.30 1.15 -0.00 0.00 0.00 177.93 180.55 3hgl h THR 23 N 0.58 1.23 -0.66 6.26 2.02 -0.99 -2.22 112.91 119.13 3hgl h THR 23 Ca 0.02 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3hgl h THR 23 Cb 1.10 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3hgl h THR 23 CO 0.11 0.29 0.43 0.03 0.37 0.00 0.00 175.52 176.74 3hgl h ARG 24 N 1.00 0.88 -0.10 6.66 3.08 -0.99 0.21 114.38 125.13 3hgl h ARG 24 Ca 0.24 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3hgl h ARG 24 Cb 0.15 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3hgl h ARG 24 CO -0.03 0.59 0.00 0.09 -1.07 0.00 0.00 179.97 179.56 3hgl n ASN 25 N -4.61 0.09 0.00 7.04 3.02 -0.84 -1.37 115.26 118.60 3hgl n ASN 25 Ca 0.05 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3hgl n ASN 25 Cb 0.03 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3hgl n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3hgl n LEU 27 N 0.45 0.00 -0.14 3.41 7.94 0.06 -1.58 117.00 127.14 3hgl n LEU 27 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3hgl n LEU 27 Cb 0.02 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.97 3hgl n LEU 27 CO 0.00 0.00 0.97 -0.09 -1.11 0.00 0.00 177.39 177.16 3hgl h ARG 28 N 0.00 0.61 -0.18 1.96 2.43 -1.46 -2.83 114.38 114.91 3hgl h ARG 28 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3hgl h ARG 28 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3hgl h ARG 28 CO 0.00 0.53 0.11 -0.91 -1.51 0.00 0.00 179.97 178.19 3hgl h ASN 29 N 0.55 0.21 0.00 -3.80 4.21 -1.56 -2.27 115.58 112.92 3hgl h ASN 29 Ca 0.15 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3hgl h ASN 29 Cb 0.11 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3hgl h ASN 29 CO -0.02 0.16 0.00 0.00 -1.29 0.00 0.00 177.43 176.28 3hgl n ALA 30 N -2.15 1.25 0.00 -0.83 0.00 -1.07 -0.60 120.51 117.11 3hgl n ALA 30 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hgl n ALA 30 Cb 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hgl n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hgl n ASN 32 N 0.82 0.00 -0.10 0.00 3.02 -0.85 -4.38 115.26 113.76 3hgl n ASN 32 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3hgl n ASN 32 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3hgl n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgl n GLY 33 N 0.00 0.49 3.87 7.41 0.00 -0.75 -5.03 105.19 111.19 3hgl n GLY 33 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 3hgl n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hgl s ASP 34 N -2.89 6.36 0.52 1.61 1.01 0.23 -5.01 116.67 118.49 3hgl s ASP 34 Ca 0.00 1.28 -0.22 0.00 0.71 0.00 0.00 52.55 54.31 3hgl s ASP 34 Cb 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 3hgl s ASP 34 CO 0.00 -0.67 1.32 0.00 0.21 0.00 0.00 175.17 176.04 3hgl s ALA 35 N -2.83 2.89 0.23 5.23 0.00 -1.26 -4.36 121.76 121.65 3hgl s ALA 35 Ca 0.53 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.80 3hgl s ALA 35 Cb -0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3hgl s ALA 35 CO 0.44 -1.21 -0.05 0.14 0.00 0.00 0.00 175.76 175.08 3hgl s VAL 36 N -1.34 1.31 -0.44 0.00 -7.23 -1.26 -4.83 120.40 106.61 3hgl s VAL 36 Ca 0.69 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 3hgl s VAL 36 Cb -0.38 -2.25 0.24 0.00 0.56 0.00 0.00 36.38 34.54 3hgl s VAL 36 CO 0.46 -0.42 0.67 0.00 -0.31 0.00 0.00 175.10 175.49 3hgl n ALA 37 N -0.42 0.77 -1.76 1.32 0.00 -1.26 -5.13 120.51 114.03 3hgl n ALA 37 Ca -0.06 -2.51 -0.38 0.00 0.00 0.00 0.00 53.44 50.49 3hgl n ALA 37 Cb 0.63 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 19.06 3hgl n ALA 37 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hgl s PHE 38 N -0.31 2.43 1.07 0.00 0.08 -1.26 -4.99 117.98 115.01 3hgl s PHE 38 Ca 0.34 1.40 -0.13 0.00 0.12 0.00 0.00 56.93 58.66 3hgl s PHE 38 Cb 0.18 -3.72 0.23 0.00 -0.57 0.00 0.00 43.02 39.14 3hgl s PHE 38 CO -0.17 -2.60 1.07 -1.54 -0.10 0.00 0.00 175.22 171.89 3hgl s SER 39 N -0.99 1.95 0.20 1.36 1.04 -1.26 -4.62 113.70 111.37 3hgl s SER 39 Ca 0.69 1.24 -0.11 0.00 0.48 0.00 0.00 55.95 58.24 3hgl s SER 39 Cb -0.38 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 63.94 3hgl s SER 39 CO 0.46 -3.56 1.85 0.03 0.98 0.00 0.00 173.24 173.00 3hgl h ARG 40 N -2.19 0.82 -0.12 4.02 3.08 -1.99 0.11 114.38 118.12 3hgl h ARG 40 Ca -0.57 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 3hgl h ARG 40 Cb 1.34 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3hgl h ARG 40 CO 0.55 0.54 0.05 0.28 -1.07 0.00 0.00 179.97 180.33 3hgl h VAL 41 N 0.84 1.13 -0.31 2.04 2.07 -1.97 -1.51 116.25 118.53 3hgl h VAL 41 Ca 0.26 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3hgl h VAL 41 Cb -0.03 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hgl h VAL 41 CO -0.08 0.12 0.17 -0.33 0.02 0.00 0.00 177.57 177.47 3hgl h GLU 42 N 0.05 0.43 -0.35 1.57 5.08 -1.83 -1.75 114.58 117.79 3hgl h GLU 42 Ca 0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hgl h GLU 42 Cb 0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hgl h GLU 42 CO -0.00 0.36 0.20 0.37 -1.00 0.00 0.00 179.01 178.93 3hgl h GLN 43 N 0.39 0.39 -0.74 2.33 4.15 -0.72 0.22 115.11 121.13 3hgl h GLN 43 Ca 0.11 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.54 3hgl h GLN 43 Cb 0.05 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3hgl h GLN 43 CO -0.02 0.26 0.46 -0.97 -1.93 0.00 0.00 178.83 176.63 3hgl h ASN 44 N 0.40 0.76 0.11 -0.69 -0.73 -1.10 -1.40 115.58 112.92 3hgl h ASN 44 Ca 0.14 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 3hgl h ASN 44 Cb 0.01 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.44 3hgl h ASN 44 CO -0.07 0.51 -0.05 0.40 -0.37 0.00 0.00 177.43 177.85 3hgl h ILE 45 N 0.90 1.10 -0.36 2.57 2.04 -0.76 -3.22 117.51 119.77 3hgl h ILE 45 Ca 0.30 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3hgl h ILE 45 Cb 0.05 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3hgl h ILE 45 CO -0.12 0.21 0.24 -0.26 0.00 0.00 0.00 178.15 178.22 3hgl h PHE 46 N -0.56 0.33 0.00 1.37 0.04 -0.44 -1.32 116.94 116.36 3hgl h PHE 46 Ca -0.01 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3hgl h PHE 46 Cb 0.45 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3hgl h PHE 46 CO 0.06 0.19 -0.16 0.00 -0.60 0.00 0.00 178.31 177.80 3hgl h ARG 47 N 0.34 0.00 0.00 1.51 3.08 -1.27 0.30 114.38 118.35 3hgl h ARG 47 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 3hgl h ARG 47 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hgl h ARG 47 CO -0.03 0.16 -0.51 1.96 -1.07 0.00 0.00 179.97 180.48 3hgl h GLN 48 N 0.00 0.00 0.00 0.04 4.20 -1.28 -3.28 115.11 114.80 3hgl h GLN 48 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hgl h GLN 48 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3hgl h GLN 48 CO 0.02 0.51 -1.73 0.72 -0.67 0.00 0.00 178.83 177.68 3hgl n HIS 49 N -3.64 0.00 -3.55 2.96 8.25 -0.77 -4.67 115.22 113.80 3hgl n HIS 49 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3hgl n HIS 49 Cb 0.58 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 31.22 3hgl n HIS 49 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hgl n PHE 50 N -2.06 1.39 0.28 4.41 3.72 0.99 -4.98 117.46 121.20 3hgl n PHE 50 Ca -0.03 -3.84 0.18 0.00 -0.05 0.00 0.00 57.45 53.71 3hgl n PHE 50 Cb 0.43 -0.28 0.89 0.00 -0.94 0.00 0.00 39.48 39.59 3hgl n PHE 50 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hgl h PRO 51 N 5.06 0.00 -3.25 -1.08 0.13 -1.79 -3.42 132.00 127.65 3hgl h PRO 51 Ca 0.19 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.56 3hgl h PRO 51 Cb 0.81 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.62 3hgl h PRO 51 CO 0.58 0.00 0.25 0.09 -0.23 0.00 0.00 178.00 178.70 3hgl n ASN 52 N -3.21 5.11 0.00 1.44 5.03 -1.26 -5.08 115.26 117.28 3hgl n ASN 52 Ca -0.00 -3.18 0.00 0.00 0.87 0.00 0.00 54.58 52.27 3hgl n ASN 52 Cb 0.34 -1.19 0.00 0.00 -1.02 0.00 0.00 39.78 37.91 3hgl n ASN 52 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3hgl n PRO 54 N 2.14 -0.40 0.00 3.52 -0.02 -1.26 -4.01 135.00 134.97 3hgl n PRO 54 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3hgl n PRO 54 Cb 0.37 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 3hgl n PRO 54 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hgl n HIS 56 N 0.71 0.00 -4.06 6.00 8.25 -1.26 -5.15 115.22 119.71 3hgl n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hgl n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hgl n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hgl n GLY 57 N -0.15 -0.48 3.03 -1.41 0.00 -1.26 -4.76 105.19 100.15 3hgl n GLY 57 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3hgl n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgl s ILE 58 N 0.00 1.61 0.26 -0.61 1.01 -1.26 -4.92 121.20 117.28 3hgl s ILE 58 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 3hgl s ILE 58 Cb 0.00 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.88 3hgl s ILE 58 CO 0.00 0.46 1.23 -0.55 0.00 0.00 0.00 174.94 176.09 3hgl s SER 59 N 1.45 6.99 0.34 3.58 0.15 -1.26 -4.77 113.70 120.17 3hgl s SER 59 Ca 0.04 2.42 0.26 0.00 0.70 0.00 0.00 55.95 59.38 3hgl s SER 59 Cb -0.13 -2.63 1.13 0.00 -1.71 0.00 0.00 66.02 62.69 3hgl s SER 59 CO -0.10 -0.40 1.79 0.08 1.20 0.00 0.00 173.24 175.81 3hgl h ARG 60 N 4.35 0.00 -0.01 5.44 0.11 -1.99 -1.83 114.38 120.44 3hgl h ARG 60 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3hgl h ARG 60 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3hgl h ARG 60 CO 0.71 0.00 -0.34 -0.25 0.10 0.00 0.00 179.97 180.18 3hgl n ASP 61 N -2.46 1.78 -4.70 0.08 8.00 -1.26 -4.78 116.55 113.20 3hgl n ASP 61 Ca 0.01 -1.37 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 3hgl n ASP 61 Cb 0.23 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3hgl n ASP 61 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hgl s SER 62 N -2.42 6.46 0.25 -2.24 0.15 -0.69 -4.88 113.70 110.33 3hgl s SER 62 Ca 0.22 2.73 -0.06 0.00 0.70 0.00 0.00 55.95 59.54 3hgl s SER 62 Cb 0.19 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 62.18 3hgl s SER 62 CO 0.52 -0.96 1.87 -0.08 1.20 0.00 0.00 173.24 175.79 3hgl h GLU 63 N 7.90 1.20 -0.26 5.44 4.81 -1.92 -0.56 114.58 131.20 3hgl h GLU 63 Ca -0.44 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 58.58 3hgl h GLU 63 Cb 1.21 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3hgl h GLU 63 CO 0.94 0.88 -0.09 1.25 -0.73 0.00 0.00 179.01 181.26 3hgl h LEU 64 N 1.21 0.53 -0.56 1.64 5.85 -1.89 -2.20 115.31 119.88 3hgl h LEU 64 Ca 0.30 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3hgl h LEU 64 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3hgl h LEU 64 CO -0.05 0.80 0.37 0.00 -0.34 0.00 0.00 178.44 179.22 3hgl h ALA 65 N 0.75 0.72 -0.35 1.25 0.00 -1.79 0.19 119.26 120.02 3hgl h ALA 65 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hgl h ALA 65 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hgl h ALA 65 CO 0.03 0.14 0.21 0.82 0.00 0.00 0.00 179.25 180.46 3hgl h ILE 66 N 0.75 1.05 -0.39 0.00 2.04 -1.05 0.18 117.51 120.09 3hgl h ILE 66 Ca 0.21 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3hgl h ILE 66 Cb -0.08 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3hgl h ILE 66 CO -0.05 0.08 -0.17 -0.33 0.00 0.00 0.00 178.15 177.68 3hgl h GLU 67 N 0.43 0.73 -0.68 2.37 4.39 -1.04 -2.53 114.58 118.25 3hgl h GLU 67 Ca 0.14 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 3hgl h GLU 67 Cb -0.01 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3hgl h GLU 67 CO -0.06 0.86 0.16 1.25 -1.16 0.00 0.00 179.01 180.06 3hgl h LEU 68 N 0.65 1.04 -0.59 1.33 5.85 -0.12 0.15 115.31 123.62 3hgl h LEU 68 Ca 0.10 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3hgl h LEU 68 Cb 0.65 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3hgl h LEU 68 CO 0.05 1.01 0.36 -0.09 -0.34 0.00 0.00 178.44 179.42 3hgl h ARG 69 N 1.03 0.69 -0.33 1.25 2.43 -0.40 0.22 114.38 119.27 3hgl h ARG 69 Ca 0.21 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3hgl h ARG 69 Cb 0.38 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hgl h ARG 69 CO 0.00 0.45 -0.16 0.78 -1.51 0.00 0.00 179.97 179.54 3hgl h GLY 70 N 0.71 0.74 1.07 2.80 0.00 -1.12 -2.27 103.07 105.01 3hgl h GLY 70 Ca 0.24 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3hgl h GLY 70 CO -0.10 0.61 0.38 0.00 0.00 0.00 0.00 176.54 177.43 3hgl h ALA 71 N 0.77 1.12 -0.44 3.60 0.00 -0.69 -1.75 119.26 121.88 3hgl h ALA 71 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3hgl h ALA 71 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hgl h ALA 71 CO 0.05 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.76 3hgl h LEU 72 N 1.18 0.86 -0.19 0.00 3.38 -0.92 -0.92 115.31 118.71 3hgl h LEU 72 Ca 0.28 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hgl h LEU 72 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hgl h LEU 72 CO -0.03 1.03 0.12 -0.09 0.09 0.00 0.00 178.44 179.56 3hgl h ARG 73 N 0.68 0.25 -0.53 1.13 2.43 -1.14 -1.20 114.38 116.01 3hgl h ARG 73 Ca 0.11 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3hgl h ARG 73 Cb 0.66 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3hgl h ARG 73 CO 0.05 0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 3hgl h ARG 74 N 0.24 0.89 -0.30 0.20 3.08 -1.29 -2.44 114.38 114.76 3hgl h ARG 74 Ca 0.07 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3hgl h ARG 74 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3hgl h ARG 74 CO -0.01 0.88 0.18 0.00 -1.07 0.00 0.00 179.97 179.95 3hgl h ALA 75 N 1.17 0.39 -0.76 0.04 0.00 -0.77 1.17 119.26 120.49 3hgl h ALA 75 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hgl h ALA 75 Cb 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hgl h ALA 75 CO 0.02 -0.11 0.42 0.28 0.00 0.00 0.00 179.25 179.86 3hgl h VAL 76 N 0.38 1.23 0.05 0.00 2.07 -1.13 -3.18 116.25 115.66 3hgl h VAL 76 Ca 0.11 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 3hgl h VAL 76 Cb 0.02 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3hgl h VAL 76 CO -0.02 0.25 -0.45 0.45 0.02 0.00 0.00 177.57 177.81 3hgl h HIS 77 N 1.04 0.37 0.00 1.57 -0.00 -1.14 -3.52 115.15 113.47 3hgl h HIS 77 Ca 0.27 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3hgl h HIS 77 Cb 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 3hgl h HIS 77 CO -0.00 1.11 0.00 1.04 -0.00 0.00 0.00 177.93 180.08