#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfv n GLY 2 N 0.00 3.58 2.96 -5.12 0.00 -1.26 -5.12 105.19 100.23 2hfv n GLY 2 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 2hfv n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hfv s SER 3 N 0.00 -0.04 -0.89 1.61 0.01 -1.26 -5.04 113.70 108.09 2hfv s SER 3 Ca 0.00 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2hfv s SER 3 Cb 0.00 1.22 0.30 0.00 0.21 0.00 0.00 66.02 67.75 2hfv s SER 3 CO 0.00 -0.25 1.29 -1.54 0.41 0.00 0.00 173.24 173.14 2hfv n SER 4 N 4.61 5.66 -3.67 2.44 3.41 -1.26 -4.95 113.62 119.86 2hfv n SER 4 Ca 0.08 -3.51 -0.09 0.00 -0.26 0.00 0.00 58.87 55.09 2hfv n SER 4 Cb 0.50 -1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.36 2hfv n SER 4 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2hfv s HIS 5 N -3.09 -0.83 0.02 7.33 0.00 -1.26 -5.17 115.29 112.29 2hfv s HIS 5 Ca 0.37 1.73 -0.12 0.00 -3.00 0.00 0.00 55.06 54.04 2hfv s HIS 5 Cb 0.13 0.44 0.01 0.00 -4.00 0.00 0.00 32.58 29.16 2hfv s HIS 5 CO 0.00 -0.43 0.26 -3.38 -1.00 0.00 0.00 174.74 170.19 2hfv s HIS 6 N 1.37 -0.06 -0.49 0.38 0.00 -1.26 -5.11 115.29 110.11 2hfv s HIS 6 Ca -0.08 -0.03 0.06 0.00 -3.00 0.00 0.00 55.06 52.01 2hfv s HIS 6 Cb -0.06 0.04 0.18 0.00 -4.00 0.00 0.00 32.58 28.75 2hfv s HIS 6 CO -0.14 -0.43 0.65 -1.58 -1.00 0.00 0.00 174.74 172.24 2hfv s HIS 7 N -2.09 -1.17 -0.48 0.38 5.65 -1.26 -5.06 115.29 111.25 2hfv s HIS 7 Ca -0.08 -0.77 0.06 0.00 0.25 0.00 0.00 55.06 54.51 2hfv s HIS 7 Cb -0.03 0.11 0.20 0.00 -1.18 0.00 0.00 32.58 31.68 2hfv s HIS 7 CO -0.01 -1.19 0.68 1.58 -0.65 0.00 0.00 174.74 175.15 2hfv n HIS 8 N 3.10 -2.92 -3.18 3.88 -0.00 -1.26 -5.10 115.22 109.74 2hfv n HIS 8 Ca 0.19 -1.98 0.05 0.00 0.46 0.00 0.00 57.72 56.43 2hfv n HIS 8 Cb 0.54 1.14 -0.03 0.00 -0.12 0.00 0.00 29.99 31.53 2hfv n HIS 8 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2hfv s HIS 9 N 0.51 -0.22 0.00 1.57 2.46 -1.26 -5.04 115.29 113.32 2hfv s HIS 9 Ca 0.31 0.29 0.00 0.00 0.47 0.00 0.00 55.06 56.13 2hfv s HIS 9 Cb 0.08 0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.62 2hfv s HIS 9 CO -0.13 -0.11 0.30 -2.39 -2.47 0.00 0.00 174.74 169.94 2hfv n HIS 10 N 5.13 0.00 -2.58 3.88 -0.00 -1.26 -5.10 115.22 115.30 2hfv n HIS 10 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.22 2hfv n HIS 10 Cb 0.55 0.21 -0.02 0.00 -0.00 0.00 0.00 29.99 30.72 2hfv n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2hfv s SER 11 N 0.00 6.47 -0.25 4.39 0.01 -1.26 -4.96 113.70 118.10 2hfv s SER 11 Ca 0.00 0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 2hfv s SER 11 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 2hfv s SER 11 CO 0.00 -1.45 0.63 -0.44 0.41 0.00 0.00 173.24 172.38 2hfv s SER 12 N 2.90 -0.84 0.00 2.44 0.01 -1.26 -5.04 113.70 111.91 2hfv s SER 12 Ca 0.44 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2hfv s SER 12 Cb -0.07 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.41 2hfv s SER 12 CO 0.26 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2hfv n GLY 13 N 4.24 0.78 3.29 3.44 0.00 -1.26 -5.09 105.19 110.59 2hfv n GLY 13 Ca -0.20 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 2hfv n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hfv s ARG 14 N 0.00 3.51 0.00 1.61 0.52 -1.26 -4.71 118.95 118.62 2hfv s ARG 14 Ca 0.00 -2.57 0.00 0.00 -0.52 0.00 0.00 55.73 52.64 2hfv s ARG 14 Cb 0.00 -4.33 0.00 0.00 0.52 0.00 0.00 34.95 31.14 2hfv s ARG 14 CO 0.00 -1.27 0.20 0.39 0.02 0.00 0.00 175.30 174.64 2hfv n GLU 15 N 3.73 2.55 -2.95 3.54 1.02 -1.26 -4.95 120.64 122.32 2hfv n GLU 15 Ca 0.14 -0.20 -0.44 0.00 -0.02 0.00 0.00 57.16 56.65 2hfv n GLU 15 Cb 0.45 -0.65 -0.04 0.00 -0.02 0.00 0.00 31.44 31.17 2hfv n GLU 15 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2hfv s ASN 16 N -0.42 6.19 -0.26 1.62 0.02 -1.26 -4.98 114.94 115.86 2hfv s ASN 16 Ca 0.00 -1.05 -0.02 0.00 -1.02 0.00 0.00 52.86 50.77 2hfv s ASN 16 Cb 0.00 -2.38 0.08 0.00 0.02 0.00 0.00 41.25 38.98 2hfv s ASN 16 CO 0.00 -1.29 0.08 -0.22 0.02 0.00 0.00 177.10 175.69 2hfv s LEU 17 N 3.55 1.41 -0.07 0.60 1.98 -1.26 -5.11 118.68 119.77 2hfv s LEU 17 Ca 0.19 -1.21 -0.11 0.00 -2.89 0.00 0.00 54.13 50.11 2hfv s LEU 17 Cb -0.19 -0.63 0.02 0.00 0.66 0.00 0.00 46.19 46.06 2hfv s LEU 17 CO 0.10 -0.38 0.28 -0.72 -1.89 0.00 0.00 176.35 173.75 2hfv s TYR 18 N 1.83 -0.24 -0.02 5.38 1.13 -1.26 -5.16 117.35 119.01 2hfv s TYR 18 Ca 0.05 0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 56.25 2hfv s TYR 18 Cb -0.17 0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 2hfv s TYR 18 CO -0.20 -0.23 0.04 -0.59 -2.51 0.00 0.00 175.55 172.05 2hfv s PHE 19 N -0.41 -0.02 0.00 -3.49 -0.71 -1.26 -4.87 117.98 107.21 2hfv s PHE 19 Ca -0.05 0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2hfv s PHE 19 Cb -0.04 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.72 2hfv s PHE 19 CO 0.02 -0.04 0.00 0.94 -1.34 0.00 0.00 175.22 174.79 2hfv n GLN 20 N 3.41 1.13 0.00 1.99 7.27 -1.26 -5.04 117.38 124.88 2hfv n GLN 20 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 2hfv n GLN 20 Cb 0.57 -0.77 0.00 0.00 2.41 0.00 0.00 30.24 32.44 2hfv n GLN 20 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hfv n GLY 21 N 2.23 1.64 3.69 1.69 0.00 -1.26 -5.11 105.19 108.07 2hfv n GLY 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2hfv n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hfv s HIS 22 N -2.00 2.64 0.22 1.61 5.04 -1.26 -5.06 115.29 116.48 2hfv s HIS 22 Ca 0.00 -0.41 0.03 0.00 -1.54 0.00 0.00 55.06 53.14 2hfv s HIS 22 Cb 0.00 -1.58 -0.03 0.00 0.04 0.00 0.00 32.58 31.00 2hfv s HIS 22 CO 0.00 0.40 0.36 -0.51 -2.34 0.00 0.00 174.74 172.65 2hfv s LEU 23 N -3.79 4.28 -0.03 8.88 1.02 -1.26 -2.78 118.68 125.01 2hfv s LEU 23 Ca 0.36 0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.71 2hfv s LEU 23 Cb -0.01 -2.96 0.01 0.00 0.02 0.00 0.00 46.19 43.25 2hfv s LEU 23 CO 0.21 -0.05 -0.05 -0.60 0.02 0.00 0.00 176.35 175.87 2hfv s ARG 24 N -3.72 0.73 0.02 1.70 3.52 0.18 -4.84 118.95 116.54 2hfv s ARG 24 Ca 0.35 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2hfv s ARG 24 Cb -0.10 -0.73 -0.05 0.00 -1.56 0.00 0.00 34.95 32.51 2hfv s ARG 24 CO 0.30 0.00 1.26 -1.83 -0.81 0.00 0.00 175.30 174.22 2hfv s GLU 25 N 0.53 4.37 -0.15 5.12 -1.05 -1.26 -0.27 118.70 125.98 2hfv s GLU 25 Ca -0.07 1.81 0.14 0.00 -0.15 0.00 0.00 54.97 56.71 2hfv s GLU 25 Cb -0.11 -3.44 -0.19 0.00 -0.44 0.00 0.00 34.13 29.95 2hfv s GLU 25 CO 0.00 -0.39 0.06 -0.11 0.95 0.00 0.00 175.26 175.77 2hfv n LEU 26 N 4.58 0.00 -3.47 1.83 7.94 0.28 -4.65 117.00 123.50 2hfv n LEU 26 Ca 0.11 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.90 2hfv n LEU 26 Cb 0.45 0.38 -0.02 0.00 0.53 0.00 0.00 43.42 44.76 2hfv n LEU 26 CO 0.56 0.38 0.55 -1.48 -1.11 0.00 0.00 177.39 176.30 2hfv s LEU 27 N -5.14 -0.47 -0.10 -1.96 2.34 -1.18 -1.20 118.68 110.97 2hfv s LEU 27 Ca -0.08 0.08 -0.05 0.00 0.06 0.00 0.00 54.13 54.15 2hfv s LEU 27 Cb 0.05 2.30 0.05 0.00 -0.56 0.00 0.00 46.19 48.02 2hfv s LEU 27 CO 0.64 -0.75 0.22 0.00 -1.06 0.00 0.00 176.35 175.41 2hfv s ARG 28 N -3.12 0.17 0.10 1.48 1.70 -1.23 -0.71 118.95 117.33 2hfv s ARG 28 Ca 0.02 0.53 -0.04 0.00 -0.47 0.00 0.00 55.73 55.76 2hfv s ARG 28 Cb -0.01 -0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.21 2hfv s ARG 28 CO -0.09 -0.19 0.10 -0.08 -1.08 0.00 0.00 175.30 173.97 2hfv s THR 29 N 1.43 0.15 -1.85 4.99 -1.32 -1.13 -4.95 115.64 112.96 2hfv s THR 29 Ca -0.07 -1.60 0.16 0.00 -1.21 0.00 0.00 61.69 58.96 2hfv s THR 29 Cb -0.11 -1.65 0.19 0.00 -1.51 0.00 0.00 72.50 69.42 2hfv s THR 29 CO -0.08 -0.66 1.08 -0.46 -2.21 0.00 0.00 174.62 172.28 2hfv n ASN 30 N -0.04 2.53 -4.60 8.08 6.94 -1.26 -3.73 115.26 123.18 2hfv n ASN 30 Ca -0.11 -1.73 -0.39 0.00 -0.02 0.00 0.00 54.58 52.33 2hfv n ASN 30 Cb 0.62 -0.07 -0.09 0.00 -2.36 0.00 0.00 39.78 37.88 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2hfv s ASP 31 N -1.26 6.21 0.05 0.53 -1.08 -1.26 -4.98 116.67 114.88 2hfv s ASP 31 Ca 0.21 0.22 -0.20 0.00 -0.52 0.00 0.00 52.55 52.27 2hfv s ASP 31 Cb 0.14 -2.19 -0.13 0.00 -1.46 0.00 0.00 42.92 39.28 2hfv s ASP 31 CO 0.20 -0.16 1.37 0.00 0.52 0.00 0.00 175.17 177.10 2hfv h ALA 32 N 8.22 0.25 -0.20 3.66 0.00 -1.99 -1.80 119.26 127.39 2hfv h ALA 32 Ca -0.32 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2hfv h ALA 32 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2hfv h ALA 32 CO 0.63 0.12 -0.01 0.28 0.00 0.00 0.00 179.25 180.26 2hfv h VAL 33 N 0.05 1.26 -0.77 0.00 2.07 -1.99 -1.12 116.25 115.75 2hfv h VAL 33 Ca 0.03 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2hfv h VAL 33 Cb 0.65 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2hfv h VAL 33 CO 0.04 0.28 0.42 0.25 0.02 0.00 0.00 177.57 178.58 2hfv h LEU 34 N 0.11 0.97 -0.56 2.57 5.85 -1.99 0.86 115.31 123.11 2hfv h LEU 34 Ca 0.06 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2hfv h LEU 34 Cb 0.42 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2hfv h LEU 34 CO 0.01 0.79 0.36 0.25 -0.34 0.00 0.00 178.44 179.51 2hfv h LEU 35 N 1.07 0.61 -0.57 2.25 6.46 -1.19 -0.52 115.31 123.42 2hfv h LEU 35 Ca 0.27 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2hfv h LEU 35 Cb 0.03 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2hfv h LEU 35 CO -0.04 0.43 0.08 0.28 -0.62 0.00 0.00 178.44 178.57 2hfv h SER 36 N 0.73 0.91 0.17 1.25 0.02 -0.48 0.98 113.55 117.12 2hfv h SER 36 Ca 0.21 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2hfv h SER 36 Cb -0.04 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2hfv h SER 36 CO -0.07 0.95 -0.08 0.00 -1.14 0.00 0.00 176.83 176.49 2hfv h ALA 37 N 1.00 -0.23 -0.73 3.77 0.00 -0.49 -0.61 119.26 121.97 2hfv h ALA 37 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2hfv h ALA 37 Cb 0.43 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2hfv h ALA 37 CO 0.01 -0.58 0.25 0.28 0.00 0.00 0.00 179.25 179.21 2hfv h VAL 38 N -0.33 1.26 -0.67 0.00 2.07 -1.04 -2.29 116.25 115.25 2hfv h VAL 38 Ca -0.02 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2hfv h VAL 38 Cb 0.26 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2hfv h VAL 38 CO 0.04 0.35 0.32 1.23 0.02 0.00 0.00 177.57 179.53 2hfv h GLY 39 N 1.08 1.03 1.63 2.17 0.00 -0.66 -1.62 103.07 106.69 2hfv h GLY 39 Ca 0.24 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2hfv h GLY 39 CO -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 176.54 176.91 2hfv h ALA 40 N 1.15 1.31 -0.08 3.60 0.00 -0.93 0.49 119.26 124.80 2hfv h ALA 40 Ca 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hfv h ALA 40 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 40 CO -0.03 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.65 2hfv h LEU 41 N 0.43 0.10 -0.24 0.00 3.38 -0.81 0.26 115.31 118.44 2hfv h LEU 41 Ca 0.08 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2hfv h LEU 41 Cb 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2hfv h LEU 41 CO 0.02 0.20 -0.38 -0.07 0.09 0.00 0.00 178.44 178.30 2hfv h LEU 42 N -0.00 0.74 -0.88 1.67 3.38 -1.07 -2.37 115.31 116.77 2hfv h LEU 42 Ca 0.03 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 2hfv h LEU 42 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2hfv h LEU 42 CO -0.00 1.13 -0.21 -0.78 0.09 0.00 0.00 178.44 178.66 2hfv h ASP 43 N 0.39 0.58 0.60 -0.43 3.58 -0.89 -1.71 116.42 118.54 2hfv h ASP 43 Ca 0.02 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2hfv h ASP 43 Cb 0.97 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 2hfv h ASP 43 CO 0.09 0.80 -0.11 1.23 -2.88 0.00 0.00 179.24 178.37 2hfv h GLY 44 N 1.00 0.00 -1.56 -0.78 0.00 -0.33 -1.04 103.07 100.34 2hfv h GLY 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2hfv h GLY 44 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 2hfv n ALA 45 N -2.20 2.58 -0.89 3.60 0.00 -0.90 -4.87 120.51 117.82 2hfv n ALA 45 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2hfv n ALA 45 Cb 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2hfv n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hfv n ASP 46 N 0.56 -2.95 0.20 0.00 2.03 -0.40 -4.80 116.55 111.20 2hfv n ASP 46 Ca 0.13 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.52 2hfv n ASP 46 Cb 0.40 -1.91 0.35 0.00 -0.72 0.00 0.00 41.12 39.23 2hfv n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2hfv h ILE 47 N 0.00 0.62 -0.15 5.18 2.04 -1.50 -3.49 117.51 120.21 2hfv h ILE 47 Ca 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2hfv h ILE 47 Cb 0.36 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2hfv h ILE 47 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.04 2hfv n GLY 48 N 0.41 0.01 3.63 5.37 0.00 -1.07 -4.56 105.19 108.99 2hfv n GLY 48 Ca 0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 2hfv n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfv s HIS 49 N 0.00 -0.26 -0.74 1.61 -3.43 -1.26 -3.29 115.29 107.92 2hfv s HIS 49 Ca 0.00 0.57 -0.06 0.00 -0.80 0.00 0.00 55.06 54.77 2hfv s HIS 49 Cb 0.00 0.44 0.19 0.00 -1.43 0.00 0.00 32.58 31.78 2hfv s HIS 49 CO 0.00 -0.16 0.61 -1.17 -2.00 0.00 0.00 174.74 172.02 2hfv s LEU 50 N -0.27 5.73 -0.28 5.38 2.96 -0.20 -4.87 118.68 127.13 2hfv s LEU 50 Ca 0.04 -2.99 0.11 0.00 -0.22 0.00 0.00 54.13 51.08 2hfv s LEU 50 Cb -0.04 -1.97 0.59 0.00 0.50 0.00 0.00 46.19 45.28 2hfv s LEU 50 CO -0.08 -0.39 1.58 1.33 -1.32 0.00 0.00 176.35 177.47 2hfv n VAL 51 N 3.38 2.63 -3.65 1.68 0.24 -1.25 -2.25 118.33 119.12 2hfv n VAL 51 Ca 0.12 -2.12 -0.36 0.00 -2.04 0.00 0.00 64.34 59.95 2hfv n VAL 51 Cb 0.40 -0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.38 2hfv n VAL 51 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2hfv s LEU 52 N -3.06 5.52 0.00 1.34 2.96 -1.26 -4.69 118.68 119.49 2hfv s LEU 52 Ca 0.48 -3.75 0.00 0.00 -0.22 0.00 0.00 54.13 50.64 2hfv s LEU 52 Cb 0.40 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 45.19 2hfv s LEU 52 CO 0.07 -0.17 0.00 0.47 -1.32 0.00 0.00 176.35 175.40 2hfv n ASP 53 N 2.29 0.19 -4.62 3.68 9.92 -1.26 -5.03 116.55 121.73 2hfv n ASP 53 Ca 0.22 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.05 2hfv n ASP 53 Cb 0.37 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.82 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2hfv s GLN 54 N 3.01 3.48 0.48 -1.24 0.74 -1.26 -4.98 119.66 119.90 2hfv s GLN 54 Ca 0.00 1.86 0.07 0.00 0.05 0.00 0.00 55.36 57.34 2hfv s GLN 54 Cb 0.00 -4.22 0.04 0.00 1.10 0.00 0.00 33.01 29.93 2hfv s GLN 54 CO 0.00 -1.69 0.67 -0.80 -0.55 0.00 0.00 175.29 172.92 2hfv s ASN 55 N 6.20 5.43 0.14 6.67 0.01 -1.26 -4.84 114.94 127.29 2hfv s ASN 55 Ca 0.86 -0.47 -0.15 0.00 -0.71 0.00 0.00 52.86 52.39 2hfv s ASN 55 Cb -0.29 -0.43 0.03 0.00 0.41 0.00 0.00 41.25 40.96 2hfv s ASN 55 CO 0.34 -0.99 0.40 -0.32 -1.51 0.00 0.00 177.10 175.02 2hfv s MET 56 N -4.51 1.12 0.00 -0.60 1.75 -1.26 -5.12 119.30 110.68 2hfv s MET 56 Ca 0.57 -0.80 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 2hfv s MET 56 Cb -0.09 0.46 0.00 0.00 2.84 0.00 0.00 34.83 38.04 2hfv s MET 56 CO 0.36 -0.44 0.35 0.43 -0.65 0.00 0.00 175.02 175.06 2hfv n SER 57 N -0.24 0.00 0.00 1.11 7.64 -1.26 -4.92 113.62 115.95 2hfv n SER 57 Ca -0.14 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2hfv n SER 57 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2hfv n SER 57 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2hfv n ILE 58 N -0.39 0.00 -3.14 0.44 -0.00 -1.26 -5.08 119.36 109.93 2hfv n ILE 58 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.69 2hfv n ILE 58 Cb 0.00 -0.76 0.02 0.00 -0.00 0.00 0.00 39.64 38.91 2hfv n ILE 58 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2hfv n LEU 59 N -2.62 -6.33 0.00 1.39 0.00 -1.26 -3.21 117.00 104.96 2hfv n LEU 59 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 56.01 55.70 2hfv n LEU 59 Cb 0.13 -3.26 0.00 0.00 0.00 0.00 0.00 43.42 40.29 2hfv n LEU 59 CO 0.00 -0.67 0.00 -0.62 0.00 0.00 0.00 177.39 176.10 2hfv n GLU 60 N -2.31 0.00 -0.91 1.96 -0.58 -1.26 -4.08 120.64 113.47 2hfv n GLU 60 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2hfv n GLU 60 Cb 0.54 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hfv n GLY 61 N 0.00 0.13 2.08 0.62 0.00 -1.20 -5.05 105.19 101.77 2hfv n GLY 61 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2hfv n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 62 N -0.59 -1.50 -3.79 1.61 7.64 -1.26 -5.15 113.62 110.58 2hfv n SER 62 Ca 0.00 0.52 -0.13 0.00 1.01 0.00 0.00 58.87 60.27 2hfv n SER 62 Cb 0.29 1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 64.94 2hfv n SER 62 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2hfv s LEU 63 N -6.48 1.03 -0.06 -3.43 2.96 -1.26 -5.14 118.68 106.29 2hfv s LEU 63 Ca 0.00 0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.96 2hfv s LEU 63 Cb 0.00 1.00 -0.04 0.00 0.50 0.00 0.00 46.19 47.64 2hfv s LEU 63 CO 0.00 -0.26 0.59 -0.83 -1.32 0.00 0.00 176.35 174.53 2hfv s GLY 64 N -0.63 2.55 0.17 7.98 0.00 -1.26 -4.97 107.32 111.17 2hfv s GLY 64 Ca -0.07 -0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.54 2hfv s GLY 64 CO 0.02 0.89 1.65 -2.08 0.00 0.00 0.00 173.10 173.58 2hfv h VAL 65 N 4.50 1.26 -3.44 1.40 2.07 -1.99 -3.37 116.25 116.68 2hfv h VAL 65 Ca -0.43 -1.06 -0.71 0.00 0.82 0.00 0.00 66.70 65.32 2hfv h VAL 65 Cb 1.19 0.78 -0.29 0.00 -1.52 0.00 0.00 31.29 31.45 2hfv h VAL 65 CO 0.73 0.39 -0.47 -0.63 0.02 0.00 0.00 177.57 177.60 2hfv s ILE 66 N -5.13 4.08 0.09 4.57 -1.09 -1.26 -5.07 121.20 117.40 2hfv s ILE 66 Ca -0.12 -1.53 -0.31 0.00 -2.23 0.00 0.00 60.65 56.46 2hfv s ILE 66 Cb 0.13 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 2hfv s ILE 66 CO 0.84 -0.55 1.77 -2.16 -1.23 0.00 0.00 174.94 173.61 2hfv s PRO 67 N 1.38 4.16 0.31 2.79 0.04 -1.26 -4.94 135.00 137.48 2hfv s PRO 67 Ca 0.04 2.49 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2hfv s PRO 67 Cb -0.23 -3.64 -0.11 0.00 0.04 0.00 0.00 34.50 30.55 2hfv s PRO 67 CO 0.01 -0.81 1.51 0.50 0.04 0.00 0.00 177.00 178.25 2hfv s ARG 68 N 2.85 4.17 0.22 4.56 3.52 -1.24 -4.71 118.95 128.31 2hfv s ARG 68 Ca 0.79 2.49 0.10 0.00 -0.13 0.00 0.00 55.73 58.98 2hfv s ARG 68 Cb -0.43 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2hfv s ARG 68 CO 0.35 -0.52 -0.20 -0.98 -0.81 0.00 0.00 175.30 173.14 2hfv s ARG 69 N -1.04 1.50 -0.25 5.12 1.70 -1.26 -2.83 118.95 121.88 2hfv s ARG 69 Ca 0.58 -1.60 -0.04 0.00 -0.47 0.00 0.00 55.73 54.20 2hfv s ARG 69 Cb -0.46 -1.58 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 2hfv s ARG 69 CO 0.52 0.31 -0.02 0.08 -1.08 0.00 0.00 175.30 175.11 2hfv s VAL 70 N -2.29 3.29 -0.19 4.99 1.01 0.11 -3.77 120.40 123.55 2hfv s VAL 70 Ca 0.23 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2hfv s VAL 70 Cb -0.05 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2hfv s VAL 70 CO 0.11 0.22 0.10 -0.76 0.00 0.00 0.00 175.10 174.76 2hfv s LEU 71 N 1.41 3.99 0.00 3.92 1.02 -0.96 -0.55 118.68 127.51 2hfv s LEU 71 Ca 0.02 0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.33 2hfv s LEU 71 Cb -0.16 -2.02 0.02 0.00 0.02 0.00 0.00 46.19 44.05 2hfv s LEU 71 CO -0.02 0.17 0.17 1.33 0.02 0.00 0.00 176.35 178.01 2hfv n VAL 72 N 3.58 0.00 -3.76 -1.59 0.24 0.62 -1.03 118.33 116.39 2hfv n VAL 72 Ca -0.16 -0.82 -0.35 0.00 -2.04 0.00 0.00 64.34 60.97 2hfv n VAL 72 Cb 0.52 -0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 32.47 2hfv n VAL 72 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2hfv s HIS 73 N -0.97 3.59 0.22 6.34 3.76 -1.26 0.50 115.29 127.48 2hfv s HIS 73 Ca 0.13 0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 55.44 2hfv s HIS 73 Cb -0.01 -2.00 0.21 0.00 1.11 0.00 0.00 32.58 31.89 2hfv s HIS 73 CO 0.08 0.63 1.55 1.05 -0.85 0.00 0.00 174.74 177.21 2hfv h GLU 74 N 4.16 -0.01 0.00 1.40 4.11 -1.84 -0.94 114.58 121.46 2hfv h GLU 74 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2hfv h GLU 74 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hfv h GLU 74 CO 0.65 -0.00 -0.08 0.22 0.07 0.00 0.00 179.01 179.87 2hfv h ASP 75 N -0.01 0.00 -0.03 3.06 3.58 -1.89 -3.04 116.42 118.09 2hfv h ASP 75 Ca 0.33 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2hfv h ASP 75 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2hfv h ASP 75 CO -0.98 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 175.85 2hfv n ASP 76 N -2.92 0.52 -0.22 2.28 9.92 -0.37 -3.74 116.55 122.01 2hfv n ASP 76 Ca 0.04 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 52.95 2hfv n ASP 76 Cb 0.51 -0.02 0.12 0.00 -0.64 0.00 0.00 41.12 41.09 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hfv h LEU 77 N 0.74 0.39 -0.88 0.64 -0.00 -1.40 -0.48 115.31 114.32 2hfv h LEU 77 Ca 0.00 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 2hfv h LEU 77 Cb 0.16 -0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.76 2hfv h LEU 77 CO 0.00 0.24 0.56 0.00 -0.00 0.00 0.00 178.44 179.24 2hfv h ALA 78 N 1.40 1.19 -0.14 1.53 0.00 -1.84 0.87 119.26 122.27 2hfv h ALA 78 Ca 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2hfv h ALA 78 Cb 0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hfv h ALA 78 CO -0.26 0.37 -0.10 0.78 0.00 0.00 0.00 179.25 180.04 2hfv h GLY 79 N 1.06 0.35 1.05 0.00 0.00 -1.58 -2.94 103.07 101.01 2hfv h GLY 79 Ca 0.37 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2hfv h GLY 79 CO -0.14 0.31 0.31 0.00 0.00 0.00 0.00 176.54 177.01 2hfv h ALA 80 N 0.63 1.02 -0.18 3.60 0.00 -0.82 -2.00 119.26 121.51 2hfv h ALA 80 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2hfv h ALA 80 Cb 0.60 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2hfv h ALA 80 CO 0.03 0.65 0.08 0.00 0.00 0.00 0.00 179.25 180.01 2hfv h ARG 81 N 1.14 0.17 -0.31 0.00 3.08 -0.83 -1.38 114.38 116.25 2hfv h ARG 81 Ca 0.26 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 2hfv h ARG 81 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2hfv h ARG 81 CO -0.02 0.11 0.08 -0.09 -1.07 0.00 0.00 179.97 178.98 2hfv h ARG 82 N 0.18 0.50 0.23 0.04 2.43 -1.39 -2.46 114.38 113.90 2hfv h ARG 82 Ca 0.07 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2hfv h ARG 82 Cb 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2hfv h ARG 82 CO -0.06 0.57 -0.31 1.25 -1.51 0.00 0.00 179.97 179.91 2hfv h LEU 83 N 0.34 -0.86 -0.94 3.80 5.85 -1.08 0.57 115.31 122.99 2hfv h LEU 83 Ca 0.10 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2hfv h LEU 83 Cb 0.29 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2hfv h LEU 83 CO 0.00 -0.42 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.18 2hfv h LEU 84 N -0.60 0.21 -0.12 2.25 3.38 -1.32 -2.25 115.31 116.87 2hfv h LEU 84 Ca 0.00 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2hfv h LEU 84 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2hfv h LEU 84 CO -0.11 0.62 -0.34 0.74 0.09 0.00 0.00 178.44 179.44 2hfv h THR 85 N 0.17 1.38 0.00 0.22 2.02 -1.11 -0.53 112.91 115.05 2hfv h THR 85 Ca 0.01 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 2hfv h THR 85 Cb 0.84 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2hfv h THR 85 CO 0.07 0.49 -0.27 -0.78 0.37 0.00 0.00 175.52 175.39 2hfv h ASP 86 N 0.02 0.00 0.96 4.18 3.58 -0.84 -1.15 116.42 123.17 2hfv h ASP 86 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2hfv h ASP 86 Cb 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2hfv h ASP 86 CO 0.07 0.27 -0.09 0.00 -2.88 0.00 0.00 179.24 176.62 2hfv n ALA 87 N -2.29 2.52 -2.17 -0.78 0.00 -0.85 -4.93 120.51 112.01 2hfv n ALA 87 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 2hfv n ALA 87 Cb 0.41 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 2hfv n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hfv n GLY 88 N 1.48 0.08 0.20 0.00 0.00 -0.43 -4.92 105.19 101.59 2hfv n GLY 88 Ca 0.07 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2hfv n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hfv n LEU 89 N -1.10 2.54 -4.57 0.99 4.77 -0.25 -4.92 117.00 114.46 2hfv n LEU 89 Ca -0.08 -2.83 -0.39 0.00 -0.03 0.00 0.00 56.01 52.67 2hfv n LEU 89 Cb 0.57 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2hfv n LEU 89 CO 0.11 0.67 1.65 0.00 -1.33 0.00 0.00 177.39 178.48 2hfv s ALA 90 N -2.45 2.72 0.00 -1.18 0.00 -1.13 -4.22 121.76 115.50 2hfv s ALA 90 Ca 0.27 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.83 2hfv s ALA 90 Cb 0.23 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2hfv s ALA 90 CO 0.04 -3.80 0.00 1.58 0.00 0.00 0.00 175.76 173.58 2hfv n HIS 91 N 9.83 -0.01 1.51 0.00 -0.00 -1.26 -4.85 115.22 120.44 2hfv n HIS 91 Ca 0.41 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.27 2hfv n HIS 91 Cb 0.48 0.02 0.56 0.00 -0.00 0.00 0.00 29.99 31.05 2hfv n HIS 91 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2hfv n GLU 92 N -1.54 1.36 -1.95 1.57 -0.58 -1.26 -4.87 120.64 113.37 2hfv n GLU 92 Ca 0.00 -0.70 -0.42 0.00 -0.42 0.00 0.00 57.16 55.61 2hfv n GLU 92 Cb 0.00 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.36 2hfv n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2hfv s LEU 93 N -2.13 4.20 -0.12 -4.62 1.02 -1.26 -3.53 118.68 112.24 2hfv s LEU 93 Ca 0.36 2.17 0.16 0.00 0.02 0.00 0.00 54.13 56.84 2hfv s LEU 93 Cb 0.21 -3.53 0.34 0.00 0.02 0.00 0.00 46.19 43.22 2hfv s LEU 93 CO 0.38 -1.07 1.23 -1.14 0.02 0.00 0.00 176.35 175.77 2hfv n ARG 94 N 7.40 2.09 0.22 1.70 0.00 -0.34 -4.47 116.66 123.26 2hfv n ARG 94 Ca 0.19 -2.52 0.11 0.00 -0.00 0.00 0.00 57.85 55.63 2hfv n ARG 94 Cb 0.43 -1.54 0.42 0.00 0.00 0.00 0.00 32.46 31.76 2hfv n ARG 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2hfv h SER 95 N 0.71 0.00 0.00 6.15 0.02 -1.82 -3.47 113.55 115.14 2hfv h SER 95 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hfv h SER 95 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2hfv h SER 95 CO 0.07 0.19 0.00 -0.67 -1.14 0.00 0.00 176.83 175.28 2hfv n ASP 96 N -3.28 0.00 0.00 3.07 2.03 -1.26 -5.17 116.55 111.94 2hfv n ASP 96 Ca 0.01 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.43 2hfv n ASP 96 Cb 0.45 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.51 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38