#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 -0.51 2.54 -5.12 0.00 -1.26 -5.07 105.19 95.77 2hfv n GLY 2 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 2hfv n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hfv s SER 3 N 0.00 3.47 -1.06 1.61 0.15 -1.26 -5.06 113.70 111.55 2hfv s SER 3 Ca 0.00 -1.52 -0.16 0.00 0.70 0.00 0.00 55.95 54.96 2hfv s SER 3 Cb 0.00 -0.41 0.15 0.00 -1.71 0.00 0.00 66.02 64.05 2hfv s SER 3 CO 0.00 -0.41 1.26 -0.55 1.20 0.00 0.00 173.24 174.74 2hfv s SER 4 N 1.82 6.84 -0.50 5.45 0.15 -1.26 -4.85 113.70 121.35 2hfv s SER 4 Ca 0.11 -2.50 0.07 0.00 0.70 0.00 0.00 55.95 54.33 2hfv s SER 4 Cb -0.18 -2.40 0.24 0.00 -1.71 0.00 0.00 66.02 61.98 2hfv s SER 4 CO -0.28 -0.91 0.60 0.00 1.20 0.00 0.00 173.24 173.86 2hfv n HIS 5 N 6.08 1.31 -3.79 3.44 -0.00 -1.26 -5.01 115.22 115.98 2hfv n HIS 5 Ca 0.30 -3.81 -0.29 0.00 -0.00 0.00 0.00 57.72 53.92 2hfv n HIS 5 Cb 0.46 -0.41 -0.13 0.00 -0.00 0.00 0.00 29.99 29.91 2hfv n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2hfv s HIS 6 N -1.65 2.54 -0.25 -1.40 -0.00 -1.26 -4.88 115.29 108.39 2hfv s HIS 6 Ca 0.37 -2.80 0.13 0.00 -0.00 0.00 0.00 55.06 52.76 2hfv s HIS 6 Cb 0.15 -2.23 0.46 0.00 -0.00 0.00 0.00 32.58 30.96 2hfv s HIS 6 CO -0.08 -0.73 1.17 -2.39 -0.00 0.00 0.00 174.74 172.72 2hfv n HIS 7 N 3.09 1.82 -1.93 0.38 -0.00 -1.26 -4.96 115.22 112.36 2hfv n HIS 7 Ca 0.11 -1.99 -0.33 0.00 -0.00 0.00 0.00 57.72 55.52 2hfv n HIS 7 Cb 0.35 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 29.99 2hfv n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2hfv n HIS 8 N -0.67 2.75 -4.01 -1.40 -0.00 -1.26 -4.85 115.22 105.78 2hfv n HIS 8 Ca 0.29 -1.67 -0.31 0.00 -0.00 0.00 0.00 57.72 56.03 2hfv n HIS 8 Cb 0.90 -2.45 -0.15 0.00 -0.00 0.00 0.00 29.99 28.29 2hfv n HIS 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hfv s HIS 9 N 9.19 3.03 -0.37 1.57 2.46 -1.26 -4.30 115.29 125.61 2hfv s HIS 9 Ca 0.65 -2.25 0.01 0.00 0.47 0.00 0.00 55.06 53.93 2hfv s HIS 9 Cb 0.03 -1.99 0.12 0.00 -0.13 0.00 0.00 32.58 30.60 2hfv s HIS 9 CO 0.13 -0.86 0.16 -1.58 -2.47 0.00 0.00 174.74 170.11 2hfv s HIS 10 N 1.17 1.96 -0.18 3.88 5.65 0.27 -5.04 115.29 123.00 2hfv s HIS 10 Ca -0.04 -2.12 -0.01 0.00 0.25 0.00 0.00 55.06 53.14 2hfv s HIS 10 Cb -0.19 -1.86 0.05 0.00 -1.18 0.00 0.00 32.58 29.39 2hfv s HIS 10 CO -0.07 -0.84 -0.04 0.45 -0.65 0.00 0.00 174.74 173.59 2hfv s SER 11 N 1.01 2.95 -0.23 9.88 0.15 -1.26 -4.13 113.70 122.07 2hfv s SER 11 Ca 0.13 -0.74 -0.04 0.00 0.70 0.00 0.00 55.95 56.01 2hfv s SER 11 Cb -0.21 -0.90 0.12 0.00 -1.71 0.00 0.00 66.02 63.33 2hfv s SER 11 CO -0.12 -0.21 0.38 -0.55 1.20 0.00 0.00 173.24 173.94 2hfv s SER 12 N 1.64 0.15 0.00 5.45 0.15 -1.26 -4.99 113.70 114.83 2hfv s SER 12 Ca -0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2hfv s SER 12 Cb -0.16 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2hfv s SER 12 CO -0.07 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2hfv n GLY 13 N 5.37 0.41 3.56 9.45 0.00 -1.26 -4.96 105.19 117.75 2hfv n GLY 13 Ca -0.05 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2hfv n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hfv s ARG 14 N -2.78 3.18 -0.82 1.61 3.52 -1.26 -4.93 118.95 117.46 2hfv s ARG 14 Ca 0.00 -0.46 -0.23 0.00 -0.13 0.00 0.00 55.73 54.91 2hfv s ARG 14 Cb 0.00 -4.77 0.07 0.00 -1.56 0.00 0.00 34.95 28.69 2hfv s ARG 14 CO 0.00 -2.42 1.18 -2.00 -0.81 0.00 0.00 175.30 171.25 2hfv s GLU 15 N 5.80 3.35 0.00 5.12 2.12 -1.26 -4.87 118.70 128.96 2hfv s GLU 15 Ca 0.48 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2hfv s GLU 15 Cb -0.05 -4.64 0.00 0.00 0.26 0.00 0.00 34.13 29.69 2hfv s GLU 15 CO 0.04 -1.97 0.00 0.27 -0.54 0.00 0.00 175.26 173.07 2hfv n ASN 16 N 8.06 0.00 -0.31 -1.70 0.23 -1.26 -4.91 115.26 115.37 2hfv n ASN 16 Ca 0.13 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.25 2hfv n ASN 16 Cb 0.48 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.30 2hfv n ASN 16 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2hfv n LEU 17 N 0.00 1.88 -4.88 -4.53 4.77 -1.26 -5.06 117.00 107.92 2hfv n LEU 17 Ca 0.00 -2.75 -0.32 0.00 -0.03 0.00 0.00 56.01 52.91 2hfv n LEU 17 Cb 0.00 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2hfv n LEU 17 CO 0.00 0.72 0.18 -0.31 -1.33 0.00 0.00 177.39 176.65 2hfv s TYR 18 N -2.22 3.45 -0.23 -1.77 1.51 -1.26 -5.08 117.35 111.75 2hfv s TYR 18 Ca 0.27 0.83 -0.33 0.00 -1.01 0.00 0.00 57.07 56.82 2hfv s TYR 18 Cb 0.24 -2.22 0.16 0.00 -0.11 0.00 0.00 41.96 40.03 2hfv s TYR 18 CO -0.00 0.32 1.26 -0.59 -1.11 0.00 0.00 175.55 175.43 2hfv s PHE 19 N -1.75 -0.11 0.10 2.71 -0.71 -1.26 -3.67 117.98 113.29 2hfv s PHE 19 Ca 0.45 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 56.46 2hfv s PHE 19 Cb -0.12 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 2hfv s PHE 19 CO 0.21 -0.14 0.00 0.94 -1.34 0.00 0.00 175.22 174.90 2hfv n GLN 20 N 0.18 0.00 0.00 1.99 7.27 -1.26 -4.95 117.38 120.61 2hfv n GLN 20 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2hfv n GLN 20 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 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 -1.36 0.89 0.54 1.69 0.00 -1.26 -5.09 105.19 100.61 2hfv n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hfv n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hfv n HIS 22 N 0.00 -0.06 -3.70 1.61 8.25 -1.26 -4.96 115.22 115.11 2hfv n HIS 22 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2hfv n HIS 22 Cb 0.00 0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 2hfv n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hfv s LEU 23 N -2.82 -0.02 -0.10 2.41 1.43 -1.26 -4.20 118.68 114.13 2hfv s LEU 23 Ca 0.00 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2hfv s LEU 23 Cb 0.00 1.41 -0.02 0.00 0.03 0.00 0.00 46.19 47.61 2hfv s LEU 23 CO 0.00 -0.18 -0.13 -0.13 0.23 0.00 0.00 176.35 176.14 2hfv s ARG 24 N 1.14 3.10 -0.31 1.70 1.81 0.11 -4.88 118.95 121.63 2hfv s ARG 24 Ca -0.07 -0.68 -0.28 0.00 -1.72 0.00 0.00 55.73 52.98 2hfv s ARG 24 Cb -0.07 -2.56 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 2hfv s ARG 24 CO -0.10 0.36 1.98 -2.00 -0.68 0.00 0.00 175.30 174.86 2hfv s GLU 25 N -0.02 3.17 -0.16 3.54 2.12 -1.26 -1.94 118.70 124.15 2hfv s GLU 25 Ca -0.03 1.61 -0.15 0.00 0.36 0.00 0.00 54.97 56.76 2hfv s GLU 25 Cb -0.14 -4.29 -0.12 0.00 0.26 0.00 0.00 34.13 29.84 2hfv s GLU 25 CO 0.04 -2.05 0.13 1.25 -0.54 0.00 0.00 175.26 174.09 2hfv h LEU 26 N 14.58 0.00 -7.66 2.70 5.85 -1.21 -2.30 115.31 127.27 2hfv h LEU 26 Ca -0.36 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 57.94 2hfv h LEU 26 Cb 1.20 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.07 2hfv h LEU 26 CO 1.02 1.03 -0.30 -1.48 -0.34 0.00 0.00 178.44 178.37 2hfv s LEU 27 N -8.14 1.12 -0.08 2.25 2.34 -1.19 0.05 118.68 115.05 2hfv s LEU 27 Ca -0.19 -0.40 -0.03 0.00 0.06 0.00 0.00 54.13 53.58 2hfv s LEU 27 Cb 0.02 1.20 0.04 0.00 -0.56 0.00 0.00 46.19 46.90 2hfv s LEU 27 CO 0.40 -0.66 0.14 -0.60 -1.06 0.00 0.00 176.35 174.56 2hfv s ARG 28 N -3.11 0.01 0.11 1.48 3.52 -1.25 -0.58 118.95 119.13 2hfv s ARG 28 Ca -0.01 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 56.01 2hfv s ARG 28 Cb 0.01 -0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.08 2hfv s ARG 28 CO -0.07 -0.31 0.26 -0.08 -0.81 0.00 0.00 175.30 174.29 2hfv s THR 29 N 2.27 0.12 -1.22 4.11 -1.32 -0.97 -4.98 115.64 113.65 2hfv s THR 29 Ca 0.04 -1.03 0.14 0.00 -1.21 0.00 0.00 61.69 59.62 2hfv s THR 29 Cb -0.12 -1.34 0.42 0.00 -1.51 0.00 0.00 72.50 69.94 2hfv s THR 29 CO -0.05 -0.52 1.35 -0.46 -2.21 0.00 0.00 174.62 172.72 2hfv n ASN 30 N -0.12 3.28 -4.48 8.08 6.94 -1.26 -2.06 115.26 125.63 2hfv n ASN 30 Ca -0.15 -2.03 -0.43 0.00 -0.02 0.00 0.00 54.58 51.95 2hfv n ASN 30 Cb 0.63 -0.32 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.02 6.27 0.48 0.53 2.15 -1.26 -4.92 116.67 118.90 2hfv s ASP 31 Ca 0.32 -0.61 0.21 0.00 0.43 0.00 0.00 52.55 52.89 2hfv s ASP 31 Cb 0.17 -2.31 1.19 0.00 -0.30 0.00 0.00 42.92 41.67 2hfv s ASP 31 CO 0.21 -0.87 2.01 0.00 -0.17 0.00 0.00 175.17 176.34 2hfv h ALA 32 N 8.97 1.42 0.06 3.66 0.00 -1.98 -1.72 119.26 129.67 2hfv h ALA 32 Ca -0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hfv h ALA 32 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hfv h ALA 32 CO 0.94 0.22 -0.03 0.28 0.00 0.00 0.00 179.25 180.66 2hfv h VAL 33 N 0.00 1.16 -0.64 0.00 2.07 -1.99 -0.29 116.25 116.55 2hfv h VAL 33 Ca -0.00 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2hfv h VAL 33 Cb 0.39 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2hfv h VAL 33 CO 0.02 0.19 0.15 0.25 0.02 0.00 0.00 177.57 178.21 2hfv h LEU 34 N -0.42 0.95 -1.60 2.57 5.85 -1.94 -1.95 115.31 118.77 2hfv h LEU 34 Ca -0.01 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2hfv h LEU 34 Cb 0.37 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2hfv h LEU 34 CO 0.01 0.92 0.11 -0.07 -0.34 0.00 0.00 178.44 179.07 2hfv h LEU 35 N 0.96 0.33 -0.42 2.25 3.38 -1.21 0.04 115.31 120.65 2hfv h LEU 35 Ca 0.20 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2hfv h LEU 35 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2hfv h LEU 35 CO 0.00 0.30 -0.42 0.28 0.09 0.00 0.00 178.44 178.70 2hfv h SER 36 N 0.38 0.94 0.21 -0.43 0.02 -0.31 0.24 113.55 114.59 2hfv h SER 36 Ca 0.10 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2hfv h SER 36 Cb 0.07 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2hfv h SER 36 CO -0.01 1.22 -0.10 0.00 -1.14 0.00 0.00 176.83 176.80 2hfv h ALA 37 N 0.81 -0.28 -0.97 3.77 0.00 -0.74 0.20 119.26 122.05 2hfv h ALA 37 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hfv h ALA 37 Cb 1.00 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2hfv h ALA 37 CO 0.10 -0.53 0.63 0.28 0.00 0.00 0.00 179.25 179.73 2hfv h VAL 38 N -0.54 1.25 -0.06 0.00 2.07 -1.04 -1.84 116.25 116.08 2hfv h VAL 38 Ca -0.03 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2hfv h VAL 38 Cb 0.40 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2hfv h VAL 38 CO 0.05 0.24 0.03 1.23 0.02 0.00 0.00 177.57 179.15 2hfv h GLY 39 N 1.31 0.09 1.85 2.17 0.00 -0.40 -2.24 103.07 105.86 2hfv h GLY 39 Ca 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2hfv h GLY 39 CO -0.08 0.04 -0.10 0.00 0.00 0.00 0.00 176.54 176.41 2hfv h ALA 40 N 0.94 1.62 0.14 3.60 0.00 -0.71 0.37 119.26 125.21 2hfv h ALA 40 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hfv h ALA 40 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hfv h ALA 40 CO -0.00 0.28 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 2hfv h LEU 41 N 0.18 -0.16 -0.25 0.00 3.38 -1.02 0.96 115.31 118.40 2hfv h LEU 41 Ca 0.04 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 2hfv h LEU 41 Cb 0.29 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2hfv h LEU 41 CO 0.02 0.10 -0.62 -0.07 0.09 0.00 0.00 178.44 177.96 2hfv h LEU 42 N -0.42 0.98 -0.90 1.67 3.38 -1.12 -2.49 115.31 116.41 2hfv h LEU 42 Ca -0.02 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.30 2hfv h LEU 42 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2hfv h LEU 42 CO 0.03 1.36 -0.15 -0.78 0.09 0.00 0.00 178.44 178.99 2hfv h ASP 43 N 0.64 0.64 0.20 -0.43 3.58 -0.27 0.22 116.42 120.99 2hfv h ASP 43 Ca -0.01 -0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.07 2hfv h ASP 43 Cb 1.23 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2hfv h ASP 43 CO 0.13 0.80 -0.71 1.23 -2.88 0.00 0.00 179.24 177.82 2hfv h GLY 44 N 0.97 0.50 0.23 -0.78 0.00 -0.80 -3.07 103.07 100.12 2hfv h GLY 44 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2hfv h GLY 44 CO 0.04 0.61 -0.03 0.00 0.00 0.00 0.00 176.54 177.16 2hfv n ALA 45 N -2.52 2.67 -2.01 3.60 0.00 -0.94 -0.57 120.51 120.74 2hfv n ALA 45 Ca -0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 2hfv n ALA 45 Cb 0.69 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.40 -3.34 -4.70 0.00 2.03 -0.50 -4.68 116.55 104.96 2hfv n ASP 46 Ca 0.19 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 55.13 2hfv n ASP 46 Cb 0.27 -2.45 -0.04 0.00 -0.72 0.00 0.00 41.12 38.18 2hfv n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hfv s ILE 47 N -2.44 4.95 -0.29 5.18 1.01 0.65 -4.98 121.20 125.29 2hfv s ILE 47 Ca 0.00 1.68 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 2hfv s ILE 47 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2hfv s ILE 47 CO 0.00 0.16 1.84 -0.83 0.00 0.00 0.00 174.94 176.12 2hfv s GLY 48 N 0.95 0.83 -0.15 6.18 0.00 -1.26 -4.50 107.32 109.37 2hfv s GLY 48 Ca 0.42 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.51 2hfv s GLY 48 CO 0.19 3.32 -0.04 -2.38 0.00 0.00 0.00 173.10 174.19 2hfv s HIS 49 N 6.81 3.02 -0.52 1.90 -3.43 -1.26 -4.45 115.29 117.36 2hfv s HIS 49 Ca 0.82 -0.27 -0.17 0.00 -0.80 0.00 0.00 55.06 54.64 2hfv s HIS 49 Cb -0.25 -1.93 0.09 0.00 -1.43 0.00 0.00 32.58 29.06 2hfv s HIS 49 CO 0.34 -0.00 0.51 -1.17 -2.00 0.00 0.00 174.74 172.41 2hfv s LEU 50 N 0.25 5.68 0.22 5.38 2.96 0.84 -4.96 118.68 129.06 2hfv s LEU 50 Ca -0.03 -1.43 0.07 0.00 -0.22 0.00 0.00 54.13 52.51 2hfv s LEU 50 Cb -0.14 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 2hfv s LEU 50 CO 0.03 -0.82 -0.10 0.68 -1.32 0.00 0.00 176.35 174.82 2hfv s VAL 51 N 1.92 1.59 -0.09 1.68 -7.23 -1.26 -0.65 120.40 116.36 2hfv s VAL 51 Ca 0.06 -2.15 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 2hfv s VAL 51 Cb -0.25 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2hfv s VAL 51 CO 0.06 -0.49 0.12 -0.11 -0.31 0.00 0.00 175.10 174.37 2hfv n LEU 52 N -0.43 -4.56 -4.11 1.32 0.00 -1.25 -4.98 117.00 102.99 2hfv n LEU 52 Ca -0.07 1.48 -0.37 0.00 0.00 0.00 0.00 56.01 57.05 2hfv n LEU 52 Cb 0.62 -2.38 -0.10 0.00 0.00 0.00 0.00 43.42 41.56 2hfv n LEU 52 CO 0.36 -2.32 0.02 -0.62 0.00 0.00 0.00 177.39 174.83 2hfv s ASP 53 N -0.39 5.30 -0.06 1.96 2.15 -1.26 -5.01 116.67 119.36 2hfv s ASP 53 Ca -0.14 -2.71 -0.32 0.00 0.43 0.00 0.00 52.55 49.81 2hfv s ASP 53 Cb 0.01 -1.87 0.13 0.00 -0.30 0.00 0.00 42.92 40.89 2hfv s ASP 53 CO 0.38 -0.41 1.34 0.00 -0.17 0.00 0.00 175.17 176.31 2hfv s GLN 54 N 0.15 0.26 -0.17 4.34 -2.07 -1.26 -5.03 119.66 115.88 2hfv s GLN 54 Ca 0.15 -0.14 -0.11 0.00 -1.82 0.00 0.00 55.36 53.45 2hfv s GLN 54 Cb -0.20 0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.76 2hfv s GLN 54 CO -0.04 -0.12 0.18 1.21 -1.32 0.00 0.00 175.29 175.21 2hfv s ASN 55 N -2.90 6.33 -0.47 12.60 3.84 -1.26 -5.03 114.94 128.05 2hfv s ASN 55 Ca 0.14 0.38 -0.27 0.00 0.21 0.00 0.00 52.86 53.32 2hfv s ASN 55 Cb 0.05 -2.12 -0.03 0.00 -0.55 0.00 0.00 41.25 38.61 2hfv s ASN 55 CO -0.05 0.21 1.91 -0.04 -2.79 0.00 0.00 177.10 176.35 2hfv s MET 56 N 0.04 2.88 0.28 0.43 -1.94 -1.26 -4.95 119.30 114.78 2hfv s MET 56 Ca 0.12 1.10 0.09 0.00 -1.71 0.00 0.00 55.69 55.28 2hfv s MET 56 Cb -0.12 -4.33 -0.06 0.00 2.01 0.00 0.00 34.83 32.33 2hfv s MET 56 CO 0.01 -2.41 -0.11 0.45 -0.01 0.00 0.00 175.02 172.95 2hfv s SER 57 N 7.76 3.10 0.41 3.03 0.15 -1.26 -5.02 113.70 121.87 2hfv s SER 57 Ca 0.77 -1.13 0.26 0.00 0.70 0.00 0.00 55.95 56.56 2hfv s SER 57 Cb -0.18 -0.23 0.74 0.00 -1.71 0.00 0.00 66.02 64.65 2hfv s SER 57 CO 0.27 -0.20 1.74 -0.29 1.20 0.00 0.00 173.24 175.96 2hfv h ILE 58 N 2.27 0.00 -2.95 6.45 6.09 -2.07 -3.42 117.51 123.89 2hfv h ILE 58 Ca -0.40 -0.71 -0.55 0.00 -1.37 0.00 0.00 64.86 61.83 2hfv h ILE 58 Cb 1.24 1.69 -0.06 0.00 0.47 0.00 0.00 36.82 40.16 2hfv h ILE 58 CO 0.66 0.00 1.11 -0.22 -3.07 0.00 0.00 178.15 176.62 2hfv s LEU 59 N -5.73 3.47 0.12 2.19 1.98 -1.26 -4.89 118.68 114.55 2hfv s LEU 59 Ca 0.06 0.51 -0.21 0.00 -2.89 0.00 0.00 54.13 51.60 2hfv s LEU 59 Cb 0.08 -3.22 -0.06 0.00 0.66 0.00 0.00 46.19 43.65 2hfv s LEU 59 CO 0.60 -1.64 1.71 -0.08 -1.89 0.00 0.00 176.35 175.05 2hfv h GLU 60 N 11.18 -0.02 0.00 1.98 4.57 -2.02 -3.47 114.58 126.81 2hfv h GLU 60 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2hfv h GLU 60 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2hfv h GLU 60 CO 1.14 -0.01 0.00 0.41 -1.18 0.00 0.00 179.01 179.37 2hfv n GLY 61 N -1.18 1.54 0.04 1.92 0.00 -1.26 -5.05 105.19 101.19 2hfv n GLY 61 Ca -0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2hfv n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hfv n SER 62 N 0.00 3.36 -3.32 1.61 3.41 -1.26 -5.05 113.62 112.37 2hfv n SER 62 Ca 0.00 -0.04 0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2hfv n SER 62 Cb 0.00 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 2hfv n SER 62 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hfv s LEU 63 N -5.46 -0.40 0.00 1.04 2.96 -1.26 -5.18 118.68 110.39 2hfv s LEU 63 Ca -0.11 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2hfv s LEU 63 Cb 0.03 1.45 0.00 0.00 0.50 0.00 0.00 46.19 48.17 2hfv s LEU 63 CO 0.19 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2hfv n GLY 64 N 4.85 3.28 0.03 7.98 0.00 -1.26 -4.98 105.19 115.10 2hfv n GLY 64 Ca -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2hfv n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hfv n VAL 65 N -1.70 0.45 -2.16 1.61 0.31 -1.26 -5.09 118.33 110.50 2hfv n VAL 65 Ca 0.00 -0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2hfv n VAL 65 Cb 0.00 -0.38 -0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2hfv n VAL 65 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2hfv n ILE 66 N -2.20 -7.63 -2.01 2.52 2.08 -1.26 -4.88 119.36 105.98 2hfv n ILE 66 Ca -0.11 1.07 -0.38 0.00 0.56 0.00 0.00 62.75 63.89 2hfv n ILE 66 Cb 0.64 -5.57 -0.03 0.00 -0.75 0.00 0.00 39.64 33.93 2hfv n ILE 66 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2hfv s PRO 67 N -0.89 2.59 -0.00 0.38 0.02 -1.26 -4.86 135.00 130.98 2hfv s PRO 67 Ca -0.02 0.65 -0.30 0.00 0.02 0.00 0.00 61.00 61.35 2hfv s PRO 67 Cb 0.00 -4.40 -0.07 0.00 0.02 0.00 0.00 34.50 30.05 2hfv s PRO 67 CO 0.43 -2.77 1.61 0.50 -0.33 0.00 0.00 177.00 176.44 2hfv s ARG 68 N 7.12 4.20 0.14 5.54 3.52 -0.88 -4.67 118.95 133.93 2hfv s ARG 68 Ca 0.69 2.20 0.08 0.00 -0.13 0.00 0.00 55.73 58.57 2hfv s ARG 68 Cb -0.13 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 2hfv s ARG 68 CO 0.21 -0.76 -0.09 -0.98 -0.81 0.00 0.00 175.30 172.87 2hfv s ARG 69 N 3.26 2.13 -0.24 5.12 1.70 -1.26 -2.29 118.95 127.37 2hfv s ARG 69 Ca 0.72 -1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 54.82 2hfv s ARG 69 Cb -0.35 -2.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.78 2hfv s ARG 69 CO 0.30 0.47 -0.04 0.08 -1.08 0.00 0.00 175.30 175.04 2hfv s VAL 70 N -1.45 3.21 -0.10 4.99 1.01 0.26 -3.96 120.40 124.36 2hfv s VAL 70 Ca 0.23 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2hfv s VAL 70 Cb -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2hfv s VAL 70 CO 0.15 0.30 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 2hfv s LEU 71 N 1.42 3.45 0.22 3.92 1.02 0.17 -0.68 118.68 128.21 2hfv s LEU 71 Ca 0.03 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.27 2hfv s LEU 71 Cb -0.15 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 2hfv s LEU 71 CO -0.03 0.33 0.01 0.68 0.02 0.00 0.00 176.35 177.36 2hfv s VAL 72 N -0.59 0.89 0.61 -1.59 -7.23 -0.82 -0.11 120.40 111.56 2hfv s VAL 72 Ca 0.09 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.11 2hfv s VAL 72 Cb -0.12 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2hfv s VAL 72 CO 0.02 -0.30 1.04 -1.00 -0.31 0.00 0.00 175.10 174.55 2hfv s HIS 73 N -3.52 3.17 0.64 2.82 3.76 -1.26 0.10 115.29 121.00 2hfv s HIS 73 Ca 0.29 1.46 0.39 0.00 -0.15 0.00 0.00 55.06 57.05 2hfv s HIS 73 Cb 0.06 -2.91 2.22 0.00 1.11 0.00 0.00 32.58 33.07 2hfv s HIS 73 CO 0.08 -0.96 2.33 0.93 -0.85 0.00 0.00 174.74 176.28 2hfv h GLU 74 N 0.15 0.00 0.00 1.40 3.07 -1.93 -1.61 114.58 115.66 2hfv h GLU 74 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2hfv h GLU 74 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2hfv h GLU 74 CO 0.58 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.94 2hfv n ASP 75 N -3.35 0.00 -1.20 1.42 9.92 -1.24 -2.89 116.55 119.21 2hfv n ASP 75 Ca -0.03 0.93 0.05 0.00 -0.53 0.00 0.00 54.79 55.21 2hfv n ASP 75 Cb 0.08 -0.43 0.22 0.00 -0.64 0.00 0.00 41.12 40.35 2hfv n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2hfv n ASP 76 N -2.15 3.44 0.03 -2.24 8.00 -1.17 -4.28 116.55 118.17 2hfv n ASP 76 Ca 0.00 -2.43 -0.10 0.00 0.71 0.00 0.00 54.79 52.97 2hfv n ASP 76 Cb 0.00 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2hfv h LEU 77 N 2.33 -0.28 -0.97 0.64 7.12 -1.15 0.46 115.31 123.45 2hfv h LEU 77 Ca 0.00 0.05 -0.10 0.00 0.13 0.00 0.00 57.88 57.96 2hfv h LEU 77 Cb 1.20 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.45 2hfv h LEU 77 CO 0.23 -0.13 -0.39 0.00 -0.13 0.00 0.00 178.44 178.02 2hfv h ALA 78 N 0.89 1.13 -0.12 1.25 0.00 -1.76 -2.25 119.26 118.40 2hfv h ALA 78 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2hfv h ALA 78 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hfv h ALA 78 CO -0.14 0.57 -0.23 0.78 0.00 0.00 0.00 179.25 180.24 2hfv h GLY 79 N 1.18 0.39 1.06 0.00 0.00 -1.63 -1.57 103.07 102.50 2hfv h GLY 79 Ca 0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2hfv h GLY 79 CO 0.06 0.42 0.17 0.00 0.00 0.00 0.00 176.54 177.19 2hfv h ALA 80 N 0.53 0.93 -0.52 3.60 0.00 -0.08 0.80 119.26 124.51 2hfv h ALA 80 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2hfv h ALA 80 Cb 0.82 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2hfv h ALA 80 CO 0.05 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.28 2hfv h ARG 81 N 1.06 0.63 0.01 0.00 3.08 -1.42 0.10 114.38 117.84 2hfv h ARG 81 Ca 0.22 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2hfv h ARG 81 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2hfv h ARG 81 CO 0.00 0.42 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.17 2hfv h ARG 82 N 0.65 -0.11 0.21 0.04 9.65 -0.74 -0.38 114.38 123.71 2hfv h ARG 82 Ca 0.20 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2hfv h ARG 82 Cb -0.01 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2hfv h ARG 82 CO -0.08 -0.07 -0.16 1.25 2.80 0.00 0.00 179.97 183.71 2hfv h LEU 83 N -0.11 -0.41 -1.46 3.80 5.85 -0.55 0.34 115.31 122.77 2hfv h LEU 83 Ca 0.02 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2hfv h LEU 83 Cb 0.14 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2hfv h LEU 83 CO -0.06 -0.25 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.45 2hfv h LEU 84 N -0.38 0.00 0.00 2.25 3.38 -0.93 -0.87 115.31 118.76 2hfv h LEU 84 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2hfv h LEU 84 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2hfv h LEU 84 CO -0.01 0.27 -0.31 0.74 0.09 0.00 0.00 178.44 179.22 2hfv h THR 85 N 0.00 1.55 -0.11 0.22 2.02 -0.71 0.63 112.91 116.51 2hfv h THR 85 Ca -0.00 -2.28 -0.13 0.00 0.77 0.00 0.00 66.41 64.77 2hfv h THR 85 Cb 0.54 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 2hfv h THR 85 CO 0.04 0.53 -0.43 -0.78 0.37 0.00 0.00 175.52 175.24 2hfv h ASP 86 N -1.00 0.57 0.00 4.18 3.58 -0.30 -3.37 116.42 120.08 2hfv h ASP 86 Ca -0.09 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.74 2hfv h ASP 86 Cb 1.06 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2hfv h ASP 86 CO -0.05 1.09 0.00 0.00 -2.88 0.00 0.00 179.24 177.40 2hfv n ALA 87 N -2.53 2.01 -0.50 -0.78 0.00 -0.36 -4.87 120.51 113.48 2hfv n ALA 87 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2hfv n ALA 87 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.33 -0.09 0.76 0.00 0.00 -1.03 -4.96 105.19 99.53 2hfv n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hfv n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2hfv n LEU 89 N -1.86 -0.31 -2.84 0.99 -0.00 0.21 -4.99 117.00 108.19 2hfv n LEU 89 Ca 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 56.01 56.07 2hfv n LEU 89 Cb 0.00 0.50 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 2hfv n LEU 89 CO 0.00 -0.13 -0.12 0.00 -0.00 0.00 0.00 177.39 177.14 2hfv n ALA 90 N -2.37 -3.12 0.00 1.47 0.00 -0.52 -4.87 120.51 111.09 2hfv n ALA 90 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.39 2hfv n ALA 90 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.52 2hfv n ALA 90 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hfv n HIS 91 N 0.01 -1.08 0.74 0.00 -0.00 -1.26 -4.89 115.22 108.73 2hfv n HIS 91 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.86 2hfv n HIS 91 Cb 0.34 0.23 0.17 0.00 -0.00 0.00 0.00 29.99 30.72 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 -1.96 1.98 -2.29 1.57 -0.58 -1.26 -4.93 120.64 113.18 2hfv n GLU 92 Ca 0.00 -1.36 -0.42 0.00 -0.42 0.00 0.00 57.16 54.96 2hfv n GLU 92 Cb 0.00 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.04 4.41 0.05 -4.62 1.43 -1.26 -3.83 118.68 113.81 2hfv s LEU 93 Ca 0.25 2.27 -0.03 0.00 -1.03 0.00 0.00 54.13 55.60 2hfv s LEU 93 Cb 0.14 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 2hfv s LEU 93 CO 0.16 -0.50 -0.05 -1.14 0.23 0.00 0.00 176.35 175.05 2hfv n ARG 94 N 3.06 0.08 0.00 1.70 3.00 0.11 -4.98 116.66 119.63 2hfv n ARG 94 Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 2hfv n ARG 94 Cb 0.44 -0.63 0.00 0.00 0.00 0.00 0.00 32.46 32.27 2hfv n ARG 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2hfv n SER 95 N -3.61 -4.05 0.02 6.15 7.64 -0.39 -4.32 113.62 115.05 2hfv n SER 95 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 2hfv n SER 95 Cb 0.08 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 2hfv n SER 95 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2hfv h ASP 96 N 0.00 -0.11 0.00 6.43 2.03 -1.93 -3.45 116.42 119.39 2hfv h ASP 96 Ca 0.00 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2hfv h ASP 96 Cb 0.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2hfv h ASP 96 CO 0.00 0.49 0.00 -0.67 -1.03 0.00 0.00 179.24 178.03