#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 -0.11 3.20 -5.12 0.00 -1.26 -5.09 105.19 96.81 2hfv n GLY 2 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.03 3.85 -0.33 1.61 0.01 -1.26 -5.09 113.70 112.47 2hfv s SER 3 Ca 0.00 -0.64 -0.10 0.00 1.31 0.00 0.00 55.95 56.52 2hfv s SER 3 Cb 0.00 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2hfv s SER 3 CO 0.00 -0.04 0.17 -0.44 0.41 0.00 0.00 173.24 173.33 2hfv s SER 4 N 1.36 5.60 -0.23 2.44 0.01 -1.26 -5.05 113.70 116.57 2hfv s SER 4 Ca 0.04 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 2hfv s SER 4 Cb -0.14 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.15 2hfv s SER 4 CO -0.07 -0.25 0.09 -1.38 0.41 0.00 0.00 173.24 172.04 2hfv s HIS 5 N 1.59 0.59 -0.32 2.43 -0.00 -1.26 -5.06 115.29 113.27 2hfv s HIS 5 Ca 0.04 -0.77 -0.01 0.00 -0.00 0.00 0.00 55.06 54.32 2hfv s HIS 5 Cb -0.18 -0.95 0.13 0.00 -0.00 0.00 0.00 32.58 31.59 2hfv s HIS 5 CO 0.06 -0.67 0.24 -1.01 -0.00 0.00 0.00 174.74 173.36 2hfv s HIS 6 N 2.00 0.16 0.47 0.38 0.09 -1.26 -5.14 115.29 112.00 2hfv s HIS 6 Ca 0.04 -0.96 -0.21 0.00 -0.00 0.00 0.00 55.06 53.94 2hfv s HIS 6 Cb -0.16 -0.72 -0.09 0.00 -0.00 0.00 0.00 32.58 31.61 2hfv s HIS 6 CO -0.19 -0.88 1.04 -3.38 -0.00 0.00 0.00 174.74 171.33 2hfv s HIS 7 N 1.70 3.04 -0.29 1.40 0.00 -1.26 -5.06 115.29 114.82 2hfv s HIS 7 Ca 0.13 1.59 -0.16 0.00 -3.00 0.00 0.00 55.06 53.62 2hfv s HIS 7 Cb -0.18 -3.07 0.14 0.00 -4.00 0.00 0.00 32.58 25.47 2hfv s HIS 7 CO -0.18 -0.79 0.93 -3.38 -1.00 0.00 0.00 174.74 170.33 2hfv s HIS 8 N -1.95 -0.66 -0.43 0.38 0.00 -1.26 -5.09 115.29 106.28 2hfv s HIS 8 Ca 0.66 1.31 0.06 0.00 -3.00 0.00 0.00 55.06 54.09 2hfv s HIS 8 Cb -0.17 0.40 0.20 0.00 -4.00 0.00 0.00 32.58 29.01 2hfv s HIS 8 CO 0.21 -0.33 0.51 -2.39 -1.00 0.00 0.00 174.74 171.74 2hfv n HIS 9 N 3.93 -1.48 -2.62 0.38 -0.00 -1.26 -5.08 115.22 109.09 2hfv n HIS 9 Ca -0.18 -2.91 -0.42 0.00 -0.00 0.00 0.00 57.72 54.21 2hfv n HIS 9 Cb 0.57 0.41 -0.02 0.00 -0.00 0.00 0.00 29.99 30.95 2hfv n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hfv s HIS 10 N -0.12 2.69 -0.09 -1.40 5.65 -1.26 -4.91 115.29 115.85 2hfv s HIS 10 Ca 0.33 -1.12 0.00 0.00 0.25 0.00 0.00 55.06 54.52 2hfv s HIS 10 Cb 0.09 -4.65 0.02 0.00 -1.18 0.00 0.00 32.58 26.87 2hfv s HIS 10 CO -0.16 -1.84 -0.07 -1.12 -0.65 0.00 0.00 174.74 170.90 2hfv s SER 11 N 4.58 1.86 -0.25 9.88 0.01 -1.26 -5.12 113.70 123.40 2hfv s SER 11 Ca 0.46 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 2hfv s SER 11 Cb 0.00 -0.74 0.08 0.00 0.21 0.00 0.00 66.02 65.57 2hfv s SER 11 CO -0.06 -0.08 0.09 -0.55 0.41 0.00 0.00 173.24 173.04 2hfv s SER 12 N 1.39 3.35 0.38 2.44 0.15 -1.26 -5.12 113.70 115.03 2hfv s SER 12 Ca -0.02 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2hfv s SER 12 Cb -0.13 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2hfv s SER 12 CO -0.04 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2hfv n GLY 13 N 5.07 -1.39 2.62 9.45 0.00 -1.26 -5.06 105.19 114.63 2hfv n GLY 13 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2hfv n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hfv n ARG 14 N -0.57 0.27 -3.91 1.61 1.85 -1.26 -5.19 116.66 109.46 2hfv n ARG 14 Ca 0.00 -0.74 -0.10 0.00 -1.00 0.00 0.00 57.85 56.01 2hfv n ARG 14 Cb 0.00 1.08 -0.10 0.00 -1.05 0.00 0.00 32.46 32.40 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2hfv s GLU 15 N -2.02 0.55 -0.30 2.89 -1.05 -1.26 -5.15 118.70 112.36 2hfv s GLU 15 Ca 0.18 -0.64 -0.07 0.00 -0.15 0.00 0.00 54.97 54.29 2hfv s GLU 15 Cb -0.01 0.22 0.16 0.00 -0.44 0.00 0.00 34.13 34.06 2hfv s GLU 15 CO 0.01 -0.13 0.69 1.21 0.95 0.00 0.00 175.26 177.99 2hfv s ASN 16 N -1.87 -1.14 -0.39 0.83 3.84 -1.26 -5.13 114.94 109.82 2hfv s ASN 16 Ca -0.08 1.16 -0.02 0.00 0.21 0.00 0.00 52.86 54.13 2hfv s ASN 16 Cb -0.04 2.14 0.10 0.00 -0.55 0.00 0.00 41.25 42.90 2hfv s ASN 16 CO -0.03 -0.22 0.17 -0.76 -2.79 0.00 0.00 177.10 173.48 2hfv s LEU 17 N 2.84 5.09 0.08 3.21 1.43 -1.26 -5.06 118.68 125.01 2hfv s LEU 17 Ca 0.05 -1.99 0.07 0.00 -1.03 0.00 0.00 54.13 51.23 2hfv s LEU 17 Cb -0.12 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2hfv s LEU 17 CO -0.19 -0.50 -0.18 -0.31 0.23 0.00 0.00 176.35 175.40 2hfv s TYR 18 N 1.12 1.55 -0.03 0.29 2.02 -1.26 -5.15 117.35 115.89 2hfv s TYR 18 Ca 0.08 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2hfv s TYR 18 Cb -0.22 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2hfv s TYR 18 CO -0.04 0.13 -0.00 -0.59 -1.57 0.00 0.00 175.55 173.47 2hfv s PHE 19 N -1.16 0.32 -0.38 2.71 -0.71 -1.26 -5.08 117.98 112.42 2hfv s PHE 19 Ca 0.03 -0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 55.90 2hfv s PHE 19 Cb -0.10 -0.39 0.19 0.00 -1.21 0.00 0.00 43.02 41.51 2hfv s PHE 19 CO 0.03 -0.11 0.86 -1.14 -1.34 0.00 0.00 175.22 173.52 2hfv s GLN 20 N 0.88 0.52 -0.97 1.99 2.00 -1.26 -5.10 119.66 117.71 2hfv s GLN 20 Ca -0.09 -0.26 -0.04 0.00 -2.00 0.00 0.00 55.36 52.98 2hfv s GLN 20 Cb -0.12 0.04 0.25 0.00 0.80 0.00 0.00 33.01 33.98 2hfv s GLN 20 CO -0.01 -0.73 0.98 0.41 -0.50 0.00 0.00 175.29 175.44 2hfv n GLY 21 N 3.78 4.34 3.24 2.59 0.00 -1.26 -4.42 105.19 113.46 2hfv n GLY 21 Ca 0.10 -2.62 -0.12 0.00 0.00 0.00 0.00 46.02 43.38 2hfv n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hfv s HIS 22 N -1.63 1.07 -0.06 1.61 3.76 -1.26 -5.03 115.29 113.75 2hfv s HIS 22 Ca 0.30 -1.31 0.02 0.00 -0.15 0.00 0.00 55.06 53.92 2hfv s HIS 22 Cb -0.05 -0.48 0.02 0.00 1.11 0.00 0.00 32.58 33.18 2hfv s HIS 22 CO -0.07 -0.67 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.53 2hfv s LEU 23 N -3.14 1.57 0.38 0.89 1.02 -1.26 -0.87 118.68 117.26 2hfv s LEU 23 Ca 0.37 -0.24 0.07 0.00 0.02 0.00 0.00 54.13 54.34 2hfv s LEU 23 Cb 0.06 -0.70 -0.07 0.00 0.02 0.00 0.00 46.19 45.50 2hfv s LEU 23 CO 0.11 0.01 0.01 -0.13 0.02 0.00 0.00 176.35 176.37 2hfv s ARG 24 N 0.70 1.86 -0.05 1.70 0.52 -1.02 -4.88 118.95 117.77 2hfv s ARG 24 Ca -0.13 -2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 52.75 2hfv s ARG 24 Cb -0.15 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.81 2hfv s ARG 24 CO 0.03 -0.06 1.60 -1.21 0.02 0.00 0.00 175.30 175.67 2hfv s GLU 25 N -3.74 4.19 0.14 3.54 2.02 -1.26 -2.18 118.70 121.41 2hfv s GLU 25 Ca 0.35 2.13 -0.05 0.00 0.02 0.00 0.00 54.97 57.42 2hfv s GLU 25 Cb 0.09 -3.91 -0.06 0.00 0.10 0.00 0.00 34.13 30.35 2hfv s GLU 25 CO 0.17 -0.80 1.35 1.25 0.02 0.00 0.00 175.26 177.24 2hfv h LEU 26 N 9.93 0.60 -7.00 1.80 7.12 -1.41 -3.37 115.31 122.98 2hfv h LEU 26 Ca -0.38 -0.44 0.28 0.00 0.13 0.00 0.00 57.88 57.48 2hfv h LEU 26 Cb 1.17 -0.18 -0.20 0.00 -0.53 0.00 0.00 40.66 40.92 2hfv h LEU 26 CO 0.95 1.21 0.87 -1.48 -0.13 0.00 0.00 178.44 179.87 2hfv s LEU 27 N -7.94 -0.09 -0.31 2.25 2.34 -1.24 -0.86 118.68 112.82 2hfv s LEU 27 Ca -0.07 0.00 -0.06 0.00 0.06 0.00 0.00 54.13 54.07 2hfv s LEU 27 Cb 0.09 1.26 0.03 0.00 -0.56 0.00 0.00 46.19 47.01 2hfv s LEU 27 CO 0.87 -0.15 0.07 0.00 -1.06 0.00 0.00 176.35 176.08 2hfv s ARG 28 N -2.28 2.78 -0.48 1.48 1.04 -0.88 -2.83 118.95 117.78 2hfv s ARG 28 Ca 0.10 -1.06 -0.25 0.00 -1.04 0.00 0.00 55.73 53.48 2hfv s ARG 28 Cb -0.01 -3.37 0.03 0.00 -2.04 0.00 0.00 34.95 29.56 2hfv s ARG 28 CO -0.04 -0.57 0.94 0.99 -0.04 0.00 0.00 175.30 176.58 2hfv s THR 29 N 1.42 4.44 -0.61 4.99 2.01 0.14 -4.74 115.64 123.28 2hfv s THR 29 Ca -0.00 0.67 0.24 0.00 0.31 0.00 0.00 61.69 62.91 2hfv s THR 29 Cb -0.18 -4.46 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 2hfv s THR 29 CO 0.02 -0.90 1.20 -0.46 -0.69 0.00 0.00 174.62 173.79 2hfv n ASN 30 N 7.26 0.67 0.09 3.53 0.23 -1.26 -3.18 115.26 122.60 2hfv n ASN 30 Ca 0.06 0.01 -0.06 0.00 -0.53 0.00 0.00 54.58 54.06 2hfv n ASN 30 Cb 0.48 0.40 0.09 0.00 -2.08 0.00 0.00 39.78 38.68 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2hfv h ASP 31 N 0.00 0.24 0.00 0.53 3.58 -1.97 -3.47 116.42 115.33 2hfv h ASP 31 Ca 0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2hfv h ASP 31 Cb 0.75 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2hfv h ASP 31 CO 0.00 0.85 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 2hfv n ALA 32 N -2.46 0.00 0.12 -0.78 0.00 -1.25 -4.50 120.51 111.64 2hfv n ALA 32 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2hfv n ALA 32 Cb 0.67 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.97 2hfv n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hfv h VAL 33 N 0.00 1.28 -1.00 0.00 2.07 -1.94 -3.33 116.25 113.33 2hfv h VAL 33 Ca 0.00 -2.58 0.16 0.00 0.82 0.00 0.00 66.70 65.10 2hfv h VAL 33 Cb 0.00 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 32.55 2hfv h VAL 33 CO 0.00 0.78 0.62 0.25 0.02 0.00 0.00 177.57 179.24 2hfv h LEU 34 N 0.22 0.84 -1.83 2.57 5.85 -1.99 -1.24 115.31 119.73 2hfv h LEU 34 Ca -0.23 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2hfv h LEU 34 Cb 2.05 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.99 2hfv h LEU 34 CO 0.26 0.37 -0.14 0.17 -0.34 0.00 0.00 178.44 178.77 2hfv h LEU 35 N 0.86 0.00 -0.69 2.25 8.10 -1.95 0.40 115.31 124.28 2hfv h LEU 35 Ca 0.54 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 58.39 2hfv h LEU 35 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.93 2hfv h LEU 35 CO -0.32 0.14 -0.51 0.28 -4.11 0.00 0.00 178.44 173.91 2hfv h SER 36 N 0.00 0.40 0.02 0.17 0.02 -1.40 -0.82 113.55 111.95 2hfv h SER 36 Ca -0.00 -0.20 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 2hfv h SER 36 Cb 0.37 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 62.81 2hfv h SER 36 CO 0.02 0.85 -0.99 0.00 -1.14 0.00 0.00 176.83 175.56 2hfv h ALA 37 N 1.17 0.09 -0.74 3.77 0.00 -1.21 -3.19 119.26 119.14 2hfv h ALA 37 Ca 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 54.30 2hfv h ALA 37 Cb 1.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2hfv h ALA 37 CO 0.09 0.62 0.49 0.28 0.00 0.00 0.00 179.25 180.72 2hfv h VAL 38 N 0.27 1.00 -0.38 0.00 2.07 -0.85 -2.18 116.25 116.18 2hfv h VAL 38 Ca -0.13 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2hfv h VAL 38 Cb 1.67 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2hfv h VAL 38 CO 0.19 0.14 0.22 1.23 0.02 0.00 0.00 177.57 179.37 2hfv h GLY 39 N 0.75 0.55 2.00 2.17 0.00 -1.14 -0.87 103.07 106.53 2hfv h GLY 39 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2hfv h GLY 39 CO -0.11 0.22 -0.28 0.00 0.00 0.00 0.00 176.54 176.38 2hfv h ALA 40 N 1.09 1.21 0.06 3.60 0.00 -1.42 -1.66 119.26 122.14 2hfv h ALA 40 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hfv h ALA 40 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2hfv h ALA 40 CO -0.02 0.34 -0.03 -0.07 0.00 0.00 0.00 179.25 179.47 2hfv h LEU 41 N 0.00 -0.07 -0.45 0.00 3.38 -0.89 -1.58 115.31 115.70 2hfv h LEU 41 Ca -0.00 -0.56 -0.15 0.00 0.09 0.00 0.00 57.88 57.25 2hfv h LEU 41 Cb 0.63 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2hfv h LEU 41 CO 0.04 0.59 -0.36 -0.07 0.09 0.00 0.00 178.44 178.73 2hfv h LEU 42 N -0.80 0.96 -0.45 1.67 3.38 -1.12 -2.03 115.31 116.92 2hfv h LEU 42 Ca -0.01 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 2hfv h LEU 42 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2hfv h LEU 42 CO 0.01 1.21 -0.78 0.44 0.09 0.00 0.00 178.44 179.42 2hfv h ASP 43 N 0.75 0.05 0.50 -0.43 5.19 -1.44 -1.30 116.42 119.73 2hfv h ASP 43 Ca 0.07 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 2hfv h ASP 43 Cb 0.94 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2hfv h ASP 43 CO 0.09 0.80 -0.25 1.23 -3.12 0.00 0.00 179.24 177.99 2hfv h GLY 44 N 2.19 0.00 -1.04 2.75 0.00 -1.04 -1.57 103.07 104.36 2hfv h GLY 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2hfv h GLY 44 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.64 2hfv n ALA 45 N -2.34 2.50 -0.95 3.60 0.00 -0.78 -4.90 120.51 117.63 2hfv n ALA 45 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2hfv n ALA 45 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.46 -3.39 -0.01 0.00 2.03 -0.59 -4.86 116.55 110.19 2hfv n ASP 46 Ca 0.16 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.30 2hfv n ASP 46 Cb 0.35 -1.74 -0.11 0.00 -0.72 0.00 0.00 41.12 38.90 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 1.45 0.00 5.18 2.04 -1.48 -3.49 117.51 121.21 2hfv h ILE 47 Ca 0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2hfv h ILE 47 Cb 0.36 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2hfv h ILE 47 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.32 2hfv n GLY 48 N 0.97 0.93 2.97 5.37 0.00 -0.80 -4.91 105.19 109.72 2hfv n GLY 48 Ca -0.10 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.28 -0.11 -0.29 1.61 -3.43 -1.26 -4.72 115.29 104.81 2hfv s HIS 49 Ca 0.00 0.26 0.02 0.00 -0.80 0.00 0.00 55.06 54.54 2hfv s HIS 49 Cb 0.00 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.25 2hfv s HIS 49 CO 0.00 -0.05 -0.04 -0.51 -2.00 0.00 0.00 174.74 172.14 2hfv s LEU 50 N 0.07 3.96 -0.40 5.38 1.43 -0.86 -4.98 118.68 123.28 2hfv s LEU 50 Ca -0.00 -1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 51.22 2hfv s LEU 50 Cb -0.01 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.62 2hfv s LEU 50 CO 0.00 -0.27 0.91 -0.69 0.23 0.00 0.00 176.35 176.54 2hfv s VAL 51 N 1.06 4.56 -0.31 -1.59 1.01 -1.26 -0.41 120.40 123.45 2hfv s VAL 51 Ca -0.02 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 2hfv s VAL 51 Cb -0.20 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.83 2hfv s VAL 51 CO -0.05 -0.64 0.13 -0.22 0.00 0.00 0.00 175.10 174.32 2hfv s LEU 52 N 3.55 4.11 0.00 3.92 2.96 0.86 -4.94 118.68 129.13 2hfv s LEU 52 Ca 0.37 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2hfv s LEU 52 Cb -0.11 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2hfv s LEU 52 CO 0.21 -0.22 0.02 -0.90 -1.32 0.00 0.00 176.35 174.13 2hfv n ASP 53 N 4.94 -0.04 -4.31 3.68 5.75 -1.26 -2.94 116.55 122.36 2hfv n ASP 53 Ca -0.14 -1.04 -0.46 0.00 -0.01 0.00 0.00 54.79 53.14 2hfv n ASP 53 Cb 0.48 0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.60 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2hfv s GLN 54 N -2.01 2.99 -0.06 0.11 -0.21 -1.26 -4.94 119.66 114.29 2hfv s GLN 54 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.70 2hfv s GLN 54 Cb -0.00 -4.29 0.05 0.00 1.00 0.00 0.00 33.01 29.77 2hfv s GLN 54 CO 0.00 -1.32 1.60 0.09 -2.12 0.00 0.00 175.29 173.54 2hfv n ASN 55 N 5.27 4.48 -0.51 5.90 4.13 -1.26 -2.92 115.26 130.35 2hfv n ASN 55 Ca -0.14 -2.37 -0.00 0.00 1.68 0.00 0.00 54.58 53.75 2hfv n ASN 55 Cb 0.40 -0.86 -0.00 0.00 -1.54 0.00 0.00 39.78 37.78 2hfv n ASN 55 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2hfv n MET 56 N 0.86 0.00 -2.37 3.52 1.56 -1.26 -5.09 117.12 114.33 2hfv n MET 56 Ca 0.06 -0.27 -0.43 0.00 -0.27 0.00 0.00 57.70 56.80 2hfv n MET 56 Cb 0.56 -0.11 -0.02 0.00 2.15 0.00 0.00 33.22 35.80 2hfv n MET 56 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2hfv s SER 57 N -0.27 6.52 -0.37 6.12 0.01 -1.15 -4.97 113.70 119.59 2hfv s SER 57 Ca 0.00 1.08 -0.02 0.00 1.31 0.00 0.00 55.95 58.32 2hfv s SER 57 Cb 0.00 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.78 2hfv s SER 57 CO -0.00 -1.24 0.12 -0.51 0.41 0.00 0.00 173.24 172.03 2hfv s ILE 58 N 4.86 3.13 -0.08 1.44 1.10 -1.26 -5.07 121.20 125.32 2hfv s ILE 58 Ca 0.59 -1.83 0.04 0.00 -0.51 0.00 0.00 60.65 58.94 2hfv s ILE 58 Cb -0.16 -3.04 0.00 0.00 0.15 0.00 0.00 42.46 39.42 2hfv s ILE 58 CO 0.27 -0.48 -0.20 -0.22 -2.11 0.00 0.00 174.94 172.20 2hfv s LEU 59 N 1.17 1.95 -0.63 8.50 1.98 -1.26 -5.07 118.68 125.33 2hfv s LEU 59 Ca 0.04 -0.47 -0.26 0.00 -2.89 0.00 0.00 54.13 50.55 2hfv s LEU 59 Cb -0.21 -1.22 -0.06 0.00 0.66 0.00 0.00 46.19 45.36 2hfv s LEU 59 CO -0.03 0.13 2.13 -1.83 -1.89 0.00 0.00 176.35 174.86 2hfv s GLU 60 N 0.38 2.30 0.00 1.98 -1.05 -1.26 -4.73 118.70 116.32 2hfv s GLU 60 Ca -0.16 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 2hfv s GLU 60 Cb -0.17 -4.59 0.00 0.00 -0.44 0.00 0.00 34.13 28.93 2hfv s GLU 60 CO 0.07 -3.22 0.00 0.41 0.95 0.00 0.00 175.26 173.46 2hfv n GLY 61 N 6.09 4.46 3.38 -3.83 0.00 -1.26 -5.00 105.19 109.03 2hfv n GLY 61 Ca 0.32 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 2hfv n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hfv s SER 62 N 0.00 7.11 -0.09 1.61 0.01 -1.26 -4.95 113.70 116.13 2hfv s SER 62 Ca 0.00 -3.17 -0.03 0.00 1.31 0.00 0.00 55.95 54.06 2hfv s SER 62 Cb 0.00 -2.27 0.04 0.00 0.21 0.00 0.00 66.02 64.00 2hfv s SER 62 CO 0.00 -0.51 0.07 -0.22 0.41 0.00 0.00 173.24 172.99 2hfv s LEU 63 N -0.02 0.28 -0.67 2.44 2.96 -1.26 -5.10 118.68 117.31 2hfv s LEU 63 Ca 0.31 -0.20 -0.27 0.00 -0.22 0.00 0.00 54.13 53.76 2hfv s LEU 63 Cb -0.08 -0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.43 2hfv s LEU 63 CO -0.06 -0.28 1.21 -0.83 -1.32 0.00 0.00 176.35 175.06 2hfv s GLY 64 N 2.14 1.03 0.00 7.98 0.00 -1.26 -4.76 107.32 112.44 2hfv s GLY 64 Ca 0.04 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.60 2hfv s GLY 64 CO -0.05 2.53 0.63 -0.62 0.00 0.00 0.00 173.10 175.59 2hfv n VAL 65 N 6.44 0.00 -3.47 1.40 0.31 -1.26 -4.94 118.33 116.81 2hfv n VAL 65 Ca 0.04 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.45 2hfv n VAL 65 Cb 0.49 1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 34.41 2hfv n VAL 65 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2hfv s ILE 66 N -0.37 5.02 -0.86 2.52 1.09 -1.26 -5.02 121.20 122.33 2hfv s ILE 66 Ca 0.05 -0.93 -0.25 0.00 -1.10 0.00 0.00 60.65 58.43 2hfv s ILE 66 Cb 0.04 -3.90 -0.00 0.00 -1.06 0.00 0.00 42.46 37.53 2hfv s ILE 66 CO 0.05 -0.42 1.69 -2.16 -0.10 0.00 0.00 174.94 174.01 2hfv s PRO 67 N 1.62 2.96 0.15 2.79 0.04 -1.26 -4.95 135.00 136.35 2hfv s PRO 67 Ca 0.04 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.41 2hfv s PRO 67 Cb -0.21 -4.90 -0.08 0.00 0.04 0.00 0.00 34.50 29.35 2hfv s PRO 67 CO 0.07 -2.75 1.22 1.03 0.04 0.00 0.00 177.00 176.62 2hfv s ARG 68 N 6.24 4.46 -0.09 4.56 0.52 -1.19 -4.69 118.95 128.77 2hfv s ARG 68 Ca 0.58 1.88 0.02 0.00 -0.52 0.00 0.00 55.73 57.68 2hfv s ARG 68 Cb -0.06 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 2hfv s ARG 68 CO 0.03 -0.16 -0.13 1.03 0.02 0.00 0.00 175.30 176.08 2hfv s ARG 69 N 0.15 2.94 -0.31 3.54 0.52 -1.15 -0.69 118.95 123.95 2hfv s ARG 69 Ca 0.55 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.97 2hfv s ARG 69 Cb -0.32 -2.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 2hfv s ARG 69 CO 0.35 0.43 0.19 0.08 0.02 0.00 0.00 175.30 176.36 2hfv s VAL 70 N -0.21 4.98 -0.06 3.52 1.01 -1.13 -0.10 120.40 128.42 2hfv s VAL 70 Ca 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2hfv s VAL 70 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2hfv s VAL 70 CO 0.03 0.09 0.12 -0.76 0.00 0.00 0.00 175.10 174.58 2hfv s LEU 71 N 1.68 4.16 0.14 3.92 1.02 0.45 -0.99 118.68 129.07 2hfv s LEU 71 Ca 0.06 0.32 0.08 0.00 0.02 0.00 0.00 54.13 54.60 2hfv s LEU 71 Cb -0.17 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.77 2hfv s LEU 71 CO 0.09 0.33 -0.17 -0.69 0.02 0.00 0.00 176.35 175.92 2hfv s VAL 72 N -1.13 1.66 0.36 -1.59 1.01 -0.93 -2.03 120.40 117.75 2hfv s VAL 72 Ca 0.20 -1.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.09 2hfv s VAL 72 Cb -0.12 -1.71 -0.11 0.00 0.00 0.00 0.00 36.38 34.44 2hfv s VAL 72 CO 0.10 -0.31 1.48 1.57 0.00 0.00 0.00 175.10 177.95 2hfv n HIS 73 N 0.48 2.87 -1.05 5.22 -0.00 -1.26 -2.43 115.22 119.05 2hfv n HIS 73 Ca -0.15 0.43 -0.34 0.00 0.46 0.00 0.00 57.72 58.12 2hfv n HIS 73 Cb 0.56 -2.53 0.12 0.00 -0.12 0.00 0.00 29.99 28.03 2hfv n HIS 73 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2hfv n GLU 74 N 0.78 0.09 0.00 1.57 1.02 -0.05 -0.72 120.64 123.32 2hfv n GLU 74 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2hfv n GLU 74 Cb 0.38 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 2hfv n GLU 74 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hfv n ASP 75 N -2.62 0.00 0.16 1.62 2.03 -1.26 -4.29 116.55 112.19 2hfv n ASP 75 Ca 0.12 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.56 2hfv n ASP 75 Cb 0.51 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.38 2hfv n ASP 75 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2hfv h ASP 76 N 0.00 0.00 -0.55 1.67 3.32 -1.84 -2.82 116.42 116.20 2hfv h ASP 76 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2hfv h ASP 76 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2hfv h ASP 76 CO 0.00 0.00 0.24 0.25 -1.72 0.00 0.00 179.24 178.01 2hfv h LEU 77 N 0.00 0.29 -0.84 1.55 7.12 -1.11 0.31 115.31 122.63 2hfv h LEU 77 Ca 0.00 0.05 -0.07 0.00 0.13 0.00 0.00 57.88 57.99 2hfv h LEU 77 Cb 0.56 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 2hfv h LEU 77 CO 0.00 0.19 0.05 0.00 -0.13 0.00 0.00 178.44 178.55 2hfv h ALA 78 N 1.34 1.04 -0.29 1.25 0.00 -1.81 -0.62 119.26 120.17 2hfv h ALA 78 Ca 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2hfv h ALA 78 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hfv h ALA 78 CO -0.23 0.61 -0.09 0.78 0.00 0.00 0.00 179.25 180.32 2hfv h GLY 79 N 1.01 0.62 0.98 0.00 0.00 -1.43 -2.46 103.07 101.80 2hfv h GLY 79 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2hfv h GLY 79 CO 0.02 0.48 0.65 0.00 0.00 0.00 0.00 176.54 177.69 2hfv h ALA 80 N 0.78 1.32 -0.01 3.60 0.00 -0.22 -0.75 119.26 123.99 2hfv h ALA 80 Ca 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2hfv h ALA 80 Cb 0.58 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2hfv h ALA 80 CO 0.03 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 2hfv h ARG 81 N 1.31 -0.29 -0.56 0.00 3.08 -0.96 -0.34 114.38 116.61 2hfv h ARG 81 Ca 0.37 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 2hfv h ARG 81 Cb -0.10 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2hfv h ARG 81 CO -0.09 -0.20 0.27 -0.09 -1.07 0.00 0.00 179.97 178.79 2hfv h ARG 82 N -0.31 0.81 -0.32 0.04 2.43 -0.96 -0.09 114.38 115.98 2hfv h ARG 82 Ca 0.06 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2hfv h ARG 82 Cb 0.38 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2hfv h ARG 82 CO -0.18 0.66 0.19 1.25 -1.51 0.00 0.00 179.97 180.37 2hfv h LEU 83 N 0.76 0.30 -0.95 3.80 5.85 -0.93 -1.61 115.31 122.53 2hfv h LEU 83 Ca 0.19 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2hfv h LEU 83 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2hfv h LEU 83 CO -0.03 0.22 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.86 2hfv h LEU 84 N 0.38 0.00 -0.09 2.25 3.38 -0.81 -1.34 115.31 119.09 2hfv h LEU 84 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2hfv h LEU 84 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hfv h LEU 84 CO -0.06 0.37 -0.03 0.74 0.09 0.00 0.00 178.44 179.55 2hfv h THR 85 N 0.00 1.31 -0.52 0.22 2.02 -0.49 -1.69 112.91 113.77 2hfv h THR 85 Ca -0.00 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2hfv h THR 85 Cb 0.88 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 2hfv h THR 85 CO 0.05 0.28 0.05 0.44 0.37 0.00 0.00 175.52 176.71 2hfv h ASP 86 N -0.18 0.85 -3.37 4.18 3.32 -1.21 -3.36 116.42 116.64 2hfv h ASP 86 Ca 0.02 -0.28 -0.63 0.00 0.02 0.00 0.00 57.03 56.16 2hfv h ASP 86 Cb 0.46 -0.23 -0.41 0.00 0.22 0.00 0.00 39.33 39.37 2hfv h ASP 86 CO 0.01 0.92 -0.56 0.00 -1.72 0.00 0.00 179.24 177.90 2hfv s ALA 87 N -5.12 3.75 0.00 3.45 0.00 -0.51 -4.91 121.76 118.42 2hfv s ALA 87 Ca -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 51.96 48.10 2hfv s ALA 87 Cb 0.12 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2hfv s ALA 87 CO 0.82 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.90 2hfv n GLY 88 N 2.22 -0.63 0.00 0.00 0.00 -0.93 -4.51 105.19 101.33 2hfv n GLY 88 Ca 0.17 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 0.00 -3.86 0.99 -0.00 -0.68 -5.00 117.00 108.45 2hfv n LEU 89 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2hfv n LEU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2hfv n LEU 89 CO 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 177.39 177.22 2hfv n ALA 90 N 0.00 -2.24 -0.11 1.47 0.00 -1.24 -4.78 120.51 113.61 2hfv n ALA 90 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2hfv n ALA 90 Cb 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 16.82 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 -4.37 0.02 0.79 0.00 -0.00 -1.26 -4.41 115.22 105.99 2hfv n HIS 91 Ca -0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 57.72 57.50 2hfv n HIS 91 Cb 0.65 -1.00 0.03 0.00 -0.00 0.00 0.00 29.99 29.66 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 -2.99 1.29 -1.64 1.57 1.02 -1.26 -4.80 120.64 113.83 2hfv n GLU 92 Ca -0.39 -0.32 -0.54 0.00 -0.02 0.00 0.00 57.16 55.89 2hfv n GLU 92 Cb 1.08 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 31.06 2hfv n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hfv n LEU 93 N 0.18 2.54 0.00 -4.62 4.77 -1.26 -2.67 117.00 115.94 2hfv n LEU 93 Ca 0.04 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2hfv n LEU 93 Cb 0.47 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2hfv n LEU 93 CO 0.05 -0.42 0.00 0.54 -1.33 0.00 0.00 177.39 176.23 2hfv n ARG 94 N 6.38 0.00 -3.92 3.23 1.74 -0.04 -4.55 116.66 119.50 2hfv n ARG 94 Ca 0.30 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.23 2hfv n ARG 94 Cb 0.18 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.47 2hfv n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hfv s SER 95 N -3.39 0.26 0.00 0.55 1.04 -1.22 -2.07 113.70 108.88 2hfv s SER 95 Ca 0.00 -0.02 0.19 0.00 0.48 0.00 0.00 55.95 56.60 2hfv s SER 95 Cb 0.00 -0.10 0.39 0.00 0.10 0.00 0.00 66.02 66.41 2hfv s SER 95 CO 0.00 -0.05 1.32 -0.67 0.98 0.00 0.00 173.24 174.83 2hfv n ASP 96 N 3.62 3.25 -0.79 7.02 2.03 -1.26 -4.92 116.55 125.51 2hfv n ASP 96 Ca -0.20 -1.93 0.13 0.00 0.52 0.00 0.00 54.79 53.30 2hfv n ASP 96 Cb 0.54 -0.25 0.25 0.00 -0.72 0.00 0.00 41.12 40.94 2hfv n ASP 96 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75