#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 1.84 2.93 -5.12 0.00 -1.26 -5.09 105.19 98.49 2hfv n GLY 2 Ca 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 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 1.71 -0.07 1.61 0.15 -1.26 -5.13 113.70 110.72 2hfv s SER 3 Ca 0.00 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.38 2hfv s SER 3 Cb 0.00 -0.71 0.04 0.00 -1.71 0.00 0.00 66.02 63.64 2hfv s SER 3 CO 0.00 -0.06 0.06 -0.44 1.20 0.00 0.00 173.24 174.00 2hfv s SER 4 N 1.21 1.41 -0.33 5.45 0.01 -1.26 -5.08 113.70 115.11 2hfv s SER 4 Ca -0.05 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.18 2hfv s SER 4 Cb -0.14 -0.17 0.19 0.00 0.21 0.00 0.00 66.02 66.11 2hfv s SER 4 CO -0.02 -0.27 0.68 -2.28 0.41 0.00 0.00 173.24 171.77 2hfv s HIS 5 N 2.15 -1.57 -0.34 2.43 5.65 -1.26 -5.11 115.29 117.24 2hfv s HIS 5 Ca 0.04 0.66 -0.01 0.00 0.25 0.00 0.00 55.06 56.00 2hfv s HIS 5 Cb -0.13 0.28 0.13 0.00 -1.18 0.00 0.00 32.58 31.68 2hfv s HIS 5 CO -0.04 -0.97 0.20 -3.38 -0.65 0.00 0.00 174.74 169.89 2hfv s HIS 6 N 2.46 0.58 -0.47 3.88 0.00 -1.26 -5.04 115.29 115.44 2hfv s HIS 6 Ca 0.14 -1.42 0.03 0.00 -3.00 0.00 0.00 55.06 50.81 2hfv s HIS 6 Cb -0.06 -0.88 0.15 0.00 -4.00 0.00 0.00 32.58 27.79 2hfv s HIS 6 CO -0.19 -0.83 0.31 -1.01 -1.00 0.00 0.00 174.74 172.01 2hfv s HIS 7 N 1.31 1.90 -0.47 0.38 0.09 -1.26 -5.00 115.29 112.23 2hfv s HIS 7 Ca 0.16 -2.47 0.07 0.00 -0.00 0.00 0.00 55.06 52.82 2hfv s HIS 7 Cb -0.21 -1.68 0.19 0.00 -0.00 0.00 0.00 32.58 30.87 2hfv s HIS 7 CO -0.07 -0.76 0.69 -1.58 -0.00 0.00 0.00 174.74 173.02 2hfv s HIS 8 N 0.04 -1.65 -0.35 1.40 5.65 -1.26 -4.99 115.29 114.13 2hfv s HIS 8 Ca 0.23 -0.23 0.13 0.00 0.25 0.00 0.00 55.06 55.44 2hfv s HIS 8 Cb -0.14 0.32 0.42 0.00 -1.18 0.00 0.00 32.58 32.00 2hfv s HIS 8 CO -0.08 -1.23 1.44 1.58 -0.65 0.00 0.00 174.74 175.81 2hfv n HIS 9 N 3.53 -1.75 -2.72 3.88 -0.00 -1.26 -5.05 115.22 111.85 2hfv n HIS 9 Ca 0.15 -1.84 -0.43 0.00 -0.00 0.00 0.00 57.72 55.60 2hfv n HIS 9 Cb 0.57 1.35 -0.02 0.00 -0.00 0.00 0.00 29.99 31.88 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 -0.33 2.87 -0.28 1.57 2.46 -1.26 -4.85 115.29 115.46 2hfv s HIS 10 Ca 0.14 -1.31 0.02 0.00 0.47 0.00 0.00 55.06 54.38 2hfv s HIS 10 Cb 0.43 -4.54 0.17 0.00 -0.13 0.00 0.00 32.58 28.51 2hfv s HIS 10 CO -0.11 -1.72 0.48 -1.12 -2.47 0.00 0.00 174.74 169.80 2hfv s SER 11 N 4.18 -0.39 -0.20 9.88 0.01 -1.26 -5.12 113.70 120.79 2hfv s SER 11 Ca 0.43 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 2hfv s SER 11 Cb -0.01 1.48 0.10 0.00 0.21 0.00 0.00 66.02 67.81 2hfv s SER 11 CO -0.05 -0.32 0.34 -0.44 0.41 0.00 0.00 173.24 173.18 2hfv s SER 12 N 2.66 0.32 0.41 2.44 0.01 -1.26 -5.16 113.70 113.12 2hfv s SER 12 Ca 0.12 0.42 0.08 0.00 1.31 0.00 0.00 55.95 57.87 2hfv s SER 12 Cb -0.12 0.98 -0.03 0.00 0.21 0.00 0.00 66.02 67.06 2hfv s SER 12 CO -0.26 -0.28 0.34 -0.83 0.41 0.00 0.00 173.24 172.63 2hfv s GLY 13 N 2.50 2.15 -0.36 3.44 0.00 -1.26 -5.10 107.32 108.69 2hfv s GLY 13 Ca 0.06 -1.91 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 2hfv s GLY 13 CO -0.13 -1.72 0.10 1.09 0.00 0.00 0.00 173.10 172.44 2hfv s ARG 14 N -4.09 1.97 0.03 2.90 1.70 -1.26 -5.09 118.95 115.11 2hfv s ARG 14 Ca 0.47 -1.69 -0.27 0.00 -0.47 0.00 0.00 55.73 53.77 2hfv s ARG 14 Cb -0.02 -3.36 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 2hfv s ARG 14 CO 0.27 -0.91 0.84 -1.83 -1.08 0.00 0.00 175.30 172.60 2hfv s GLU 15 N 1.10 4.54 -0.22 3.89 -1.05 -1.26 -5.03 118.70 120.67 2hfv s GLU 15 Ca 0.05 1.20 -0.16 0.00 -0.15 0.00 0.00 54.97 55.90 2hfv s GLU 15 Cb -0.21 -3.40 -0.04 0.00 -0.44 0.00 0.00 34.13 30.04 2hfv s GLU 15 CO -0.05 0.15 0.43 1.21 0.95 0.00 0.00 175.26 177.95 2hfv s ASN 16 N 0.36 6.42 -0.23 0.83 2.47 -1.26 -5.04 114.94 118.49 2hfv s ASN 16 Ca 0.43 0.50 -0.03 0.00 0.42 0.00 0.00 52.86 54.18 2hfv s ASN 16 Cb -0.21 -2.24 0.07 0.00 -1.45 0.00 0.00 41.25 37.42 2hfv s ASN 16 CO 0.25 -0.14 0.07 -0.76 -3.72 0.00 0.00 177.10 172.79 2hfv s LEU 17 N 1.65 1.28 -0.05 3.21 1.43 -1.26 -5.01 118.68 119.92 2hfv s LEU 17 Ca 0.19 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2hfv s LEU 17 Cb -0.15 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 2hfv s LEU 17 CO 0.09 -0.35 -0.08 -1.22 0.23 0.00 0.00 176.35 175.01 2hfv n TYR 18 N 5.05 0.24 -4.68 0.29 4.01 -1.26 -5.10 117.16 115.71 2hfv n TYR 18 Ca -0.07 0.10 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 2hfv n TYR 18 Cb 0.45 -0.36 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2hfv n TYR 18 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2hfv n PHE 19 N -3.13 -1.96 -3.81 -0.72 7.35 -1.26 -4.91 117.46 109.03 2hfv n PHE 19 Ca -0.03 0.09 -0.13 0.00 -0.76 0.00 0.00 57.45 56.61 2hfv n PHE 19 Cb 0.12 0.09 -0.14 0.00 0.35 0.00 0.00 39.48 39.90 2hfv n PHE 19 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2hfv s GLN 20 N -0.11 0.09 0.04 -4.13 0.74 -1.26 -5.07 119.66 109.96 2hfv s GLN 20 Ca 0.00 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.61 2hfv s GLN 20 Cb 0.00 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.07 2hfv s GLN 20 CO 0.00 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 2hfv n GLY 21 N 3.46 -0.15 2.89 2.59 0.00 -1.26 -5.09 105.19 107.62 2hfv n GLY 21 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.68 -3.42 -2.20 1.61 8.25 -1.26 -4.71 115.22 110.80 2hfv n HIS 22 Ca 0.00 1.43 -0.04 0.00 -0.26 0.00 0.00 57.72 58.86 2hfv n HIS 22 Cb 0.00 -3.73 -0.03 0.00 1.12 0.00 0.00 29.99 27.35 2hfv n HIS 22 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2hfv n LEU 23 N 0.09 -4.85 -4.72 2.41 4.77 -1.26 -5.05 117.00 108.39 2hfv n LEU 23 Ca 0.06 1.63 -0.31 0.00 -0.03 0.00 0.00 56.01 57.36 2hfv n LEU 23 Cb 0.35 -2.56 -0.08 0.00 -2.33 0.00 0.00 43.42 38.80 2hfv n LEU 23 CO 0.46 -2.68 -0.30 -0.13 -1.33 0.00 0.00 177.39 173.40 2hfv s ARG 24 N -0.81 2.77 0.22 3.23 0.52 -0.29 -4.88 118.95 119.71 2hfv s ARG 24 Ca -0.18 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 2hfv s ARG 24 Cb 0.01 -2.67 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 2hfv s ARG 24 CO 0.48 0.59 1.18 -2.00 0.02 0.00 0.00 175.30 175.56 2hfv s GLU 25 N -2.02 4.52 -0.26 3.54 2.12 -1.26 -0.09 118.70 125.25 2hfv s GLU 25 Ca 0.24 1.88 -0.16 0.00 0.36 0.00 0.00 54.97 57.29 2hfv s GLU 25 Cb -0.12 -3.22 -0.13 0.00 0.26 0.00 0.00 34.13 30.92 2hfv s GLU 25 CO 0.16 -0.01 -0.24 -0.11 -0.54 0.00 0.00 175.26 174.52 2hfv n LEU 26 N 2.05 1.94 -3.49 2.70 -0.00 0.12 -4.68 117.00 115.64 2hfv n LEU 26 Ca 0.03 0.36 -0.13 0.00 -0.00 0.00 0.00 56.01 56.27 2hfv n LEU 26 Cb 0.45 -0.85 -0.03 0.00 -0.00 0.00 0.00 43.42 42.98 2hfv n LEU 26 CO 0.55 0.48 0.35 -1.48 -0.00 0.00 0.00 177.39 177.29 2hfv s LEU 27 N -7.61 -0.34 -0.04 -1.96 2.34 -1.13 -0.04 118.68 109.90 2hfv s LEU 27 Ca -0.36 0.06 0.02 0.00 0.06 0.00 0.00 54.13 53.91 2hfv s LEU 27 Cb 0.13 2.39 0.01 0.00 -0.56 0.00 0.00 46.19 48.16 2hfv s LEU 27 CO 0.51 -0.87 -0.08 -0.60 -1.06 0.00 0.00 176.35 174.25 2hfv s ARG 28 N -3.25 1.10 0.23 1.48 3.52 -1.20 -0.82 118.95 120.00 2hfv s ARG 28 Ca -0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2hfv s ARG 28 Cb -0.00 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 2hfv s ARG 28 CO -0.08 0.02 0.23 -0.08 -0.81 0.00 0.00 175.30 174.58 2hfv s THR 29 N 0.58 0.00 -0.34 4.11 -1.32 -0.97 -4.84 115.64 112.86 2hfv s THR 29 Ca -0.09 -1.85 0.04 0.00 -1.21 0.00 0.00 61.69 58.57 2hfv s THR 29 Cb -0.13 -2.44 0.11 0.00 -1.51 0.00 0.00 72.50 68.53 2hfv s THR 29 CO 0.01 0.00 1.07 -0.46 -2.21 0.00 0.00 174.62 173.04 2hfv n ASN 30 N -0.43 2.30 -4.28 8.08 6.94 -1.26 -1.37 115.26 125.24 2hfv n ASN 30 Ca 0.02 -1.97 -0.33 0.00 -0.02 0.00 0.00 54.58 52.28 2hfv n ASN 30 Cb 0.65 -0.08 -0.16 0.00 -2.36 0.00 0.00 39.78 37.83 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 -0.98 3.54 0.44 0.53 2.15 -1.26 -4.27 116.67 116.82 2hfv s ASP 31 Ca 0.08 -0.46 0.24 0.00 0.43 0.00 0.00 52.55 52.84 2hfv s ASP 31 Cb 0.04 -1.52 0.53 0.00 -0.30 0.00 0.00 42.92 41.68 2hfv s ASP 31 CO 0.06 0.14 1.67 0.00 -0.17 0.00 0.00 175.17 176.86 2hfv h ALA 32 N 6.92 0.95 -0.03 3.66 0.00 -1.86 -2.82 119.26 126.08 2hfv h ALA 32 Ca -0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2hfv h ALA 32 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2hfv h ALA 32 CO 0.53 0.12 -0.02 0.28 0.00 0.00 0.00 179.25 180.16 2hfv h VAL 33 N 0.00 1.36 -0.72 0.00 2.07 -1.95 -1.92 116.25 115.09 2hfv h VAL 33 Ca -0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2hfv h VAL 33 Cb 0.95 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2hfv h VAL 33 CO 0.01 0.29 0.42 0.25 0.02 0.00 0.00 177.57 178.56 2hfv h LEU 34 N -0.38 0.86 -1.49 2.57 5.85 -2.00 -1.44 115.31 119.28 2hfv h LEU 34 Ca 0.00 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2hfv h LEU 34 Cb 0.49 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2hfv h LEU 34 CO 0.01 0.67 0.37 -0.07 -0.34 0.00 0.00 178.44 179.07 2hfv h LEU 35 N 0.99 0.58 -0.29 2.25 3.38 -1.35 0.83 115.31 121.70 2hfv h LEU 35 Ca 0.26 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2hfv h LEU 35 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2hfv h LEU 35 CO -0.05 0.41 -0.28 0.28 0.09 0.00 0.00 178.44 178.89 2hfv h SER 36 N 0.68 0.76 0.23 -0.43 0.02 -0.46 0.12 113.55 114.47 2hfv h SER 36 Ca 0.21 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2hfv h SER 36 Cb 0.02 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2hfv h SER 36 CO -0.05 1.07 -0.11 0.00 -1.14 0.00 0.00 176.83 176.60 2hfv h ALA 37 N 0.71 -0.31 -0.87 3.77 0.00 -0.90 -0.31 119.26 121.36 2hfv h ALA 37 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hfv h ALA 37 Cb 0.85 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2hfv h ALA 37 CO 0.07 -0.53 0.49 0.28 0.00 0.00 0.00 179.25 179.56 2hfv h VAL 38 N -0.60 1.25 -0.15 0.00 2.07 -0.91 -1.74 116.25 116.17 2hfv h VAL 38 Ca -0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2hfv h VAL 38 Cb 0.43 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2hfv h VAL 38 CO 0.05 0.28 0.10 1.23 0.02 0.00 0.00 177.57 179.24 2hfv h GLY 39 N 1.21 0.21 2.00 2.17 0.00 -0.70 -2.16 103.07 105.79 2hfv h GLY 39 Ca 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 2hfv h GLY 39 CO -0.05 0.08 -0.15 0.00 0.00 0.00 0.00 176.54 176.42 2hfv h ALA 40 N 1.04 1.59 0.11 3.60 0.00 -0.74 0.27 119.26 125.12 2hfv h ALA 40 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2hfv h ALA 40 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 40 CO -0.01 0.19 -0.05 -0.07 0.00 0.00 0.00 179.25 179.31 2hfv h LEU 41 N 0.00 -0.12 -0.27 0.00 3.38 -0.87 -0.05 115.31 117.38 2hfv h LEU 41 Ca -0.00 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 2hfv h LEU 41 Cb 0.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hfv h LEU 41 CO 0.02 0.24 -0.67 -0.07 0.09 0.00 0.00 178.44 178.05 2hfv h LEU 42 N -0.50 0.89 -0.50 1.67 3.38 -1.04 -1.90 115.31 117.30 2hfv h LEU 42 Ca -0.01 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 2hfv h LEU 42 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2hfv h LEU 42 CO 0.02 1.32 -0.07 -0.78 0.09 0.00 0.00 178.44 179.02 2hfv h ASP 43 N 0.56 0.93 1.17 -0.43 3.58 -0.54 0.20 116.42 121.89 2hfv h ASP 43 Ca -0.02 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2hfv h ASP 43 Cb 1.28 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2hfv h ASP 43 CO 0.14 1.05 -0.00 0.61 -2.88 0.00 0.00 179.24 178.15 2hfv n GLY 44 N -0.29 -1.58 0.98 -0.78 0.00 -0.03 -3.08 105.19 100.41 2hfv n GLY 44 Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2hfv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfv n ALA 45 N -1.61 2.41 -2.61 4.61 0.00 -0.72 -4.95 120.51 117.64 2hfv n ALA 45 Ca 0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 2hfv n ALA 45 Cb 0.37 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 1.25 -5.31 -4.72 0.00 2.03 -0.89 -4.98 116.55 103.93 2hfv n ASP 46 Ca 0.16 -0.13 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 2hfv n ASP 46 Cb 0.54 -4.28 -0.06 0.00 -0.72 0.00 0.00 41.12 36.60 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 -2.98 5.23 -0.18 5.18 1.01 0.01 -5.03 121.20 124.45 2hfv s ILE 47 Ca 0.12 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 2hfv s ILE 47 Cb -0.05 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2hfv s ILE 47 CO 0.15 0.35 1.44 -0.83 0.00 0.00 0.00 174.94 176.06 2hfv s GLY 48 N 0.55 1.47 0.01 6.18 0.00 -1.26 -4.57 107.32 109.70 2hfv s GLY 48 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2hfv s GLY 48 CO 0.08 2.75 -0.01 -2.38 0.00 0.00 0.00 173.10 173.54 2hfv s HIS 49 N 4.17 0.12 -0.25 1.90 -3.43 -1.26 -3.42 115.29 113.11 2hfv s HIS 49 Ca 0.63 -0.14 -0.03 0.00 -0.80 0.00 0.00 55.06 54.72 2hfv s HIS 49 Cb -0.24 -0.08 0.02 0.00 -1.43 0.00 0.00 32.58 30.84 2hfv s HIS 49 CO 0.23 -0.05 -0.03 -1.17 -2.00 0.00 0.00 174.74 171.72 2hfv s LEU 50 N -0.38 3.28 -0.02 5.38 2.96 0.25 -4.98 118.68 125.16 2hfv s LEU 50 Ca -0.04 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 2hfv s LEU 50 Cb -0.03 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2hfv s LEU 50 CO -0.00 -0.13 -0.09 0.68 -1.32 0.00 0.00 176.35 175.49 2hfv s VAL 51 N 1.38 0.78 0.00 1.68 -7.23 -1.26 -1.88 120.40 113.87 2hfv s VAL 51 Ca 0.01 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 2hfv s VAL 51 Cb -0.16 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2hfv s VAL 51 CO -0.03 0.24 0.00 0.18 -0.31 0.00 0.00 175.10 175.18 2hfv n LEU 52 N 3.24 0.00 0.00 1.32 4.32 -1.26 -5.12 117.00 119.50 2hfv n LEU 52 Ca -0.18 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 55.86 2hfv n LEU 52 Cb 0.55 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 2hfv n LEU 52 CO 0.25 0.00 -0.06 -0.67 -1.22 0.00 0.00 177.39 175.68 2hfv n ASP 53 N -0.46 -3.83 -0.04 -1.43 2.03 -1.26 -4.76 116.55 106.80 2hfv n ASP 53 Ca 0.00 0.37 -0.05 0.00 0.52 0.00 0.00 54.79 55.63 2hfv n ASP 53 Cb 0.00 -1.04 -0.07 0.00 -0.72 0.00 0.00 41.12 39.29 2hfv n ASP 53 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2hfv n GLN 54 N -1.81 2.46 0.00 -0.67 -0.06 -1.26 -5.00 117.38 111.04 2hfv n GLN 54 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hfv n GLN 54 Cb 0.16 -1.23 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 2hfv n GLN 54 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2hfv n ASN 55 N -2.35 0.00 -0.47 1.69 5.15 -1.26 -4.85 115.26 113.17 2hfv n ASN 55 Ca -0.15 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.89 2hfv n ASN 55 Cb 0.78 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.00 2hfv n ASN 55 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2hfv n MET 56 N 0.00 -1.08 -2.71 1.20 2.81 -1.26 -4.62 117.12 111.45 2hfv n MET 56 Ca 0.00 0.89 -0.42 0.00 -1.81 0.00 0.00 57.70 56.36 2hfv n MET 56 Cb 0.00 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 2hfv n MET 56 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2hfv s SER 57 N -5.07 6.57 0.16 7.83 0.01 -1.26 -4.99 113.70 116.96 2hfv s SER 57 Ca 0.00 -1.75 -0.30 0.00 1.31 0.00 0.00 55.95 55.21 2hfv s SER 57 Cb 0.00 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 2hfv s SER 57 CO 0.00 -1.31 1.10 -0.51 0.41 0.00 0.00 173.24 172.94 2hfv s ILE 58 N 3.98 3.91 0.05 1.44 2.07 -1.26 -4.90 121.20 126.50 2hfv s ILE 58 Ca 0.41 1.62 0.00 0.00 -1.41 0.00 0.00 60.65 61.27 2hfv s ILE 58 Cb -0.02 -4.03 0.00 0.00 0.13 0.00 0.00 42.46 38.54 2hfv s ILE 58 CO -0.09 0.26 0.00 -0.11 -1.91 0.00 0.00 174.94 173.09 2hfv n LEU 59 N 2.53 0.28 -4.19 8.50 7.94 -1.26 -5.03 117.00 125.77 2hfv n LEU 59 Ca 0.03 0.08 -0.31 0.00 -1.11 0.00 0.00 56.01 54.71 2hfv n LEU 59 Cb 0.46 -0.05 -0.17 0.00 0.53 0.00 0.00 43.42 44.20 2hfv n LEU 59 CO 0.54 -0.36 -0.54 -1.61 -1.11 0.00 0.00 177.39 174.31 2hfv s GLU 60 N -2.00 2.79 -0.12 1.96 2.02 -1.26 -5.13 118.70 116.95 2hfv s GLU 60 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 2hfv s GLU 60 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 2hfv s GLU 60 CO 0.00 0.17 -0.10 0.20 0.02 0.00 0.00 175.26 175.55 2hfv s GLY 61 N 0.36 1.60 -0.19 -1.39 0.00 -1.26 -5.09 107.32 101.34 2hfv s GLY 61 Ca -0.17 -0.88 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 2hfv s GLY 61 CO 0.08 -0.25 0.94 -0.45 0.00 0.00 0.00 173.10 173.42 2hfv s SER 62 N 0.16 -0.46 0.55 1.64 0.15 -1.26 -5.16 113.70 109.33 2hfv s SER 62 Ca -0.06 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2hfv s SER 62 Cb -0.15 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2hfv s SER 62 CO 0.04 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.34 2hfv n LEU 63 N 1.31 0.00 -3.93 3.45 4.77 -1.26 -4.80 117.00 116.54 2hfv n LEU 63 Ca -0.12 0.43 -0.28 0.00 -0.03 0.00 0.00 56.01 56.01 2hfv n LEU 63 Cb 0.57 -1.21 -0.17 0.00 -2.33 0.00 0.00 43.42 40.28 2hfv n LEU 63 CO 0.12 -1.48 -0.45 -0.83 -1.33 0.00 0.00 177.39 173.43 2hfv s GLY 64 N -5.10 0.95 0.00 -0.72 0.00 -1.26 -4.20 107.32 96.99 2hfv s GLY 64 Ca 0.00 -0.73 0.17 0.00 0.00 0.00 0.00 44.72 44.16 2hfv s GLY 64 CO 0.00 0.78 0.80 3.33 0.00 0.00 0.00 173.10 178.01 2hfv n VAL 65 N 4.88 0.00 -4.50 1.40 0.24 -1.26 -4.66 118.33 114.43 2hfv n VAL 65 Ca -0.13 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.34 61.64 2hfv n VAL 65 Cb 0.49 1.11 -0.17 0.00 -1.47 0.00 0.00 33.84 33.81 2hfv n VAL 65 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2hfv s ILE 66 N -2.26 1.80 -1.03 1.34 1.01 -1.26 -5.06 121.20 115.73 2hfv s ILE 66 Ca 0.11 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 2hfv s ILE 66 Cb 0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2hfv s ILE 66 CO 0.55 0.50 1.87 -2.84 0.00 0.00 0.00 174.94 175.02 2hfv s PRO 67 N 0.97 2.76 -0.07 2.79 0.02 -1.26 -4.52 135.00 135.69 2hfv s PRO 67 Ca -0.05 -0.79 -0.15 0.00 0.02 0.00 0.00 61.00 60.03 2hfv s PRO 67 Cb -0.15 -5.19 -0.05 0.00 0.02 0.00 0.00 34.50 29.13 2hfv s PRO 67 CO -0.03 -3.35 0.38 0.50 -0.33 0.00 0.00 177.00 174.17 2hfv s ARG 68 N 6.40 4.06 0.07 5.54 6.06 -0.47 -4.86 118.95 135.74 2hfv s ARG 68 Ca 0.66 0.32 0.09 0.00 -2.50 0.00 0.00 55.73 54.30 2hfv s ARG 68 Cb -0.03 -3.31 -0.03 0.00 0.06 0.00 0.00 34.95 31.63 2hfv s ARG 68 CO 0.03 0.47 -0.24 -0.98 -2.50 0.00 0.00 175.30 172.08 2hfv s ARG 69 N -0.34 1.77 -0.23 5.12 1.70 -1.26 -2.30 118.95 123.41 2hfv s ARG 69 Ca 0.22 -1.14 -0.07 0.00 -0.47 0.00 0.00 55.73 54.27 2hfv s ARG 69 Cb -0.15 -2.01 -0.03 0.00 -0.57 0.00 0.00 34.95 32.18 2hfv s ARG 69 CO 0.10 0.50 0.07 0.08 -1.08 0.00 0.00 175.30 174.97 2hfv s VAL 70 N -0.90 4.49 0.17 4.99 1.01 -0.00 -4.80 120.40 125.35 2hfv s VAL 70 Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2hfv s VAL 70 Cb -0.10 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2hfv s VAL 70 CO 0.04 0.37 0.19 -0.76 0.00 0.00 0.00 175.10 174.94 2hfv s LEU 71 N 1.22 3.98 0.20 3.92 1.02 -0.79 0.16 118.68 128.38 2hfv s LEU 71 Ca 0.05 -0.04 -0.00 0.00 0.02 0.00 0.00 54.13 54.15 2hfv s LEU 71 Cb -0.14 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 2hfv s LEU 71 CO 0.03 0.05 0.09 0.68 0.02 0.00 0.00 176.35 177.23 2hfv s VAL 72 N -1.78 0.26 0.73 -1.59 -7.23 0.88 0.84 120.40 112.50 2hfv s VAL 72 Ca 0.32 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 2hfv s VAL 72 Cb -0.10 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2hfv s VAL 72 CO 0.25 -0.14 1.07 -1.00 -0.31 0.00 0.00 175.10 174.97 2hfv s HIS 73 N -3.97 2.92 -0.89 2.82 3.76 -1.22 -1.13 115.29 117.58 2hfv s HIS 73 Ca 0.34 1.43 0.19 0.00 -0.15 0.00 0.00 55.06 56.88 2hfv s HIS 73 Cb 0.07 -2.95 0.81 0.00 1.11 0.00 0.00 32.58 31.62 2hfv s HIS 73 CO 0.10 -1.46 1.61 0.39 -0.85 0.00 0.00 174.74 174.52 2hfv n GLU 74 N -3.28 0.05 0.05 1.40 1.02 -1.26 -1.03 120.64 117.58 2hfv n GLU 74 Ca 0.08 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.50 2hfv n GLU 74 Cb 0.54 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2hfv n GLU 74 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2hfv n ASP 75 N -1.67 0.72 0.02 1.62 8.00 -1.26 -4.05 116.55 119.92 2hfv n ASP 75 Ca 0.04 0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.95 2hfv n ASP 75 Cb 0.22 0.51 0.05 0.00 -0.02 0.00 0.00 41.12 41.89 2hfv n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2hfv n ASP 76 N -2.73 0.64 0.10 -2.24 9.92 -0.49 -4.43 116.55 117.32 2hfv n ASP 76 Ca -0.07 -0.29 -0.14 0.00 -0.53 0.00 0.00 54.79 53.77 2hfv n ASP 76 Cb 0.72 0.70 -0.07 0.00 -0.64 0.00 0.00 41.12 41.82 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2hfv h LEU 77 N 0.00 -1.18 -0.81 0.64 7.12 -1.22 0.10 115.31 119.96 2hfv h LEU 77 Ca 0.00 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 2hfv h LEU 77 Cb 0.67 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 41.21 2hfv h LEU 77 CO 0.00 -0.47 0.42 0.00 -0.13 0.00 0.00 178.44 178.26 2hfv h ALA 78 N -0.09 1.04 -0.21 1.25 0.00 -1.82 -2.16 119.26 117.26 2hfv h ALA 78 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2hfv h ALA 78 Cb 0.66 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2hfv h ALA 78 CO -0.25 0.58 0.01 0.78 0.00 0.00 0.00 179.25 180.37 2hfv h GLY 79 N 1.14 0.40 1.02 0.00 0.00 -1.67 -2.48 103.07 101.46 2hfv h GLY 79 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2hfv h GLY 79 CO -0.04 0.26 0.45 0.00 0.00 0.00 0.00 176.54 177.20 2hfv h ALA 80 N 0.81 1.03 0.30 3.60 0.00 -0.67 -1.30 119.26 123.03 2hfv h ALA 80 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2hfv h ALA 80 Cb 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hfv h ALA 80 CO 0.01 0.53 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 2hfv h ARG 81 N 1.11 -0.39 -0.19 0.00 3.08 -1.29 -1.71 114.38 114.99 2hfv h ARG 81 Ca 0.28 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 2hfv h ARG 81 Cb 0.02 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2hfv h ARG 81 CO -0.05 -0.24 -0.11 0.00 -1.07 0.00 0.00 179.97 178.50 2hfv h ARG 82 N -0.43 0.30 0.39 0.04 3.08 -1.31 -0.38 114.38 116.08 2hfv h ARG 82 Ca -0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2hfv h ARG 82 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2hfv h ARG 82 CO 0.07 0.42 -0.19 1.25 -1.07 0.00 0.00 179.97 180.45 2hfv h LEU 83 N 0.29 -0.44 -1.32 3.04 5.85 -1.00 -1.61 115.31 120.11 2hfv h LEU 83 Ca 0.06 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2hfv h LEU 83 Cb 0.37 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2hfv h LEU 83 CO 0.02 -0.18 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.66 2hfv h LEU 84 N -0.70 0.18 -0.27 2.25 4.07 -1.14 -1.92 115.31 117.77 2hfv h LEU 84 Ca -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 2hfv h LEU 84 Cb 0.50 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2hfv h LEU 84 CO 0.09 0.41 0.08 0.74 -1.08 0.00 0.00 178.44 178.67 2hfv h THR 85 N 0.18 1.21 0.00 0.22 2.02 -0.96 0.15 112.91 115.72 2hfv h THR 85 Ca 0.03 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 2hfv h THR 85 Cb 0.48 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2hfv h THR 85 CO 0.03 0.22 -0.38 -0.78 0.37 0.00 0.00 175.52 174.98 2hfv h ASP 86 N 0.28 0.00 1.20 4.18 3.58 -1.03 -1.59 116.42 123.03 2hfv h ASP 86 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2hfv h ASP 86 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2hfv h ASP 86 CO -0.00 0.38 0.00 0.00 -2.88 0.00 0.00 179.24 176.74 2hfv n ALA 87 N -2.46 2.05 -0.52 -0.78 0.00 -0.74 -4.89 120.51 113.17 2hfv n ALA 87 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hfv n ALA 87 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.83 0.74 1.39 0.00 0.00 -0.60 -4.93 105.19 102.62 2hfv n GLY 88 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 4.09 -4.58 0.99 4.77 0.43 -4.80 117.00 117.91 2hfv n LEU 89 Ca 0.00 -2.06 -0.31 0.00 -0.03 0.00 0.00 56.01 53.61 2hfv n LEU 89 Cb 0.00 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2hfv n LEU 89 CO 0.00 0.73 1.58 0.00 -1.33 0.00 0.00 177.39 178.37 2hfv s ALA 90 N -1.73 2.06 0.20 -1.18 0.00 -1.13 -4.17 121.76 115.81 2hfv s ALA 90 Ca 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2hfv s ALA 90 Cb 0.28 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2hfv s ALA 90 CO 0.22 -4.88 0.00 1.58 0.00 0.00 0.00 175.76 172.68 2hfv n HIS 91 N 13.33 -1.61 0.89 0.00 -0.00 -1.26 -4.85 115.22 121.72 2hfv n HIS 91 Ca 0.45 0.29 0.08 0.00 -0.00 0.00 0.00 57.72 58.54 2hfv n HIS 91 Cb 0.46 0.43 0.25 0.00 -0.00 0.00 0.00 29.99 31.13 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 -3.34 1.88 -1.72 1.57 -0.58 -1.26 -4.88 120.64 112.31 2hfv n GLU 92 Ca 0.00 -1.35 -0.42 0.00 -0.42 0.00 0.00 57.16 54.97 2hfv n GLU 92 Cb 0.02 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.22 4.32 -0.05 -4.62 1.02 -1.26 -3.27 118.68 113.59 2hfv s LEU 93 Ca 0.29 2.52 0.06 0.00 0.02 0.00 0.00 54.13 57.02 2hfv s LEU 93 Cb 0.15 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.83 2hfv s LEU 93 CO 0.21 -1.13 -0.23 -0.13 0.02 0.00 0.00 176.35 175.09 2hfv s ARG 94 N 4.59 2.35 -0.49 1.70 0.52 0.94 -4.97 118.95 123.60 2hfv s ARG 94 Ca 0.87 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 2hfv s ARG 94 Cb -0.40 -2.02 0.18 0.00 0.52 0.00 0.00 34.95 33.24 2hfv s ARG 94 CO 0.39 0.36 0.65 -1.12 0.02 0.00 0.00 175.30 175.60 2hfv s SER 95 N -0.15 -0.93 -0.12 0.23 0.01 -1.26 -4.48 113.70 107.00 2hfv s SER 95 Ca -0.03 -1.87 -0.24 0.00 1.31 0.00 0.00 55.95 55.12 2hfv s SER 95 Cb -0.13 1.50 -0.03 0.00 0.21 0.00 0.00 66.02 67.57 2hfv s SER 95 CO 0.03 -0.08 0.76 -0.62 0.41 0.00 0.00 173.24 173.74 2hfv s ASP 96 N 0.84 6.95 0.00 2.44 2.15 -1.26 -5.23 116.67 122.56 2hfv s ASP 96 Ca 0.29 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.43 2hfv s ASP 96 Cb -0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2hfv s ASP 96 CO -0.07 -0.27 0.35 -0.90 -0.17 0.00 0.00 175.17 174.11