#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 -0.03 3.48 -5.12 0.00 -1.26 -5.07 105.19 97.19 2hfv n GLY 2 Ca 0.00 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2hfv n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hfv s SER 3 N -0.44 6.89 -0.21 1.61 1.04 -1.26 -4.94 113.70 116.40 2hfv s SER 3 Ca 0.06 -2.59 0.01 0.00 0.48 0.00 0.00 55.95 53.91 2hfv s SER 3 Cb 0.16 -2.43 0.05 0.00 0.10 0.00 0.00 66.02 63.90 2hfv s SER 3 CO -0.04 -0.92 -0.10 -0.55 0.98 0.00 0.00 173.24 172.61 2hfv s SER 4 N 3.32 3.51 -0.29 7.02 0.15 -1.26 -5.10 113.70 121.04 2hfv s SER 4 Ca 0.41 -0.95 -0.09 0.00 0.70 0.00 0.00 55.95 56.02 2hfv s SER 4 Cb -0.02 -1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 2hfv s SER 4 CO -0.02 -0.16 0.13 -2.28 1.20 0.00 0.00 173.24 172.11 2hfv s HIS 5 N 1.38 3.15 -0.24 3.44 5.04 -1.26 -5.04 115.29 121.76 2hfv s HIS 5 Ca -0.02 -0.48 -0.03 0.00 -1.54 0.00 0.00 55.06 52.99 2hfv s HIS 5 Cb -0.17 -2.32 0.11 0.00 0.04 0.00 0.00 32.58 30.24 2hfv s HIS 5 CO -0.08 -0.40 0.24 -1.58 -2.34 0.00 0.00 174.74 170.58 2hfv s HIS 6 N 1.62 -0.31 -0.06 3.88 2.46 -1.26 -4.96 115.29 116.66 2hfv s HIS 6 Ca 0.05 0.01 0.02 0.00 0.47 0.00 0.00 55.06 55.61 2hfv s HIS 6 Cb -0.16 -0.43 0.07 0.00 -0.13 0.00 0.00 32.58 31.93 2hfv s HIS 6 CO 0.06 -0.74 0.74 1.58 -2.47 0.00 0.00 174.74 173.91 2hfv n HIS 7 N 5.31 -0.36 -2.74 3.88 -0.00 -1.26 -5.13 115.22 114.92 2hfv n HIS 7 Ca -0.04 -0.50 -0.42 0.00 -0.00 0.00 0.00 57.72 56.76 2hfv n HIS 7 Cb 0.48 0.62 -0.03 0.00 -0.00 0.00 0.00 29.99 31.05 2hfv n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hfv s HIS 8 N 0.02 3.64 -0.20 1.57 2.46 -1.26 -5.03 115.29 116.49 2hfv s HIS 8 Ca 0.02 1.64 -0.04 0.00 0.47 0.00 0.00 55.06 57.14 2hfv s HIS 8 Cb 0.08 -3.10 0.08 0.00 -0.13 0.00 0.00 32.58 29.51 2hfv s HIS 8 CO -0.02 -0.02 0.13 -1.58 -2.47 0.00 0.00 174.74 170.77 2hfv s HIS 9 N 1.09 0.12 -0.30 3.88 5.65 -1.26 -5.10 115.29 119.37 2hfv s HIS 9 Ca 0.50 -0.33 -0.28 0.00 0.25 0.00 0.00 55.06 55.21 2hfv s HIS 9 Cb -0.20 -0.67 -0.05 0.00 -1.18 0.00 0.00 32.58 30.48 2hfv s HIS 9 CO 0.26 -0.60 2.22 -1.58 -0.65 0.00 0.00 174.74 174.39 2hfv s HIS 10 N 2.17 1.21 -0.43 3.88 2.46 -1.26 -4.39 115.29 118.92 2hfv s HIS 10 Ca 0.04 0.78 0.04 0.00 0.47 0.00 0.00 55.06 56.39 2hfv s HIS 10 Cb -0.16 -3.87 0.02 0.00 -0.13 0.00 0.00 32.58 28.44 2hfv s HIS 10 CO -0.16 -3.62 0.57 0.43 -2.47 0.00 0.00 174.74 169.50 2hfv n SER 11 N 12.54 1.19 -4.48 9.88 7.64 -1.19 -4.89 113.62 134.31 2hfv n SER 11 Ca 0.31 -1.10 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 2hfv n SER 11 Cb 0.47 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2hfv n SER 11 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2hfv s SER 12 N -0.41 6.64 -0.58 6.43 1.04 -0.70 -4.88 113.70 121.25 2hfv s SER 12 Ca 0.04 -2.02 0.06 0.00 0.48 0.00 0.00 55.95 54.51 2hfv s SER 12 Cb 0.03 -2.44 0.31 0.00 0.10 0.00 0.00 66.02 64.02 2hfv s SER 12 CO 0.06 -1.12 0.84 0.61 0.98 0.00 0.00 173.24 174.61 2hfv n GLY 13 N 5.64 5.07 3.20 7.32 0.00 -1.26 -4.98 105.19 120.19 2hfv n GLY 13 Ca 0.27 -2.65 0.04 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.95 0.48 -0.31 1.61 3.52 -1.26 -5.10 118.95 114.94 2hfv s ARG 14 Ca 0.45 0.90 0.02 0.00 -0.13 0.00 0.00 55.73 56.97 2hfv s ARG 14 Cb 0.24 0.51 0.09 0.00 -1.56 0.00 0.00 34.95 34.22 2hfv s ARG 14 CO -0.09 -0.48 0.02 -1.83 -0.81 0.00 0.00 175.30 172.11 2hfv s GLU 15 N 2.87 1.45 -0.01 5.12 4.04 -1.26 -4.85 118.70 126.05 2hfv s GLU 15 Ca 0.14 -1.52 0.04 0.00 0.04 0.00 0.00 54.97 53.67 2hfv s GLU 15 Cb -0.13 -2.84 -0.06 0.00 0.02 0.00 0.00 34.13 31.12 2hfv s GLU 15 CO -0.19 -0.85 0.08 -1.71 -1.84 0.00 0.00 175.26 170.75 2hfv n ASN 16 N 4.45 4.05 0.00 0.83 4.05 -1.26 -5.05 115.26 122.34 2hfv n ASN 16 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2hfv n ASN 16 Cb 0.42 1.08 0.00 0.00 1.23 0.00 0.00 39.78 42.52 2hfv n ASN 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2hfv n LEU 17 N -1.73 0.00 -3.63 1.20 4.32 -1.26 -5.16 117.00 110.74 2hfv n LEU 17 Ca -0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.92 2hfv n LEU 17 Cb 0.20 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.94 2hfv n LEU 17 CO 0.09 0.00 0.41 -0.47 -1.22 0.00 0.00 177.39 176.20 2hfv s TYR 18 N 1.57 -0.99 -0.04 -1.77 5.04 -1.26 -4.96 117.35 114.94 2hfv s TYR 18 Ca 0.00 1.93 0.03 0.00 -2.44 0.00 0.00 57.07 56.59 2hfv s TYR 18 Cb 0.00 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.91 2hfv s TYR 18 CO 0.00 -0.49 -0.11 0.12 -1.34 0.00 0.00 175.55 173.73 2hfv s PHE 19 N 1.77 1.14 -0.42 4.97 5.36 -1.26 -4.94 117.98 124.60 2hfv s PHE 19 Ca -0.09 -0.32 -0.29 0.00 -0.96 0.00 0.00 56.93 55.27 2hfv s PHE 19 Cb -0.06 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2hfv s PHE 19 CO -0.19 -0.14 1.20 1.14 -1.46 0.00 0.00 175.22 175.77 2hfv s GLN 20 N 0.28 3.77 0.00 10.12 -2.07 -1.26 -4.80 119.66 125.70 2hfv s GLN 20 Ca -0.05 0.79 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 2hfv s GLN 20 Cb -0.11 -3.90 0.00 0.00 -1.09 0.00 0.00 33.01 27.91 2hfv s GLN 20 CO 0.01 -1.32 0.00 0.41 -1.32 0.00 0.00 175.29 173.08 2hfv n GLY 21 N 4.68 -0.00 0.00 2.60 0.00 -1.26 -5.11 105.19 106.10 2hfv n GLY 21 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 9.00 0.00 -4.87 1.61 8.25 -1.26 -4.86 115.22 123.09 2hfv n HIS 22 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2hfv n HIS 22 Cb 0.00 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.38 2.68 0.15 2.41 1.02 -1.26 -0.60 118.68 122.70 2hfv s LEU 23 Ca 0.00 -0.25 0.07 0.00 0.02 0.00 0.00 54.13 53.97 2hfv s LEU 23 Cb 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 2hfv s LEU 23 CO 0.00 0.33 -0.16 -0.13 0.02 0.00 0.00 176.35 176.41 2hfv s ARG 24 N -0.85 1.16 -0.23 1.70 0.52 0.31 -4.94 118.95 116.62 2hfv s ARG 24 Ca 0.12 -1.36 -0.29 0.00 -0.52 0.00 0.00 55.73 53.68 2hfv s ARG 24 Cb -0.11 -1.09 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 2hfv s ARG 24 CO 0.01 0.21 1.31 -2.00 0.02 0.00 0.00 175.30 174.86 2hfv s GLU 25 N -2.89 4.06 -0.12 3.54 2.12 -1.26 -2.15 118.70 121.99 2hfv s GLU 25 Ca 0.14 1.49 -0.18 0.00 0.36 0.00 0.00 54.97 56.77 2hfv s GLU 25 Cb -0.04 -3.84 -0.26 0.00 0.26 0.00 0.00 34.13 30.25 2hfv s GLU 25 CO 0.05 -0.94 0.52 -0.07 -0.54 0.00 0.00 175.26 174.28 2hfv h LEU 26 N 10.40 0.28 -7.72 2.70 3.38 -0.48 -3.39 115.31 120.48 2hfv h LEU 26 Ca -0.27 -0.81 -0.23 0.00 0.09 0.00 0.00 57.88 56.66 2hfv h LEU 26 Cb 1.11 -0.09 -0.28 0.00 0.09 0.00 0.00 40.66 41.48 2hfv h LEU 26 CO 1.00 1.54 -0.72 -0.22 0.09 0.00 0.00 178.44 180.13 2hfv s LEU 27 N -7.66 1.97 -0.49 1.67 2.96 -1.04 -0.66 118.68 115.43 2hfv s LEU 27 Ca -0.21 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2hfv s LEU 27 Cb 0.04 0.00 0.13 0.00 0.50 0.00 0.00 46.19 46.86 2hfv s LEU 27 CO 0.73 -0.00 0.26 -0.13 -1.32 0.00 0.00 176.35 175.89 2hfv s ARG 28 N 0.03 2.09 -0.24 1.98 0.52 -1.05 -2.28 118.95 119.99 2hfv s ARG 28 Ca -0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 55.73 52.95 2hfv s ARG 28 Cb -0.00 -3.51 0.08 0.00 0.52 0.00 0.00 34.95 32.03 2hfv s ARG 28 CO -0.00 -1.09 0.10 0.99 0.02 0.00 0.00 175.30 175.31 2hfv s THR 29 N 0.42 0.18 -2.33 0.02 2.01 -0.39 -4.92 115.64 110.63 2hfv s THR 29 Ca 0.13 -0.65 0.28 0.00 0.31 0.00 0.00 61.69 61.76 2hfv s THR 29 Cb -0.22 -0.98 0.50 0.00 0.01 0.00 0.00 72.50 71.81 2hfv s THR 29 CO -0.04 -0.50 1.72 -0.46 -0.69 0.00 0.00 174.62 174.66 2hfv n ASN 30 N 5.16 1.36 0.05 3.53 6.94 -1.26 -2.79 115.26 128.25 2hfv n ASN 30 Ca -0.06 -1.35 -0.04 0.00 -0.02 0.00 0.00 54.58 53.10 2hfv n ASN 30 Cb 0.45 0.02 0.18 0.00 -2.36 0.00 0.00 39.78 38.07 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2hfv h ASP 31 N 2.05 0.41 0.00 0.53 1.82 -1.92 -3.46 116.42 115.85 2hfv h ASP 31 Ca 0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2hfv h ASP 31 Cb 0.49 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2hfv h ASP 31 CO 0.00 0.76 0.00 0.00 -1.61 0.00 0.00 179.24 178.39 2hfv n ALA 32 N -2.49 0.00 -0.01 -0.78 0.00 -1.26 -4.47 120.51 111.51 2hfv n ALA 32 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2hfv n ALA 32 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 1.27 -0.89 0.00 2.07 -1.95 -1.59 116.25 115.15 2hfv h VAL 33 Ca 0.00 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2hfv h VAL 33 Cb 0.00 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2hfv h VAL 33 CO 0.00 0.22 0.58 0.25 0.02 0.00 0.00 177.57 178.64 2hfv h LEU 34 N -0.22 0.85 -1.40 2.57 5.85 -1.99 -1.18 115.31 119.80 2hfv h LEU 34 Ca 0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2hfv h LEU 34 Cb 0.36 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2hfv h LEU 34 CO 0.00 0.53 -0.06 0.25 -0.34 0.00 0.00 178.44 178.83 2hfv h LEU 35 N 0.96 0.30 -1.17 2.25 6.46 -1.81 -2.32 115.31 119.99 2hfv h LEU 35 Ca 0.39 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 2hfv h LEU 35 Cb 0.27 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2hfv h LEU 35 CO -0.15 0.41 0.31 0.28 -0.62 0.00 0.00 178.44 178.66 2hfv h SER 36 N 0.31 0.80 -0.29 1.25 0.02 -0.22 0.32 113.55 115.74 2hfv h SER 36 Ca 0.07 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2hfv h SER 36 Cb 0.31 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2hfv h SER 36 CO 0.01 0.67 -0.23 0.00 -1.14 0.00 0.00 176.83 176.14 2hfv h ALA 37 N 1.45 0.42 -0.42 3.77 0.00 -1.38 -2.11 119.26 120.99 2hfv h ALA 37 Ca 0.22 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2hfv h ALA 37 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 37 CO -0.03 0.40 -0.08 0.28 0.00 0.00 0.00 179.25 179.82 2hfv h VAL 38 N 0.42 1.27 -0.48 0.00 2.07 -1.22 -2.97 116.25 115.35 2hfv h VAL 38 Ca 0.05 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2hfv h VAL 38 Cb 0.79 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2hfv h VAL 38 CO 0.06 0.39 0.26 1.23 0.02 0.00 0.00 177.57 179.53 2hfv h GLY 39 N 0.61 0.70 1.73 2.17 0.00 -0.34 -1.36 103.07 106.58 2hfv h GLY 39 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2hfv h GLY 39 CO 0.04 0.28 -0.12 0.00 0.00 0.00 0.00 176.54 176.74 2hfv h ALA 40 N 1.63 1.42 -0.02 3.60 0.00 -1.23 0.34 119.26 125.01 2hfv h ALA 40 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2hfv h ALA 40 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hfv h ALA 40 CO -0.03 0.40 -0.02 -0.07 0.00 0.00 0.00 179.25 179.54 2hfv h LEU 41 N 0.31 0.05 0.45 0.00 3.38 -1.17 -0.64 115.31 117.70 2hfv h LEU 41 Ca 0.06 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2hfv h LEU 41 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2hfv h LEU 41 CO 0.02 0.50 -0.22 -0.07 0.09 0.00 0.00 178.44 178.77 2hfv h LEU 42 N -0.40 -0.52 -1.82 1.67 3.38 -1.19 -2.85 115.31 113.58 2hfv h LEU 42 Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2hfv h LEU 42 Cb 0.49 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2hfv h LEU 42 CO 0.00 -0.27 -0.14 0.44 0.09 0.00 0.00 178.44 178.57 2hfv h ASP 43 N -0.75 0.00 0.01 -0.43 5.19 -1.04 0.20 116.42 119.60 2hfv h ASP 43 Ca -0.06 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2hfv h ASP 43 Cb 0.53 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 2hfv h ASP 43 CO 0.10 0.14 -0.04 1.23 -3.12 0.00 0.00 179.24 177.55 2hfv h GLY 44 N 0.94 0.09 -1.33 2.75 0.00 -0.87 -1.61 103.07 103.04 2hfv h GLY 44 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2hfv h GLY 44 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2hfv n ALA 45 N -2.52 2.25 -3.71 3.60 0.00 -0.87 -4.91 120.51 114.35 2hfv n ALA 45 Ca -0.02 -1.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.12 2hfv n ALA 45 Cb 0.15 -0.47 0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 0.63 -4.29 0.21 0.00 2.03 -0.61 -1.71 116.55 112.82 2hfv n ASP 46 Ca 0.12 -0.69 0.06 0.00 0.52 0.00 0.00 54.79 54.81 2hfv n ASP 46 Cb 0.42 -4.47 0.47 0.00 -0.72 0.00 0.00 41.12 36.82 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 -2.23 0.95 0.00 5.18 2.04 -0.89 -3.40 117.51 119.16 2hfv h ILE 47 Ca -0.58 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2hfv h ILE 47 Cb 1.37 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2hfv h ILE 47 CO 0.59 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.63 2hfv n GLY 48 N -0.39 -3.68 3.58 5.37 0.00 -1.26 -4.89 105.19 103.93 2hfv n GLY 48 Ca -0.01 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.88 -0.85 -0.48 1.61 -3.43 -1.26 -4.60 115.29 105.40 2hfv s HIS 49 Ca 0.00 1.58 -0.10 0.00 -0.80 0.00 0.00 55.06 55.74 2hfv s HIS 49 Cb 0.00 0.51 0.12 0.00 -1.43 0.00 0.00 32.58 31.78 2hfv s HIS 49 CO 0.00 -0.42 0.37 -1.17 -2.00 0.00 0.00 174.74 171.51 2hfv s LEU 50 N 2.01 5.76 0.45 5.38 2.96 -0.10 -4.94 118.68 130.19 2hfv s LEU 50 Ca -0.07 -1.89 0.06 0.00 -0.22 0.00 0.00 54.13 52.01 2hfv s LEU 50 Cb -0.06 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2hfv s LEU 50 CO -0.17 -0.71 0.12 0.68 -1.32 0.00 0.00 176.35 174.94 2hfv s VAL 51 N 1.40 1.91 0.00 1.68 -7.23 -1.26 -0.14 120.40 116.76 2hfv s VAL 51 Ca 0.05 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2hfv s VAL 51 Cb -0.27 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2hfv s VAL 51 CO -0.00 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 174.97 2hfv n LEU 52 N -1.22 0.00 0.00 1.32 7.99 -1.17 -4.95 117.00 118.96 2hfv n LEU 52 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 2hfv n LEU 52 Cb 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 2hfv n LEU 52 CO 0.44 -0.88 0.00 -0.67 -1.51 0.00 0.00 177.39 174.78 2hfv n ASP 53 N -1.40 0.00 -3.76 -1.43 2.03 -1.26 -4.51 116.55 106.22 2hfv n ASP 53 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2hfv n ASP 53 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2hfv s GLN 54 N -1.00 0.26 -0.24 -0.67 -0.44 -1.26 -5.15 119.66 111.16 2hfv s GLN 54 Ca 0.00 0.44 -0.09 0.00 -2.50 0.00 0.00 55.36 53.21 2hfv s GLN 54 Cb 0.00 0.03 -0.04 0.00 -1.64 0.00 0.00 33.01 31.36 2hfv s GLN 54 CO 0.00 -0.09 0.11 -0.80 0.50 0.00 0.00 175.29 175.01 2hfv s ASN 55 N 0.64 5.62 0.06 6.67 -0.87 -1.26 -5.05 114.94 120.75 2hfv s ASN 55 Ca -0.04 -0.05 -0.01 0.00 -1.57 0.00 0.00 52.86 51.19 2hfv s ASN 55 Cb -0.05 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 2hfv s ASN 55 CO -0.04 0.02 0.11 1.15 -2.57 0.00 0.00 177.10 175.77 2hfv n MET 56 N 4.57 0.15 -1.93 -0.60 0.00 -1.26 -5.14 117.12 112.92 2hfv n MET 56 Ca -0.15 -0.46 -0.41 0.00 0.00 0.00 0.00 57.70 56.68 2hfv n MET 56 Cb 0.52 0.48 -0.01 0.00 0.00 0.00 0.00 33.22 34.21 2hfv n MET 56 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2hfv s SER 57 N -1.38 6.53 -0.01 3.17 0.01 -1.26 -4.96 113.70 115.81 2hfv s SER 57 Ca 0.04 2.86 -0.30 0.00 1.31 0.00 0.00 55.95 59.86 2hfv s SER 57 Cb -0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2hfv s SER 57 CO 0.03 -0.75 1.06 -0.51 0.41 0.00 0.00 173.24 173.48 2hfv s ILE 58 N -0.75 4.59 -0.05 1.44 2.07 -1.26 -5.03 121.20 122.22 2hfv s ILE 58 Ca 0.54 1.87 -0.02 0.00 -1.41 0.00 0.00 60.65 61.63 2hfv s ILE 58 Cb -0.44 -4.20 0.04 0.00 0.13 0.00 0.00 42.46 37.99 2hfv s ILE 58 CO 0.54 0.11 0.11 -0.22 -1.91 0.00 0.00 174.94 173.56 2hfv s LEU 59 N 1.31 0.46 0.44 8.50 1.98 -1.26 -5.16 118.68 124.95 2hfv s LEU 59 Ca 0.53 0.20 0.03 0.00 -2.89 0.00 0.00 54.13 52.01 2hfv s LEU 59 Cb -0.23 0.13 -0.02 0.00 0.66 0.00 0.00 46.19 46.74 2hfv s LEU 59 CO 0.26 -0.19 0.11 -1.83 -1.89 0.00 0.00 176.35 172.80 2hfv s GLU 60 N 1.67 2.03 0.00 1.98 -1.05 -1.26 -5.05 118.70 117.03 2hfv s GLU 60 Ca -0.03 -2.26 0.00 0.00 -0.15 0.00 0.00 54.97 52.53 2hfv s GLU 60 Cb -0.12 -0.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.75 2hfv s GLU 60 CO -0.05 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.09 2hfv n GLY 61 N -1.03 0.73 2.94 -3.83 0.00 -1.26 -4.95 105.19 97.80 2hfv n GLY 61 Ca -0.10 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.00 4.90 -0.30 1.61 0.01 -1.26 -4.95 113.70 109.71 2hfv s SER 62 Ca 0.00 -3.69 -0.11 0.00 1.31 0.00 0.00 55.95 53.46 2hfv s SER 62 Cb 0.00 -1.68 0.19 0.00 0.21 0.00 0.00 66.02 64.74 2hfv s SER 62 CO 0.00 -0.12 1.07 -0.22 0.41 0.00 0.00 173.24 174.37 2hfv s LEU 63 N -1.24 -0.34 -0.92 2.44 2.96 -1.26 -5.08 118.68 115.24 2hfv s LEU 63 Ca 0.24 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2hfv s LEU 63 Cb -0.09 1.01 0.31 0.00 0.50 0.00 0.00 46.19 47.93 2hfv s LEU 63 CO -0.13 -0.06 1.45 0.61 -1.32 0.00 0.00 176.35 176.90 2hfv n GLY 64 N 4.73 5.60 0.09 7.98 0.00 -1.26 -4.69 105.19 117.65 2hfv n GLY 64 Ca 0.09 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.33 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 0.44 1.65 -3.38 1.61 0.31 -1.26 -4.75 118.33 112.95 2hfv n VAL 65 Ca 0.36 -0.77 -0.44 0.00 -0.01 0.00 0.00 64.34 63.49 2hfv n VAL 65 Cb 0.32 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.59 5.19 -0.59 2.52 1.09 -1.26 -5.03 121.20 120.52 2hfv s ILE 66 Ca -0.08 -0.73 -0.26 0.00 -1.10 0.00 0.00 60.65 58.47 2hfv s ILE 66 Cb 0.08 -4.05 0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2hfv s ILE 66 CO 0.81 -0.47 1.11 -2.16 -0.10 0.00 0.00 174.94 174.13 2hfv s PRO 67 N 1.83 3.39 -0.19 2.79 0.04 -1.26 -4.62 135.00 136.98 2hfv s PRO 67 Ca 0.07 -0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 2hfv s PRO 67 Cb -0.21 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 2hfv s PRO 67 CO 0.10 -1.68 1.40 0.50 0.04 0.00 0.00 177.00 177.36 2hfv s ARG 68 N 4.68 4.06 -0.09 4.56 3.52 -1.12 -4.83 118.95 129.73 2hfv s ARG 68 Ca 0.37 1.65 0.01 0.00 -0.13 0.00 0.00 55.73 57.63 2hfv s ARG 68 Cb -0.10 -3.88 -0.02 0.00 -1.56 0.00 0.00 34.95 29.39 2hfv s ARG 68 CO 0.21 -0.94 -0.13 -0.98 -0.81 0.00 0.00 175.30 172.65 2hfv s ARG 69 N 3.97 3.01 -0.21 5.12 1.70 -1.26 -1.27 118.95 130.01 2hfv s ARG 69 Ca 0.61 -0.68 -0.09 0.00 -0.47 0.00 0.00 55.73 55.10 2hfv s ARG 69 Cb -0.23 -2.53 -0.05 0.00 -0.57 0.00 0.00 34.95 31.57 2hfv s ARG 69 CO 0.22 0.40 0.11 0.08 -1.08 0.00 0.00 175.30 175.03 2hfv s VAL 70 N -0.14 5.10 0.09 4.99 1.01 -0.97 -3.05 120.40 127.44 2hfv s VAL 70 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2hfv s VAL 70 Cb -0.14 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2hfv s VAL 70 CO 0.03 0.41 -0.25 -0.76 0.00 0.00 0.00 175.10 174.53 2hfv s LEU 71 N 0.71 2.25 0.37 3.92 1.02 0.80 0.29 118.68 128.05 2hfv s LEU 71 Ca 0.06 -0.66 0.05 0.00 0.02 0.00 0.00 54.13 53.60 2hfv s LEU 71 Cb -0.13 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.92 2hfv s LEU 71 CO 0.02 0.18 0.20 0.68 0.02 0.00 0.00 176.35 177.44 2hfv s VAL 72 N -0.97 0.30 0.62 -1.59 -7.23 -0.92 -0.93 120.40 109.68 2hfv s VAL 72 Ca 0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2hfv s VAL 72 Cb -0.10 -2.40 0.09 0.00 0.56 0.00 0.00 36.38 34.54 2hfv s VAL 72 CO 0.04 0.00 0.85 -1.38 -0.31 0.00 0.00 175.10 174.30 2hfv s HIS 73 N -3.33 1.66 1.05 2.82 -3.43 -1.26 -0.53 115.29 112.27 2hfv s HIS 73 Ca 0.31 -0.50 -0.13 0.00 -0.80 0.00 0.00 55.06 53.95 2hfv s HIS 73 Cb 0.02 -2.54 0.22 0.00 -1.43 0.00 0.00 32.58 28.85 2hfv s HIS 73 CO 0.20 -1.29 1.07 -1.83 -2.00 0.00 0.00 174.74 170.90 2hfv s GLU 74 N -4.82 0.00 0.00 -0.38 4.04 0.23 -2.04 118.70 115.73 2hfv s GLU 74 Ca 0.63 0.61 0.00 0.00 0.04 0.00 0.00 54.97 56.25 2hfv s GLU 74 Cb -0.06 -1.68 0.00 0.00 0.02 0.00 0.00 34.13 32.41 2hfv s GLU 74 CO 0.40 -3.04 0.00 -3.47 -1.84 0.00 0.00 175.26 167.31 2hfv n ASP 75 N -4.41 0.00 0.10 0.83 -0.08 -1.26 -4.05 116.55 107.69 2hfv n ASP 75 Ca 0.04 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.52 2hfv n ASP 75 Cb 0.56 0.00 0.76 0.00 2.34 0.00 0.00 41.12 44.78 2hfv n ASP 75 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2hfv h ASP 76 N 0.00 0.00 -0.97 1.67 1.82 -1.89 -1.31 116.42 115.73 2hfv h ASP 76 Ca 0.00 0.00 0.21 0.00 -0.39 0.00 0.00 57.03 56.85 2hfv h ASP 76 Cb 0.00 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 39.90 2hfv h ASP 76 CO 0.00 0.00 0.56 0.25 -1.61 0.00 0.00 179.24 178.44 2hfv h LEU 77 N 0.00 0.66 -0.24 2.28 7.12 -1.55 0.34 115.31 123.93 2hfv h LEU 77 Ca 0.18 0.12 -0.16 0.00 0.13 0.00 0.00 57.88 58.14 2hfv h LEU 77 Cb 0.91 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 2hfv h LEU 77 CO -0.00 0.18 -0.49 0.00 -0.13 0.00 0.00 178.44 178.00 2hfv h ALA 78 N 1.67 0.38 -0.26 1.25 0.00 -1.56 -2.46 119.26 118.28 2hfv h ALA 78 Ca 0.58 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2hfv h ALA 78 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2hfv h ALA 78 CO -0.43 0.55 -0.05 0.78 0.00 0.00 0.00 179.25 180.10 2hfv h GLY 79 N 0.49 0.53 0.96 0.00 0.00 -1.11 -1.42 103.07 102.52 2hfv h GLY 79 Ca 0.01 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.92 2hfv h GLY 79 CO 0.11 0.39 0.37 0.00 0.00 0.00 0.00 176.54 177.42 2hfv h ALA 80 N 0.77 0.74 -0.13 3.60 0.00 -0.47 0.68 119.26 124.46 2hfv h ALA 80 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hfv h ALA 80 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2hfv h ALA 80 CO 0.02 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.50 2hfv h ARG 81 N 0.76 0.17 -0.96 0.00 3.08 -1.35 -0.63 114.38 115.45 2hfv h ARG 81 Ca 0.22 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.28 2hfv h ARG 81 Cb -0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 2hfv h ARG 81 CO -0.06 0.12 0.63 -0.09 -1.07 0.00 0.00 179.97 179.50 2hfv h ARG 82 N 0.17 1.22 -0.05 0.04 2.43 -0.87 0.18 114.38 117.50 2hfv h ARG 82 Ca 0.05 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2hfv h ARG 82 Cb -0.01 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 2hfv h ARG 82 CO -0.01 0.81 0.03 1.25 -1.51 0.00 0.00 179.97 180.53 2hfv h LEU 83 N 1.26 0.06 -1.23 3.80 5.85 -0.52 -0.83 115.31 123.70 2hfv h LEU 83 Ca 0.37 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 2hfv h LEU 83 Cb -0.07 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2hfv h LEU 83 CO -0.10 0.14 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.69 2hfv h LEU 84 N -0.01 0.00 -0.19 2.25 4.07 -0.67 -1.57 115.31 119.19 2hfv h LEU 84 Ca 0.02 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 2hfv h LEU 84 Cb 0.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2hfv h LEU 84 CO -0.00 0.37 -0.17 0.74 -1.08 0.00 0.00 178.44 178.30 2hfv h THR 85 N 0.00 1.33 -0.59 0.22 2.02 -0.38 0.13 112.91 115.64 2hfv h THR 85 Ca -0.00 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 2hfv h THR 85 Cb 0.70 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2hfv h THR 85 CO 0.05 0.40 0.25 -0.78 0.37 0.00 0.00 175.52 175.80 2hfv h ASP 86 N 0.12 0.78 1.38 4.18 3.58 -0.93 -1.10 116.42 124.43 2hfv h ASP 86 Ca 0.03 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2hfv h ASP 86 Cb 0.71 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2hfv h ASP 86 CO 0.04 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 177.10 2hfv h ALA 87 N 1.43 1.00 0.00 -0.78 0.00 -1.21 -3.47 119.26 116.23 2hfv h ALA 87 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2hfv h ALA 87 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2hfv h ALA 87 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2hfv n GLY 88 N 0.62 0.52 0.43 0.00 0.00 -0.32 -4.93 105.19 101.51 2hfv n GLY 88 Ca 0.03 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 1.80 -4.57 0.99 4.77 0.32 -4.85 117.00 115.46 2hfv n LEU 89 Ca 0.00 -0.85 -0.35 0.00 -0.03 0.00 0.00 56.01 54.78 2hfv n LEU 89 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2hfv n LEU 89 CO 0.00 0.34 1.55 0.00 -1.33 0.00 0.00 177.39 177.95 2hfv s ALA 90 N -1.60 2.41 0.00 -1.18 0.00 -0.97 -4.12 121.76 116.29 2hfv s ALA 90 Ca 0.14 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.92 2hfv s ALA 90 Cb 0.12 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2hfv s ALA 90 CO 0.31 -4.14 0.00 1.58 0.00 0.00 0.00 175.76 173.51 2hfv n HIS 91 N 11.06 -0.29 -0.02 0.00 -0.00 -1.26 -4.87 115.22 119.84 2hfv n HIS 91 Ca 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.17 2hfv n HIS 91 Cb 0.48 0.16 0.23 0.00 -0.00 0.00 0.00 29.99 30.87 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 -1.83 3.13 -2.04 1.57 -0.58 -1.26 -4.93 120.64 114.70 2hfv n GLU 92 Ca 0.00 -1.83 -0.28 0.00 -0.42 0.00 0.00 57.16 54.63 2hfv n GLU 92 Cb 0.00 -1.87 0.06 0.00 -0.57 0.00 0.00 31.44 29.06 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 -1.54 2.84 -0.66 -4.62 1.02 -1.26 -2.53 118.68 111.93 2hfv s LEU 93 Ca 0.32 0.83 -0.12 0.00 0.02 0.00 0.00 54.13 55.18 2hfv s LEU 93 Cb 0.23 -3.53 0.17 0.00 0.02 0.00 0.00 46.19 43.08 2hfv s LEU 93 CO 0.11 -1.49 0.57 -0.60 0.02 0.00 0.00 176.35 174.97 2hfv s ARG 94 N -5.33 3.09 -0.50 1.70 3.52 0.16 -4.86 118.95 116.74 2hfv s ARG 94 Ca 0.59 -2.15 0.03 0.00 -0.13 0.00 0.00 55.73 54.06 2hfv s ARG 94 Cb -0.11 -4.20 0.15 0.00 -1.56 0.00 0.00 34.95 29.22 2hfv s ARG 94 CO 0.48 -1.27 0.30 -1.12 -0.81 0.00 0.00 175.30 172.89 2hfv s SER 95 N 2.41 3.71 0.00 -2.12 0.01 -1.26 -4.73 113.70 111.71 2hfv s SER 95 Ca 0.12 -2.97 0.00 0.00 1.31 0.00 0.00 55.95 54.41 2hfv s SER 95 Cb -0.20 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.87 2hfv s SER 95 CO -0.04 -0.22 0.00 -0.67 0.41 0.00 0.00 173.24 172.73 2hfv n ASP 96 N 3.10 0.00 -0.49 2.44 2.03 -1.26 -5.26 116.55 117.10 2hfv n ASP 96 Ca 0.13 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.50 2hfv n ASP 96 Cb 0.36 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.81 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61