#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 6.30 2.48 3.17 0.00 -1.26 -4.89 105.19 111.00 2hfv n GLY 2 Ca 0.00 -2.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.04 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 -3.56 2.98 -0.40 1.61 0.01 -1.26 -5.07 113.70 108.02 2hfv s SER 3 Ca 0.50 -2.06 0.02 0.00 1.31 0.00 0.00 55.95 55.72 2hfv s SER 3 Cb 0.41 -0.36 0.12 0.00 0.21 0.00 0.00 66.02 66.40 2hfv s SER 3 CO -0.02 -0.32 0.18 -0.44 0.41 0.00 0.00 173.24 173.05 2hfv s SER 4 N 1.21 3.89 -0.42 2.44 0.01 -1.26 -5.03 113.70 114.53 2hfv s SER 4 Ca 0.17 -2.32 0.02 0.00 1.31 0.00 0.00 55.95 55.12 2hfv s SER 4 Cb -0.22 -1.07 0.14 0.00 0.21 0.00 0.00 66.02 65.09 2hfv s SER 4 CO -0.04 -0.32 0.25 -1.00 0.41 0.00 0.00 173.24 172.55 2hfv s HIS 5 N 0.73 1.56 -0.23 2.43 0.09 -1.26 -5.08 115.29 113.53 2hfv s HIS 5 Ca 0.15 -2.20 -0.03 0.00 -0.00 0.00 0.00 55.06 52.97 2hfv s HIS 5 Cb -0.22 -1.51 0.01 0.00 -0.00 0.00 0.00 32.58 30.85 2hfv s HIS 5 CO -0.07 -0.79 -0.06 -3.38 -0.00 0.00 0.00 174.74 170.44 2hfv s HIS 6 N 0.46 2.97 -0.29 1.40 0.00 -1.26 -5.07 115.29 113.50 2hfv s HIS 6 Ca 0.20 -1.19 -0.04 0.00 -3.00 0.00 0.00 55.06 51.03 2hfv s HIS 6 Cb -0.20 -2.08 0.16 0.00 -4.00 0.00 0.00 32.58 26.47 2hfv s HIS 6 CO -0.03 -0.63 0.58 -1.58 -1.00 0.00 0.00 174.74 172.09 2hfv s HIS 7 N 1.42 -1.42 -0.05 0.38 5.65 -1.26 -5.15 115.29 114.86 2hfv s HIS 7 Ca 0.04 1.79 -0.02 0.00 0.25 0.00 0.00 55.06 57.12 2hfv s HIS 7 Cb -0.15 0.57 0.03 0.00 -1.18 0.00 0.00 32.58 31.85 2hfv s HIS 7 CO -0.05 -0.79 0.09 -3.38 -0.65 0.00 0.00 174.74 169.96 2hfv s HIS 8 N 2.83 -0.05 -0.39 3.88 0.00 -1.26 -5.08 115.29 115.22 2hfv s HIS 8 Ca 0.12 0.32 -0.03 0.00 -3.00 0.00 0.00 55.06 52.48 2hfv s HIS 8 Cb -0.14 -0.23 0.20 0.00 -4.00 0.00 0.00 32.58 28.40 2hfv s HIS 8 CO -0.20 -0.15 0.96 -1.58 -1.00 0.00 0.00 174.74 172.77 2hfv s HIS 9 N 1.45 -0.77 -0.35 0.38 2.46 -1.26 -5.11 115.29 112.09 2hfv s HIS 9 Ca -0.05 -0.16 0.03 0.00 0.47 0.00 0.00 55.06 55.36 2hfv s HIS 9 Cb -0.12 0.15 0.16 0.00 -0.13 0.00 0.00 32.58 32.63 2hfv s HIS 9 CO -0.04 -0.58 0.42 -1.58 -2.47 0.00 0.00 174.74 170.49 2hfv s HIS 10 N 1.22 -0.70 -0.35 3.88 5.65 -1.26 -5.07 115.29 118.65 2hfv s HIS 10 Ca 0.23 -0.34 0.06 0.00 0.25 0.00 0.00 55.06 55.25 2hfv s HIS 10 Cb 0.06 -0.24 0.18 0.00 -1.18 0.00 0.00 32.58 31.40 2hfv s HIS 10 CO -0.10 -1.00 0.54 -1.12 -0.65 0.00 0.00 174.74 172.40 2hfv s SER 11 N 1.82 -0.77 -0.13 9.88 0.01 -1.26 -5.14 113.70 118.11 2hfv s SER 11 Ca 0.15 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 2hfv s SER 11 Cb -0.13 1.60 0.06 0.00 0.21 0.00 0.00 66.02 67.76 2hfv s SER 11 CO -0.12 -0.25 0.29 -0.44 0.41 0.00 0.00 173.24 173.13 2hfv s SER 12 N 2.18 -0.16 0.00 2.44 0.01 -1.26 -5.12 113.70 111.79 2hfv s SER 12 Ca 0.13 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2hfv s SER 12 Cb -0.09 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2hfv s SER 12 CO -0.16 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2hfv n GLY 13 N 4.60 -0.10 3.34 3.44 0.00 -1.26 -5.10 105.19 110.11 2hfv n GLY 13 Ca -0.19 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 2hfv n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hfv s ARG 14 N -4.66 1.30 -0.12 1.61 3.00 -1.26 -5.15 118.95 113.67 2hfv s ARG 14 Ca 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 55.73 54.24 2hfv s ARG 14 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 34.95 33.74 2hfv s ARG 14 CO 0.00 0.23 -0.07 -1.83 0.00 0.00 0.00 175.30 173.63 2hfv s GLU 15 N -3.15 1.53 -0.30 3.54 -1.05 -1.26 -5.09 118.70 112.92 2hfv s GLU 15 Ca 0.19 -0.28 -0.02 0.00 -0.15 0.00 0.00 54.97 54.70 2hfv s GLU 15 Cb -0.04 -1.64 0.19 0.00 -0.44 0.00 0.00 34.13 32.21 2hfv s GLU 15 CO 0.07 -0.28 0.64 1.21 0.95 0.00 0.00 175.26 177.85 2hfv s ASN 16 N 1.70 -1.31 -0.56 0.83 2.47 -1.26 -5.12 114.94 111.69 2hfv s ASN 16 Ca 0.05 0.79 -0.25 0.00 0.42 0.00 0.00 52.86 53.87 2hfv s ASN 16 Cb -0.13 2.09 0.04 0.00 -1.45 0.00 0.00 41.25 41.80 2hfv s ASN 16 CO -0.08 -0.25 0.98 -0.76 -3.72 0.00 0.00 177.10 173.27 2hfv s LEU 17 N 2.87 4.01 0.43 3.21 1.43 -1.26 -5.03 118.68 124.34 2hfv s LEU 17 Ca 0.19 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 2hfv s LEU 17 Cb -0.14 -2.87 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 2hfv s LEU 17 CO -0.20 -1.27 0.88 -0.72 0.23 0.00 0.00 176.35 175.26 2hfv s TYR 18 N 4.11 3.40 -0.29 0.29 1.13 -1.26 -5.08 117.35 119.65 2hfv s TYR 18 Ca 0.32 1.36 -0.14 0.00 -1.41 0.00 0.00 57.07 57.20 2hfv s TYR 18 Cb -0.12 -2.68 0.10 0.00 -1.10 0.00 0.00 41.96 38.16 2hfv s TYR 18 CO 0.20 -0.14 0.71 0.12 -2.51 0.00 0.00 175.55 173.92 2hfv s PHE 19 N -2.31 -1.10 -0.06 -3.49 5.36 -1.26 -5.17 117.98 109.95 2hfv s PHE 19 Ca 0.57 2.10 -0.16 0.00 -0.96 0.00 0.00 56.93 58.49 2hfv s PHE 19 Cb -0.10 0.66 0.03 0.00 -0.34 0.00 0.00 43.02 43.27 2hfv s PHE 19 CO 0.23 -0.55 0.37 -0.65 -1.46 0.00 0.00 175.22 173.17 2hfv s GLN 20 N 1.96 0.64 0.00 10.12 -1.52 -1.26 -5.11 119.66 124.49 2hfv s GLN 20 Ca -0.09 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2hfv s GLN 20 Cb -0.07 0.29 0.00 0.00 -0.22 0.00 0.00 33.01 33.02 2hfv s GLN 20 CO -0.19 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.10 2hfv n GLY 21 N 1.72 -2.03 3.56 3.09 0.00 -1.26 -5.14 105.19 105.13 2hfv n GLY 21 Ca -0.19 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.67 2hfv n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hfv s HIS 22 N 0.00 -0.53 0.04 1.61 5.04 -1.26 -5.08 115.29 115.11 2hfv s HIS 22 Ca 0.00 0.94 0.07 0.00 -1.54 0.00 0.00 55.06 54.53 2hfv s HIS 22 Cb 0.00 0.42 -0.02 0.00 0.04 0.00 0.00 32.58 33.02 2hfv s HIS 22 CO 0.00 -0.46 -0.20 -0.51 -2.34 0.00 0.00 174.74 171.23 2hfv s LEU 23 N -1.02 2.15 0.10 8.88 1.02 -1.26 -1.37 118.68 127.17 2hfv s LEU 23 Ca -0.06 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.68 2hfv s LEU 23 Cb -0.01 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.21 2hfv s LEU 23 CO 0.05 0.16 -0.17 -0.13 0.02 0.00 0.00 176.35 176.29 2hfv s ARG 24 N -1.08 1.91 -0.21 1.70 0.52 0.19 -4.89 118.95 117.09 2hfv s ARG 24 Ca 0.07 -1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 53.92 2hfv s ARG 24 Cb -0.09 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 2hfv s ARG 24 CO 0.01 0.50 0.86 -2.00 0.02 0.00 0.00 175.30 174.69 2hfv s GLU 25 N -1.97 4.24 -0.07 3.54 2.12 -1.26 -1.76 118.70 123.53 2hfv s GLU 25 Ca 0.18 1.02 -0.07 0.00 0.36 0.00 0.00 54.97 56.46 2hfv s GLU 25 Cb -0.11 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2hfv s GLU 25 CO 0.09 -0.46 -0.13 1.28 -0.54 0.00 0.00 175.26 175.51 2hfv n LEU 26 N 5.75 0.73 -4.15 2.70 4.32 -0.56 -4.97 117.00 120.80 2hfv n LEU 26 Ca 0.06 0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.06 2hfv n LEU 26 Cb 0.48 -0.58 -0.09 0.00 -1.62 0.00 0.00 43.42 41.61 2hfv n LEU 26 CO 0.48 -0.42 -0.17 -1.48 -1.22 0.00 0.00 177.39 174.58 2hfv s LEU 27 N -6.09 1.08 -0.15 2.23 2.34 -1.21 -1.81 118.68 115.07 2hfv s LEU 27 Ca -0.11 -1.27 -0.08 0.00 0.06 0.00 0.00 54.13 52.74 2hfv s LEU 27 Cb 0.01 0.63 -0.04 0.00 -0.56 0.00 0.00 46.19 46.23 2hfv s LEU 27 CO 0.16 -0.88 0.12 0.00 -1.06 0.00 0.00 176.35 174.69 2hfv s ARG 28 N -4.11 3.67 -0.51 1.48 1.70 -1.21 -1.84 118.95 118.13 2hfv s ARG 28 Ca 0.34 -0.20 0.02 0.00 -0.47 0.00 0.00 55.73 55.42 2hfv s ARG 28 Cb 0.06 -3.23 0.13 0.00 -0.57 0.00 0.00 34.95 31.34 2hfv s ARG 28 CO 0.10 0.59 0.27 0.95 -1.08 0.00 0.00 175.30 176.12 2hfv s THR 29 N -0.49 2.86 -0.87 4.99 -4.23 0.16 -4.83 115.64 113.23 2hfv s THR 29 Ca 0.12 -3.01 0.10 0.00 -1.18 0.00 0.00 61.69 57.72 2hfv s THR 29 Cb -0.12 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2hfv s THR 29 CO 0.02 -0.78 1.21 -0.46 -0.54 0.00 0.00 174.62 174.07 2hfv n ASN 30 N 3.47 2.80 -4.32 3.99 2.04 -1.26 -3.22 115.26 118.75 2hfv n ASN 30 Ca 0.05 -1.97 -0.34 0.00 -0.44 0.00 0.00 54.58 51.88 2hfv n ASN 30 Cb 0.36 -0.20 -0.14 0.00 -2.53 0.00 0.00 39.78 37.26 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2hfv s ASP 31 N -0.99 4.01 0.17 0.53 2.15 -1.26 -5.02 116.67 116.26 2hfv s ASP 31 Ca 0.21 -0.38 -0.13 0.00 0.43 0.00 0.00 52.55 52.67 2hfv s ASP 31 Cb 0.11 -1.64 0.07 0.00 -0.30 0.00 0.00 42.92 41.16 2hfv s ASP 31 CO 0.14 0.09 1.79 0.00 -0.17 0.00 0.00 175.17 177.02 2hfv h ALA 32 N 7.31 0.71 -0.18 3.66 0.00 -2.00 -1.52 119.26 127.25 2hfv h ALA 32 Ca -0.33 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2hfv h ALA 32 Cb 1.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2hfv h ALA 32 CO 0.58 0.21 -0.27 0.28 0.00 0.00 0.00 179.25 180.06 2hfv h VAL 33 N 0.75 1.34 -0.75 0.00 2.07 -2.00 -2.91 116.25 114.75 2hfv h VAL 33 Ca 0.20 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.26 2hfv h VAL 33 Cb 0.02 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2hfv h VAL 33 CO -0.03 0.45 0.48 0.25 0.02 0.00 0.00 177.57 178.73 2hfv h LEU 34 N 0.14 0.78 -1.23 2.57 5.85 -1.96 -0.92 115.31 120.54 2hfv h LEU 34 Ca 0.02 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2hfv h LEU 34 Cb 0.84 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2hfv h LEU 34 CO 0.06 0.54 0.18 0.25 -0.34 0.00 0.00 178.44 179.13 2hfv h LEU 35 N 0.93 0.65 -0.26 2.25 5.85 -1.24 0.96 115.31 124.45 2hfv h LEU 35 Ca 0.30 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 2hfv h LEU 35 Cb 0.02 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2hfv h LEU 35 CO -0.11 0.60 -0.36 0.28 -0.34 0.00 0.00 178.44 178.51 2hfv h SER 36 N 0.71 0.76 0.30 1.25 0.02 -1.20 -1.85 113.55 113.54 2hfv h SER 36 Ca 0.17 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2hfv h SER 36 Cb 0.17 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2hfv h SER 36 CO -0.01 1.12 -0.14 0.00 -1.14 0.00 0.00 176.83 176.65 2hfv h ALA 37 N 0.67 -0.40 -0.75 3.77 0.00 -0.49 -1.20 119.26 120.86 2hfv h ALA 37 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2hfv h ALA 37 Cb 0.94 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2hfv h ALA 37 CO 0.08 -0.58 0.34 0.28 0.00 0.00 0.00 179.25 179.37 2hfv h VAL 38 N -0.69 1.25 -0.32 0.00 2.07 -0.95 -1.99 116.25 115.63 2hfv h VAL 38 Ca -0.04 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2hfv h VAL 38 Cb 0.48 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2hfv h VAL 38 CO 0.07 0.30 -0.04 1.23 0.02 0.00 0.00 177.57 179.15 2hfv h GLY 39 N 1.06 0.54 1.48 2.17 0.00 -1.30 -0.85 103.07 106.17 2hfv h GLY 39 Ca 0.25 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 2hfv h GLY 39 CO -0.03 0.31 -0.67 0.00 0.00 0.00 0.00 176.54 176.16 2hfv h ALA 40 N 1.49 0.59 -0.24 3.60 0.00 -0.87 -2.46 119.26 121.37 2hfv h ALA 40 Ca 0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2hfv h ALA 40 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hfv h ALA 40 CO 0.02 0.72 0.02 -0.07 0.00 0.00 0.00 179.25 179.93 2hfv h LEU 41 N 0.38 0.40 -0.26 0.00 3.38 -0.83 0.22 115.31 118.59 2hfv h LEU 41 Ca -0.02 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2hfv h LEU 41 Cb 1.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2hfv h LEU 41 CO 0.12 0.58 0.14 -0.07 0.09 0.00 0.00 178.44 179.31 2hfv h LEU 42 N 0.20 0.21 -0.64 1.67 3.38 -1.18 -1.85 115.31 117.10 2hfv h LEU 42 Ca 0.07 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2hfv h LEU 42 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2hfv h LEU 42 CO 0.01 0.16 -0.30 -0.78 0.09 0.00 0.00 178.44 177.62 2hfv h ASP 43 N 0.29 0.77 0.49 -0.43 3.58 -1.38 0.28 116.42 120.03 2hfv h ASP 43 Ca 0.11 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2hfv h ASP 43 Cb 0.02 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2hfv h ASP 43 CO -0.06 1.02 -0.02 1.23 -2.88 0.00 0.00 179.24 178.53 2hfv h GLY 44 N 0.96 0.00 -1.33 -0.78 0.00 -0.13 -1.66 103.07 100.13 2hfv h GLY 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2hfv h GLY 44 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 2hfv n ALA 45 N -2.12 2.25 -2.84 3.60 0.00 -0.73 -4.97 120.51 115.70 2hfv n ALA 45 Ca -0.01 -1.05 -0.21 0.00 0.00 0.00 0.00 53.44 52.17 2hfv n ALA 45 Cb 0.20 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 0.64 -5.89 -4.65 0.00 2.03 -0.62 -4.95 116.55 103.11 2hfv n ASP 46 Ca 0.12 -0.22 -0.42 0.00 0.52 0.00 0.00 54.79 54.79 2hfv n ASP 46 Cb 0.42 -4.75 -0.03 0.00 -0.72 0.00 0.00 41.12 36.04 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 -3.12 4.76 -0.32 5.18 1.01 0.94 -4.98 121.20 124.67 2hfv s ILE 47 Ca 0.22 1.81 -0.28 0.00 0.00 0.00 0.00 60.65 62.40 2hfv s ILE 47 Cb -0.10 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2hfv s ILE 47 CO 0.28 -0.12 1.88 -0.83 0.00 0.00 0.00 174.94 176.14 2hfv s GLY 48 N 1.26 0.72 0.07 6.18 0.00 -1.26 -4.57 107.32 109.72 2hfv s GLY 48 Ca 0.40 0.32 0.07 0.00 0.00 0.00 0.00 44.72 45.50 2hfv s GLY 48 CO 0.07 3.37 -0.19 -2.38 0.00 0.00 0.00 173.10 173.97 2hfv s HIS 49 N 7.25 1.64 -0.08 1.90 -0.00 -1.26 -1.06 115.29 123.68 2hfv s HIS 49 Ca 0.83 -0.40 0.02 0.00 -0.00 0.00 0.00 55.06 55.50 2hfv s HIS 49 Cb -0.24 -0.93 0.01 0.00 -0.00 0.00 0.00 32.58 31.43 2hfv s HIS 49 CO 0.33 0.13 -0.12 -1.17 -0.00 0.00 0.00 174.74 173.91 2hfv s LEU 50 N -1.60 1.61 -0.22 5.38 2.96 0.15 -4.98 118.68 121.99 2hfv s LEU 50 Ca 0.05 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.55 2hfv s LEU 50 Cb -0.09 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2hfv s LEU 50 CO 0.03 0.01 0.10 0.68 -1.32 0.00 0.00 176.35 175.85 2hfv s VAL 51 N 0.84 4.91 -0.33 1.68 -7.23 -1.26 -0.69 120.40 118.31 2hfv s VAL 51 Ca -0.11 0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 2hfv s VAL 51 Cb -0.15 -3.26 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 2hfv s VAL 51 CO 0.02 0.40 0.19 -0.76 -0.31 0.00 0.00 175.10 174.64 2hfv s LEU 52 N 0.85 4.38 -0.07 1.32 2.01 0.23 -4.96 118.68 122.44 2hfv s LEU 52 Ca 0.05 -0.58 -0.03 0.00 0.01 0.00 0.00 54.13 53.58 2hfv s LEU 52 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 44.00 2hfv s LEU 52 CO 0.03 -0.25 -0.07 -0.78 1.01 0.00 0.00 176.35 176.29 2hfv h ASP 53 N 8.42 0.00 -3.92 2.29 3.58 -1.92 0.11 116.42 124.98 2hfv h ASP 53 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2hfv h ASP 53 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2hfv h ASP 53 CO 0.63 0.38 -0.60 0.00 -2.88 0.00 0.00 179.24 176.78 2hfv n GLN 54 N -3.59 -3.49 -4.23 0.28 1.13 -1.26 -4.30 117.38 101.93 2hfv n GLN 54 Ca -0.03 2.64 -0.24 0.00 -1.94 0.00 0.00 57.00 57.43 2hfv n GLN 54 Cb 0.10 -2.66 -0.08 0.00 0.11 0.00 0.00 30.24 27.71 2hfv n GLN 54 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hfv s ASN 55 N -0.43 4.36 0.63 1.08 2.20 -1.26 -4.74 114.94 116.76 2hfv s ASN 55 Ca 0.00 -1.00 -0.16 0.00 -0.94 0.00 0.00 52.86 50.76 2hfv s ASN 55 Cb 0.00 -0.55 -0.02 0.00 -2.00 0.00 0.00 41.25 38.69 2hfv s ASN 55 CO 0.00 -0.37 1.11 0.00 -2.94 0.00 0.00 177.10 174.90 2hfv s MET 56 N -3.81 2.97 0.84 3.55 0.23 -1.26 -5.00 119.30 116.82 2hfv s MET 56 Ca 0.38 1.42 -0.12 0.00 -1.03 0.00 0.00 55.69 56.33 2hfv s MET 56 Cb 0.01 -1.97 0.11 0.00 -1.53 0.00 0.00 34.83 31.45 2hfv s MET 56 CO 0.21 -1.12 1.19 0.43 -2.03 0.00 0.00 175.02 173.70 2hfv n SER 57 N -2.15 0.82 -4.55 -1.18 7.64 -1.26 -4.86 113.62 108.09 2hfv n SER 57 Ca 0.10 0.53 -0.36 0.00 1.01 0.00 0.00 58.87 60.16 2hfv n SER 57 Cb 0.52 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.18 2hfv n SER 57 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2hfv s ILE 58 N -2.29 3.50 0.00 0.44 1.10 -1.26 -4.67 121.20 118.02 2hfv s ILE 58 Ca 0.71 -0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.83 2hfv s ILE 58 Cb -0.27 -4.24 0.00 0.00 0.15 0.00 0.00 42.46 38.10 2hfv s ILE 58 CO 0.53 -1.19 0.00 -0.11 -2.11 0.00 0.00 174.94 172.06 2hfv n LEU 59 N 12.12 0.00 -2.40 8.50 -0.00 -1.26 -5.08 117.00 128.87 2hfv n LEU 59 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.24 2hfv n LEU 59 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 2hfv n LEU 59 CO 0.67 0.00 -0.41 1.21 -0.00 0.00 0.00 177.39 178.86 2hfv n GLU 60 N 0.00 -2.88 -2.14 1.96 4.07 -1.26 -4.97 120.64 115.42 2hfv n GLU 60 Ca 0.00 2.38 -0.30 0.00 -0.06 0.00 0.00 57.16 59.18 2hfv n GLU 60 Cb 0.00 -4.29 0.02 0.00 -0.06 0.00 0.00 31.44 27.11 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hfv n GLY 61 N 0.72 6.00 0.07 8.31 0.00 -1.26 -4.68 105.19 114.35 2hfv n GLY 61 Ca -0.08 -2.64 -0.10 0.00 0.00 0.00 0.00 46.02 43.21 2hfv n GLY 61 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hfv h SER 62 N 2.50 0.00 -3.49 1.61 4.64 -2.00 -3.46 113.55 113.36 2hfv h SER 62 Ca 0.40 -0.43 -0.66 0.00 -0.47 0.00 0.00 61.79 60.62 2hfv h SER 62 Cb 0.89 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.77 2hfv h SER 62 CO 1.02 0.89 -0.70 -0.76 -0.87 0.00 0.00 176.83 176.41 2hfv s LEU 63 N -8.26 3.10 0.07 5.97 1.02 -1.26 -4.98 118.68 114.33 2hfv s LEU 63 Ca -0.14 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.88 2hfv s LEU 63 Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.51 2hfv s LEU 63 CO 0.38 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.62 2hfv n GLY 64 N 2.94 -0.16 3.16 -3.19 0.00 -1.26 -5.02 105.19 101.66 2hfv n GLY 64 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.79 -9.66 -3.59 1.61 0.31 -1.26 -4.99 118.33 97.95 2hfv n VAL 65 Ca 0.00 -0.84 -0.40 0.00 -0.01 0.00 0.00 64.34 63.09 2hfv n VAL 65 Cb 0.00 -6.72 -0.11 0.00 -0.91 0.00 0.00 33.84 26.10 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 -3.21 4.67 -0.19 2.52 1.09 -1.26 -5.05 121.20 119.77 2hfv s ILE 66 Ca 0.25 -0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 58.75 2hfv s ILE 66 Cb -0.03 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2hfv s ILE 66 CO 0.75 -0.19 1.76 -2.84 -0.10 0.00 0.00 174.94 174.31 2hfv s PRO 67 N 1.58 3.74 0.32 2.79 0.02 -1.26 -4.93 135.00 137.25 2hfv s PRO 67 Ca 0.03 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 2hfv s PRO 67 Cb -0.19 -4.11 -0.12 0.00 0.02 0.00 0.00 34.50 30.11 2hfv s PRO 67 CO 0.07 -1.38 1.53 -2.13 -0.33 0.00 0.00 177.00 174.76 2hfv n ARG 68 N 7.82 2.60 -4.83 5.54 0.63 -1.20 -4.75 116.66 122.47 2hfv n ARG 68 Ca 0.21 0.92 -0.33 0.00 -0.92 0.00 0.00 57.85 57.72 2hfv n ARG 68 Cb 0.45 -2.66 -0.13 0.00 0.45 0.00 0.00 32.46 30.57 2hfv n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2hfv s ARG 69 N -1.07 2.60 -0.27 -0.14 0.52 0.37 0.38 118.95 121.34 2hfv s ARG 69 Ca 0.60 -0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 55.07 2hfv s ARG 69 Cb -0.51 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 2hfv s ARG 69 CO 0.54 0.61 0.10 0.08 0.02 0.00 0.00 175.30 176.65 2hfv s VAL 70 N -0.69 4.44 0.12 3.52 1.01 -0.77 -0.60 120.40 127.42 2hfv s VAL 70 Ca 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2hfv s VAL 70 Cb -0.11 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2hfv s VAL 70 CO 0.01 0.24 -0.15 -0.76 0.00 0.00 0.00 175.10 174.44 2hfv s LEU 71 N 1.62 2.84 0.20 3.92 1.02 0.13 -1.50 118.68 126.91 2hfv s LEU 71 Ca 0.06 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.75 2hfv s LEU 71 Cb -0.16 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 2hfv s LEU 71 CO 0.05 0.17 -0.05 0.68 0.02 0.00 0.00 176.35 177.22 2hfv s VAL 72 N -1.20 1.17 0.49 -1.59 -7.23 -0.73 0.32 120.40 111.64 2hfv s VAL 72 Ca 0.20 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.11 2hfv s VAL 72 Cb -0.11 -2.17 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 2hfv s VAL 72 CO 0.12 -0.48 1.03 -2.28 -0.31 0.00 0.00 175.10 173.17 2hfv s HIS 73 N -3.33 3.07 0.08 2.82 2.46 -0.23 -0.63 115.29 119.53 2hfv s HIS 73 Ca 0.24 1.57 -0.15 0.00 0.47 0.00 0.00 55.06 57.19 2hfv s HIS 73 Cb 0.04 -3.01 -0.03 0.00 -0.13 0.00 0.00 32.58 29.44 2hfv s HIS 73 CO 0.06 -0.74 1.20 0.39 -2.47 0.00 0.00 174.74 173.18 2hfv n GLU 74 N -1.10 -0.22 0.27 2.88 -0.58 -0.47 -0.43 120.64 121.00 2hfv n GLU 74 Ca 0.09 1.19 0.18 0.00 -0.42 0.00 0.00 57.16 58.19 2hfv n GLU 74 Cb 0.53 -1.76 0.78 0.00 -0.57 0.00 0.00 31.44 30.42 2hfv n GLU 74 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2hfv h ASP 75 N 0.00 0.00 1.00 1.62 3.58 -1.93 -1.60 116.42 119.09 2hfv h ASP 75 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2hfv h ASP 75 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2hfv h ASP 75 CO -0.46 0.00 -0.40 0.47 -2.88 0.00 0.00 179.24 175.96 2hfv n ASP 76 N -2.94 0.67 0.13 2.28 9.92 0.43 -4.08 116.55 122.95 2hfv n ASP 76 Ca -0.00 0.23 -0.15 0.00 -0.53 0.00 0.00 54.79 54.34 2hfv n ASP 76 Cb 0.23 -0.13 -0.08 0.00 -0.64 0.00 0.00 41.12 40.50 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hfv h LEU 77 N 0.00 -1.28 -0.75 0.64 -0.00 -0.15 0.43 115.31 114.19 2hfv h LEU 77 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 57.88 58.07 2hfv h LEU 77 Cb 0.70 0.48 -0.05 0.00 -0.00 0.00 0.00 40.66 41.78 2hfv h LEU 77 CO 0.00 -0.51 0.46 0.00 -0.00 0.00 0.00 178.44 178.39 2hfv h ALA 78 N -0.27 1.01 -0.14 1.53 0.00 -1.76 -0.29 119.26 119.35 2hfv h ALA 78 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hfv h ALA 78 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hfv h ALA 78 CO -0.23 0.20 0.04 0.78 0.00 0.00 0.00 179.25 180.03 2hfv h GLY 79 N 0.86 0.23 0.82 0.00 0.00 -1.66 -1.12 103.07 102.19 2hfv h GLY 79 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2hfv h GLY 79 CO -0.15 0.14 0.02 0.00 0.00 0.00 0.00 176.54 176.54 2hfv h ALA 80 N 0.84 0.24 -0.64 3.60 0.00 -0.60 -0.02 119.26 122.67 2hfv h ALA 80 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2hfv h ALA 80 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2hfv h ALA 80 CO -0.00 -0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.31 2hfv h ARG 81 N 0.08 1.02 -0.34 0.00 3.08 -1.07 -0.27 114.38 116.88 2hfv h ARG 81 Ca 0.05 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2hfv h ARG 81 Cb 0.33 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2hfv h ARG 81 CO 0.00 0.91 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.72 2hfv h ARG 82 N 0.97 0.61 -0.21 0.04 2.43 -1.11 -2.49 114.38 114.62 2hfv h ARG 82 Ca 0.20 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2hfv h ARG 82 Cb 0.36 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2hfv h ARG 82 CO 0.00 0.74 0.10 1.25 -1.51 0.00 0.00 179.97 180.56 2hfv h LEU 83 N 0.42 0.28 -1.82 3.80 5.85 -0.57 0.26 115.31 123.52 2hfv h LEU 83 Ca 0.10 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2hfv h LEU 83 Cb 0.47 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2hfv h LEU 83 CO 0.02 0.32 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.25 2hfv h LEU 84 N 0.22 0.00 -0.13 2.25 3.38 -1.08 -0.48 115.31 119.47 2hfv h LEU 84 Ca 0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 2hfv h LEU 84 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2hfv h LEU 84 CO -0.01 0.12 -0.88 0.74 0.09 0.00 0.00 178.44 178.51 2hfv h THR 85 N 0.00 1.30 -0.42 0.22 2.02 -0.89 0.19 112.91 115.32 2hfv h THR 85 Ca -0.00 -2.12 -0.09 0.00 0.77 0.00 0.00 66.41 64.97 2hfv h THR 85 Cb 0.24 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2hfv h THR 85 CO 0.02 0.66 -0.12 -0.78 0.37 0.00 0.00 175.52 175.67 2hfv h ASP 86 N 0.45 0.75 1.70 4.18 3.58 -0.18 -2.30 116.42 124.60 2hfv h ASP 86 Ca -0.08 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2hfv h ASP 86 Cb 1.51 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2hfv h ASP 86 CO 0.17 0.89 -0.02 0.00 -2.88 0.00 0.00 179.24 177.40 2hfv h ALA 87 N 1.18 0.99 -0.25 -0.78 0.00 -1.13 -3.47 119.26 115.80 2hfv h ALA 87 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2hfv h ALA 87 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hfv h ALA 87 CO 0.04 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.65 2hfv n GLY 88 N 1.21 0.32 0.96 0.00 0.00 -0.45 -4.93 105.19 102.31 2hfv n GLY 88 Ca 0.05 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.27 3.15 -3.96 0.99 4.77 0.54 -4.76 117.00 117.46 2hfv n LEU 89 Ca -0.02 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.04 2hfv n LEU 89 Cb 0.45 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2hfv n LEU 89 CO 0.03 0.69 2.26 0.00 -1.33 0.00 0.00 177.39 179.04 2hfv n ALA 90 N 1.21 4.13 0.00 -1.18 0.00 -1.09 -3.99 120.51 119.59 2hfv n ALA 90 Ca 0.16 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.98 2hfv n ALA 90 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.40 2hfv n ALA 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hfv n HIS 91 N 7.85 0.00 0.00 0.00 8.25 -1.26 -4.79 115.22 125.26 2hfv n HIS 91 Ca 0.50 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 58.07 2hfv n HIS 91 Cb 0.42 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.81 2hfv n HIS 91 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2hfv n GLU 92 N -1.61 2.53 -2.71 -0.41 -0.58 -1.26 -4.90 120.64 111.69 2hfv n GLU 92 Ca 0.00 -2.36 -0.43 0.00 -0.42 0.00 0.00 57.16 53.96 2hfv n GLU 92 Cb 0.27 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.13 4.13 -1.29 -4.62 1.02 -1.26 -3.30 118.68 112.23 2hfv s LEU 93 Ca 0.43 1.35 -0.18 0.00 0.02 0.00 0.00 54.13 55.75 2hfv s LEU 93 Cb 0.23 -3.47 0.06 0.00 0.02 0.00 0.00 46.19 43.03 2hfv s LEU 93 CO 0.31 -0.59 1.75 -0.60 0.02 0.00 0.00 176.35 177.24 2hfv s ARG 94 N 2.84 3.90 -0.79 1.70 3.52 -0.75 -4.83 118.95 124.54 2hfv s ARG 94 Ca 0.43 -1.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.08 2hfv s ARG 94 Cb -0.16 -5.52 0.20 0.00 -1.56 0.00 0.00 34.95 27.91 2hfv s ARG 94 CO 0.09 -2.35 0.64 0.45 -0.81 0.00 0.00 175.30 173.32 2hfv s SER 95 N 4.37 5.65 0.32 -2.12 0.15 -1.26 -4.85 113.70 115.95 2hfv s SER 95 Ca 0.55 -3.45 0.03 0.00 0.70 0.00 0.00 55.95 53.78 2hfv s SER 95 Cb 0.04 -1.87 0.53 0.00 -1.71 0.00 0.00 66.02 63.01 2hfv s SER 95 CO 0.08 -0.24 1.83 0.44 1.20 0.00 0.00 173.24 176.55 2hfv h ASP 96 N 6.29 0.51 0.00 5.45 3.32 -1.98 -3.55 116.42 126.47 2hfv h ASP 96 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2hfv h ASP 96 Cb 0.85 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2hfv h ASP 96 CO 0.79 0.63 0.00 -0.90 -1.72 0.00 0.00 179.24 178.04