#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 -2.91 3.70 -5.12 0.00 -1.26 -5.00 105.19 94.60 2hfv n GLY 2 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 7.03 -0.33 1.61 0.15 -1.26 -5.03 113.70 115.88 2hfv s SER 3 Ca 0.00 1.25 0.04 0.00 0.70 0.00 0.00 55.95 57.94 2hfv s SER 3 Cb 0.00 -2.45 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 2hfv s SER 3 CO 0.00 -0.24 0.03 -0.94 1.20 0.00 0.00 173.24 173.29 2hfv s SER 4 N 0.97 4.71 -0.29 5.45 1.04 -1.26 -5.04 113.70 119.28 2hfv s SER 4 Ca 0.40 -2.06 -0.09 0.00 0.48 0.00 0.00 55.95 54.68 2hfv s SER 4 Cb -0.18 -1.60 0.13 0.00 0.10 0.00 0.00 66.02 64.47 2hfv s SER 4 CO 0.18 -0.36 0.61 -1.38 0.98 0.00 0.00 173.24 173.27 2hfv s HIS 5 N 0.94 -1.29 -0.20 5.02 0.00 -1.26 -5.13 115.29 113.37 2hfv s HIS 5 Ca 0.09 2.15 -0.05 0.00 -3.00 0.00 0.00 55.06 54.25 2hfv s HIS 5 Cb -0.19 0.71 0.10 0.00 -4.00 0.00 0.00 32.58 29.20 2hfv s HIS 5 CO -0.08 -0.67 0.35 -1.58 -1.00 0.00 0.00 174.74 171.76 2hfv s HIS 6 N 2.85 -0.67 -0.50 0.38 2.46 -1.26 -5.12 115.29 113.43 2hfv s HIS 6 Ca -0.03 1.05 -0.20 0.00 0.47 0.00 0.00 55.06 56.36 2hfv s HIS 6 Cb -0.12 0.07 0.05 0.00 -0.13 0.00 0.00 32.58 32.45 2hfv s HIS 6 CO -0.18 -0.54 0.64 -1.58 -2.47 0.00 0.00 174.74 170.61 2hfv s HIS 7 N 2.52 3.03 -0.33 3.88 5.04 -1.26 -5.02 115.29 123.15 2hfv s HIS 7 Ca 0.04 -0.43 -0.10 0.00 -1.54 0.00 0.00 55.06 53.03 2hfv s HIS 7 Cb -0.13 -3.53 0.01 0.00 0.04 0.00 0.00 32.58 28.96 2hfv s HIS 7 CO -0.13 -1.03 0.17 -3.38 -2.34 0.00 0.00 174.74 168.04 2hfv s HIS 8 N 2.74 3.20 -0.24 3.88 0.00 -1.26 -5.02 115.29 118.58 2hfv s HIS 8 Ca 0.17 -0.73 -0.02 0.00 -3.00 0.00 0.00 55.06 51.47 2hfv s HIS 8 Cb -0.18 -2.38 0.13 0.00 -4.00 0.00 0.00 32.58 26.15 2hfv s HIS 8 CO 0.13 -0.53 0.33 -1.01 -1.00 0.00 0.00 174.74 172.67 2hfv s HIS 9 N 1.59 -0.66 -0.29 0.38 4.02 -1.26 -5.14 115.29 113.93 2hfv s HIS 9 Ca 0.04 0.52 -0.14 0.00 1.02 0.00 0.00 55.06 56.50 2hfv s HIS 9 Cb -0.18 -0.14 0.10 0.00 -1.02 0.00 0.00 32.58 31.34 2hfv s HIS 9 CO 0.06 -0.74 0.70 -3.38 1.02 0.00 0.00 174.74 172.40 2hfv s HIS 10 N 2.47 -1.14 -0.43 1.40 -0.00 -1.26 -5.11 115.29 111.22 2hfv s HIS 10 Ca 0.11 2.14 0.06 0.00 -0.00 0.00 0.00 55.06 57.37 2hfv s HIS 10 Cb -0.15 0.68 0.18 0.00 -0.00 0.00 0.00 32.58 33.29 2hfv s HIS 10 CO -0.18 -0.57 0.57 -1.54 -0.00 0.00 0.00 174.74 173.02 2hfv s SER 11 N 2.13 -0.58 -0.19 7.38 1.04 -1.26 -5.13 113.70 117.09 2hfv s SER 11 Ca -0.08 -1.45 -0.08 0.00 0.48 0.00 0.00 55.95 54.81 2hfv s SER 11 Cb -0.08 1.39 0.08 0.00 0.10 0.00 0.00 66.02 67.51 2hfv s SER 11 CO -0.19 -0.16 0.43 -0.44 0.98 0.00 0.00 173.24 173.86 2hfv s SER 12 N 1.31 -0.42 0.00 7.02 0.01 -1.26 -5.10 113.70 115.26 2hfv s SER 12 Ca 0.22 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2hfv s SER 12 Cb -0.05 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.30 2hfv s SER 12 CO -0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2hfv n GLY 13 N 4.85 1.84 0.12 3.44 0.00 -1.26 -5.08 105.19 109.11 2hfv n GLY 13 Ca -0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2hfv n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hfv n ARG 14 N 0.00 0.43 -2.35 1.61 0.63 -1.26 -5.10 116.66 110.61 2hfv n ARG 14 Ca 0.00 0.11 -0.01 0.00 -0.92 0.00 0.00 57.85 57.03 2hfv n ARG 14 Cb 0.00 -1.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2hfv n GLU 15 N -3.10 -2.71 0.00 -0.14 2.13 -1.26 -5.04 120.64 110.53 2hfv n GLU 15 Ca -0.31 2.27 0.00 0.00 0.66 0.00 0.00 57.16 59.78 2hfv n GLU 15 Cb 0.82 -4.11 0.00 0.00 0.27 0.00 0.00 31.44 28.42 2hfv n GLU 15 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2hfv n ASN 16 N 0.67 0.00 -4.65 4.31 4.13 -1.26 -5.09 115.26 113.38 2hfv n ASN 16 Ca -0.07 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.79 2hfv n ASN 16 Cb 0.11 0.06 -0.07 0.00 -1.54 0.00 0.00 39.78 38.35 2hfv n ASN 16 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2hfv s LEU 17 N -4.42 4.11 -0.81 3.41 1.98 -1.26 -5.00 118.68 116.69 2hfv s LEU 17 Ca 0.00 0.70 -0.26 0.00 -2.89 0.00 0.00 54.13 51.68 2hfv s LEU 17 Cb 0.00 -2.77 0.04 0.00 0.66 0.00 0.00 46.19 44.11 2hfv s LEU 17 CO 0.00 -0.26 1.32 -0.31 -1.89 0.00 0.00 176.35 175.21 2hfv s TYR 18 N 1.97 2.35 0.72 5.38 2.02 -1.26 -5.00 117.35 123.53 2hfv s TYR 18 Ca 0.25 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.61 2hfv s TYR 18 Cb -0.16 -4.64 0.07 0.00 -0.40 0.00 0.00 41.96 36.83 2hfv s TYR 18 CO 0.09 -2.04 1.04 -0.59 -1.57 0.00 0.00 175.55 172.49 2hfv s PHE 19 N 5.51 2.86 -0.29 2.71 -0.12 -1.26 -5.06 117.98 122.34 2hfv s PHE 19 Ca 0.38 0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 57.60 2hfv s PHE 19 Cb -0.06 -3.25 -0.05 0.00 -0.63 0.00 0.00 43.02 39.04 2hfv s PHE 19 CO 0.08 -1.48 0.20 -1.14 -0.05 0.00 0.00 175.22 172.83 2hfv s GLN 20 N -5.30 3.91 -0.19 1.99 0.74 -1.26 -4.96 119.66 114.60 2hfv s GLN 20 Ca 0.61 -0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.71 2hfv s GLN 20 Cb -0.11 -3.67 0.35 0.00 1.10 0.00 0.00 33.01 30.68 2hfv s GLN 20 CO 0.45 -0.20 1.34 0.41 -0.55 0.00 0.00 175.29 176.74 2hfv n GLY 21 N 5.06 2.91 0.00 2.59 0.00 -1.26 -3.76 105.19 110.73 2hfv n GLY 21 Ca -0.14 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.49 2hfv n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hfv n HIS 22 N -0.11 0.04 -0.65 1.61 -0.00 -1.26 -5.05 115.22 109.80 2hfv n HIS 22 Ca 0.24 0.01 0.01 0.00 -0.00 0.00 0.00 57.72 57.98 2hfv n HIS 22 Cb 0.96 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.99 30.76 2hfv n HIS 22 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hfv n LEU 23 N -1.57 -0.67 -4.45 0.27 4.32 -1.25 -5.05 117.00 108.60 2hfv n LEU 23 Ca 0.04 1.17 -0.22 0.00 -0.02 0.00 0.00 56.01 56.98 2hfv n LEU 23 Cb 0.35 -0.78 -0.10 0.00 -1.62 0.00 0.00 43.42 41.26 2hfv n LEU 23 CO 0.38 -0.40 -0.34 -0.13 -1.22 0.00 0.00 177.39 175.68 2hfv s ARG 24 N -4.47 1.61 -0.11 3.23 0.52 -0.99 -4.97 118.95 113.77 2hfv s ARG 24 Ca 0.00 -1.84 -0.30 0.00 -0.52 0.00 0.00 55.73 53.07 2hfv s ARG 24 Cb 0.00 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 2hfv s ARG 24 CO 0.00 -0.00 1.10 -1.21 0.02 0.00 0.00 175.30 175.21 2hfv s GLU 25 N -3.75 4.36 0.17 3.54 8.01 -1.26 -2.08 118.70 127.69 2hfv s GLU 25 Ca 0.31 1.51 0.07 0.00 0.01 0.00 0.00 54.97 56.87 2hfv s GLU 25 Cb 0.05 -3.58 -0.02 0.00 -4.31 0.00 0.00 34.13 26.27 2hfv s GLU 25 CO 0.13 -0.43 1.38 1.25 0.01 0.00 0.00 175.26 177.60 2hfv h LEU 26 N 8.39 0.07 -7.03 1.80 7.12 0.31 -3.40 115.31 122.57 2hfv h LEU 26 Ca -0.30 -0.06 0.17 0.00 0.13 0.00 0.00 57.88 57.81 2hfv h LEU 26 Cb 1.14 -0.02 -0.16 0.00 -0.53 0.00 0.00 40.66 41.09 2hfv h LEU 26 CO 0.89 0.91 0.61 -1.48 -0.13 0.00 0.00 178.44 179.24 2hfv s LEU 27 N -7.11 -0.27 -0.26 2.25 2.34 -1.21 -4.21 118.68 110.21 2hfv s LEU 27 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.17 2hfv s LEU 27 Cb 0.11 1.80 0.07 0.00 -0.56 0.00 0.00 46.19 47.61 2hfv s LEU 27 CO 0.81 -0.49 0.01 -0.60 -1.06 0.00 0.00 176.35 175.01 2hfv s ARG 28 N -2.87 1.27 0.73 1.48 3.00 -1.06 -1.37 118.95 120.13 2hfv s ARG 28 Ca 0.07 -1.05 -0.11 0.00 -1.00 0.00 0.00 55.73 53.64 2hfv s ARG 28 Cb -0.01 -2.47 0.03 0.00 0.00 0.00 0.00 34.95 32.50 2hfv s ARG 28 CO -0.07 -0.74 1.09 -0.08 0.00 0.00 0.00 175.30 175.51 2hfv s THR 29 N 1.44 3.43 -0.61 4.11 -1.32 -0.25 -4.86 115.64 117.59 2hfv s THR 29 Ca 0.00 0.47 0.06 0.00 -1.21 0.00 0.00 61.69 61.01 2hfv s THR 29 Cb -0.18 -3.37 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 2hfv s THR 29 CO -0.11 -0.61 0.54 0.59 -2.21 0.00 0.00 174.62 172.82 2hfv n ASN 30 N -3.13 1.09 -4.12 8.08 3.02 -1.26 -4.19 115.26 114.74 2hfv n ASN 30 Ca 0.07 -1.04 -0.18 0.00 -0.03 0.00 0.00 54.58 53.40 2hfv n ASN 30 Cb 0.57 0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 39.96 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hfv s ASP 31 N -0.88 1.41 0.04 6.41 2.15 -1.26 -5.05 116.67 119.50 2hfv s ASP 31 Ca 0.06 -0.49 0.20 0.00 0.43 0.00 0.00 52.55 52.75 2hfv s ASP 31 Cb 0.05 -0.06 -0.16 0.00 -0.30 0.00 0.00 42.92 42.45 2hfv s ASP 31 CO 0.13 -0.04 0.70 0.00 -0.17 0.00 0.00 175.17 175.80 2hfv n ALA 32 N 1.74 2.25 0.11 3.66 0.00 -1.26 -4.07 120.51 122.95 2hfv n ALA 32 Ca -0.19 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.49 2hfv n ALA 32 Cb 0.55 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 1.37 -0.46 0.00 2.07 -2.02 -3.25 116.25 113.97 2hfv h VAL 33 Ca -0.13 -2.76 0.08 0.00 0.82 0.00 0.00 66.70 64.72 2hfv h VAL 33 Cb 1.37 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 34.00 2hfv h VAL 33 CO 0.02 0.82 0.31 0.25 0.02 0.00 0.00 177.57 178.99 2hfv h LEU 34 N 0.16 0.23 -1.05 2.57 5.85 -2.01 -1.43 115.31 119.63 2hfv h LEU 34 Ca -0.18 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2hfv h LEU 34 Cb 2.00 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.91 2hfv h LEU 34 CO 0.23 0.15 0.63 -0.07 -0.34 0.00 0.00 178.44 179.04 2hfv h LEU 35 N 0.26 0.96 -1.74 2.25 3.38 -1.70 0.10 115.31 118.82 2hfv h LEU 35 Ca 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2hfv h LEU 35 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hfv h LEU 35 CO -0.04 0.57 -0.17 0.28 0.09 0.00 0.00 178.44 179.16 2hfv h SER 36 N 1.06 0.00 0.04 -0.43 0.02 -1.42 -0.31 113.55 112.51 2hfv h SER 36 Ca 0.45 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.25 2hfv h SER 36 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2hfv h SER 36 CO -0.21 0.17 -0.78 0.00 -1.14 0.00 0.00 176.83 174.87 2hfv h ALA 37 N 1.83 0.11 -0.96 3.77 0.00 -1.11 -3.31 119.26 119.59 2hfv h ALA 37 Ca -0.00 -0.86 0.04 0.00 0.00 0.00 0.00 54.91 54.08 2hfv h ALA 37 Cb 0.38 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2hfv h ALA 37 CO 0.02 0.44 0.62 0.28 0.00 0.00 0.00 179.25 180.61 2hfv h VAL 38 N -0.77 1.16 0.00 0.00 2.07 -0.68 -2.61 116.25 115.43 2hfv h VAL 38 Ca -0.19 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2hfv h VAL 38 Cb 1.34 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2hfv h VAL 38 CO -0.03 0.22 -0.00 1.23 0.02 0.00 0.00 177.57 179.01 2hfv h GLY 39 N 1.20 -0.00 2.00 2.17 0.00 -1.22 -1.60 103.07 105.63 2hfv h GLY 39 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.69 2hfv h GLY 39 CO -0.13 -0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.29 2hfv h ALA 40 N 0.99 1.52 0.09 3.60 0.00 -1.59 0.10 119.26 123.97 2hfv h ALA 40 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hfv h ALA 40 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2hfv h ALA 40 CO 0.00 0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.29 2hfv h LEU 41 N 0.00 -0.10 -0.65 0.00 3.38 -1.06 -0.74 115.31 116.13 2hfv h LEU 41 Ca -0.00 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2hfv h LEU 41 Cb 0.27 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hfv h LEU 41 CO 0.02 0.38 0.08 -0.07 0.09 0.00 0.00 178.44 178.94 2hfv h LEU 42 N -0.61 1.06 -0.17 1.67 3.38 -0.72 -0.41 115.31 119.50 2hfv h LEU 42 Ca -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2hfv h LEU 42 Cb 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hfv h LEU 42 CO 0.02 1.06 0.04 0.44 0.09 0.00 0.00 178.44 180.09 2hfv h ASP 43 N 1.01 0.27 0.65 -0.43 5.19 -0.89 0.69 116.42 122.90 2hfv h ASP 43 Ca 0.19 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 2hfv h ASP 43 Cb 0.47 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2hfv h ASP 43 CO 0.02 0.43 -0.26 1.23 -3.12 0.00 0.00 179.24 177.54 2hfv h GLY 44 N 0.09 0.00 -0.72 2.75 0.00 -0.92 -2.20 103.07 102.07 2hfv h GLY 44 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2hfv h GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2hfv n ALA 45 N -2.30 2.55 -2.63 3.60 0.00 -0.18 -4.92 120.51 116.63 2hfv n ALA 45 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 2hfv n ALA 45 Cb 0.39 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 0.33 -4.94 -4.70 0.00 2.03 -0.83 -4.98 116.55 103.46 2hfv n ASP 46 Ca 0.18 -0.14 -0.39 0.00 0.52 0.00 0.00 54.79 54.95 2hfv n ASP 46 Cb 0.37 -3.90 -0.05 0.00 -0.72 0.00 0.00 41.12 36.82 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 -2.94 5.07 -0.67 5.18 1.01 0.21 -5.00 121.20 124.06 2hfv s ILE 47 Ca 0.14 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.81 2hfv s ILE 47 Cb -0.06 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2hfv s ILE 47 CO 0.18 0.23 1.71 -0.83 0.00 0.00 0.00 174.94 176.22 2hfv s GLY 48 N 0.86 0.40 0.15 6.18 0.00 -1.26 -4.59 107.32 109.05 2hfv s GLY 48 Ca 0.33 -0.93 0.10 0.00 0.00 0.00 0.00 44.72 44.22 2hfv s GLY 48 CO 0.14 3.21 -0.22 -2.38 0.00 0.00 0.00 173.10 173.85 2hfv s HIS 49 N 8.18 2.04 -0.27 1.90 -3.43 -1.26 -3.06 115.29 119.38 2hfv s HIS 49 Ca 0.58 -0.41 -0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2hfv s HIS 49 Cb -0.11 -1.06 0.08 0.00 -1.43 0.00 0.00 32.58 30.07 2hfv s HIS 49 CO 0.17 0.34 0.04 -1.17 -2.00 0.00 0.00 174.74 172.12 2hfv s LEU 50 N -2.34 2.47 -0.19 5.38 2.96 0.13 -4.98 118.68 122.10 2hfv s LEU 50 Ca 0.14 -1.42 -0.01 0.00 -0.22 0.00 0.00 54.13 52.62 2hfv s LEU 50 Cb -0.08 -1.01 0.05 0.00 0.50 0.00 0.00 46.19 45.65 2hfv s LEU 50 CO 0.07 -0.34 -0.03 0.68 -1.32 0.00 0.00 176.35 175.41 2hfv s VAL 51 N 1.50 1.07 -0.01 1.68 -7.23 -1.26 -2.43 120.40 113.72 2hfv s VAL 51 Ca 0.03 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 2hfv s VAL 51 Cb -0.18 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.41 2hfv s VAL 51 CO -0.14 -0.03 0.23 -1.48 -0.31 0.00 0.00 175.10 173.36 2hfv s LEU 52 N 1.63 1.19 0.00 1.32 0.05 -1.26 -5.12 118.68 116.48 2hfv s LEU 52 Ca -0.02 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.13 2hfv s LEU 52 Cb -0.17 0.97 0.00 0.00 -2.05 0.00 0.00 46.19 44.95 2hfv s LEU 52 CO -0.07 -0.40 0.00 -0.67 -0.55 0.00 0.00 176.35 174.66 2hfv n ASP 53 N 1.42 0.00 -4.14 1.48 2.03 -1.26 -4.97 116.55 111.12 2hfv n ASP 53 Ca -0.22 -0.07 -0.30 0.00 0.52 0.00 0.00 54.79 54.72 2hfv n ASP 53 Cb 0.56 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.79 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2hfv s GLN 54 N 0.79 2.63 0.19 -0.67 -0.21 -1.26 -5.11 119.66 116.02 2hfv s GLN 54 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 2hfv s GLN 54 Cb 0.00 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.84 2hfv s GLN 54 CO 0.00 0.06 1.01 1.21 -2.12 0.00 0.00 175.29 175.44 2hfv s ASN 55 N 0.64 7.46 0.00 5.90 3.84 -1.26 -4.98 114.94 126.55 2hfv s ASN 55 Ca -0.13 1.98 0.00 0.00 0.21 0.00 0.00 52.86 54.92 2hfv s ASN 55 Cb -0.16 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 2hfv s ASN 55 CO 0.03 -0.04 0.98 0.80 -2.79 0.00 0.00 177.10 176.09 2hfv n MET 56 N 2.04 0.00 0.00 0.43 0.00 -1.26 -4.95 117.12 113.38 2hfv n MET 56 Ca 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 57.70 58.45 2hfv n MET 56 Cb 0.47 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.21 2hfv n MET 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2hfv n SER 57 N -2.45 0.00 0.04 6.12 2.88 -1.26 -4.99 113.62 113.95 2hfv n SER 57 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2hfv n SER 57 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 2hfv n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hfv n ILE 58 N -0.28 0.24 -3.37 2.46 3.06 -1.26 -4.72 119.36 115.49 2hfv n ILE 58 Ca 0.00 -0.22 -0.45 0.00 -2.50 0.00 0.00 62.75 59.59 2hfv n ILE 58 Cb 0.00 0.04 -0.05 0.00 0.54 0.00 0.00 39.64 40.16 2hfv n ILE 58 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2hfv s LEU 59 N -3.92 6.13 0.00 9.51 2.96 -1.26 -4.99 118.68 127.11 2hfv s LEU 59 Ca 0.06 -1.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.05 2hfv s LEU 59 Cb 0.14 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2hfv s LEU 59 CO 0.74 -0.79 0.00 -0.62 -1.32 0.00 0.00 176.35 174.36 2hfv n GLU 60 N 5.03 0.00 0.00 1.98 1.02 -1.26 -5.08 120.64 122.33 2hfv n GLU 60 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2hfv n GLU 60 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hfv n GLY 61 N 0.00 1.81 0.00 0.62 0.00 -1.26 -4.75 105.19 101.60 2hfv n GLY 61 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2hfv n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 62 N 0.00 0.00 -3.77 1.61 7.64 -1.26 -4.87 113.62 112.97 2hfv n SER 62 Ca 0.00 0.48 -0.23 0.00 1.01 0.00 0.00 58.87 60.12 2hfv n SER 62 Cb 0.00 -0.28 -0.17 0.00 -1.01 0.00 0.00 64.21 62.75 2hfv n SER 62 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hfv s LEU 63 N -2.66 0.66 -1.20 -3.43 1.43 -1.26 -5.06 118.68 107.15 2hfv s LEU 63 Ca 0.00 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 2hfv s LEU 63 Cb 0.00 -0.47 0.22 0.00 0.03 0.00 0.00 46.19 45.97 2hfv s LEU 63 CO 0.00 -0.20 1.67 0.61 0.23 0.00 0.00 176.35 178.66 2hfv n GLY 64 N 5.13 4.72 3.56 -3.19 0.00 -1.26 -4.94 105.19 109.21 2hfv n GLY 64 Ca -0.07 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 2hfv n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfv s VAL 65 N -0.58 4.15 -0.30 1.61 1.01 -1.26 -4.93 120.40 120.10 2hfv s VAL 65 Ca 0.37 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 2hfv s VAL 65 Cb 0.06 -5.10 0.03 0.00 0.00 0.00 0.00 36.38 31.37 2hfv s VAL 65 CO 0.03 -1.93 0.05 -0.63 0.00 0.00 0.00 175.10 172.62 2hfv s ILE 66 N 4.22 3.58 -0.33 2.22 1.09 -1.26 -5.06 121.20 125.66 2hfv s ILE 66 Ca 0.49 -1.00 -0.28 0.00 -1.10 0.00 0.00 60.65 58.76 2hfv s ILE 66 Cb 0.01 -2.94 -0.03 0.00 -1.06 0.00 0.00 42.46 38.44 2hfv s ILE 66 CO -0.00 -0.02 1.99 -2.84 -0.10 0.00 0.00 174.94 173.97 2hfv s PRO 67 N 1.40 3.10 -0.09 2.79 0.02 -1.26 -4.97 135.00 135.99 2hfv s PRO 67 Ca -0.00 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.46 2hfv s PRO 67 Cb -0.18 -4.30 -0.05 0.00 0.02 0.00 0.00 34.50 29.99 2hfv s PRO 67 CO 0.01 -2.14 0.25 0.50 -0.33 0.00 0.00 177.00 175.29 2hfv s ARG 68 N 6.23 3.74 -0.10 5.54 6.06 -1.26 -4.96 118.95 134.20 2hfv s ARG 68 Ca 0.87 0.07 0.01 0.00 -2.50 0.00 0.00 55.73 54.18 2hfv s ARG 68 Cb -0.24 -3.24 -0.02 0.00 0.06 0.00 0.00 34.95 31.50 2hfv s ARG 68 CO 0.32 0.65 -0.12 1.03 -2.50 0.00 0.00 175.30 174.68 2hfv s ARG 69 N -0.77 3.11 -0.32 5.12 0.52 -1.26 -1.10 118.95 124.25 2hfv s ARG 69 Ca 0.18 -0.67 -0.10 0.00 -0.52 0.00 0.00 55.73 54.61 2hfv s ARG 69 Cb -0.14 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 2hfv s ARG 69 CO 0.07 0.36 0.17 0.08 0.02 0.00 0.00 175.30 176.00 2hfv s VAL 70 N -0.04 4.71 -0.03 3.52 1.01 -0.47 -4.75 120.40 124.35 2hfv s VAL 70 Ca -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2hfv s VAL 70 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2hfv s VAL 70 CO 0.04 0.02 0.09 -0.76 0.00 0.00 0.00 175.10 174.49 2hfv s LEU 71 N 1.62 3.98 0.17 3.92 1.02 -1.02 0.99 118.68 129.36 2hfv s LEU 71 Ca 0.05 0.21 -0.03 0.00 0.02 0.00 0.00 54.13 54.38 2hfv s LEU 71 Cb -0.17 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.77 2hfv s LEU 71 CO 0.07 0.30 0.13 0.68 0.02 0.00 0.00 176.35 177.55 2hfv s VAL 72 N -1.15 0.06 0.76 -1.59 -7.23 -0.88 0.17 120.40 110.53 2hfv s VAL 72 Ca 0.21 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 2hfv s VAL 72 Cb -0.12 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.67 2hfv s VAL 72 CO 0.12 -0.25 1.08 -1.00 -0.31 0.00 0.00 175.10 174.74 2hfv s HIS 73 N -4.08 2.92 -0.10 2.82 3.76 -1.17 -2.34 115.29 117.10 2hfv s HIS 73 Ca 0.29 1.26 0.30 0.00 -0.15 0.00 0.00 55.06 56.76 2hfv s HIS 73 Cb 0.06 -3.03 1.19 0.00 1.11 0.00 0.00 32.58 31.92 2hfv s HIS 73 CO 0.06 -1.58 1.89 0.93 -0.85 0.00 0.00 174.74 175.19 2hfv h GLU 74 N -0.96 0.00 -0.45 1.40 5.08 -1.96 0.19 114.58 117.88 2hfv h GLU 74 Ca -0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 2hfv h GLU 74 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2hfv h GLU 74 CO 0.58 0.00 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.02 2hfv h ASP 75 N 0.00 0.82 0.05 1.42 5.19 -1.91 -3.12 116.42 118.87 2hfv h ASP 75 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2hfv h ASP 75 Cb 0.52 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2hfv h ASP 75 CO 0.00 0.97 -0.42 0.47 -3.12 0.00 0.00 179.24 177.13 2hfv n ASP 76 N -4.15 1.77 0.16 6.45 9.92 -0.66 -4.58 116.55 125.47 2hfv n ASP 76 Ca 0.01 -1.36 -0.16 0.00 -0.53 0.00 0.00 54.79 52.76 2hfv n ASP 76 Cb 0.39 0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 41.18 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 2.11 -1.30 -0.93 0.64 7.12 -0.59 0.92 115.31 123.29 2hfv h LEU 77 Ca 0.00 0.13 -0.11 0.00 0.13 0.00 0.00 57.88 58.03 2hfv h LEU 77 Cb 0.69 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2hfv h LEU 77 CO 0.00 -0.54 -0.40 0.00 -0.13 0.00 0.00 178.44 177.37 2hfv h ALA 78 N -0.38 1.10 -0.24 1.25 0.00 -1.81 -1.95 119.26 117.24 2hfv h ALA 78 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2hfv h ALA 78 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2hfv h ALA 78 CO -0.20 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.52 2hfv h GLY 79 N 1.19 0.37 1.07 0.00 0.00 -1.62 -1.46 103.07 102.63 2hfv h GLY 79 Ca 0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2hfv h GLY 79 CO 0.06 0.18 -0.24 0.00 0.00 0.00 0.00 176.54 176.55 2hfv h ALA 80 N 0.96 0.61 0.21 3.60 0.00 -0.75 -2.12 119.26 121.76 2hfv h ALA 80 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2hfv h ALA 80 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 80 CO -0.01 0.60 -0.22 0.00 0.00 0.00 0.00 179.25 179.63 2hfv h ARG 81 N 0.74 -0.44 -0.42 0.00 3.08 -1.18 -0.95 114.38 115.21 2hfv h ARG 81 Ca 0.09 0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 2hfv h ARG 81 Cb 0.81 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2hfv h ARG 81 CO 0.07 -0.30 -0.17 -0.09 -1.07 0.00 0.00 179.97 178.41 2hfv h ARG 82 N -0.46 0.79 0.42 0.04 2.43 -1.30 -0.91 114.38 115.39 2hfv h ARG 82 Ca -0.00 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2hfv h ARG 82 Cb 0.43 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2hfv h ARG 82 CO -0.05 0.91 -0.25 1.25 -1.51 0.00 0.00 179.97 180.31 2hfv h LEU 83 N 0.70 -0.63 -1.56 3.80 5.85 -1.14 0.57 115.31 122.90 2hfv h LEU 83 Ca 0.11 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2hfv h LEU 83 Cb 0.68 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2hfv h LEU 83 CO 0.05 -0.40 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.44 2hfv h LEU 84 N -0.64 0.00 0.16 2.25 3.38 -1.10 -2.04 115.31 117.32 2hfv h LEU 84 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 2hfv h LEU 84 Cb 0.52 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.30 2hfv h LEU 84 CO 0.05 0.23 -1.04 0.74 0.09 0.00 0.00 178.44 178.52 2hfv h THR 85 N 0.00 1.41 -0.23 0.22 2.02 -0.83 0.30 112.91 115.81 2hfv h THR 85 Ca -0.00 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.54 2hfv h THR 85 Cb 0.48 3.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2hfv h THR 85 CO 0.03 0.74 -0.25 -0.78 0.37 0.00 0.00 175.52 175.63 2hfv h ASP 86 N -0.12 0.62 0.00 4.18 3.58 0.39 -3.36 116.42 121.70 2hfv h ASP 86 Ca -0.18 -0.48 -0.04 0.00 0.42 0.00 0.00 57.03 56.75 2hfv h ASP 86 Cb 1.80 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.59 2hfv h ASP 86 CO 0.20 0.97 -0.51 0.00 -2.88 0.00 0.00 179.24 177.02 2hfv n ALA 87 N -2.47 2.38 -1.38 -0.78 0.00 -0.79 -4.94 120.51 112.53 2hfv n ALA 87 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.37 2hfv n ALA 87 Cb 0.44 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.38 0.40 0.00 0.00 0.00 -0.83 -4.98 105.19 99.40 2hfv n GLY 88 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.60 0.00 -1.96 0.99 -0.00 1.00 -5.00 117.00 111.43 2hfv n LEU 89 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 2hfv n LEU 89 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2hfv n LEU 89 CO 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 177.39 177.17 2hfv n ALA 90 N -0.14 -0.46 0.07 1.47 0.00 -0.90 -4.85 120.51 115.70 2hfv n ALA 90 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.75 2hfv n ALA 90 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 2hfv n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hfv h HIS 91 N 0.00 0.00 -0.00 0.00 6.17 -1.95 -3.34 115.15 116.02 2hfv h HIS 91 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.63 2hfv h HIS 91 Cb 1.34 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.27 2hfv h HIS 91 CO 0.57 0.28 -0.53 0.39 0.71 0.00 0.00 177.93 179.35 2hfv n GLU 92 N -2.78 0.31 -2.08 5.26 -0.58 -1.26 -4.81 120.64 114.70 2hfv n GLU 92 Ca -0.05 -0.21 -0.33 0.00 -0.42 0.00 0.00 57.16 56.16 2hfv n GLU 92 Cb 0.69 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 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 -2.83 3.23 -0.02 -4.62 1.02 -1.26 -2.55 118.68 111.65 2hfv s LEU 93 Ca 0.14 -0.26 0.19 0.00 0.02 0.00 0.00 54.13 54.22 2hfv s LEU 93 Cb 0.18 -2.55 0.33 0.00 0.02 0.00 0.00 46.19 44.17 2hfv s LEU 93 CO 0.68 -2.52 1.14 0.54 0.02 0.00 0.00 176.35 176.20 2hfv n ARG 94 N 9.02 0.17 -0.39 1.70 1.74 -1.26 -4.78 116.66 122.86 2hfv n ARG 94 Ca 0.30 -1.90 0.04 0.00 -0.77 0.00 0.00 57.85 55.52 2hfv n ARG 94 Cb 0.49 -0.30 0.05 0.00 -1.02 0.00 0.00 32.46 31.69 2hfv n ARG 94 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2hfv n SER 95 N 0.19 0.86 -4.58 0.55 7.64 -1.26 -4.85 113.62 112.17 2hfv n SER 95 Ca 0.06 -2.40 -0.41 0.00 1.01 0.00 0.00 58.87 57.13 2hfv n SER 95 Cb 0.99 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.83 2hfv n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hfv s ASP 96 N -1.71 6.39 0.00 6.43 2.15 -1.26 -4.64 116.67 124.02 2hfv s ASP 96 Ca 0.13 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2hfv s ASP 96 Cb 0.11 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2hfv s ASP 96 CO 0.00 -0.45 0.00 -0.67 -0.17 0.00 0.00 175.17 173.88