#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfv s GLY 2 N 0.00 0.41 0.09 -5.12 0.00 -1.26 -5.14 107.32 96.30 2hfv s GLY 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2hfv s GLY 2 CO 0.00 0.43 0.00 -1.14 0.00 0.00 0.00 173.10 172.40 2hfv n SER 3 N 4.01 2.06 -3.76 1.64 3.41 -1.26 -5.16 113.62 114.56 2hfv n SER 3 Ca -0.26 -1.42 -0.14 0.00 -0.26 0.00 0.00 58.87 56.80 2hfv n SER 3 Cb 0.51 0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 2hfv n SER 3 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2hfv s SER 4 N -1.52 -0.09 0.28 4.04 0.15 -1.26 -5.14 113.70 110.16 2hfv s SER 4 Ca 0.01 0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 2hfv s SER 4 Cb 0.00 0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 64.37 2hfv s SER 4 CO 0.00 -0.14 1.06 -1.00 1.20 0.00 0.00 173.24 174.36 2hfv s HIS 5 N 1.07 3.67 -0.18 3.44 4.02 -1.26 -5.00 115.29 121.05 2hfv s HIS 5 Ca -0.08 1.76 -0.22 0.00 1.02 0.00 0.00 55.06 57.54 2hfv s HIS 5 Cb -0.11 -3.20 -0.02 0.00 -1.02 0.00 0.00 32.58 28.23 2hfv s HIS 5 CO -0.05 -0.29 0.66 -3.38 1.02 0.00 0.00 174.74 172.70 2hfv s HIS 6 N -1.19 3.40 0.17 1.40 0.00 -1.26 -5.04 115.29 112.77 2hfv s HIS 6 Ca 0.44 1.00 -0.08 0.00 -3.00 0.00 0.00 55.06 53.42 2hfv s HIS 6 Cb -0.30 -2.83 -0.01 0.00 -4.00 0.00 0.00 32.58 25.44 2hfv s HIS 6 CO 0.38 -0.16 0.27 -1.01 -1.00 0.00 0.00 174.74 173.22 2hfv s HIS 7 N 1.85 0.52 -0.15 0.38 4.02 -1.26 -5.18 115.29 115.47 2hfv s HIS 7 Ca 0.31 -0.87 -0.30 0.00 1.02 0.00 0.00 55.06 55.22 2hfv s HIS 7 Cb -0.16 -0.12 0.13 0.00 -1.02 0.00 0.00 32.58 31.41 2hfv s HIS 7 CO 0.11 -0.72 1.05 -3.38 1.02 0.00 0.00 174.74 172.81 2hfv s HIS 8 N -4.00 -0.30 -0.17 1.40 0.00 -1.26 -5.18 115.29 105.78 2hfv s HIS 8 Ca 0.21 0.44 -0.08 0.00 -3.00 0.00 0.00 55.06 52.63 2hfv s HIS 8 Cb 0.04 0.48 0.07 0.00 -4.00 0.00 0.00 32.58 29.16 2hfv s HIS 8 CO 0.02 -0.32 0.39 -3.38 -1.00 0.00 0.00 174.74 170.46 2hfv s HIS 9 N -1.54 -0.63 -0.02 0.38 -0.00 -1.26 -5.14 115.29 107.08 2hfv s HIS 9 Ca 0.02 1.30 0.02 0.00 -0.00 0.00 0.00 55.06 56.39 2hfv s HIS 9 Cb -0.01 0.24 0.00 0.00 -0.00 0.00 0.00 32.58 32.82 2hfv s HIS 9 CO -0.02 -0.37 -0.05 -1.01 -0.00 0.00 0.00 174.74 173.28 2hfv s HIS 10 N 1.78 0.61 -0.26 0.38 0.09 -1.26 -5.13 115.29 111.51 2hfv s HIS 10 Ca -0.07 -0.13 0.01 0.00 -0.00 0.00 0.00 55.06 54.87 2hfv s HIS 10 Cb -0.10 -0.46 0.07 0.00 -0.00 0.00 0.00 32.58 32.10 2hfv s HIS 10 CO -0.12 -0.07 -0.01 -1.12 -0.00 0.00 0.00 174.74 173.42 2hfv s SER 11 N 0.23 3.90 -0.31 1.40 0.01 -1.26 -5.09 113.70 112.57 2hfv s SER 11 Ca -0.03 -1.33 -0.05 0.00 1.31 0.00 0.00 55.95 55.85 2hfv s SER 11 Cb -0.07 -1.12 0.03 0.00 0.21 0.00 0.00 66.02 65.07 2hfv s SER 11 CO -0.00 -0.29 0.06 -0.44 0.41 0.00 0.00 173.24 172.98 2hfv s SER 12 N 1.42 5.05 0.00 2.44 0.01 -1.26 -5.03 113.70 116.33 2hfv s SER 12 Ca -0.01 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2hfv s SER 12 Cb -0.18 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2hfv s SER 12 CO -0.10 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2hfv n GLY 13 N 4.78 4.10 3.05 3.44 0.00 -1.26 -5.15 105.19 114.15 2hfv n GLY 13 Ca -0.14 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.01 1.37 -0.32 1.61 3.52 -1.26 -5.11 118.95 116.75 2hfv s ARG 14 Ca 0.00 -0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2hfv s ARG 14 Cb 0.00 -1.21 0.12 0.00 -1.56 0.00 0.00 34.95 32.30 2hfv s ARG 14 CO 0.00 0.13 0.18 -2.00 -0.81 0.00 0.00 175.30 172.80 2hfv s GLU 15 N 0.25 0.38 -0.02 5.12 2.12 -1.26 -4.92 118.70 120.38 2hfv s GLU 15 Ca -0.06 -0.93 0.03 0.00 0.36 0.00 0.00 54.97 54.37 2hfv s GLU 15 Cb -0.11 -1.21 0.04 0.00 0.26 0.00 0.00 34.13 33.11 2hfv s GLU 15 CO 0.02 -1.12 0.91 0.09 -0.54 0.00 0.00 175.26 174.61 2hfv n ASN 16 N 4.62 0.45 -4.74 -1.70 3.02 -1.26 -5.02 115.26 110.64 2hfv n ASN 16 Ca 0.04 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 2hfv n ASN 16 Cb 0.40 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 2hfv n ASN 16 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2hfv s LEU 17 N -0.47 4.51 0.00 3.41 2.96 -1.26 -2.90 118.68 124.93 2hfv s LEU 17 Ca 0.05 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 2hfv s LEU 17 Cb 0.04 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2hfv s LEU 17 CO 0.00 -0.16 0.00 -1.22 -1.32 0.00 0.00 176.35 173.65 2hfv n TYR 18 N 2.22 0.00 -0.01 5.38 4.01 -1.26 -4.75 117.16 122.76 2hfv n TYR 18 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 2hfv n TYR 18 Cb 0.46 -0.24 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 2hfv n TYR 18 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2hfv h PHE 19 N 0.00 0.74 -2.63 -0.72 3.57 -1.92 -3.42 116.94 112.55 2hfv h PHE 19 Ca 0.00 -0.25 -0.55 0.00 3.53 0.00 0.00 57.97 60.70 2hfv h PHE 19 Cb 0.00 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2hfv h PHE 19 CO 0.00 0.99 1.10 -1.14 -2.23 0.00 0.00 178.31 177.03 2hfv s GLN 20 N -4.06 4.09 0.00 1.11 0.74 -1.23 -4.44 119.66 115.86 2hfv s GLN 20 Ca -0.08 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.41 2hfv s GLN 20 Cb 0.11 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 30.23 2hfv s GLN 20 CO 0.84 -0.95 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2hfv n GLY 21 N 4.25 0.00 0.00 2.59 0.00 -1.26 -5.09 105.19 105.68 2hfv n GLY 21 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 -4.63 1.61 -0.00 -1.26 -4.88 115.22 106.06 2hfv n HIS 22 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2hfv n HIS 22 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 2hfv n HIS 22 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2hfv s LEU 23 N 0.00 2.16 0.17 0.27 1.02 -1.26 -0.90 118.68 120.14 2hfv s LEU 23 Ca 0.00 -0.51 0.09 0.00 0.02 0.00 0.00 54.13 53.73 2hfv s LEU 23 Cb 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 2hfv s LEU 23 CO 0.00 0.15 -0.19 -0.13 0.02 0.00 0.00 176.35 176.20 2hfv s ARG 24 N -1.15 1.33 -0.22 1.70 1.81 -0.67 -4.86 118.95 116.88 2hfv s ARG 24 Ca 0.07 -1.43 -0.28 0.00 -1.72 0.00 0.00 55.73 52.36 2hfv s ARG 24 Cb -0.09 -1.44 -0.04 0.00 -0.45 0.00 0.00 34.95 32.93 2hfv s ARG 24 CO 0.02 0.30 2.05 -1.21 -0.68 0.00 0.00 175.30 175.78 2hfv s GLU 25 N -2.77 3.32 0.32 3.54 8.01 -1.26 -2.38 118.70 127.48 2hfv s GLU 25 Ca 0.17 1.91 0.18 0.00 0.01 0.00 0.00 54.97 57.25 2hfv s GLU 25 Cb -0.06 -4.29 0.15 0.00 -4.31 0.00 0.00 34.13 25.62 2hfv s GLU 25 CO 0.07 -1.89 1.45 1.25 0.01 0.00 0.00 175.26 176.16 2hfv h LEU 26 N 14.11 0.00 0.00 1.80 5.85 -0.17 -3.44 115.31 133.46 2hfv h LEU 26 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2hfv h LEU 26 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2hfv h LEU 26 CO 0.98 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 179.38 2hfv n LEU 27 N -3.14 0.00 -3.77 2.25 -0.00 -1.20 -1.38 117.00 109.77 2hfv n LEU 27 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.90 2hfv n LEU 27 Cb 0.66 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.99 2hfv n LEU 27 CO 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 177.39 177.78 2hfv s ARG 28 N -2.00 0.59 0.08 1.47 1.70 -1.26 -0.70 118.95 118.82 2hfv s ARG 28 Ca 0.00 -0.04 -0.27 0.00 -0.47 0.00 0.00 55.73 54.94 2hfv s ARG 28 Cb 0.00 0.26 0.09 0.00 -0.57 0.00 0.00 34.95 34.73 2hfv s ARG 28 CO 0.00 -0.15 1.08 -0.08 -1.08 0.00 0.00 175.30 175.08 2hfv s THR 29 N -0.96 0.00 -1.22 4.99 -1.32 -0.93 -4.70 115.64 111.49 2hfv s THR 29 Ca -0.10 -0.46 0.23 0.00 -1.21 0.00 0.00 61.69 60.14 2hfv s THR 29 Cb -0.05 -1.94 -0.11 0.00 -1.51 0.00 0.00 72.50 68.90 2hfv s THR 29 CO 0.03 0.00 1.09 -0.46 -2.21 0.00 0.00 174.62 173.07 2hfv n ASN 30 N -0.46 1.06 -4.82 8.08 6.94 -1.26 -1.43 115.26 123.37 2hfv n ASN 30 Ca -0.07 -0.91 -0.34 0.00 -0.02 0.00 0.00 54.58 53.24 2hfv n ASN 30 Cb 0.61 0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 38.66 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 -2.88 6.97 0.00 0.53 2.15 -1.26 -4.87 116.67 117.30 2hfv s ASP 31 Ca 0.12 1.57 0.11 0.00 0.43 0.00 0.00 52.55 54.77 2hfv s ASP 31 Cb 0.17 -2.48 -0.11 0.00 -0.30 0.00 0.00 42.92 40.19 2hfv s ASP 31 CO 0.76 -0.23 0.48 0.00 -0.17 0.00 0.00 175.17 176.01 2hfv n ALA 32 N -0.23 3.42 0.06 3.66 0.00 -1.26 -4.38 120.51 121.77 2hfv n ALA 32 Ca 0.04 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 2hfv n ALA 32 Cb 0.53 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 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 0.05 1.45 -0.33 0.00 2.07 -2.01 -3.14 116.25 114.34 2hfv h VAL 33 Ca 0.00 -2.47 -0.15 0.00 0.82 0.00 0.00 66.70 64.90 2hfv h VAL 33 Cb 0.26 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2hfv h VAL 33 CO 0.00 0.71 -0.38 0.25 0.02 0.00 0.00 177.57 178.17 2hfv h LEU 34 N -0.20 0.90 -1.01 2.57 5.85 -2.01 -3.24 115.31 118.18 2hfv h LEU 34 Ca -0.15 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.02 2hfv h LEU 34 Cb 1.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 2hfv h LEU 34 CO 0.17 1.20 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.40 2hfv h LEU 35 N 0.62 0.67 -1.34 2.25 3.38 -1.77 -0.67 115.31 118.46 2hfv h LEU 35 Ca 0.05 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2hfv h LEU 35 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2hfv h LEU 35 CO 0.09 0.75 -0.33 0.77 0.09 0.00 0.00 178.44 179.81 2hfv h SER 36 N 0.66 0.00 -0.11 -0.43 4.64 -1.60 -0.21 113.55 116.51 2hfv h SER 36 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 2hfv h SER 36 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2hfv h SER 36 CO 0.02 0.33 -0.55 0.00 -0.87 0.00 0.00 176.83 175.76 2hfv h ALA 37 N 1.67 0.22 -0.84 5.18 0.00 -1.30 -2.88 119.26 121.32 2hfv h ALA 37 Ca -0.00 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2hfv h ALA 37 Cb 0.59 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2hfv h ALA 37 CO 0.04 0.43 0.52 0.28 0.00 0.00 0.00 179.25 180.52 2hfv h VAL 38 N 0.19 1.05 -0.12 0.00 2.07 -0.77 -2.56 116.25 116.11 2hfv h VAL 38 Ca -0.04 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2hfv h VAL 38 Cb 1.19 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2hfv h VAL 38 CO 0.11 0.17 -0.07 1.23 0.02 0.00 0.00 177.57 179.04 2hfv h GLY 39 N 0.95 0.04 1.41 2.17 0.00 -1.00 -1.53 103.07 105.10 2hfv h GLY 39 Ca 0.36 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.81 2hfv h GLY 39 CO -0.17 -0.09 0.33 0.00 0.00 0.00 0.00 176.54 176.62 2hfv h ALA 40 N 1.04 1.77 -0.20 3.60 0.00 -1.25 0.19 119.26 124.41 2hfv h ALA 40 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2hfv h ALA 40 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hfv h ALA 40 CO -0.16 0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 179.16 2hfv h LEU 41 N 0.56 0.37 -0.98 0.00 3.38 -1.03 0.14 115.31 117.74 2hfv h LEU 41 Ca 0.20 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2hfv h LEU 41 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2hfv h LEU 41 CO -0.05 0.64 -0.43 -0.07 0.09 0.00 0.00 178.44 178.62 2hfv h LEU 42 N 0.10 0.17 -0.38 1.67 3.38 -0.44 -0.41 115.31 119.40 2hfv h LEU 42 Ca 0.05 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2hfv h LEU 42 Cb 0.47 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2hfv h LEU 42 CO 0.02 0.59 -0.53 0.44 0.09 0.00 0.00 178.44 179.05 2hfv h ASP 43 N 0.14 0.87 -0.44 -0.43 3.32 -0.55 -0.43 116.42 118.89 2hfv h ASP 43 Ca 0.01 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 2hfv h ASP 43 Cb 0.82 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2hfv h ASP 43 CO 0.06 1.23 0.01 1.23 -1.72 0.00 0.00 179.24 180.06 2hfv h GLY 44 N 0.82 0.83 2.00 2.75 0.00 -0.28 -2.22 103.07 106.97 2hfv h GLY 44 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2hfv h GLY 44 CO 0.11 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.20 2hfv n ALA 45 N -2.41 2.16 -2.89 3.60 0.00 -0.20 -4.90 120.51 115.86 2hfv n ALA 45 Ca -0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 2hfv n ALA 45 Cb 0.29 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.53 -5.72 0.03 0.00 2.03 -0.50 -4.89 116.55 105.98 2hfv n ASP 46 Ca 0.06 -0.24 -0.07 0.00 0.52 0.00 0.00 54.79 55.07 2hfv n ASP 46 Cb 0.30 -4.57 -0.12 0.00 -0.72 0.00 0.00 41.12 36.02 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 -1.14 1.20 0.00 5.18 2.04 -1.40 -3.49 117.51 119.89 2hfv h ILE 47 Ca -0.48 -2.93 0.00 0.00 1.00 0.00 0.00 64.86 62.45 2hfv h ILE 47 Cb 1.33 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2hfv h ILE 47 CO 0.52 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.96 2hfv n GLY 48 N 1.43 0.46 3.63 5.37 0.00 -1.13 -4.76 105.19 110.20 2hfv n GLY 48 Ca -0.08 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 2hfv n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfv s HIS 49 N -2.04 -0.81 -0.41 1.61 -3.43 -1.26 -4.79 115.29 104.17 2hfv s HIS 49 Ca 0.00 1.88 -0.06 0.00 -0.80 0.00 0.00 55.06 56.08 2hfv s HIS 49 Cb 0.00 0.35 0.09 0.00 -1.43 0.00 0.00 32.58 31.59 2hfv s HIS 49 CO 0.00 -0.39 0.22 -1.17 -2.00 0.00 0.00 174.74 171.40 2hfv s LEU 50 N 0.64 5.11 -0.57 5.38 1.98 0.85 -4.96 118.68 127.11 2hfv s LEU 50 Ca -0.02 -1.70 0.04 0.00 -2.89 0.00 0.00 54.13 49.56 2hfv s LEU 50 Cb -0.05 -1.91 0.14 0.00 0.66 0.00 0.00 46.19 45.03 2hfv s LEU 50 CO -0.04 -0.53 0.32 0.68 -1.89 0.00 0.00 176.35 174.89 2hfv s VAL 51 N 1.30 2.73 0.21 1.68 -7.23 -1.26 -0.22 120.40 117.62 2hfv s VAL 51 Ca 0.04 -3.52 0.06 0.00 -1.81 0.00 0.00 61.98 56.75 2hfv s VAL 51 Cb -0.23 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2hfv s VAL 51 CO -0.01 -0.85 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.09 2hfv s LEU 52 N -0.55 2.45 0.00 1.32 1.43 -1.12 -4.90 118.68 117.31 2hfv s LEU 52 Ca 0.19 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2hfv s LEU 52 Cb -0.21 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2hfv s LEU 52 CO -0.04 -0.32 0.00 -0.90 0.23 0.00 0.00 176.35 175.32 2hfv n ASP 53 N -0.38 0.00 0.00 2.29 5.75 -1.26 -0.80 116.55 122.15 2hfv n ASP 53 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2hfv n ASP 53 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 2hfv n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hfv n GLN 54 N 0.00 0.00 -3.52 0.11 1.13 -1.26 -4.70 117.38 109.14 2hfv n GLN 54 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2hfv n GLN 54 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 2hfv n GLN 54 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2hfv s ASN 55 N 0.36 -0.38 -0.30 1.08 2.47 -1.26 -5.14 114.94 111.77 2hfv s ASN 55 Ca 0.00 0.11 -0.08 0.00 0.42 0.00 0.00 52.86 53.31 2hfv s ASN 55 Cb 0.00 0.38 -0.00 0.00 -1.45 0.00 0.00 41.25 40.17 2hfv s ASN 55 CO 0.00 -0.57 0.12 -0.32 -3.72 0.00 0.00 177.10 172.61 2hfv s MET 56 N -2.64 3.30 -0.21 0.43 -2.45 -1.26 -5.06 119.30 111.42 2hfv s MET 56 Ca 0.03 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 53.66 2hfv s MET 56 Cb -0.01 -3.47 0.09 0.00 1.25 0.00 0.00 34.83 32.69 2hfv s MET 56 CO -0.06 -0.39 0.47 -1.12 1.05 0.00 0.00 175.02 174.97 2hfv s SER 57 N 1.58 -0.48 -0.39 1.11 0.01 -1.26 -5.12 113.70 109.14 2hfv s SER 57 Ca 0.04 1.09 -0.29 0.00 1.31 0.00 0.00 55.95 58.11 2hfv s SER 57 Cb -0.17 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.42 2hfv s SER 57 CO 0.05 -0.22 1.55 -0.51 0.41 0.00 0.00 173.24 174.51 2hfv s ILE 58 N 2.32 3.75 0.04 1.44 1.10 -1.26 -4.97 121.20 123.61 2hfv s ILE 58 Ca -0.05 0.75 -0.01 0.00 -0.51 0.00 0.00 60.65 60.83 2hfv s ILE 58 Cb -0.11 -4.02 -0.03 0.00 0.15 0.00 0.00 42.46 38.46 2hfv s ILE 58 CO -0.14 -0.66 -0.01 -0.22 -2.11 0.00 0.00 174.94 171.80 2hfv s LEU 59 N 6.00 2.27 -0.48 8.50 2.96 -1.26 -5.10 118.68 131.57 2hfv s LEU 59 Ca 0.67 -0.72 -0.28 0.00 -0.22 0.00 0.00 54.13 53.58 2hfv s LEU 59 Cb -0.16 0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.76 2hfv s LEU 59 CO 0.33 -0.47 1.53 -1.83 -1.32 0.00 0.00 176.35 174.59 2hfv s GLU 60 N -2.72 3.32 0.00 1.98 -1.05 -1.26 -4.86 118.70 114.11 2hfv s GLU 60 Ca -0.04 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 2hfv s GLU 60 Cb -0.01 -4.13 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 2hfv s GLU 60 CO -0.06 -1.89 0.00 0.41 0.95 0.00 0.00 175.26 174.68 2hfv n GLY 61 N 5.28 2.43 0.10 -3.83 0.00 -1.26 -5.03 105.19 102.87 2hfv n GLY 61 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 2hfv n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hfv h SER 62 N 0.00 0.00 0.00 1.61 0.02 -2.05 -3.50 113.55 109.63 2hfv h SER 62 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hfv h SER 62 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hfv h SER 62 CO 0.00 0.69 0.00 0.18 -1.14 0.00 0.00 176.83 176.56 2hfv n LEU 63 N -3.03 0.00 0.00 5.07 4.32 -1.26 -4.98 117.00 117.13 2hfv n LEU 63 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2hfv n LEU 63 Cb 0.87 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.67 2hfv n LEU 63 CO 0.43 -0.32 0.00 0.61 -1.22 0.00 0.00 177.39 176.89 2hfv n GLY 64 N 0.00 0.79 3.57 -0.72 0.00 -1.26 -5.10 105.19 102.47 2hfv n GLY 64 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.15 -0.50 1.61 1.01 -1.26 -4.97 120.40 120.45 2hfv s VAL 65 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2hfv s VAL 65 Cb 0.00 -4.65 0.13 0.00 0.00 0.00 0.00 36.38 31.86 2hfv s VAL 65 CO 0.00 -1.22 0.24 -0.63 0.00 0.00 0.00 175.10 173.49 2hfv s ILE 66 N 4.59 2.65 -0.59 2.22 -1.09 -1.26 -5.00 121.20 122.71 2hfv s ILE 66 Ca 0.40 -3.11 -0.19 0.00 -2.23 0.00 0.00 60.65 55.52 2hfv s ILE 66 Cb -0.09 -2.84 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 2hfv s ILE 66 CO 0.25 -0.77 0.70 -2.16 -1.23 0.00 0.00 174.94 171.72 2hfv s PRO 67 N -0.06 3.05 0.01 2.79 0.04 -1.26 -4.35 135.00 135.22 2hfv s PRO 67 Ca 0.16 -1.36 -0.20 0.00 0.04 0.00 0.00 61.00 59.64 2hfv s PRO 67 Cb -0.24 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 29.96 2hfv s PRO 67 CO -0.02 -1.53 0.57 0.50 0.04 0.00 0.00 177.00 176.57 2hfv s ARG 68 N 2.59 4.27 -0.02 4.56 3.52 -0.51 -4.41 118.95 128.94 2hfv s ARG 68 Ca 0.11 0.71 0.04 0.00 -0.13 0.00 0.00 55.73 56.45 2hfv s ARG 68 Cb -0.24 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2hfv s ARG 68 CO 0.06 0.45 -0.12 1.03 -0.81 0.00 0.00 175.30 175.91 2hfv s ARG 69 N -0.44 2.49 -0.43 5.12 3.00 0.02 -2.20 118.95 126.50 2hfv s ARG 69 Ca 0.30 -0.72 -0.13 0.00 0.00 0.00 0.00 55.73 55.17 2hfv s ARG 69 Cb -0.18 -2.42 0.06 0.00 0.00 0.00 0.00 34.95 32.41 2hfv s ARG 69 CO 0.17 0.61 0.31 0.08 0.00 0.00 0.00 175.30 176.47 2hfv s VAL 70 N -0.85 4.88 -0.15 3.52 1.01 0.12 -2.80 120.40 126.14 2hfv s VAL 70 Ca 0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 2hfv s VAL 70 Cb -0.11 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2hfv s VAL 70 CO 0.03 -0.45 0.02 -0.76 0.00 0.00 0.00 175.10 173.94 2hfv s LEU 71 N 1.58 3.59 0.20 3.92 1.02 0.69 0.63 118.68 130.32 2hfv s LEU 71 Ca 0.04 0.04 0.11 0.00 0.02 0.00 0.00 54.13 54.34 2hfv s LEU 71 Cb -0.22 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 2hfv s LEU 71 CO 0.06 0.23 -0.23 0.68 0.02 0.00 0.00 176.35 177.12 2hfv s VAL 72 N -0.00 2.29 0.47 -1.59 -7.23 -1.00 -0.11 120.40 113.23 2hfv s VAL 72 Ca 0.04 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 2hfv s VAL 72 Cb -0.13 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.63 2hfv s VAL 72 CO 0.02 -0.19 1.30 -2.28 -0.31 0.00 0.00 175.10 173.64 2hfv s HIS 73 N -1.86 2.61 -0.85 2.82 2.46 -1.26 -1.68 115.29 117.53 2hfv s HIS 73 Ca 0.21 1.41 -0.20 0.00 0.47 0.00 0.00 55.06 56.95 2hfv s HIS 73 Cb -0.07 -3.68 -0.13 0.00 -0.13 0.00 0.00 32.58 28.57 2hfv s HIS 73 CO 0.10 -2.32 1.98 0.39 -2.47 0.00 0.00 174.74 172.41 2hfv n GLU 74 N -0.44 1.69 0.02 2.88 1.02 -0.08 -3.40 120.64 122.34 2hfv n GLU 74 Ca 0.07 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.31 2hfv n GLU 74 Cb 0.45 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 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 7.08 -0.09 -2.39 1.62 8.00 -1.26 -4.76 116.55 124.74 2hfv n ASP 75 Ca 0.50 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.76 2hfv n ASP 75 Cb 0.38 0.16 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.65 6.41 0.12 -2.24 8.00 -1.22 -4.68 116.55 120.29 2hfv n ASP 76 Ca 0.00 -3.78 -0.13 0.00 0.71 0.00 0.00 54.79 51.59 2hfv n ASP 76 Cb 0.00 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.28 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2hfv h LEU 77 N 2.35 -0.25 -1.24 0.64 -0.00 -1.92 0.21 115.31 115.10 2hfv h LEU 77 Ca 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 58.16 2hfv h LEU 77 Cb 0.87 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.59 2hfv h LEU 77 CO 1.21 0.04 -0.14 0.00 -0.00 0.00 0.00 178.44 179.55 2hfv h ALA 78 N 0.16 1.03 -0.02 1.53 0.00 -1.98 -0.68 119.26 119.30 2hfv h ALA 78 Ca -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2hfv h ALA 78 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2hfv h ALA 78 CO 0.05 0.18 -0.17 0.78 0.00 0.00 0.00 179.25 180.09 2hfv h GLY 79 N 2.04 0.17 1.22 0.00 0.00 -1.82 -2.11 103.07 102.57 2hfv h GLY 79 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2hfv h GLY 79 CO 0.02 0.22 -0.13 0.00 0.00 0.00 0.00 176.54 176.66 2hfv h ALA 80 N 0.33 0.86 0.00 3.60 0.00 -0.50 -1.56 119.26 121.99 2hfv h ALA 80 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2hfv h ALA 80 Cb 0.87 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hfv h ALA 80 CO 0.03 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.84 2hfv h ARG 81 N 0.81 0.00 0.06 0.00 3.08 -1.20 -0.10 114.38 117.03 2hfv h ARG 81 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2hfv h ARG 81 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2hfv h ARG 81 CO 0.05 0.09 -0.03 -0.09 -1.07 0.00 0.00 179.97 178.92 2hfv h ARG 82 N 0.00 -0.07 0.17 0.04 9.65 -0.64 -2.96 114.38 120.57 2hfv h ARG 82 Ca -0.00 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2hfv h ARG 82 Cb 0.17 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2hfv h ARG 82 CO 0.01 0.39 -0.08 1.25 2.80 0.00 0.00 179.97 184.34 2hfv h LEU 83 N -0.57 -0.19 -1.90 3.80 5.85 -0.71 -0.76 115.31 120.83 2hfv h LEU 83 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2hfv h LEU 83 Cb 0.50 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2hfv h LEU 83 CO 0.01 -0.14 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.79 2hfv h LEU 84 N -0.23 0.00 0.16 2.25 4.07 -1.15 0.67 115.31 121.09 2hfv h LEU 84 Ca -0.02 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.69 2hfv h LEU 84 Cb 0.17 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.93 2hfv h LEU 84 CO 0.04 0.12 -1.12 0.74 -1.08 0.00 0.00 178.44 177.14 2hfv h THR 85 N 0.00 1.34 -0.31 0.22 2.02 -1.31 0.19 112.91 115.06 2hfv h THR 85 Ca -0.00 -2.54 -0.07 0.00 0.77 0.00 0.00 66.41 64.56 2hfv h THR 85 Cb 0.24 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2hfv h THR 85 CO 0.02 0.74 -0.09 -0.78 0.37 0.00 0.00 175.52 175.77 2hfv h ASP 86 N -0.23 0.61 -1.45 4.18 3.58 -0.75 -3.42 116.42 118.94 2hfv h ASP 86 Ca -0.21 -0.38 -0.23 0.00 0.42 0.00 0.00 57.03 56.64 2hfv h ASP 86 Cb 1.80 -0.17 -0.24 0.00 1.72 0.00 0.00 39.33 42.44 2hfv h ASP 86 CO 0.16 0.85 -0.58 0.00 -2.88 0.00 0.00 179.24 176.79 2hfv s ALA 87 N -4.72 -1.34 0.01 -0.78 0.00 0.19 -5.01 121.76 110.12 2hfv s ALA 87 Ca -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2hfv s ALA 87 Cb 0.08 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2hfv s ALA 87 CO 0.79 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2hfv n GLY 88 N 4.01 -2.01 1.72 0.00 0.00 -1.01 -4.51 105.19 103.39 2hfv n GLY 88 Ca 0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -1.95 -2.37 -0.53 0.99 -0.00 0.60 -5.00 117.00 108.74 2hfv n LEU 89 Ca 0.00 0.57 -0.07 0.00 -0.00 0.00 0.00 56.01 56.52 2hfv n LEU 89 Cb 0.00 2.39 -0.03 0.00 -0.00 0.00 0.00 43.42 45.78 2hfv n LEU 89 CO 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 177.39 177.38 2hfv n ALA 90 N -3.06 -0.10 0.03 1.47 0.00 -0.85 -4.83 120.51 113.17 2hfv n ALA 90 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 2hfv n ALA 90 Cb 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 19.45 17.66 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 0.57 0.00 0.00 -0.00 -1.95 -3.44 115.15 110.33 2hfv h HIS 91 Ca -0.14 -0.42 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 2hfv h HIS 91 Cb 1.09 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2hfv h HIS 91 CO 0.60 1.69 0.00 0.39 -0.00 0.00 0.00 177.93 180.61 2hfv n GLU 92 N -3.65 0.00 -3.84 5.26 -0.58 -1.26 -4.91 120.64 111.66 2hfv n GLU 92 Ca -0.27 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.20 2hfv n GLU 92 Cb 1.02 -0.14 0.03 0.00 -0.57 0.00 0.00 31.44 31.78 2hfv n GLU 92 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2hfv n LEU 93 N -0.99 -2.74 -2.47 -4.62 4.77 -1.26 -3.71 117.00 106.00 2hfv n LEU 93 Ca 0.00 -0.79 -0.01 0.00 -0.03 0.00 0.00 56.01 55.18 2hfv n LEU 93 Cb 0.00 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.50 2hfv n LEU 93 CO 0.00 0.45 -0.36 -1.14 -1.33 0.00 0.00 177.39 175.02 2hfv n ARG 94 N -4.55 -2.70 -2.30 3.23 0.63 -0.48 -4.78 116.66 105.71 2hfv n ARG 94 Ca -0.08 2.27 -0.34 0.00 -0.92 0.00 0.00 57.85 58.79 2hfv n ARG 94 Cb 0.58 -4.49 -0.04 0.00 0.45 0.00 0.00 32.46 28.96 2hfv n ARG 94 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2hfv s SER 95 N -1.37 5.81 -1.05 6.15 0.01 -1.24 -4.91 113.70 117.10 2hfv s SER 95 Ca 0.02 -1.14 -0.21 0.00 1.31 0.00 0.00 55.95 55.93 2hfv s SER 95 Cb -0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.74 2hfv s SER 95 CO 0.62 -2.14 1.41 -0.62 0.41 0.00 0.00 173.24 172.92 2hfv s ASP 96 N 6.44 6.60 0.00 2.44 2.15 -1.26 -4.96 116.67 128.08 2hfv s ASP 96 Ca 0.59 -1.80 0.03 0.00 0.43 0.00 0.00 52.55 51.80 2hfv s ASP 96 Cb -0.03 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2hfv s ASP 96 CO -0.04 -1.32 0.60 -0.67 -0.17 0.00 0.00 175.17 173.57