#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvh s LEU 3 N 0.00 2.55 0.59 0.55 1.43 -1.26 -5.12 118.68 117.42 2fvh s LEU 3 Ca 0.00 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 2fvh s LEU 3 Cb 0.00 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2fvh s LEU 3 CO 0.00 0.15 1.15 0.42 0.23 0.00 0.00 176.35 178.30 2fvh s THR 4 N 0.41 3.01 0.60 5.49 -4.23 -1.26 -4.81 115.64 114.84 2fvh s THR 4 Ca -0.12 0.58 0.29 0.00 -1.18 0.00 0.00 61.69 61.26 2fvh s THR 4 Cb -0.16 -3.18 0.36 0.00 1.34 0.00 0.00 72.50 70.86 2fvh s THR 4 CO 0.06 -0.18 2.02 1.55 -0.54 0.00 0.00 174.62 177.53 2fvh h PRO 5 N 0.77 0.00 0.21 3.99 0.13 -2.00 0.11 132.00 135.21 2fvh h PRO 5 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 2fvh h PRO 5 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 2fvh h PRO 5 CO 0.55 0.00 -1.62 1.25 -0.23 0.00 0.00 178.00 177.96 2fvh h HIS 6 N 0.00 0.80 -1.00 1.56 -0.00 -1.99 -2.40 115.15 112.13 2fvh h HIS 6 Ca 0.12 -0.59 0.05 0.00 -0.00 0.00 0.00 60.37 59.95 2fvh h HIS 6 Cb 0.72 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.04 2fvh h HIS 6 CO 0.00 1.60 0.65 0.93 -0.00 0.00 0.00 177.93 181.11 2fvh h GLU 7 N 0.12 1.20 -0.50 5.26 5.08 -1.23 -0.08 114.58 124.43 2fvh h GLU 7 Ca -0.30 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2fvh h GLU 7 Cb 2.12 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 2fvh h GLU 7 CO 0.22 0.79 -0.06 1.96 -1.00 0.00 0.00 179.01 180.92 2fvh h GLN 8 N 1.23 0.89 -0.09 2.33 4.20 -1.12 -0.84 115.11 121.72 2fvh h GLN 8 Ca 0.41 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2fvh h GLN 8 Cb 0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2fvh h GLN 8 CO -0.14 0.93 -0.07 1.49 -0.67 0.00 0.00 178.83 180.36 2fvh h GLU 9 N 0.81 -0.08 -0.57 1.46 4.81 -0.80 0.35 114.58 120.56 2fvh h GLU 9 Ca 0.14 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2fvh h GLU 9 Cb 0.57 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2fvh h GLU 9 CO 0.03 -0.06 0.35 -0.09 -0.73 0.00 0.00 179.01 178.52 2fvh h ARG 10 N -0.09 0.77 -0.46 1.92 2.43 -0.74 -1.30 114.38 116.92 2fvh h ARG 10 Ca 0.06 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2fvh h ARG 10 Cb 0.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2fvh h ARG 10 CO -0.14 0.55 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.66 2fvh h LEU 11 N 0.77 0.85 -1.09 3.80 3.38 -1.08 -0.61 115.31 121.34 2fvh h LEU 11 Ca 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2fvh h LEU 11 Cb -0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2fvh h LEU 11 CO -0.04 0.99 0.41 -0.07 0.09 0.00 0.00 178.44 179.82 2fvh h LEU 12 N 0.76 0.93 -0.61 1.67 3.38 -0.44 0.18 115.31 121.18 2fvh h LEU 12 Ca 0.12 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2fvh h LEU 12 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2fvh h LEU 12 CO 0.04 0.76 -0.67 -0.07 0.09 0.00 0.00 178.44 178.59 2fvh h LEU 13 N 1.05 0.00 -0.30 1.67 3.38 -0.96 -0.61 115.31 119.55 2fvh h LEU 13 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2fvh h LEU 13 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2fvh h LEU 13 CO -0.04 0.67 0.03 -1.28 0.09 0.00 0.00 178.44 177.90 2fvh h SER 14 N 0.00 0.49 -0.73 -0.43 0.87 -0.64 -2.55 113.55 110.56 2fvh h SER 14 Ca -0.01 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 2fvh h SER 14 Cb 1.22 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 2fvh h SER 14 CO 0.09 0.65 0.38 0.22 -0.53 0.00 0.00 176.83 177.63 2fvh h TYR 15 N 0.32 1.04 -0.77 2.24 3.20 -0.80 -1.50 116.97 120.70 2fvh h TYR 15 Ca 0.09 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2fvh h TYR 15 Cb 0.38 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2fvh h TYR 15 CO 0.03 0.74 0.51 0.00 -1.64 0.00 0.00 178.16 177.80 2fvh h ALA 16 N 1.36 1.55 -0.48 1.82 0.00 -0.87 0.18 119.26 122.82 2fvh h ALA 16 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2fvh h ALA 16 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2fvh h ALA 16 CO -0.04 0.37 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 2fvh h ALA 17 N 1.55 0.73 -0.22 0.00 0.00 -1.04 0.18 119.26 120.46 2fvh h ALA 17 Ca 0.31 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2fvh h ALA 17 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2fvh h ALA 17 CO -0.09 0.67 0.14 1.49 0.00 0.00 0.00 179.25 181.46 2fvh h GLU 18 N 0.84 0.30 -0.28 0.00 4.81 -0.07 0.11 114.58 120.29 2fvh h GLU 18 Ca 0.11 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2fvh h GLU 18 Cb 0.77 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2fvh h GLU 18 CO 0.06 0.24 0.15 1.25 -0.73 0.00 0.00 179.01 179.99 2fvh h LEU 19 N 0.28 0.24 -0.36 1.64 5.85 -0.89 0.58 115.31 122.64 2fvh h LEU 19 Ca 0.08 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2fvh h LEU 19 Cb 0.02 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2fvh h LEU 19 CO -0.02 0.18 -0.10 0.00 -0.34 0.00 0.00 178.44 178.16 2fvh h ALA 20 N 1.13 0.22 -0.48 1.25 0.00 -0.69 0.10 119.26 120.80 2fvh h ALA 20 Ca 0.11 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2fvh h ALA 20 Cb 0.02 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2fvh h ALA 20 CO -0.07 -0.47 0.11 0.00 0.00 0.00 0.00 179.25 178.82 2fvh h ARG 21 N -0.01 0.74 -0.90 0.00 3.08 -0.48 0.10 114.38 116.90 2fvh h ARG 21 Ca 0.17 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2fvh h ARG 21 Cb 0.28 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2fvh h ARG 21 CO -0.38 0.68 0.60 -0.09 -1.07 0.00 0.00 179.97 179.71 2fvh h ARG 22 N 0.71 1.17 -0.24 0.04 2.43 -0.41 0.35 114.38 118.43 2fvh h ARG 22 Ca 0.16 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2fvh h ARG 22 Cb 0.28 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2fvh h ARG 22 CO -0.00 0.77 -0.45 0.00 -1.51 0.00 0.00 179.97 178.78 2fvh h ARG 23 N 1.20 0.73 -0.81 0.20 3.08 0.10 -2.72 114.38 116.17 2fvh h ARG 23 Ca 0.34 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2fvh h ARG 23 Cb -0.11 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2fvh h ARG 23 CO -0.08 1.09 0.54 -0.09 -1.07 0.00 0.00 179.97 180.35 2fvh h ARG 24 N 0.46 1.06 0.00 0.04 9.65 -0.67 -0.81 114.38 124.10 2fvh h ARG 24 Ca 0.01 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2fvh h ARG 24 Cb 1.05 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2fvh h ARG 24 CO 0.10 0.70 -0.00 0.00 2.80 0.00 0.00 179.97 183.57 2fvh h ALA 25 N 1.50 1.01 -0.18 2.80 0.00 -0.82 -1.84 119.26 121.73 2fvh h ALA 25 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2fvh h ALA 25 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2fvh h ALA 25 CO -0.07 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.06 2fvh n ARG 26 N -3.10 2.04 -0.32 0.00 0.63 -0.39 -4.91 116.66 110.62 2fvh n ARG 26 Ca -0.01 -1.55 0.00 0.00 -0.92 0.00 0.00 57.85 55.37 2fvh n ARG 26 Cb 0.19 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.64 2fvh n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fvh n GLY 27 N 1.28 0.71 3.74 5.14 0.00 -0.69 -5.06 105.19 110.32 2fvh n GLY 27 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2fvh n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fvh s LEU 28 N 0.00 4.48 0.05 0.99 1.43 -0.73 -5.00 118.68 119.92 2fvh s LEU 28 Ca 0.00 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 2fvh s LEU 28 Cb 0.00 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2fvh s LEU 28 CO 0.00 0.01 1.11 -0.13 0.23 0.00 0.00 176.35 177.57 2fvh s ARG 29 N -0.18 4.50 0.32 1.70 0.52 -1.26 -3.98 118.95 120.57 2fvh s ARG 29 Ca 0.41 1.64 -0.28 0.00 -0.52 0.00 0.00 55.73 56.98 2fvh s ARG 29 Cb -0.22 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 31.78 2fvh s ARG 29 CO 0.26 -0.14 1.15 -0.51 0.02 0.00 0.00 175.30 176.08 2fvh s LEU 30 N 0.86 4.42 0.00 2.53 1.43 -0.09 -4.37 118.68 123.46 2fvh s LEU 30 Ca 0.55 2.34 -0.10 0.00 -1.03 0.00 0.00 54.13 55.89 2fvh s LEU 30 Cb -0.26 -3.76 0.13 0.00 0.03 0.00 0.00 46.19 42.33 2fvh s LEU 30 CO 0.29 -0.36 0.75 -0.46 0.23 0.00 0.00 176.35 176.81 2fvh n ASN 31 N 0.77 -0.13 0.33 2.29 0.23 -1.26 -0.15 115.26 117.34 2fvh n ASN 31 Ca 0.01 -1.23 -0.15 0.00 -0.53 0.00 0.00 54.58 52.68 2fvh n ASN 31 Cb 0.45 -0.59 -0.07 0.00 -2.08 0.00 0.00 39.78 37.49 2fvh n ASN 31 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 2fvh h HIS 32 N -1.53 -0.97 -1.01 -2.53 -0.00 -1.96 -0.20 115.15 106.95 2fvh h HIS 32 Ca -0.25 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.19 2fvh h HIS 32 Cb 0.69 0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 28.37 2fvh h HIS 32 CO 0.00 -0.55 0.65 -1.00 -0.00 0.00 0.00 177.93 177.02 2fvh h PRO 33 N -0.91 1.10 -0.40 5.26 0.13 -1.99 -1.17 132.00 134.01 2fvh h PRO 33 Ca -0.08 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 2fvh h PRO 33 Cb 0.73 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2fvh h PRO 33 CO 0.09 0.72 0.23 0.93 -0.23 0.00 0.00 178.00 179.75 2fvh h GLU 34 N 1.13 0.46 -0.67 0.86 5.08 -1.91 -1.11 114.58 118.40 2fvh h GLU 34 Ca 0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2fvh h GLU 34 Cb 0.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2fvh h GLU 34 CO -0.20 0.30 0.38 0.00 -1.00 0.00 0.00 179.01 178.49 2fvh h ALA 35 N 1.18 0.86 -0.35 3.43 0.00 -0.47 -1.41 119.26 122.50 2fvh h ALA 35 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fvh h ALA 35 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2fvh h ALA 35 CO -0.07 0.37 0.21 0.82 0.00 0.00 0.00 179.25 180.57 2fvh h ILE 36 N 0.92 1.12 -0.90 0.00 2.04 -1.03 -1.84 117.51 117.82 2fvh h ILE 36 Ca 0.24 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2fvh h ILE 36 Cb 0.02 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2fvh h ILE 36 CO -0.04 0.12 0.58 0.00 0.00 0.00 0.00 178.15 178.81 2fvh h ALA 37 N 1.09 1.18 -0.36 1.87 0.00 -0.77 0.20 119.26 122.46 2fvh h ALA 37 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2fvh h ALA 37 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2fvh h ALA 37 CO -0.02 0.45 -0.04 0.28 0.00 0.00 0.00 179.25 179.92 2fvh h VAL 38 N 1.14 1.27 -0.29 0.00 2.07 -0.95 -0.01 116.25 119.47 2fvh h VAL 38 Ca 0.35 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 2fvh h VAL 38 Cb -0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2fvh h VAL 38 CO -0.11 0.35 -0.22 0.40 0.02 0.00 0.00 177.57 178.00 2fvh h ILE 39 N 0.48 1.30 -0.60 4.57 1.08 -1.13 -1.61 117.51 121.60 2fvh h ILE 39 Ca 0.10 -1.37 0.06 0.00 -0.39 0.00 0.00 64.86 63.26 2fvh h ILE 39 Cb 0.52 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.75 2fvh h ILE 39 CO 0.03 0.44 0.30 0.00 -0.69 0.00 0.00 178.15 178.23 2fvh h ALA 40 N 0.73 0.78 -0.49 1.87 0.00 -0.50 -2.09 119.26 119.57 2fvh h ALA 40 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2fvh h ALA 40 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2fvh h ALA 40 CO 0.06 -0.05 0.01 0.22 0.00 0.00 0.00 179.25 179.49 2fvh h ASP 41 N 0.57 0.77 -0.81 0.00 3.58 -0.87 -1.17 116.42 118.49 2fvh h ASP 41 Ca 0.27 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.59 2fvh h ASP 41 Cb 0.20 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2fvh h ASP 41 CO -0.19 0.83 0.50 -0.74 -2.88 0.00 0.00 179.24 176.76 2fvh h HIS 42 N 0.75 0.93 -0.20 0.28 2.76 -0.64 0.11 115.15 119.14 2fvh h HIS 42 Ca 0.15 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2fvh h HIS 42 Cb 0.45 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2fvh h HIS 42 CO 0.02 0.49 0.03 0.82 -1.30 0.00 0.00 177.93 177.99 2fvh h ILE 43 N 0.93 1.23 -0.54 6.26 2.04 -0.82 0.33 117.51 126.94 2fvh h ILE 43 Ca 0.34 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2fvh h ILE 43 Cb 0.12 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2fvh h ILE 43 CO -0.15 0.23 0.02 -0.07 0.00 0.00 0.00 178.15 178.18 2fvh h LEU 44 N 0.12 0.93 -0.49 1.44 3.38 -0.65 -0.65 115.31 119.39 2fvh h LEU 44 Ca 0.06 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 2fvh h LEU 44 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2fvh h LEU 44 CO 0.00 1.00 -0.61 -0.33 0.09 0.00 0.00 178.44 178.59 2fvh h GLU 45 N 0.83 0.49 -0.32 1.13 4.39 -0.79 -1.59 114.58 118.73 2fvh h GLU 45 Ca 0.16 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 2fvh h GLU 45 Cb 0.51 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2fvh h GLU 45 CO 0.02 0.95 -0.29 0.78 -1.16 0.00 0.00 179.01 179.32 2fvh h GLY 46 N 1.14 0.71 0.96 -3.84 0.00 -0.69 -1.12 103.07 100.22 2fvh h GLY 46 Ca -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 2fvh h GLY 46 CO 0.11 0.58 0.13 0.00 0.00 0.00 0.00 176.54 177.35 2fvh h ALA 47 N 1.12 0.59 -0.62 3.60 0.00 -0.97 -0.79 119.26 122.20 2fvh h ALA 47 Ca 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2fvh h ALA 47 Cb 0.78 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2fvh h ALA 47 CO 0.06 0.26 0.41 -0.09 0.00 0.00 0.00 179.25 179.89 2fvh h ARG 48 N 0.59 0.73 0.00 0.00 9.65 -1.07 -1.17 114.38 123.11 2fvh h ARG 48 Ca 0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2fvh h ARG 48 Cb 0.29 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2fvh h ARG 48 CO -0.00 0.48 0.00 -0.44 2.80 0.00 0.00 179.97 182.81 2fvh h ASP 49 N 0.75 0.00 0.00 -3.80 3.32 -0.61 -3.46 116.42 112.62 2fvh h ASP 49 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2fvh h ASP 49 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2fvh h ASP 49 CO -0.06 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.07 2fvh n GLY 50 N 0.02 1.23 3.80 2.75 0.00 -0.44 -5.08 105.19 107.46 2fvh n GLY 50 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2fvh n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fvh s ARG 51 N -0.28 3.35 0.56 1.61 1.81 -0.36 -5.02 118.95 120.62 2fvh s ARG 51 Ca 0.00 1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 55.18 2fvh s ARG 51 Cb 0.00 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.44 2fvh s ARG 51 CO 0.00 -0.79 0.90 0.95 -0.68 0.00 0.00 175.30 175.68 2fvh s THR 52 N -2.38 4.43 0.23 0.02 -4.23 -1.26 -4.65 115.64 107.79 2fvh s THR 52 Ca 0.64 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 61.42 2fvh s THR 52 Cb -0.16 -3.73 0.18 0.00 1.34 0.00 0.00 72.50 70.12 2fvh s THR 52 CO 0.35 -0.81 1.83 0.58 -0.54 0.00 0.00 174.62 176.03 2fvh h VAL 53 N -0.08 1.01 -0.70 2.29 2.07 -1.98 0.17 116.25 119.02 2fvh h VAL 53 Ca -0.46 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2fvh h VAL 53 Cb 1.22 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2fvh h VAL 53 CO 0.62 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.66 2fvh h ALA 54 N 1.37 0.91 -0.65 1.67 0.00 -2.00 0.09 119.26 120.65 2fvh h ALA 54 Ca 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2fvh h ALA 54 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2fvh h ALA 54 CO -0.17 0.50 0.18 0.93 0.00 0.00 0.00 179.25 180.69 2fvh h GLU 55 N 0.99 1.03 -0.06 0.00 5.08 -1.76 -3.04 114.58 116.82 2fvh h GLU 55 Ca 0.24 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2fvh h GLU 55 Cb 0.17 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2fvh h GLU 55 CO -0.02 0.91 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.22 2fvh h LEU 56 N 0.96 0.23 -1.96 1.33 3.38 -0.38 0.05 115.31 118.92 2fvh h LEU 56 Ca 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2fvh h LEU 56 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2fvh h LEU 56 CO -0.00 0.79 -0.06 0.24 0.09 0.00 0.00 178.44 179.50 2fvh h MET 57 N 0.15 0.00 0.00 1.13 2.86 -0.89 -1.50 114.93 116.68 2fvh h MET 57 Ca -0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2fvh h MET 57 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2fvh h MET 57 CO 0.09 0.06 -0.31 0.00 1.06 0.00 0.00 176.91 177.81 2fvh h ALA 58 N 1.94 0.05 -0.03 6.32 0.00 -1.36 -3.37 119.26 122.81 2fvh h ALA 58 Ca -0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2fvh h ALA 58 Cb 0.11 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2fvh h ALA 58 CO 0.01 0.20 -0.33 0.66 0.00 0.00 0.00 179.25 179.79 2fvh h SER 59 N -1.00 0.05 -0.00 0.00 4.64 -0.99 -1.31 113.55 114.94 2fvh h SER 59 Ca -0.07 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2fvh h SER 59 Cb 0.74 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2fvh h SER 59 CO -0.04 0.38 0.18 1.23 -0.87 0.00 0.00 176.83 177.71 2fvh h GLY 60 N 1.03 0.00 -1.51 -0.77 0.00 -1.43 -1.25 103.07 99.13 2fvh h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvh h GLY 60 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 2fvh n ARG 61 N -2.98 2.12 -0.07 4.80 1.74 -0.49 -4.08 116.66 117.69 2fvh n ARG 61 Ca -0.02 -1.66 0.05 0.00 -0.77 0.00 0.00 57.85 55.45 2fvh n ARG 61 Cb 0.24 -1.46 0.07 0.00 -1.02 0.00 0.00 32.46 30.29 2fvh n ARG 61 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2fvh n GLU 62 N 0.93 1.79 -0.07 5.56 1.02 -0.47 -4.32 120.64 125.07 2fvh n GLU 62 Ca 0.17 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 55.17 2fvh n GLU 62 Cb 0.49 -1.22 -0.11 0.00 -0.02 0.00 0.00 31.44 30.58 2fvh n GLU 62 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2fvh h VAL 63 N 0.53 1.46 -4.04 2.62 2.07 -1.70 -3.47 116.25 113.72 2fvh h VAL 63 Ca 0.00 -2.16 -0.53 0.00 0.82 0.00 0.00 66.70 64.83 2fvh h VAL 63 Cb 0.84 2.83 -0.30 0.00 -1.52 0.00 0.00 31.29 33.13 2fvh h VAL 63 CO 0.00 0.50 -0.83 -0.76 0.02 0.00 0.00 177.57 176.50 2fvh s LEU 64 N -8.21 1.94 0.00 2.57 1.43 -1.26 -5.11 118.68 110.04 2fvh s LEU 64 Ca -0.18 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 2fvh s LEU 64 Cb -0.02 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.39 2fvh s LEU 64 CO 0.59 0.16 0.50 0.61 0.23 0.00 0.00 176.35 178.44 2fvh n GLY 65 N 2.98 2.47 0.29 -3.19 0.00 -1.26 -4.29 105.19 102.19 2fvh n GLY 65 Ca -0.17 -2.26 0.04 0.00 0.00 0.00 0.00 46.02 43.63 2fvh n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fvh h ARG 66 N 0.00 0.40 0.00 1.61 3.08 -1.92 -1.12 114.38 116.43 2fvh h ARG 66 Ca -0.29 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2fvh h ARG 66 Cb 1.13 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2fvh h ARG 66 CO 0.44 0.32 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.14 2fvh h ASP 67 N 0.41 0.00 0.76 7.04 5.19 -1.97 -2.98 116.42 124.87 2fvh h ASP 67 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2fvh h ASP 67 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2fvh h ASP 67 CO -0.01 0.08 -0.42 0.47 -3.12 0.00 0.00 179.24 176.23 2fvh n ASP 68 N -3.37 0.49 -4.36 6.45 8.00 -0.42 -4.86 116.55 118.47 2fvh n ASP 68 Ca -0.01 0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 2fvh n ASP 68 Cb 0.24 0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 2fvh n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2fvh s VAL 69 N -3.06 1.73 0.70 2.53 -7.23 -1.12 -0.91 120.40 113.03 2fvh s VAL 69 Ca 0.10 -2.20 -0.16 0.00 -1.81 0.00 0.00 61.98 57.90 2fvh s VAL 69 Cb 0.16 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2fvh s VAL 69 CO 0.67 -0.53 1.26 -0.04 -0.31 0.00 0.00 175.10 176.15 2fvh s MET 70 N -3.66 2.28 0.18 4.82 -1.94 0.78 -4.69 119.30 117.07 2fvh s MET 70 Ca 0.24 1.95 -0.33 0.00 -1.71 0.00 0.00 55.69 55.84 2fvh s MET 70 Cb 0.00 -1.83 -0.14 0.00 2.01 0.00 0.00 34.83 34.87 2fvh s MET 70 CO 0.08 -1.77 1.42 -1.91 -0.01 0.00 0.00 175.02 172.83 2fvh n GLU 71 N -2.34 1.84 0.00 2.03 2.13 -1.26 -2.12 120.64 120.92 2fvh n GLU 71 Ca 0.15 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2fvh n GLU 71 Cb 0.49 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.87 2fvh n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fvh n GLY 72 N 2.60 3.03 0.17 8.31 0.00 -1.26 -4.92 105.19 113.13 2fvh n GLY 72 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2fvh n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2fvh h VAL 73 N 0.00 0.79 -0.12 1.61 2.07 -1.78 -2.55 116.25 116.26 2fvh h VAL 73 Ca 0.00 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2fvh h VAL 73 Cb 0.00 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2fvh h VAL 73 CO 0.00 0.04 0.11 -0.65 0.02 0.00 0.00 177.57 177.08 2fvh h PRO 74 N 0.21 0.00 0.00 1.57 0.11 -1.91 0.12 132.00 132.10 2fvh h PRO 74 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2fvh h PRO 74 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2fvh h PRO 74 CO -0.26 0.00 -0.52 0.93 -0.21 0.00 0.00 178.00 177.94 2fvh h GLU 75 N 0.00 0.00 0.00 1.05 3.07 -1.87 -3.30 114.58 113.54 2fvh h GLU 75 Ca 0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 2fvh h GLU 75 Cb 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2fvh h GLU 75 CO -0.00 0.00 -0.53 0.52 -1.40 0.00 0.00 179.01 177.60 2fvh h MET 76 N 0.00 0.00 -4.16 2.33 2.86 -0.40 -3.40 114.93 112.16 2fvh h MET 76 Ca 0.00 0.00 -0.77 0.00 -2.06 0.00 0.00 59.70 56.87 2fvh h MET 76 Cb 0.99 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.43 2fvh h MET 76 CO 0.00 0.53 0.94 1.28 1.06 0.00 0.00 176.91 180.72 2fvh n LEU 77 N -3.35 5.39 -0.06 1.22 4.77 -0.57 -4.82 117.00 119.58 2fvh n LEU 77 Ca 0.01 -4.74 -0.13 0.00 -0.03 0.00 0.00 56.01 51.12 2fvh n LEU 77 Cb 0.69 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2fvh n LEU 77 CO 0.40 1.03 0.47 0.00 -1.33 0.00 0.00 177.39 177.97 2fvh h ALA 78 N 6.87 0.57 -2.82 -1.18 0.00 -1.84 -3.38 119.26 117.50 2fvh h ALA 78 Ca 0.25 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2fvh h ALA 78 Cb 0.87 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2fvh h ALA 78 CO 1.14 0.68 0.08 -1.83 0.00 0.00 0.00 179.25 179.32 2fvh s GLU 79 N -4.14 1.16 -0.08 0.00 -1.05 -1.26 -0.08 118.70 113.26 2fvh s GLU 79 Ca -0.10 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 2fvh s GLU 79 Cb 0.11 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.34 2fvh s GLU 79 CO 0.87 -0.47 -0.09 0.08 0.95 0.00 0.00 175.26 176.59 2fvh s VAL 80 N -3.53 1.01 -0.06 1.83 1.01 -0.10 -4.98 120.40 115.58 2fvh s VAL 80 Ca 0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2fvh s VAL 80 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2fvh s VAL 80 CO -0.11 0.34 -0.24 -1.10 0.00 0.00 0.00 175.10 174.00 2fvh s GLN 81 N 1.08 2.49 -0.04 2.72 -0.21 -1.26 -0.99 119.66 123.45 2fvh s GLN 81 Ca -0.07 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.45 2fvh s GLN 81 Cb -0.14 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.80 2fvh s GLN 81 CO -0.01 0.35 -0.02 0.08 -2.12 0.00 0.00 175.29 173.57 2fvh s VAL 82 N -0.10 0.32 -0.23 1.09 1.01 -0.42 -4.96 120.40 117.12 2fvh s VAL 82 Ca -0.05 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2fvh s VAL 82 Cb -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2fvh s VAL 82 CO 0.04 0.18 1.14 -1.61 0.00 0.00 0.00 175.10 174.85 2fvh s GLU 83 N 1.04 4.20 0.07 2.72 0.41 -1.26 0.07 118.70 125.94 2fvh s GLU 83 Ca -0.09 1.41 0.07 0.00 -0.41 0.00 0.00 54.97 55.95 2fvh s GLU 83 Cb -0.14 -3.71 -0.03 0.00 -1.78 0.00 0.00 34.13 28.47 2fvh s GLU 83 CO -0.01 -0.73 -0.19 0.00 -0.49 0.00 0.00 175.26 173.84 2fvh s ALA 84 N 3.46 1.63 -0.20 5.21 0.00 -0.19 -4.94 121.76 126.73 2fvh s ALA 84 Ca 0.49 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 2fvh s ALA 84 Cb -0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2fvh s ALA 84 CO 0.11 0.33 0.58 0.99 0.00 0.00 0.00 175.76 177.78 2fvh s THR 85 N -0.98 5.05 0.26 0.00 2.01 -1.26 -1.18 115.64 119.54 2fvh s THR 85 Ca 0.05 1.09 0.11 0.00 0.31 0.00 0.00 61.69 63.25 2fvh s THR 85 Cb -0.09 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2fvh s THR 85 CO 0.03 0.14 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.62 2fvh s PHE 86 N 1.81 2.48 0.40 4.92 0.08 0.12 -4.62 117.98 123.16 2fvh s PHE 86 Ca 0.27 -0.28 0.11 0.00 0.12 0.00 0.00 56.93 57.15 2fvh s PHE 86 Cb -0.16 -1.11 0.92 0.00 -0.57 0.00 0.00 43.02 42.11 2fvh s PHE 86 CO 0.10 0.65 1.94 -1.35 -0.10 0.00 0.00 175.22 176.46 2fvh h PRO 87 N 2.23 0.53 0.00 0.24 0.11 -1.97 0.18 132.00 133.33 2fvh h PRO 87 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2fvh h PRO 87 Cb 1.25 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2fvh h PRO 87 CO 0.59 0.35 -0.06 0.38 -0.21 0.00 0.00 178.00 179.05 2fvh h ASP 88 N 0.55 0.00 -4.11 -2.05 2.03 -2.01 -3.49 116.42 107.34 2fvh h ASP 88 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 2fvh h ASP 88 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 2fvh h ASP 88 CO -0.11 0.06 0.00 0.61 -1.03 0.00 0.00 179.24 178.76 2fvh n GLY 89 N -0.76 1.01 3.70 7.15 0.00 0.64 -5.06 105.19 111.87 2fvh n GLY 89 Ca -0.02 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2fvh n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fvh s THR 90 N -1.01 4.06 0.02 2.61 2.01 -1.26 0.11 115.64 122.18 2fvh s THR 90 Ca 0.00 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.49 2fvh s THR 90 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2fvh s THR 90 CO 0.00 0.07 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.36 2fvh s LYS 91 N 1.49 0.70 -0.25 4.92 1.02 -0.32 -4.95 119.74 122.35 2fvh s LYS 91 Ca 0.58 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.77 2fvh s LYS 91 Cb -0.28 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 2fvh s LYS 91 CO 0.27 0.16 0.95 -1.17 -0.92 0.00 0.00 175.35 174.65 2fvh s LEU 92 N -0.79 4.08 -0.21 3.17 2.96 -1.26 -1.02 118.68 125.60 2fvh s LEU 92 Ca -0.00 1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 2fvh s LEU 92 Cb -0.06 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2fvh s LEU 92 CO 0.00 -0.63 0.11 -0.69 -1.32 0.00 0.00 176.35 173.83 2fvh s VAL 93 N 3.10 5.09 -0.19 1.68 1.01 0.11 -4.93 120.40 126.27 2fvh s VAL 93 Ca 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2fvh s VAL 93 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2fvh s VAL 93 CO 0.08 0.40 -0.05 -0.89 0.00 0.00 0.00 175.10 174.64 2fvh s THR 94 N 0.75 3.47 -0.33 3.92 2.01 -1.26 -1.30 115.64 122.91 2fvh s THR 94 Ca 0.06 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 2fvh s THR 94 Cb -0.13 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 2fvh s THR 94 CO 0.02 0.45 0.27 -0.69 -0.69 0.00 0.00 174.62 173.98 2fvh s VAL 95 N 1.05 5.25 0.08 3.82 1.01 -0.16 -4.70 120.40 126.75 2fvh s VAL 95 Ca 0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2fvh s VAL 95 Cb -0.15 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2fvh s VAL 95 CO -0.00 0.03 0.64 -1.00 0.00 0.00 0.00 175.10 174.77 2fvh s HIS 96 N 1.82 3.80 -1.02 5.22 3.76 -1.26 -0.93 115.29 126.69 2fvh s HIS 96 Ca 0.08 1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 56.06 2fvh s HIS 96 Cb -0.17 -2.62 0.04 0.00 1.11 0.00 0.00 32.58 30.95 2fvh s HIS 96 CO 0.11 0.49 0.55 1.04 -0.85 0.00 0.00 174.74 176.09 2fvh n GLN 97 N 2.00 -0.34 0.23 1.40 6.02 0.89 -4.80 117.38 122.78 2fvh n GLN 97 Ca -0.08 -0.05 0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2fvh n GLN 97 Cb 0.50 -1.88 0.73 0.00 1.02 0.00 0.00 30.24 30.62 2fvh n GLN 97 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2fvh h PRO 98 N -1.70 0.00 -4.02 -1.09 0.13 -1.78 -3.31 132.00 120.22 2fvh h PRO 98 Ca -0.60 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.76 2fvh h PRO 98 Cb 1.17 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 2fvh h PRO 98 CO 0.43 0.00 0.47 0.42 -0.23 0.00 0.00 178.00 179.10 2fvh s ILE 99 N -4.91 5.56 0.00 -3.56 -1.09 -1.26 -4.39 121.20 111.55 2fvh s ILE 99 Ca -0.05 -2.70 0.00 0.00 -2.23 0.00 0.00 60.65 55.67 2fvh s ILE 99 Cb 0.17 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 2fvh s ILE 99 CO 0.63 -1.22 0.00 0.00 -1.23 0.00 0.00 174.94 173.12