#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwh n GLU 2 N 0.00 -3.08 -2.15 0.03 4.71 -1.26 -4.88 120.64 114.01 1fwh n GLU 2 Ca 0.00 0.52 -0.42 0.00 -0.01 0.00 0.00 57.16 57.25 1fwh n GLU 2 Cb 0.00 -4.69 -0.03 0.00 -1.01 0.00 0.00 31.44 25.72 1fwh n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fwh s LEU 3 N -6.61 4.35 0.74 -4.62 1.43 -1.26 -5.02 118.68 107.69 1fwh s LEU 3 Ca 0.19 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.45 1fwh s LEU 3 Cb -0.06 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.65 1fwh s LEU 3 CO 0.84 -0.72 1.09 0.42 0.23 0.00 0.00 176.35 178.21 1fwh s THR 4 N 1.92 2.43 0.24 5.49 -4.23 -1.26 -4.90 115.64 115.33 1fwh s THR 4 Ca 0.66 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1fwh s THR 4 Cb -0.35 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.59 1fwh s THR 4 CO 0.29 -0.13 1.84 -0.65 -0.54 0.00 0.00 174.62 175.44 1fwh h PRO 5 N -0.77 0.89 -0.35 3.99 0.11 -2.00 -2.52 132.00 131.35 1fwh h PRO 5 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1fwh h PRO 5 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1fwh h PRO 5 CO 0.63 0.59 0.06 0.07 -0.21 0.00 0.00 178.00 179.14 1fwh h ARG 6 N 0.91 0.51 -0.45 1.05 0.11 -1.99 -0.13 114.38 114.40 1fwh h ARG 6 Ca 0.36 -0.09 -0.14 0.00 0.10 0.00 0.00 59.98 60.21 1fwh h ARG 6 Cb 0.18 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1fwh h ARG 6 CO -0.18 0.49 -0.28 0.93 0.10 0.00 0.00 179.97 181.04 1fwh h GLU 7 N 0.50 0.98 -0.17 0.08 5.08 -1.84 -2.10 114.58 117.11 1fwh h GLU 7 Ca 0.12 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1fwh h GLU 7 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1fwh h GLU 7 CO -0.00 1.12 -0.42 0.87 -1.00 0.00 0.00 179.01 179.58 1fwh h LYS 8 N 0.83 0.40 -0.55 2.33 1.57 -1.04 -2.82 116.57 117.29 1fwh h LYS 8 Ca 0.09 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1fwh h LYS 8 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1fwh h LYS 8 CO 0.08 0.75 0.02 0.22 -0.57 0.00 0.00 179.45 179.95 1fwh h ASP 9 N 0.33 0.93 0.46 0.86 -0.00 -0.85 -2.43 116.42 115.72 1fwh h ASP 9 Ca 0.03 -0.30 -0.03 0.00 -0.00 0.00 0.00 57.03 56.73 1fwh h ASP 9 Cb 0.88 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1fwh h ASP 9 CO 0.07 1.00 -0.13 0.11 -0.00 0.00 0.00 179.24 180.29 1fwh h LYS 10 N 0.84 0.00 0.00 0.28 1.79 -1.26 -1.30 116.57 116.92 1fwh h LYS 10 Ca 0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1fwh h LYS 10 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1fwh h LYS 10 CO 0.02 0.13 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.24 1fwh h LEU 11 N 0.00 0.00 -0.28 2.94 3.38 -1.18 -1.11 115.31 119.06 1fwh h LEU 11 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1fwh h LEU 11 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1fwh h LEU 11 CO 0.02 0.22 -0.30 0.25 0.09 0.00 0.00 178.44 178.71 1fwh h LEU 12 N 0.00 0.75 -0.37 1.67 6.46 -1.23 -2.29 115.31 120.31 1fwh h LEU 12 Ca -0.00 -0.48 -0.04 0.00 -0.12 0.00 0.00 57.88 57.24 1fwh h LEU 12 Cb 0.44 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1fwh h LEU 12 CO 0.03 1.08 0.06 0.25 -0.62 0.00 0.00 178.44 179.24 1fwh h LEU 13 N 0.44 0.58 -0.37 2.25 5.85 -1.32 -1.60 115.31 121.14 1fwh h LEU 13 Ca 0.04 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1fwh h LEU 13 Cb 0.88 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1fwh h LEU 13 CO 0.07 0.69 0.12 0.15 -0.34 0.00 0.00 178.44 179.14 1fwh h PHE 14 N 0.45 0.22 -0.60 1.25 3.57 -1.23 -1.20 116.94 119.39 1fwh h PHE 14 Ca 0.11 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1fwh h PHE 14 Cb 0.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1fwh h PHE 14 CO 0.02 0.09 0.04 1.15 -2.23 0.00 0.00 178.31 177.38 1fwh h THR 15 N 0.27 1.26 -0.70 4.41 2.02 -1.30 -1.86 112.91 117.01 1fwh h THR 15 Ca 0.17 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 1fwh h THR 15 Cb 0.15 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1fwh h THR 15 CO -0.18 0.39 0.37 0.00 0.37 0.00 0.00 175.52 176.48 1fwh h ALA 16 N 1.09 1.34 0.00 6.16 0.00 -0.89 -1.95 119.26 125.02 1fwh h ALA 16 Ca 0.18 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1fwh h ALA 16 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fwh h ALA 16 CO 0.02 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.45 1fwh h ALA 17 N 1.44 1.20 -0.42 0.00 0.00 -0.64 -2.66 119.26 118.18 1fwh h ALA 17 Ca 0.25 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1fwh h ALA 17 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1fwh h ALA 17 CO -0.04 0.45 -0.18 -0.07 0.00 0.00 0.00 179.25 179.41 1fwh h LEU 18 N 0.00 0.81 -0.01 0.00 3.38 -0.57 -0.57 115.31 118.35 1fwh h LEU 18 Ca -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1fwh h LEU 18 Cb 0.73 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1fwh h LEU 18 CO 0.05 0.98 0.01 0.58 0.09 0.00 0.00 178.44 180.14 1fwh h VAL 19 N 0.71 1.10 -0.39 1.22 2.07 -1.24 -2.49 116.25 117.23 1fwh h VAL 19 Ca 0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1fwh h VAL 19 Cb 0.69 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1fwh h VAL 19 CO 0.05 0.08 0.23 0.00 0.02 0.00 0.00 177.57 177.95 1fwh h ALA 20 N 0.88 0.50 -0.58 1.67 0.00 -1.35 -2.53 119.26 117.85 1fwh h ALA 20 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1fwh h ALA 20 Cb 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1fwh h ALA 20 CO -0.00 0.00 0.22 1.49 0.00 0.00 0.00 179.25 180.96 1fwh h GLU 21 N 0.51 0.39 -0.29 0.00 4.81 -1.06 -0.41 114.58 118.52 1fwh h GLU 21 Ca 0.14 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1fwh h GLU 21 Cb 0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1fwh h GLU 21 CO -0.02 0.26 -0.29 0.00 -0.73 0.00 0.00 179.01 178.22 1fwh h ARG 22 N 0.40 0.60 -0.32 1.92 3.08 -1.24 -2.27 114.38 116.55 1fwh h ARG 22 Ca 0.29 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 1fwh h ARG 22 Cb 0.34 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1fwh h ARG 22 CO -0.29 0.83 -0.46 0.00 -1.07 0.00 0.00 179.97 178.97 1fwh h ARG 23 N 0.51 0.86 -0.74 0.04 3.08 -0.98 -2.49 114.38 114.67 1fwh h ARG 23 Ca 0.06 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1fwh h ARG 23 Cb 0.77 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1fwh h ARG 23 CO 0.06 1.13 0.33 1.25 -1.07 0.00 0.00 179.97 181.68 1fwh h LEU 24 N 0.68 0.99 -1.72 3.04 5.85 -1.03 -1.73 115.31 121.39 1fwh h LEU 24 Ca 0.04 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1fwh h LEU 24 Cb 1.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1fwh h LEU 24 CO 0.11 0.86 0.20 0.00 -0.34 0.00 0.00 178.44 179.27 1fwh h ALA 25 N 1.16 1.82 0.00 1.25 0.00 -1.24 0.47 119.26 122.73 1fwh h ALA 25 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1fwh h ALA 25 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fwh h ALA 25 CO -0.03 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1fwh h ARG 26 N 0.39 0.00 0.00 0.00 3.08 -0.87 -3.47 114.38 113.51 1fwh h ARG 26 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1fwh h ARG 26 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1fwh h ARG 26 CO -0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1fwh n GLY 27 N 0.42 1.02 3.87 0.04 0.00 0.16 -5.09 105.19 105.60 1fwh n GLY 27 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1fwh n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwh s LEU 28 N 0.00 3.84 -0.25 0.99 1.43 -0.98 -5.03 118.68 118.68 1fwh s LEU 28 Ca 0.00 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 54.01 1fwh s LEU 28 Cb 0.00 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1fwh s LEU 28 CO 0.00 -0.39 0.71 -0.54 0.23 0.00 0.00 176.35 176.36 1fwh s LYS 29 N -3.82 4.13 0.61 1.70 1.02 -1.26 -4.55 119.74 117.57 1fwh s LYS 29 Ca 0.51 0.70 -0.18 0.00 0.02 0.00 0.00 55.97 57.03 1fwh s LYS 29 Cb -0.10 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 1fwh s LYS 29 CO 0.31 -0.47 1.17 -0.51 -0.92 0.00 0.00 175.35 174.93 1fwh s LEU 30 N 2.66 3.60 0.00 3.17 1.43 0.15 -4.29 118.68 125.39 1fwh s LEU 30 Ca 0.30 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1fwh s LEU 30 Cb -0.15 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.50 1fwh s LEU 30 CO 0.08 -1.58 0.10 -0.46 0.23 0.00 0.00 176.35 174.72 1fwh n ASN 31 N -1.79 0.20 0.42 2.29 0.23 -1.26 -0.53 115.26 114.82 1fwh n ASN 31 Ca 0.12 -1.15 -0.18 0.00 -0.53 0.00 0.00 54.58 52.85 1fwh n ASN 31 Cb 0.50 -0.06 -0.09 0.00 -2.08 0.00 0.00 39.78 38.06 1fwh n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1fwh h TYR 32 N -0.15 -1.15 -0.56 -2.53 3.20 -1.96 -1.81 116.97 112.01 1fwh h TYR 32 Ca -0.03 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1fwh h TYR 32 Cb 0.13 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1fwh h TYR 32 CO 0.00 -0.67 0.27 -1.00 -1.64 0.00 0.00 178.16 175.12 1fwh h PRO 33 N -1.13 0.78 -0.60 1.82 0.13 -2.00 -2.25 132.00 128.76 1fwh h PRO 33 Ca -0.11 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1fwh h PRO 33 Cb 0.89 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 1fwh h PRO 33 CO 0.14 0.60 0.27 0.93 -0.23 0.00 0.00 178.00 179.71 1fwh h GLU 34 N 0.78 0.87 -0.28 0.86 5.08 -1.92 -1.66 114.58 118.31 1fwh h GLU 34 Ca 0.20 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1fwh h GLU 34 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1fwh h GLU 34 CO -0.03 0.72 0.09 0.77 -1.00 0.00 0.00 179.01 179.56 1fwh h SER 35 N 0.82 0.40 -0.55 1.42 0.02 -0.96 -1.53 113.55 113.17 1fwh h SER 35 Ca 0.20 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1fwh h SER 35 Cb 0.15 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1fwh h SER 35 CO -0.02 0.50 0.25 0.58 -1.14 0.00 0.00 176.83 176.99 1fwh h VAL 36 N 0.29 1.21 -0.38 2.27 2.07 -1.30 -2.43 116.25 117.98 1fwh h VAL 36 Ca 0.09 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1fwh h VAL 36 Cb 0.23 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1fwh h VAL 36 CO -0.00 0.25 0.13 0.00 0.02 0.00 0.00 177.57 177.96 1fwh h ALA 37 N 1.09 0.49 0.04 1.67 0.00 -1.23 -1.52 119.26 119.80 1fwh h ALA 37 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fwh h ALA 37 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fwh h ALA 37 CO -0.02 0.12 -0.02 1.25 0.00 0.00 0.00 179.25 180.58 1fwh h LEU 38 N 0.46 -0.05 -0.61 0.00 5.85 -1.16 -1.09 115.31 118.71 1fwh h LEU 38 Ca 0.12 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1fwh h LEU 38 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1fwh h LEU 38 CO -0.01 0.01 0.04 0.40 -0.34 0.00 0.00 178.44 178.54 1fwh h ILE 39 N -0.10 1.26 -0.36 4.05 2.04 -1.46 -2.51 117.51 120.43 1fwh h ILE 39 Ca -0.01 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1fwh h ILE 39 Cb 0.08 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1fwh h ILE 39 CO 0.01 0.40 0.23 0.28 0.00 0.00 0.00 178.15 179.07 1fwh h SER 40 N 0.96 0.43 0.04 1.72 0.02 -1.12 -2.29 113.55 113.30 1fwh h SER 40 Ca 0.18 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1fwh h SER 40 Cb 0.51 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1fwh h SER 40 CO 0.02 0.34 -0.17 0.00 -1.14 0.00 0.00 176.83 175.88 1fwh h ALA 41 N 1.11 1.41 -0.30 3.77 0.00 -1.13 -2.48 119.26 121.63 1fwh h ALA 41 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1fwh h ALA 41 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1fwh h ALA 41 CO -0.03 0.41 0.19 0.35 0.00 0.00 0.00 179.25 180.18 1fwh h PHE 42 N 0.25 0.39 -0.45 0.00 3.57 -0.96 -2.51 116.94 117.23 1fwh h PHE 42 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1fwh h PHE 42 Cb 0.46 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1fwh h PHE 42 CO 0.01 0.27 0.22 0.82 -2.23 0.00 0.00 178.31 177.40 1fwh h ILE 43 N 0.40 1.18 -0.78 1.41 2.04 -1.06 -1.82 117.51 118.88 1fwh h ILE 43 Ca 0.11 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1fwh h ILE 43 Cb -0.02 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1fwh h ILE 43 CO -0.02 0.19 0.51 0.24 0.00 0.00 0.00 178.15 179.07 1fwh h MET 44 N 0.58 0.91 -0.05 2.37 2.86 -1.28 -0.82 114.93 119.49 1fwh h MET 44 Ca 0.15 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 1fwh h MET 44 Cb 0.10 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1fwh h MET 44 CO -0.02 0.60 -0.66 0.93 1.06 0.00 0.00 176.91 178.82 1fwh h GLU 45 N 0.93 0.23 -0.62 1.72 4.39 -1.19 -2.31 114.58 117.74 1fwh h GLU 45 Ca 0.31 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1fwh h GLU 45 Cb 0.08 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1fwh h GLU 45 CO -0.09 0.81 0.27 0.78 -1.16 0.00 0.00 179.01 179.61 1fwh h GLY 46 N 1.56 0.98 1.27 -3.84 0.00 -0.35 -1.59 103.07 101.10 1fwh h GLY 46 Ca -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1fwh h GLY 46 CO 0.10 0.48 0.05 0.00 0.00 0.00 0.00 176.54 177.18 1fwh h ALA 47 N 1.11 1.06 -0.36 3.60 0.00 -1.06 -2.19 119.26 121.42 1fwh h ALA 47 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fwh h ALA 47 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fwh h ALA 47 CO -0.02 0.60 0.07 -0.09 0.00 0.00 0.00 179.25 179.80 1fwh h ARG 48 N 0.84 0.54 0.00 0.00 9.65 -0.92 -1.99 114.38 122.50 1fwh h ARG 48 Ca 0.17 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1fwh h ARG 48 Cb 0.42 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1fwh h ARG 48 CO 0.01 0.51 -0.25 -0.44 2.80 0.00 0.00 179.97 182.61 1fwh h ASP 49 N 0.53 0.00 0.00 -3.80 3.32 -0.73 -3.47 116.42 112.27 1fwh h ASP 49 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1fwh h ASP 49 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1fwh h ASP 49 CO -0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1fwh n GLY 50 N 0.00 1.10 3.81 2.75 0.00 -0.75 -5.09 105.19 107.02 1fwh n GLY 50 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1fwh n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwh s LYS 51 N -0.10 3.47 0.69 1.61 1.02 -0.88 -4.94 119.74 120.61 1fwh s LYS 51 Ca 0.00 1.18 -0.11 0.00 0.02 0.00 0.00 55.97 57.06 1fwh s LYS 51 Cb 0.00 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1fwh s LYS 51 CO 0.00 -0.68 1.07 -1.54 -0.92 0.00 0.00 175.35 173.28 1fwh s SER 52 N -2.74 5.52 0.15 2.83 1.04 -1.26 -4.66 113.70 114.59 1fwh s SER 52 Ca 0.63 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 58.21 1fwh s SER 52 Cb -0.15 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.84 1fwh s SER 52 CO 0.34 -1.31 1.74 0.58 0.98 0.00 0.00 173.24 175.57 1fwh h VAL 53 N -0.63 1.19 -0.67 5.02 2.07 -1.96 -2.56 116.25 118.71 1fwh h VAL 53 Ca -0.45 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1fwh h VAL 53 Cb 1.23 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1fwh h VAL 53 CO 0.62 0.21 0.35 0.00 0.02 0.00 0.00 177.57 178.76 1fwh h ALA 54 N 1.08 0.90 -0.14 1.67 0.00 -1.98 -1.21 119.26 119.57 1fwh h ALA 54 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1fwh h ALA 54 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fwh h ALA 54 CO -0.02 -0.00 0.06 0.77 0.00 0.00 0.00 179.25 180.05 1fwh h SER 55 N 0.63 0.19 -0.50 0.00 0.02 -1.90 -3.16 113.55 108.83 1fwh h SER 55 Ca 0.31 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1fwh h SER 55 Cb 0.25 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1fwh h SER 55 CO -0.21 0.29 0.17 -0.07 -1.14 0.00 0.00 176.83 175.87 1fwh h LEU 56 N 0.08 0.76 -2.23 5.07 3.38 -1.10 0.02 115.31 121.29 1fwh h LEU 56 Ca 0.05 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1fwh h LEU 56 Cb 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1fwh h LEU 56 CO -0.00 0.72 0.10 0.24 0.09 0.00 0.00 178.44 179.59 1fwh h MET 57 N 0.80 0.00 0.00 1.13 2.86 -1.20 0.10 114.93 118.63 1fwh h MET 57 Ca 0.18 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.58 1fwh h MET 57 Cb 0.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1fwh h MET 57 CO -0.01 0.00 -1.39 -1.91 1.06 0.00 0.00 176.91 174.66 1fwh n GLU 58 N -4.06 0.56 -0.08 1.72 4.07 -0.89 -4.40 120.64 117.57 1fwh n GLU 58 Ca -0.00 0.52 0.06 0.00 -0.06 0.00 0.00 57.16 57.67 1fwh n GLU 58 Cb 0.21 -1.70 0.41 0.00 -0.06 0.00 0.00 31.44 30.30 1fwh n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1fwh h GLU 59 N -1.00 0.60 -0.02 5.31 5.08 -0.75 -1.37 114.58 122.44 1fwh h GLU 59 Ca -0.37 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1fwh h GLU 59 Cb 1.27 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1fwh h GLU 59 CO -0.22 0.40 0.05 0.78 -1.00 0.00 0.00 179.01 179.01 1fwh h GLY 60 N 0.62 0.00 0.29 -3.84 0.00 -1.01 -1.20 103.07 97.93 1fwh h GLY 60 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1fwh h GLY 60 CO -0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.02 1fwh n ARG 61 N -3.49 1.16 -0.15 4.80 1.74 -0.51 -3.57 116.66 116.64 1fwh n ARG 61 Ca -0.02 -0.23 0.07 0.00 -0.77 0.00 0.00 57.85 56.89 1fwh n ARG 61 Cb 0.13 -1.32 0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1fwh n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fwh n HIS 62 N -0.56 0.00 -0.01 -1.55 8.25 -0.45 -4.71 115.22 116.19 1fwh n HIS 62 Ca 0.15 -0.71 -0.17 0.00 -0.26 0.00 0.00 57.72 56.73 1fwh n HIS 62 Cb 0.12 -0.11 -0.13 0.00 1.12 0.00 0.00 29.99 30.99 1fwh n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1fwh h VAL 63 N 1.50 1.61 -4.01 1.59 2.07 -1.68 -3.46 116.25 113.87 1fwh h VAL 63 Ca 0.00 -2.31 -0.45 0.00 0.82 0.00 0.00 66.70 64.77 1fwh h VAL 63 Cb 1.02 3.12 -0.24 0.00 -1.52 0.00 0.00 31.29 33.68 1fwh h VAL 63 CO 0.00 0.63 -0.79 -0.76 0.02 0.00 0.00 177.57 176.67 1fwh s LEU 64 N -8.17 2.21 0.35 2.57 1.43 -1.26 -5.10 118.68 110.70 1fwh s LEU 64 Ca -0.16 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1fwh s LEU 64 Cb -0.00 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1fwh s LEU 64 CO 0.76 0.01 0.13 0.42 0.23 0.00 0.00 176.35 177.90 1fwh s THR 65 N -0.99 2.91 0.54 5.49 -4.23 -1.26 -4.24 115.64 113.86 1fwh s THR 65 Ca 0.01 -1.73 0.26 0.00 -1.18 0.00 0.00 61.69 59.05 1fwh s THR 65 Cb -0.09 -2.95 0.39 0.00 1.34 0.00 0.00 72.50 71.19 1fwh s THR 65 CO 0.02 -0.17 2.00 -0.09 -0.54 0.00 0.00 174.62 175.83 1fwh h ARG 66 N 1.57 0.00 -0.00 3.99 2.43 -1.89 -0.35 114.38 120.12 1fwh h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwh h ARG 66 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1fwh h ARG 66 CO 0.64 0.00 -0.00 -0.85 -1.51 0.00 0.00 179.97 178.25 1fwh n GLU 67 N -4.28 0.80 -0.09 0.20 0.00 -1.26 -3.18 120.64 112.82 1fwh n GLU 67 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 57.16 57.30 1fwh n GLU 67 Cb 0.59 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.64 1fwh n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fwh n GLN 68 N -1.09 1.74 -4.23 3.44 6.02 -0.14 -4.95 117.38 118.16 1fwh n GLN 68 Ca 0.20 -1.66 -0.13 0.00 -0.01 0.00 0.00 57.00 55.40 1fwh n GLN 68 Cb 0.16 -1.27 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 1fwh n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1fwh s VAL 69 N -1.02 1.07 0.89 5.09 -7.23 -1.19 -0.68 120.40 117.33 1fwh s VAL 69 Ca 0.20 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.24 1fwh s VAL 69 Cb 0.12 -1.81 0.13 0.00 0.56 0.00 0.00 36.38 35.38 1fwh s VAL 69 CO 0.17 -0.77 1.12 -0.04 -0.31 0.00 0.00 175.10 175.27 1fwh s MET 70 N -3.75 1.21 0.36 4.82 -1.94 0.31 -4.76 119.30 115.54 1fwh s MET 70 Ca 0.16 1.36 -0.28 0.00 -1.71 0.00 0.00 55.69 55.21 1fwh s MET 70 Cb 0.03 -1.76 -0.11 0.00 2.01 0.00 0.00 34.83 35.00 1fwh s MET 70 CO -0.01 -2.44 1.47 -2.00 -0.01 0.00 0.00 175.02 172.03 1fwh s GLU 71 N -4.72 4.15 0.00 2.03 2.12 -1.26 -2.42 118.70 118.61 1fwh s GLU 71 Ca 0.65 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.49 1fwh s GLU 71 Cb -0.21 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1fwh s GLU 71 CO 0.58 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1fwh n GLY 72 N 0.77 3.18 0.18 -1.50 0.00 -1.26 -4.91 105.19 101.64 1fwh n GLY 72 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1fwh n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwh h VAL 73 N 0.00 1.14 -0.77 1.61 2.07 -1.84 -2.67 116.25 115.79 1fwh h VAL 73 Ca 0.00 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1fwh h VAL 73 Cb 0.00 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1fwh h VAL 73 CO 0.00 0.14 0.50 -0.65 0.02 0.00 0.00 177.57 177.58 1fwh h PRO 74 N 0.50 0.67 0.00 1.57 0.11 -1.89 -0.86 132.00 132.10 1fwh h PRO 74 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1fwh h PRO 74 Cb 0.03 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1fwh h PRO 74 CO -0.02 0.44 0.00 0.93 -0.21 0.00 0.00 178.00 179.14 1fwh h GLU 75 N 0.69 0.00 -0.00 1.05 3.07 -1.86 -2.91 114.58 114.61 1fwh h GLU 75 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1fwh h GLU 75 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1fwh h GLU 75 CO -0.13 0.00 -0.22 -1.33 -1.40 0.00 0.00 179.01 175.93 1fwh n MET 76 N -2.89 0.32 -3.70 2.33 2.81 -0.34 -4.48 117.12 111.17 1fwh n MET 76 Ca 0.03 -0.13 -0.27 0.00 -1.81 0.00 0.00 57.70 55.52 1fwh n MET 76 Cb 0.41 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.32 1fwh n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1fwh n ILE 77 N -1.23 0.98 0.30 2.02 5.41 -1.10 -4.93 119.36 120.82 1fwh n ILE 77 Ca 0.10 -4.55 0.19 0.00 1.00 0.00 0.00 62.75 59.49 1fwh n ILE 77 Cb 0.32 -2.05 0.92 0.00 -0.71 0.00 0.00 39.64 38.12 1fwh n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1fwh h PRO 78 N 5.23 0.00 -1.80 0.38 0.13 -1.78 -3.40 132.00 130.75 1fwh h PRO 78 Ca 0.18 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.53 1fwh h PRO 78 Cb 0.78 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.76 1fwh h PRO 78 CO 0.64 0.01 0.69 0.16 -0.23 0.00 0.00 178.00 179.27 1fwh s ASP 79 N -5.51 -0.19 -0.04 1.44 1.47 -1.26 -0.46 116.67 112.12 1fwh s ASP 79 Ca -0.02 -0.07 0.02 0.00 1.18 0.00 0.00 52.55 53.66 1fwh s ASP 79 Cb 0.11 0.26 0.01 0.00 -0.34 0.00 0.00 42.92 42.95 1fwh s ASP 79 CO 0.49 -0.43 -0.09 -0.63 0.68 0.00 0.00 175.17 175.19 1fwh s ILE 80 N -2.72 0.83 0.01 2.11 1.01 -0.15 -4.94 121.20 117.35 1fwh s ILE 80 Ca 0.09 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.44 1fwh s ILE 80 Cb -0.00 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 1fwh s ILE 80 CO -0.05 0.27 -0.17 -1.10 0.00 0.00 0.00 174.94 173.89 1fwh s GLN 81 N 0.37 1.26 -0.10 2.79 -0.21 -1.26 -0.65 119.66 121.87 1fwh s GLN 81 Ca -0.06 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 1fwh s GLN 81 Cb -0.11 -1.27 0.07 0.00 1.00 0.00 0.00 33.01 32.71 1fwh s GLN 81 CO 0.01 0.34 0.70 0.54 -2.12 0.00 0.00 175.29 174.75 1fwh s VAL 82 N -0.58 0.00 0.15 1.09 0.11 -0.92 -5.01 120.40 115.24 1fwh s VAL 82 Ca 0.06 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.21 1fwh s VAL 82 Cb -0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1fwh s VAL 82 CO 0.00 0.00 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.96 1fwh s GLU 83 N -0.88 1.65 0.21 1.54 2.02 -1.26 -1.23 118.70 120.75 1fwh s GLU 83 Ca -0.09 -1.32 -0.19 0.00 0.02 0.00 0.00 54.97 53.40 1fwh s GLU 83 Cb -0.01 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.25 1fwh s GLU 83 CO 0.08 0.45 0.57 0.00 0.02 0.00 0.00 175.26 176.38 1fwh s ALA 84 N -1.31 -1.06 -0.53 5.21 0.00 -1.16 -4.94 121.76 117.97 1fwh s ALA 84 Ca 0.18 -0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1fwh s ALA 84 Cb -0.10 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1fwh s ALA 84 CO 0.10 -0.84 1.03 0.99 0.00 0.00 0.00 175.76 177.03 1fwh s THR 85 N -3.87 4.28 0.79 0.00 2.01 -1.26 -2.60 115.64 114.99 1fwh s THR 85 Ca 0.09 0.66 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1fwh s THR 85 Cb -0.02 -4.58 0.12 0.00 0.01 0.00 0.00 72.50 68.04 1fwh s THR 85 CO -0.02 -1.11 1.11 -0.36 -0.69 0.00 0.00 174.62 173.55 1fwh s PHE 86 N 4.26 2.12 0.52 4.92 0.08 0.38 -4.37 117.98 125.89 1fwh s PHE 86 Ca 0.37 0.21 0.17 0.00 0.12 0.00 0.00 56.93 57.81 1fwh s PHE 86 Cb -0.10 -3.44 1.30 0.00 -0.57 0.00 0.00 43.02 40.20 1fwh s PHE 86 CO 0.24 -1.90 2.14 -1.35 -0.10 0.00 0.00 175.22 174.24 1fwh h PRO 87 N -0.93 0.00 -0.96 0.24 0.11 -1.92 -1.93 132.00 126.61 1fwh h PRO 87 Ca -0.42 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.11 1fwh h PRO 87 Cb 1.28 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.09 1fwh h PRO 87 CO 0.48 0.00 0.69 -0.40 -0.21 0.00 0.00 178.00 178.55 1fwh n ASP 88 N -4.51 5.60 0.00 -2.05 3.85 -1.26 -5.05 116.55 113.12 1fwh n ASP 88 Ca -0.02 -3.71 0.00 0.00 -0.71 0.00 0.00 54.79 50.36 1fwh n ASP 88 Cb 0.15 -0.88 0.00 0.00 -1.35 0.00 0.00 41.12 39.03 1fwh n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fwh n GLY 89 N -1.03 -2.41 3.73 6.12 0.00 -0.72 -4.93 105.19 105.95 1fwh n GLY 89 Ca 0.60 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1fwh n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fwh s SER 90 N -2.90 6.75 0.04 1.61 0.01 -1.26 -0.47 113.70 117.47 1fwh s SER 90 Ca 0.00 2.49 -0.00 0.00 1.31 0.00 0.00 55.95 59.75 1fwh s SER 90 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1fwh s SER 90 CO 0.00 -0.67 -0.03 -0.54 0.41 0.00 0.00 173.24 172.40 1fwh s LYS 91 N 0.46 0.46 -0.20 12.44 -0.14 -1.07 -4.92 119.74 126.77 1fwh s LYS 91 Ca 0.63 -0.89 -0.09 0.00 -1.36 0.00 0.00 55.97 54.26 1fwh s LYS 91 Cb -0.39 0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 35.83 1fwh s LYS 91 CO 0.36 -0.07 0.10 -1.17 -0.76 0.00 0.00 175.35 173.81 1fwh s LEU 92 N -2.12 4.01 -0.18 3.17 2.96 -1.26 -2.97 118.68 122.28 1fwh s LEU 92 Ca -0.05 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1fwh s LEU 92 Cb -0.02 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1fwh s LEU 92 CO -0.05 0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 1fwh s VAL 93 N 0.46 3.29 -0.18 1.68 1.01 -0.36 -5.00 120.40 121.30 1fwh s VAL 93 Ca 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1fwh s VAL 93 Cb -0.12 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1fwh s VAL 93 CO -0.00 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 1fwh s THR 94 N 0.95 2.74 -0.34 3.92 2.01 -1.26 -2.16 115.64 121.49 1fwh s THR 94 Ca -0.01 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1fwh s THR 94 Cb -0.15 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1fwh s THR 94 CO 0.00 0.49 0.11 -0.69 -0.69 0.00 0.00 174.62 173.84 1fwh s VAL 95 N 1.16 3.77 0.06 3.82 1.01 0.17 -4.74 120.40 125.65 1fwh s VAL 95 Ca 0.01 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 1fwh s VAL 95 Cb -0.14 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1fwh s VAL 95 CO -0.05 -0.20 0.83 -1.00 0.00 0.00 0.00 175.10 174.68 1fwh s HIS 96 N 1.39 3.75 -1.14 5.22 3.76 -1.26 -0.98 115.29 126.03 1fwh s HIS 96 Ca -0.01 1.57 -0.27 0.00 -0.15 0.00 0.00 55.06 56.20 1fwh s HIS 96 Cb -0.20 -2.90 0.02 0.00 1.11 0.00 0.00 32.58 30.62 1fwh s HIS 96 CO 0.03 0.24 0.71 0.09 -0.85 0.00 0.00 174.74 174.95 1fwh n ASN 97 N 2.88 -4.66 0.20 1.40 3.02 0.39 -4.86 115.26 113.63 1fwh n ASN 97 Ca -0.01 -1.16 0.11 0.00 -0.03 0.00 0.00 54.58 53.49 1fwh n ASN 97 Cb 0.50 -2.25 0.65 0.00 -0.61 0.00 0.00 39.78 38.07 1fwh n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fwh h PRO 98 N -2.12 0.00 -5.18 3.52 0.13 -1.77 -3.41 132.00 123.16 1fwh h PRO 98 Ca -0.68 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.80 1fwh h PRO 98 Cb 1.38 -0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.26 1fwh h PRO 98 CO 0.49 0.00 -0.71 0.42 -0.23 0.00 0.00 178.00 177.96 1fwh s ILE 99 N -5.06 3.48 0.00 -3.56 1.01 -1.26 -4.33 121.20 111.47 1fwh s ILE 99 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1fwh s ILE 99 Cb 0.18 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1fwh s ILE 99 CO 0.68 0.47 0.00 2.30 0.00 0.00 0.00 174.94 178.40