#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdh s LEU 2 N 0.00 4.18 0.00 7.52 1.43 -1.26 -5.06 118.68 125.50 1fdh s LEU 2 Ca 0.00 0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 53.62 1fdh s LEU 2 Cb 0.00 -2.65 0.20 0.00 0.03 0.00 0.00 46.19 43.77 1fdh s LEU 2 CO 0.00 -0.10 1.07 -1.54 0.23 0.00 0.00 176.35 176.01 1fdh n SER 3 N 4.41 -0.35 0.04 2.29 3.41 -1.26 -4.89 113.62 117.26 1fdh n SER 3 Ca -0.06 -1.33 0.12 0.00 -0.26 0.00 0.00 58.87 57.34 1fdh n SER 3 Cb 0.51 -0.85 0.18 0.00 -0.26 0.00 0.00 64.21 63.79 1fdh n SER 3 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1fdh n PRO 4 N -3.57 0.20 0.08 4.33 -0.04 -1.26 -2.72 135.00 132.01 1fdh n PRO 4 Ca 0.14 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1fdh n PRO 4 Cb 0.49 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1fdh n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdh h ALA 5 N 2.67 0.47 -0.37 0.55 0.00 -1.99 -1.76 119.26 118.83 1fdh h ALA 5 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 1fdh h ALA 5 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1fdh h ALA 5 CO 0.00 1.11 0.08 -0.44 0.00 0.00 0.00 179.25 180.00 1fdh h ASP 6 N 0.01 0.57 -0.24 0.00 3.32 -1.87 -1.30 116.42 116.91 1fdh h ASP 6 Ca -0.02 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 1fdh h ASP 6 Cb 1.63 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 1fdh h ASP 6 CO 0.13 0.67 -0.20 0.11 -1.72 0.00 0.00 179.24 178.22 1fdh h LYS 7 N 0.46 0.70 -0.23 3.56 1.57 -1.31 -0.76 116.57 120.56 1fdh h LYS 7 Ca 0.12 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1fdh h LYS 7 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1fdh h LYS 7 CO 0.00 0.85 0.08 1.15 -0.57 0.00 0.00 179.45 180.96 1fdh h THR 8 N 0.62 1.18 -0.88 -0.16 2.02 -1.22 -1.19 112.91 113.28 1fdh h THR 8 Ca 0.09 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1fdh h THR 8 Cb 0.68 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1fdh h THR 8 CO 0.05 0.18 0.57 0.78 0.37 0.00 0.00 175.52 177.47 1fdh h ASN 9 N 0.20 1.02 0.34 4.18 2.35 -0.86 -1.75 115.58 121.07 1fdh h ASN 9 Ca 0.07 -0.03 -0.24 0.00 -0.55 0.00 0.00 56.30 55.55 1fdh h ASN 9 Cb 0.20 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.32 1fdh h ASN 9 CO -0.00 0.75 -1.01 0.58 -1.65 0.00 0.00 177.43 176.09 1fdh h VAL 10 N 1.20 1.40 -0.42 2.81 2.07 -1.01 -2.66 116.25 119.64 1fdh h VAL 10 Ca 0.32 -2.52 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 1fdh h VAL 10 Cb -0.12 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1fdh h VAL 10 CO -0.07 0.75 -0.20 0.11 0.02 0.00 0.00 177.57 178.19 1fdh h LYS 11 N 0.22 0.83 0.00 1.57 1.57 -1.08 -1.75 116.57 117.93 1fdh h LYS 11 Ca -0.10 -0.33 -0.19 0.00 -1.87 0.00 0.00 60.65 58.17 1fdh h LYS 11 Cb 1.67 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 1fdh h LYS 11 CO 0.18 0.96 -0.84 0.00 -0.57 0.00 0.00 179.45 179.17 1fdh h ALA 12 N 1.04 0.58 0.06 3.86 0.00 -1.37 -2.21 119.26 121.24 1fdh h ALA 12 Ca 0.10 -0.72 -0.27 0.00 0.00 0.00 0.00 54.91 54.02 1fdh h ALA 12 Cb 0.72 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1fdh h ALA 12 CO 0.06 0.95 -1.12 0.00 0.00 0.00 0.00 179.25 179.13 1fdh h ALA 13 N 1.06 0.14 0.00 0.00 0.00 -1.44 -3.15 119.26 115.87 1fdh h ALA 13 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1fdh h ALA 13 Cb 1.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1fdh h ALA 13 CO 0.12 0.76 0.00 1.87 0.00 0.00 0.00 179.25 182.01 1fdh n TRP 14 N -3.75 0.85 0.05 0.00 -0.00 -0.66 -2.93 117.44 110.99 1fdh n TRP 14 Ca -0.10 0.25 -0.13 0.00 -0.00 0.00 0.00 57.50 57.52 1fdh n TRP 14 Cb 0.93 -0.91 -0.03 0.00 -0.00 0.00 0.00 31.31 31.29 1fdh n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1fdh h GLY 15 N 4.36 0.52 2.00 5.87 0.00 -1.36 -1.48 103.07 112.98 1fdh h GLY 15 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1fdh h GLY 15 CO 0.00 0.75 0.00 1.70 0.00 0.00 0.00 176.54 178.99 1fdh h LYS 16 N 0.29 0.00 0.07 4.80 3.11 -1.50 -2.08 116.57 121.26 1fdh h LYS 16 Ca -0.07 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.67 1fdh h LYS 16 Cb 1.50 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.74 1fdh h LYS 16 CO 0.16 0.00 -0.47 0.28 -2.81 0.00 0.00 179.45 176.61 1fdh h VAL 17 N 0.00 1.62 0.00 2.00 2.07 -1.50 -3.45 116.25 116.98 1fdh h VAL 17 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1fdh h VAL 17 Cb 0.49 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1fdh h VAL 17 CO 0.00 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1fdh n GLY 18 N 1.64 0.48 0.77 2.17 0.00 -0.58 -0.63 105.19 109.03 1fdh n GLY 18 Ca -0.13 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1fdh n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdh n ALA 19 N 5.49 2.49 1.37 4.61 0.00 -1.26 -4.20 120.51 129.01 1fdh n ALA 19 Ca 0.00 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.92 1fdh n ALA 19 Cb 0.00 -0.66 0.44 0.00 0.00 0.00 0.00 19.45 19.24 1fdh n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fdh n HIS 20 N 1.06 0.04 -0.27 0.00 -0.00 0.20 -4.48 115.22 111.77 1fdh n HIS 20 Ca 0.11 -0.02 0.17 0.00 -0.00 0.00 0.00 57.72 57.98 1fdh n HIS 20 Cb 0.48 0.00 0.45 0.00 -0.00 0.00 0.00 29.99 30.92 1fdh n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fdh h ALA 21 N 4.36 2.03 0.01 -1.41 0.00 -1.73 0.44 119.26 122.95 1fdh h ALA 21 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1fdh h ALA 21 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1fdh h ALA 21 CO 0.00 -0.33 -0.88 0.78 0.00 0.00 0.00 179.25 178.82 1fdh h GLY 22 N 0.53 0.04 0.71 0.00 0.00 -1.80 -0.65 103.07 101.92 1fdh h GLY 22 Ca 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1fdh h GLY 22 CO -0.23 0.08 -0.06 -2.09 0.00 0.00 0.00 176.54 174.24 1fdh h GLU 23 N 0.02 0.25 0.00 4.80 4.81 -1.18 -1.51 114.58 121.77 1fdh h GLU 23 Ca -0.02 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1fdh h GLU 23 Cb 1.55 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1fdh h GLU 23 CO 0.12 0.60 -0.44 1.88 -0.73 0.00 0.00 179.01 180.44 1fdh h TYR 24 N -0.10 0.00 0.00 0.92 0.99 -0.23 -2.41 116.97 116.14 1fdh h TYR 24 Ca 0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 1fdh h TYR 24 Cb 0.53 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 1fdh h TYR 24 CO 0.07 0.44 -0.52 0.78 -0.00 0.00 0.00 178.16 178.93 1fdh h GLY 25 N 1.49 0.00 1.72 3.88 0.00 -0.94 -1.31 103.07 107.91 1fdh h GLY 25 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1fdh h GLY 25 CO 0.06 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.40 1fdh h ALA 26 N 1.48 0.42 -0.20 3.60 0.00 -1.02 -3.19 119.26 120.35 1fdh h ALA 26 Ca -0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 54.91 53.67 1fdh h ALA 26 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1fdh h ALA 26 CO 0.07 1.30 -0.66 1.49 0.00 0.00 0.00 179.25 181.45 1fdh h GLU 27 N 0.01 0.76 0.09 0.00 4.81 -1.29 -2.73 114.58 116.23 1fdh h GLU 27 Ca -0.09 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.61 1fdh h GLU 27 Cb 1.85 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 1fdh h GLU 27 CO 0.12 1.17 -0.17 0.00 -0.73 0.00 0.00 179.01 179.40 1fdh h ALA 28 N 0.70 -0.28 -0.97 2.92 0.00 -1.32 -2.30 119.26 118.01 1fdh h ALA 28 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1fdh h ALA 28 Cb 1.26 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1fdh h ALA 28 CO 0.14 -0.69 0.62 -0.07 0.00 0.00 0.00 179.25 179.24 1fdh h LEU 29 N -0.33 0.91 -0.68 0.00 3.38 -1.53 -1.52 115.31 115.53 1fdh h LEU 29 Ca 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1fdh h LEU 29 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1fdh h LEU 29 CO -0.10 0.51 0.23 -0.08 0.09 0.00 0.00 178.44 179.10 1fdh h GLU 30 N 0.99 1.04 0.00 1.13 4.81 -1.19 -1.25 114.58 120.11 1fdh h GLU 30 Ca 0.46 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1fdh h GLU 30 Cb 0.42 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1fdh h GLU 30 CO -0.22 0.89 -0.30 0.00 -0.73 0.00 0.00 179.01 178.65 1fdh h ARG 31 N 0.98 0.00 0.01 1.92 3.08 -0.76 -1.66 114.38 117.96 1fdh h ARG 31 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1fdh h ARG 31 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1fdh h ARG 31 CO -0.01 0.30 -0.01 1.98 -1.07 0.00 0.00 179.97 181.17 1fdh h MET 32 N 0.00 -0.02 -0.83 0.04 4.05 -0.73 -0.94 114.93 116.51 1fdh h MET 32 Ca -0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1fdh h MET 32 Cb 0.58 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.33 1fdh h MET 32 CO 0.04 0.62 0.54 0.74 0.23 0.00 0.00 176.91 179.08 1fdh h PHE 33 N -0.67 0.95 0.23 1.39 0.04 -1.09 0.41 116.94 118.20 1fdh h PHE 33 Ca -0.00 0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.46 1fdh h PHE 33 Cb 0.64 -0.31 0.03 0.00 2.20 0.00 0.00 35.95 38.51 1fdh h PHE 33 CO 0.15 0.52 -1.50 -0.07 -0.60 0.00 0.00 178.31 176.81 1fdh h LEU 34 N 0.95 0.77 0.00 1.54 3.38 -1.35 -3.02 115.31 117.58 1fdh h LEU 34 Ca 0.35 -0.86 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 1fdh h LEU 34 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1fdh h LEU 34 CO -0.12 1.68 -0.68 0.28 0.09 0.00 0.00 178.44 179.70 1fdh h SER 35 N 0.13 0.00 -2.01 -0.43 0.02 -1.02 -3.39 113.55 106.86 1fdh h SER 35 Ca -0.26 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.16 1fdh h SER 35 Cb 2.14 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.29 1fdh h SER 35 CO 0.25 0.43 -1.13 0.49 -1.14 0.00 0.00 176.83 175.74 1fdh n PHE 36 N -3.11 -0.08 0.05 3.45 3.01 0.14 -4.97 117.46 115.96 1fdh n PHE 36 Ca -0.00 -3.66 0.15 0.00 1.01 0.00 0.00 57.45 54.95 1fdh n PHE 36 Cb 0.72 -0.38 0.28 0.00 -0.01 0.00 0.00 39.48 40.10 1fdh n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1fdh h PRO 37 N 3.66 0.00 0.00 -1.08 0.13 -1.67 0.25 132.00 133.29 1fdh h PRO 37 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1fdh h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1fdh h PRO 37 CO 0.48 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.22 1fdh h THR 38 N 0.00 0.73 0.00 1.56 1.03 -1.89 0.34 112.91 114.69 1fdh h THR 38 Ca 0.25 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.53 1fdh h THR 38 Cb 2.36 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 70.52 1fdh h THR 38 CO -0.00 0.03 0.00 0.35 -0.01 0.00 0.00 175.52 175.89 1fdh n THR 39 N -4.08 0.63 -0.07 0.00 -2.24 0.89 -3.21 114.28 106.20 1fdh n THR 39 Ca -0.03 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1fdh n THR 39 Cb 0.12 -0.83 0.30 0.00 -2.10 0.00 0.00 70.33 67.81 1fdh n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1fdh h LYS 40 N 0.00 0.69 0.00 -0.78 1.57 -1.09 -3.11 116.57 113.85 1fdh h LYS 40 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1fdh h LYS 40 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1fdh h LYS 40 CO 0.00 0.57 0.21 1.79 -0.57 0.00 0.00 179.45 181.45 1fdh h THR 41 N 0.69 0.00 -0.03 -0.16 1.35 -1.72 0.25 112.91 113.28 1fdh h THR 41 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1fdh h THR 41 Cb 0.13 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1fdh h THR 41 CO -0.02 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.03 1fdh n TYR 42 N -2.15 0.02 -2.69 4.73 4.01 -1.18 -4.42 117.16 115.48 1fdh n TYR 42 Ca -0.01 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1fdh n TYR 42 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 1fdh n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1fdh n PHE 43 N 0.66 1.67 0.27 -0.72 3.01 0.89 -4.87 117.46 118.36 1fdh n PHE 43 Ca 0.17 -3.03 0.16 0.00 1.01 0.00 0.00 57.45 55.76 1fdh n PHE 43 Cb 0.45 -0.32 0.61 0.00 -0.01 0.00 0.00 39.48 40.21 1fdh n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1fdh h PRO 44 N 2.91 0.00 -0.36 -1.08 0.13 -1.77 -2.93 132.00 128.89 1fdh h PRO 44 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1fdh h PRO 44 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1fdh h PRO 44 CO 0.59 0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 175.98 1fdh n HIS 45 N -3.10 0.48 -3.90 1.56 1.44 -1.26 -4.91 115.22 105.52 1fdh n HIS 45 Ca 0.01 -0.24 -0.21 0.00 -2.01 0.00 0.00 57.72 55.27 1fdh n HIS 45 Cb 0.34 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.41 1fdh n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1fdh s PHE 46 N -1.52 3.01 -0.18 -1.40 2.99 -1.11 -5.07 117.98 114.70 1fdh s PHE 46 Ca 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 56.93 57.00 1fdh s PHE 46 Cb 0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 43.02 41.51 1fdh s PHE 46 CO 0.24 0.30 -0.06 0.34 -0.00 0.00 0.00 175.22 176.04 1fdh s ASP 47 N -3.95 4.38 -0.29 1.36 2.15 -1.26 -4.95 116.67 114.12 1fdh s ASP 47 Ca 0.38 -0.30 0.10 0.00 0.43 0.00 0.00 52.55 53.16 1fdh s ASP 47 Cb -0.07 -1.72 0.53 0.00 -0.30 0.00 0.00 42.92 41.36 1fdh s ASP 47 CO 0.26 0.08 1.51 0.18 -0.17 0.00 0.00 175.17 177.03 1fdh n LEU 48 N 4.13 4.40 -4.77 -1.34 4.77 -1.26 -4.55 117.00 118.38 1fdh n LEU 48 Ca -0.18 -3.60 -0.36 0.00 -0.03 0.00 0.00 56.01 51.84 1fdh n LEU 48 Cb 0.52 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1fdh n LEU 48 CO 0.30 1.11 0.81 -0.94 -1.33 0.00 0.00 177.39 177.35 1fdh s SER 49 N -2.26 5.73 0.24 -1.43 1.04 -1.26 -4.87 113.70 110.89 1fdh s SER 49 Ca 0.46 2.25 -0.30 0.00 0.48 0.00 0.00 55.95 58.84 1fdh s SER 49 Cb 0.40 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.83 1fdh s SER 49 CO 0.03 -1.22 1.48 -2.28 0.98 0.00 0.00 173.24 172.23 1fdh s HIS 50 N -1.68 2.98 0.00 5.02 2.46 -1.26 -2.80 115.29 120.01 1fdh s HIS 50 Ca 0.71 0.94 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1fdh s HIS 50 Cb -0.26 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 1fdh s HIS 50 CO 0.30 -2.91 0.00 0.41 -2.47 0.00 0.00 174.74 170.07 1fdh n GLY 51 N 2.40 0.84 3.75 1.59 0.00 -1.26 -5.04 105.19 107.46 1fdh n GLY 51 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1fdh n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fdh s SER 52 N -2.76 6.98 0.62 1.61 1.04 -1.12 -4.90 113.70 115.17 1fdh s SER 52 Ca 0.00 2.42 0.31 0.00 0.48 0.00 0.00 55.95 59.16 1fdh s SER 52 Cb 0.00 -2.62 1.73 0.00 0.10 0.00 0.00 66.02 65.22 1fdh s SER 52 CO 0.00 -0.42 2.06 0.00 0.98 0.00 0.00 173.24 175.86 1fdh h ALA 53 N 4.48 1.64 -0.53 5.32 0.00 -1.93 -1.59 119.26 126.66 1fdh h ALA 53 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1fdh h ALA 53 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1fdh h ALA 53 CO 0.71 -0.33 0.23 0.37 0.00 0.00 0.00 179.25 180.24 1fdh h GLN 54 N 0.00 0.77 0.00 0.00 4.15 -1.90 0.40 115.11 118.52 1fdh h GLN 54 Ca 0.07 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.16 1fdh h GLN 54 Cb 0.57 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1fdh h GLN 54 CO -0.00 0.66 -1.09 0.28 -1.93 0.00 0.00 178.83 176.74 1fdh h VAL 55 N 0.71 1.34 -0.38 2.39 2.07 -1.55 -2.34 116.25 118.48 1fdh h VAL 55 Ca 0.18 -3.01 -0.15 0.00 0.82 0.00 0.00 66.70 64.54 1fdh h VAL 55 Cb 0.16 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1fdh h VAL 55 CO -0.02 0.76 -0.36 0.11 0.02 0.00 0.00 177.57 178.08 1fdh h LYS 56 N 0.00 0.91 -0.43 1.57 1.57 -1.23 -1.82 116.57 117.15 1fdh h LYS 56 Ca -0.07 -0.48 -0.13 0.00 -1.87 0.00 0.00 60.65 58.10 1fdh h LYS 56 Cb 1.75 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1fdh h LYS 56 CO 0.10 1.13 -0.25 0.78 -0.57 0.00 0.00 179.45 180.64 1fdh h GLY 57 N 0.73 0.98 1.35 3.86 0.00 -0.23 -2.89 103.07 106.88 1fdh h GLY 57 Ca 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 47.33 46.39 1fdh h GLY 57 CO 0.09 0.80 -0.27 0.84 0.00 0.00 0.00 176.54 178.01 1fdh h HIS 58 N 0.78 0.84 0.00 5.60 -0.00 -1.34 -2.68 115.15 118.35 1fdh h HIS 58 Ca 0.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.21 1fdh h HIS 58 Cb 0.81 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.01 1fdh h HIS 58 CO 0.05 0.92 -0.24 0.78 -0.00 0.00 0.00 177.93 179.44 1fdh h GLY 59 N 0.97 0.00 1.61 5.26 0.00 -1.25 0.91 103.07 110.57 1fdh h GLY 59 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.15 1fdh h GLY 59 CO 0.06 0.00 -1.15 1.70 0.00 0.00 0.00 176.54 177.15 1fdh h LYS 60 N 0.00 0.31 -0.35 4.80 3.64 -1.38 -0.90 116.57 122.68 1fdh h LYS 60 Ca -0.00 -0.46 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 1fdh h LYS 60 Cb 0.57 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1fdh h LYS 60 CO 0.03 1.18 -0.29 0.87 -2.27 0.00 0.00 179.45 178.97 1fdh h LYS 61 N 0.12 0.75 0.06 1.90 1.57 -1.05 -0.95 116.57 118.97 1fdh h LYS 61 Ca -0.12 -0.34 -0.26 0.00 -1.87 0.00 0.00 60.65 58.07 1fdh h LYS 61 Cb 1.85 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.15 1fdh h LYS 61 CO 0.19 0.95 -1.10 0.28 -0.57 0.00 0.00 179.45 179.20 1fdh h VAL 62 N 0.64 1.37 -0.15 0.50 2.07 -0.81 -2.82 116.25 117.05 1fdh h VAL 62 Ca 0.08 -2.54 -0.13 0.00 0.82 0.00 0.00 66.70 64.92 1fdh h VAL 62 Cb 0.82 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1fdh h VAL 62 CO 0.07 0.76 -0.48 0.00 0.02 0.00 0.00 177.57 177.94 1fdh h ALA 63 N 0.55 0.90 -0.09 1.67 0.00 -1.14 -2.46 119.26 118.69 1fdh h ALA 63 Ca -0.13 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1fdh h ALA 63 Cb 1.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1fdh h ALA 63 CO 0.20 0.66 -0.49 -0.44 0.00 0.00 0.00 179.25 179.17 1fdh h ASP 64 N 0.31 0.25 0.57 0.00 3.32 -1.19 -0.02 116.42 119.66 1fdh h ASP 64 Ca 0.02 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 1fdh h ASP 64 Cb 0.96 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1fdh h ASP 64 CO 0.08 0.70 -0.74 0.00 -1.72 0.00 0.00 179.24 177.57 1fdh h ALA 65 N 1.31 0.73 -0.28 3.45 0.00 -1.39 -1.73 119.26 121.35 1fdh h ALA 65 Ca 0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 1fdh h ALA 65 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1fdh h ALA 65 CO 0.08 0.85 -0.52 1.25 0.00 0.00 0.00 179.25 180.91 1fdh h LEU 66 N 0.08 0.88 -0.56 0.00 5.85 -1.02 -1.50 115.31 119.04 1fdh h LEU 66 Ca -0.02 -0.46 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1fdh h LEU 66 Cb 1.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1fdh h LEU 66 CO 0.11 1.23 -0.07 0.74 -0.34 0.00 0.00 178.44 180.11 1fdh h THR 67 N 0.62 1.27 -0.19 1.05 2.02 -0.86 -1.25 112.91 115.56 1fdh h THR 67 Ca 0.02 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 1fdh h THR 67 Cb 1.11 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1fdh h THR 67 CO 0.11 0.43 -0.12 -1.13 0.37 0.00 0.00 175.52 175.18 1fdh h ASN 68 N 0.91 0.29 0.45 4.18 -1.24 -1.20 -1.30 115.58 117.68 1fdh h ASN 68 Ca 0.15 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.93 1fdh h ASN 68 Cb 0.63 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1fdh h ASN 68 CO 0.04 0.45 -0.72 0.00 -1.29 0.00 0.00 177.43 175.90 1fdh h ALA 69 N 1.59 0.70 -0.00 1.57 0.00 -0.68 -2.53 119.26 119.90 1fdh h ALA 69 Ca 0.06 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 1fdh h ALA 69 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fdh h ALA 69 CO 0.02 0.81 -0.76 0.28 0.00 0.00 0.00 179.25 179.61 1fdh h VAL 70 N 0.15 1.53 0.00 0.00 2.07 -0.83 -0.18 116.25 118.99 1fdh h VAL 70 Ca -0.02 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1fdh h VAL 70 Cb 1.28 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1fdh h VAL 70 CO 0.11 0.73 0.00 0.00 0.02 0.00 0.00 177.57 178.43 1fdh h ALA 71 N 1.22 1.00 0.00 1.67 0.00 -1.10 -3.20 119.26 118.86 1fdh h ALA 71 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1fdh h ALA 71 Cb 1.34 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1fdh h ALA 71 CO 0.10 0.00 -0.63 0.72 0.00 0.00 0.00 179.25 179.44 1fdh n HIS 72 N -2.76 0.00 0.14 0.00 8.25 -0.97 -4.88 115.22 114.99 1fdh n HIS 72 Ca 0.03 -1.07 0.03 0.00 -0.26 0.00 0.00 57.72 56.45 1fdh n HIS 72 Cb 0.36 -0.20 0.18 0.00 1.12 0.00 0.00 29.99 31.45 1fdh n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1fdh n VAL 73 N -0.58 0.41 0.05 1.59 3.14 -0.11 0.16 118.33 122.99 1fdh n VAL 73 Ca 0.14 0.71 0.11 0.00 -2.96 0.00 0.00 64.34 62.34 1fdh n VAL 73 Cb 0.83 -1.71 -0.15 0.00 -1.06 0.00 0.00 33.84 31.76 1fdh n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1fdh n ASP 74 N -1.82 0.14 -1.82 6.55 8.00 -1.26 -4.39 116.55 121.95 1fdh n ASP 74 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1fdh n ASP 74 Cb 0.47 1.77 0.07 0.00 -0.02 0.00 0.00 41.12 43.41 1fdh n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1fdh n ASP 75 N -2.28 2.42 -0.34 -2.24 2.03 0.12 -4.96 116.55 111.31 1fdh n ASP 75 Ca -0.03 -2.92 0.17 0.00 0.52 0.00 0.00 54.79 52.53 1fdh n ASP 75 Cb 0.56 -0.41 0.38 0.00 -0.72 0.00 0.00 41.12 40.92 1fdh n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1fdh h MET 76 N 1.78 0.52 -0.78 -0.67 2.86 -1.35 -2.87 114.93 114.42 1fdh h MET 76 Ca 0.01 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1fdh h MET 76 Cb 1.42 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1fdh h MET 76 CO 0.28 0.34 0.31 -1.00 1.06 0.00 0.00 176.91 177.91 1fdh h PRO 77 N 0.54 1.17 -0.24 -0.22 0.13 -1.93 -1.36 132.00 130.09 1fdh h PRO 77 Ca 0.64 -0.22 -0.16 0.00 -0.87 0.00 0.00 66.00 65.39 1fdh h PRO 77 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1fdh h PRO 77 CO -0.49 0.95 -0.49 -0.91 -0.23 0.00 0.00 178.00 176.83 1fdh h ASN 78 N 1.13 0.84 -0.22 1.44 4.21 -1.94 -2.57 115.58 118.47 1fdh h ASN 78 Ca 0.26 -0.55 -0.06 0.00 1.21 0.00 0.00 56.30 57.16 1fdh h ASN 78 Cb 0.22 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1fdh h ASN 78 CO -0.02 1.23 -0.04 0.00 -1.29 0.00 0.00 177.43 177.31 1fdh h ALA 79 N 0.63 1.28 -0.68 -0.83 0.00 -1.30 -2.71 119.26 115.64 1fdh h ALA 79 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1fdh h ALA 79 Cb 1.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1fdh h ALA 79 CO 0.11 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1fdh n LEU 80 N -4.24 4.54 -0.02 0.00 4.77 -0.53 -4.71 117.00 116.80 1fdh n LEU 80 Ca 0.01 -2.29 -0.12 0.00 -0.03 0.00 0.00 56.01 53.59 1fdh n LEU 80 Cb 0.28 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1fdh n LEU 80 CO 0.40 0.86 0.59 -1.28 -1.33 0.00 0.00 177.39 176.63 1fdh h SER 81 N 4.19 -1.31 0.04 -1.43 0.87 -1.12 0.93 113.55 115.73 1fdh h SER 81 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1fdh h SER 81 Cb 1.32 0.54 -0.00 0.00 -0.44 0.00 0.00 62.40 63.82 1fdh h SER 81 CO 0.17 -0.41 -0.07 0.00 -0.53 0.00 0.00 176.83 175.99 1fdh h ALA 82 N 0.21 1.80 -0.00 6.23 0.00 -1.84 0.82 119.26 126.48 1fdh h ALA 82 Ca 0.09 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1fdh h ALA 82 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1fdh h ALA 82 CO -0.43 0.15 -0.84 1.25 0.00 0.00 0.00 179.25 179.38 1fdh h LEU 83 N 0.07 0.17 -0.33 0.00 5.85 -1.76 0.56 115.31 119.87 1fdh h LEU 83 Ca 0.02 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 1fdh h LEU 83 Cb 0.17 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1fdh h LEU 83 CO 0.01 0.93 -0.42 0.77 -0.34 0.00 0.00 178.44 179.39 1fdh h SER 84 N 0.07 0.94 -0.58 1.25 4.64 0.25 -2.15 113.55 117.97 1fdh h SER 84 Ca -0.03 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1fdh h SER 84 Cb 1.46 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1fdh h SER 84 CO 0.12 1.25 0.32 0.44 -0.87 0.00 0.00 176.83 178.09 1fdh h ASP 85 N 0.66 0.73 0.17 4.97 5.19 -0.67 -1.95 116.42 125.51 1fdh h ASP 85 Ca 0.04 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1fdh h ASP 85 Cb 1.02 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1fdh h ASP 85 CO 0.10 0.61 -0.09 0.25 -3.12 0.00 0.00 179.24 176.99 1fdh h LEU 86 N 0.79 -0.21 -0.81 1.55 5.85 -0.58 -2.02 115.31 119.87 1fdh h LEU 86 Ca 0.21 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.09 1fdh h LEU 86 Cb 0.04 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1fdh h LEU 86 CO -0.03 -0.14 0.38 0.45 -0.34 0.00 0.00 178.44 178.75 1fdh h HIS 87 N -0.23 0.65 -0.95 1.25 3.86 -1.48 -1.66 115.15 116.59 1fdh h HIS 87 Ca -0.02 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1fdh h HIS 87 Cb 0.18 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 1fdh h HIS 87 CO 0.16 0.11 0.62 0.00 0.86 0.00 0.00 177.93 179.68 1fdh h ALA 88 N 1.57 1.23 0.00 2.45 0.00 -1.34 2.27 119.26 125.43 1fdh h ALA 88 Ca 0.45 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1fdh h ALA 88 Cb 0.68 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fdh h ALA 88 CO -0.40 0.55 -1.60 0.72 0.00 0.00 0.00 179.25 178.53 1fdh n HIS 89 N -4.45 0.00 -0.03 0.00 8.25 -0.76 -4.45 115.22 113.78 1fdh n HIS 89 Ca 0.12 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.54 1fdh n HIS 89 Cb 0.05 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1fdh n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1fdh n LYS 90 N -2.12 0.20 -0.16 -0.41 4.81 -0.67 -4.78 118.16 115.03 1fdh n LYS 90 Ca -0.09 0.08 -0.08 0.00 -0.87 0.00 0.00 58.31 57.35 1fdh n LYS 90 Cb 0.54 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.81 1fdh n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1fdh h LEU 91 N -0.38 0.61 -2.45 3.14 3.38 -1.60 -3.48 115.31 114.54 1fdh h LEU 91 Ca 0.00 -0.14 -0.56 0.00 0.09 0.00 0.00 57.88 57.27 1fdh h LEU 91 Cb 0.38 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1fdh h LEU 91 CO 0.00 0.58 -0.95 0.54 0.09 0.00 0.00 178.44 178.70 1fdh n ARG 92 N -4.63 -1.61 -2.67 1.13 1.74 0.77 -4.93 116.66 106.46 1fdh n ARG 92 Ca 0.01 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 1fdh n ARG 92 Cb 0.13 -3.75 -0.04 0.00 -1.02 0.00 0.00 32.46 27.77 1fdh n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fdh s VAL 93 N -4.02 4.44 0.18 1.55 1.01 -1.25 -4.96 120.40 117.33 1fdh s VAL 93 Ca 0.13 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.75 1fdh s VAL 93 Cb -0.06 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 1fdh s VAL 93 CO 0.95 0.27 1.63 -0.62 0.00 0.00 0.00 175.10 177.33 1fdh s ASP 94 N 0.23 6.51 0.29 3.32 2.15 -1.26 -4.88 116.67 123.04 1fdh s ASP 94 Ca 0.49 2.70 0.15 0.00 0.43 0.00 0.00 52.55 56.32 1fdh s ASP 94 Cb -0.24 -2.59 0.83 0.00 -0.30 0.00 0.00 42.92 40.61 1fdh s ASP 94 CO 0.30 -0.88 1.40 -0.81 -0.17 0.00 0.00 175.17 175.02 1fdh n PRO 95 N 4.05 0.10 0.23 4.34 -0.04 -1.26 -1.34 135.00 141.08 1fdh n PRO 95 Ca 0.15 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 1fdh n PRO 95 Cb 0.37 -2.00 0.57 0.00 -0.04 0.00 0.00 33.50 32.41 1fdh n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fdh h VAL 96 N 0.00 0.79 0.00 0.52 2.07 -2.03 -2.75 116.25 114.85 1fdh h VAL 96 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1fdh h VAL 96 Cb 0.33 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1fdh h VAL 96 CO 0.00 0.20 0.00 0.78 0.02 0.00 0.00 177.57 178.57 1fdh h ASN 97 N 0.00 0.00 0.51 0.57 4.21 -1.58 -3.13 115.58 116.16 1fdh h ASN 97 Ca -0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1fdh h ASN 97 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1fdh h ASN 97 CO 0.03 0.00 -0.81 -0.26 -1.29 0.00 0.00 177.43 175.09 1fdh h PHE 98 N 0.00 0.32 -0.35 1.19 0.04 -1.67 -2.44 116.94 114.03 1fdh h PHE 98 Ca 0.00 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.56 1fdh h PHE 98 Cb 0.63 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1fdh h PHE 98 CO 0.00 0.94 0.01 -0.22 -0.60 0.00 0.00 178.31 178.45 1fdh h LYS 99 N 0.14 0.54 -0.18 1.51 3.64 -1.66 -0.66 116.57 119.90 1fdh h LYS 99 Ca -0.04 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 1fdh h LYS 99 Cb 1.41 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1fdh h LYS 99 CO 0.13 0.56 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.35 1fdh h LEU 100 N 0.52 0.71 -0.26 5.20 3.38 -1.52 -2.83 115.31 120.52 1fdh h LEU 100 Ca 0.11 -0.57 -0.21 0.00 0.09 0.00 0.00 57.88 57.31 1fdh h LEU 100 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fdh h LEU 100 CO 0.01 1.15 -0.87 0.25 0.09 0.00 0.00 178.44 179.07 1fdh h LEU 101 N 0.30 0.45 -1.24 1.67 6.46 -1.39 -2.98 115.31 118.57 1fdh h LEU 101 Ca -0.00 -0.34 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1fdh h LEU 101 Cb 1.06 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.80 1fdh h LEU 101 CO 0.10 1.13 0.55 0.28 -0.62 0.00 0.00 178.44 179.87 1fdh h SER 102 N 0.21 0.80 0.49 1.25 0.02 -1.16 -1.80 113.55 113.36 1fdh h SER 102 Ca -0.06 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1fdh h SER 102 Cb 1.49 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 1fdh h SER 102 CO 0.15 0.50 -0.83 -0.74 -1.14 0.00 0.00 176.83 174.77 1fdh h HIS 103 N 0.90 0.36 0.00 3.45 -0.00 -1.36 -2.06 115.15 116.43 1fdh h HIS 103 Ca 0.37 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1fdh h HIS 103 Cb 0.26 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1fdh h HIS 103 CO -0.00 0.97 -0.18 0.00 -0.00 0.00 0.00 177.93 178.72 1fdh h LEU 105 N 0.00 0.60 -0.12 0.00 5.85 -1.28 0.17 115.31 120.53 1fdh h LEU 105 Ca -0.00 -0.86 0.03 0.00 0.84 0.00 0.00 57.88 57.90 1fdh h LEU 105 Cb 0.92 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1fdh h LEU 105 CO 0.02 1.40 -0.08 0.25 -0.34 0.00 0.00 178.44 179.69 1fdh h LEU 106 N -0.11 -0.27 -1.31 2.25 5.85 -1.09 -0.39 115.31 120.24 1fdh h LEU 106 Ca -0.13 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1fdh h LEU 106 Cb 1.61 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 1fdh h LEU 106 CO 0.17 -0.11 0.19 0.58 -0.34 0.00 0.00 178.44 178.92 1fdh h VAL 107 N -0.09 1.17 -0.13 1.05 2.07 -0.98 -0.93 116.25 118.41 1fdh h VAL 107 Ca 0.08 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.92 1fdh h VAL 107 Cb 0.20 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1fdh h VAL 107 CO -0.18 0.21 -0.53 0.74 0.02 0.00 0.00 177.57 177.83 1fdh h THR 108 N 0.66 1.34 -0.10 2.57 2.02 -0.06 -2.61 112.91 116.72 1fdh h THR 108 Ca 0.16 -1.80 -0.20 0.00 0.77 0.00 0.00 66.41 65.34 1fdh h THR 108 Cb 0.13 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1fdh h THR 108 CO -0.02 0.54 -0.75 -0.07 0.37 0.00 0.00 175.52 175.60 1fdh h LEU 109 N 0.29 0.64 -1.29 2.58 4.07 -0.71 -3.11 115.31 117.78 1fdh h LEU 109 Ca 0.01 -0.42 -0.04 0.00 0.08 0.00 0.00 57.88 57.50 1fdh h LEU 109 Cb 1.03 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 1fdh h LEU 109 CO 0.09 1.18 0.05 0.00 -1.08 0.00 0.00 178.44 178.68 1fdh h ALA 110 N 0.80 1.43 -0.01 1.53 0.00 -1.02 -2.67 119.26 119.34 1fdh h ALA 110 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fdh h ALA 110 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1fdh h ALA 110 CO 0.14 0.41 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1fdh n ALA 111 N -2.48 2.65 0.00 0.00 0.00 -1.00 -4.15 120.51 115.53 1fdh n ALA 111 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1fdh n ALA 111 Cb 0.21 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1fdh n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fdh n HIS 112 N -0.60 0.00 -3.24 0.00 -0.00 -1.02 -4.72 115.22 105.63 1fdh n HIS 112 Ca 0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.68 1fdh n HIS 112 Cb 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 1fdh n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1fdh n LEU 113 N -0.91 3.19 0.00 2.41 4.77 -1.11 -4.93 117.00 120.42 1fdh n LEU 113 Ca 0.00 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.62 1fdh n LEU 113 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1fdh n LEU 113 CO 0.00 2.16 0.00 -0.81 -1.33 0.00 0.00 177.39 177.41 1fdh n PRO 114 N 0.60 0.00 -3.19 3.23 -0.04 -1.26 -2.25 135.00 132.09 1fdh n PRO 114 Ca 0.29 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.55 1fdh n PRO 114 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 1fdh n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdh n ALA 115 N -3.67 2.08 -0.01 0.55 0.00 -1.26 -4.55 120.51 113.65 1fdh n ALA 115 Ca 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 53.44 50.03 1fdh n ALA 115 Cb 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1fdh n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fdh n GLU 116 N 0.47 3.06 -0.65 0.00 -0.58 -0.95 -4.78 120.64 117.22 1fdh n GLU 116 Ca 0.24 -0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.57 1fdh n GLU 116 Cb 0.64 -1.05 -0.09 0.00 -0.57 0.00 0.00 31.44 30.37 1fdh n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1fdh n PHE 117 N -1.98 0.54 -2.52 -0.32 7.35 -1.21 -4.83 117.46 114.48 1fdh n PHE 117 Ca -0.02 -0.89 -0.32 0.00 -0.76 0.00 0.00 57.45 55.45 1fdh n PHE 117 Cb 0.47 -1.02 -0.04 0.00 0.35 0.00 0.00 39.48 39.23 1fdh n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1fdh s THR 118 N 6.23 4.48 0.37 -2.13 2.01 -1.26 -4.75 115.64 120.59 1fdh s THR 118 Ca 0.60 1.30 0.07 0.00 0.31 0.00 0.00 61.69 63.97 1fdh s THR 118 Cb 0.14 -3.68 0.30 0.00 0.01 0.00 0.00 72.50 69.27 1fdh s THR 118 CO 0.25 -0.57 1.95 1.55 -0.69 0.00 0.00 174.62 177.11 1fdh h PRO 119 N 1.22 0.70 -0.03 4.92 0.13 -1.98 2.81 132.00 139.77 1fdh h PRO 119 Ca -0.47 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1fdh h PRO 119 Cb 1.18 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1fdh h PRO 119 CO 0.61 0.46 -0.48 0.00 -0.23 0.00 0.00 178.00 178.36 1fdh h ALA 120 N 1.61 1.14 0.07 -0.56 0.00 -1.96 -1.67 119.26 117.89 1fdh h ALA 120 Ca 0.33 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.50 1fdh h ALA 120 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1fdh h ALA 120 CO -0.11 0.62 -1.55 0.28 0.00 0.00 0.00 179.25 178.49 1fdh h VAL 121 N 0.06 1.10 -0.84 0.00 2.07 -0.47 -2.88 116.25 115.28 1fdh h VAL 121 Ca -0.00 -2.82 0.04 0.00 0.82 0.00 0.00 66.70 64.74 1fdh h VAL 121 Cb 0.88 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.25 1fdh h VAL 121 CO 0.07 0.76 0.54 -0.74 0.02 0.00 0.00 177.57 178.21 1fdh h HIS 122 N 0.04 1.01 -0.48 1.57 6.17 0.49 -0.56 115.15 123.38 1fdh h HIS 122 Ca -0.24 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 60.80 1fdh h HIS 122 Cb 1.98 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 31.56 1fdh h HIS 122 CO 0.04 0.57 0.04 0.00 0.71 0.00 0.00 177.93 179.29 1fdh h ALA 123 N 1.36 0.65 0.00 5.26 0.00 -1.34 -2.07 119.26 123.11 1fdh h ALA 123 Ca 0.34 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1fdh h ALA 123 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fdh h ALA 123 CO -0.12 0.41 -0.45 0.77 0.00 0.00 0.00 179.25 179.86 1fdh h SER 124 N 0.69 0.00 -0.07 0.00 0.02 -1.21 -1.34 113.55 111.64 1fdh h SER 124 Ca 0.14 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 1fdh h SER 124 Cb 0.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1fdh h SER 124 CO 0.02 0.45 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.28 1fdh h LEU 125 N 0.00 0.82 0.09 5.07 3.38 -1.01 0.28 115.31 123.94 1fdh h LEU 125 Ca -0.00 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1fdh h LEU 125 Cb 0.81 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fdh h LEU 125 CO 0.06 1.39 -0.04 -0.78 0.09 0.00 0.00 178.44 179.16 1fdh h ASP 126 N 0.32 -0.10 -1.00 -0.43 3.58 -1.30 0.17 116.42 117.66 1fdh h ASP 126 Ca -0.08 -0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.42 1fdh h ASP 126 Cb 1.45 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 42.44 1fdh h ASP 126 CO 0.16 0.04 0.62 0.50 -2.88 0.00 0.00 179.24 177.68 1fdh h LYS 127 N -0.24 0.87 -0.20 0.28 3.64 -1.16 -1.29 116.57 118.47 1fdh h LYS 127 Ca -0.01 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1fdh h LYS 127 Cb 0.20 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fdh h LYS 127 CO 0.02 0.57 -0.16 0.35 -2.27 0.00 0.00 179.45 177.97 1fdh h PHE 128 N 0.89 0.54 0.00 1.91 3.57 0.15 -2.83 116.94 121.17 1fdh h PHE 128 Ca 0.53 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 1fdh h PHE 128 Cb 0.66 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1fdh h PHE 128 CO -0.01 0.79 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.65 1fdh h LEU 129 N 0.13 0.00 -0.30 0.59 3.38 -0.44 -1.44 115.31 117.23 1fdh h LEU 129 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1fdh h LEU 129 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1fdh h LEU 129 CO 0.04 0.15 -0.72 0.00 0.09 0.00 0.00 178.44 178.00 1fdh h ALA 130 N 1.85 0.65 -0.09 1.53 0.00 -1.19 -1.37 119.26 120.64 1fdh h ALA 130 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 1fdh h ALA 130 Cb 0.38 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1fdh h ALA 130 CO 0.02 0.90 -0.75 0.77 0.00 0.00 0.00 179.25 180.19 1fdh h SER 131 N 0.00 0.81 -0.29 0.00 0.02 -1.05 -1.93 113.55 111.12 1fdh h SER 131 Ca -0.01 -0.67 -0.04 0.00 -0.84 0.00 0.00 61.79 60.23 1fdh h SER 131 Cb 1.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1fdh h SER 131 CO 0.09 1.36 0.04 0.58 -1.14 0.00 0.00 176.83 177.76 1fdh h VAL 132 N 0.33 1.24 -0.91 2.27 2.07 -1.28 -1.85 116.25 118.12 1fdh h VAL 132 Ca -0.07 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1fdh h VAL 132 Cb 1.40 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 1fdh h VAL 132 CO 0.15 0.27 0.59 0.28 0.02 0.00 0.00 177.57 178.88 1fdh h SER 133 N 0.31 0.89 0.24 0.57 0.02 -1.24 -1.53 113.55 112.81 1fdh h SER 133 Ca 0.09 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1fdh h SER 133 Cb 0.37 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1fdh h SER 133 CO 0.01 0.56 -0.56 0.74 -1.14 0.00 0.00 176.83 176.44 1fdh h THR 134 N 1.01 1.36 -0.22 -2.27 2.02 -0.97 -1.46 112.91 112.38 1fdh h THR 134 Ca 0.40 -1.86 -0.16 0.00 0.77 0.00 0.00 66.41 65.56 1fdh h THR 134 Cb 0.24 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1fdh h THR 134 CO -0.15 0.56 -0.49 0.58 0.37 0.00 0.00 175.52 176.39 1fdh h VAL 135 N 0.25 1.31 0.00 3.16 2.07 -0.87 -1.45 116.25 120.72 1fdh h VAL 135 Ca 0.00 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1fdh h VAL 135 Cb 1.06 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1fdh h VAL 135 CO 0.09 0.54 -0.20 -0.07 0.02 0.00 0.00 177.57 177.95 1fdh h LEU 136 N 0.43 0.00 0.00 2.57 3.38 -1.25 -2.62 115.31 117.82 1fdh h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fdh h LEU 136 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1fdh h LEU 136 CO 0.11 0.20 -0.69 0.41 0.09 0.00 0.00 178.44 178.55 1fdh n THR 137 N -3.42 0.12 -0.34 0.22 -1.04 -0.55 -4.56 114.28 104.70 1fdh n THR 137 Ca -0.00 -0.12 0.21 0.00 -2.04 0.00 0.00 64.05 62.10 1fdh n THR 137 Cb 0.39 0.21 0.46 0.00 -1.82 0.00 0.00 70.33 69.57 1fdh n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1fdh h SER 138 N 0.00 0.54 -0.55 8.00 0.02 -0.86 -3.12 113.55 117.59 1fdh h SER 138 Ca 0.00 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 1fdh h SER 138 Cb 0.61 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 1fdh h SER 138 CO 0.00 0.07 0.11 0.29 -1.14 0.00 0.00 176.83 176.16 1fdh n LYS 139 N -4.77 3.61 -0.26 3.45 5.02 -1.26 -4.66 118.16 119.29 1fdh n LYS 139 Ca 0.27 -3.06 -0.06 0.00 -2.02 0.00 0.00 58.31 53.44 1fdh n LYS 139 Cb 0.86 -2.10 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 1fdh n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1fdh h TYR 140 N 2.59 1.18 0.00 2.13 0.99 -1.86 -3.47 116.97 118.53 1fdh h TYR 140 Ca 0.14 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1fdh h TYR 140 Cb 1.98 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 39.37 1fdh h TYR 140 CO 1.03 0.93 0.00 2.89 -0.00 0.00 0.00 178.16 183.01