#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdk h LEU 2 N 0.00 0.61 -1.00 0.00 7.12 -0.96 -1.14 115.31 119.94 1fdk h LEU 2 Ca 0.00 0.09 -0.09 0.00 0.13 0.00 0.00 57.88 58.01 1fdk h LEU 2 Cb 0.00 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1fdk h LEU 2 CO 0.00 0.19 -0.24 -0.50 -0.13 0.00 0.00 178.44 177.76 1fdk h TRP 3 N 0.58 0.48 -0.01 1.25 4.06 -1.99 -0.47 115.95 119.85 1fdk h TRP 3 Ca 0.57 -0.10 -0.22 0.00 2.06 0.00 0.00 58.89 61.20 1fdk h TRP 3 Cb 1.15 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1fdk h TRP 3 CO -0.00 0.64 -0.91 1.96 -3.56 0.00 0.00 178.44 176.57 1fdk h GLN 4 N 0.39 0.42 -0.54 0.49 7.50 -1.61 -2.24 115.11 119.51 1fdk h GLN 4 Ca 0.06 -0.43 -0.10 0.00 0.50 0.00 0.00 58.65 58.68 1fdk h GLN 4 Cb 0.63 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.26 1fdk h GLN 4 CO 0.05 1.09 -0.03 0.35 -1.50 0.00 0.00 178.83 178.79 1fdk h PHE 5 N 0.24 1.08 -0.44 2.96 3.57 -1.24 0.12 116.94 123.23 1fdk h PHE 5 Ca -0.07 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1fdk h PHE 5 Cb 1.54 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1fdk h PHE 5 CO 0.06 0.99 0.29 -0.97 -2.23 0.00 0.00 178.31 176.45 1fdk h ASN 6 N 0.86 0.51 0.16 0.41 -1.24 -1.07 -2.29 115.58 112.92 1fdk h ASN 6 Ca 0.15 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 1fdk h ASN 6 Cb 0.58 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1fdk h ASN 6 CO 0.03 0.37 -0.26 1.23 -1.29 0.00 0.00 177.43 177.52 1fdk h GLY 7 N 0.60 0.20 0.94 1.57 0.00 -0.98 -2.76 103.07 102.64 1fdk h GLY 7 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1fdk h GLY 7 CO -0.03 0.13 0.06 -0.33 0.00 0.00 0.00 176.54 176.37 1fdk h MET 8 N 0.16 0.68 -0.46 4.80 2.86 -0.24 -2.19 114.93 120.54 1fdk h MET 8 Ca 0.03 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1fdk h MET 8 Cb 0.56 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1fdk h MET 8 CO 0.04 0.73 -0.01 0.82 1.06 0.00 0.00 176.91 179.55 1fdk h ILE 9 N 0.53 1.24 0.00 -1.22 2.04 -1.23 -2.23 117.51 116.64 1fdk h ILE 9 Ca 0.12 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1fdk h ILE 9 Cb 0.38 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1fdk h ILE 9 CO 0.01 0.35 -0.41 0.11 0.00 0.00 0.00 178.15 178.21 1fdk h LYS 10 N 0.72 0.00 -0.51 2.37 1.57 -1.45 0.90 116.57 120.18 1fdk h LYS 10 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1fdk h LYS 10 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1fdk h LYS 10 CO 0.02 0.41 0.14 0.00 -0.57 0.00 0.00 179.45 179.45 1fdk h LYS 12 N 0.69 0.35 -2.94 0.00 1.79 -0.99 -3.40 116.57 112.06 1fdk h LYS 12 Ca 0.16 -0.59 -0.61 0.00 -2.18 0.00 0.00 60.65 57.43 1fdk h LYS 12 Cb 0.30 0.22 -0.41 0.00 -1.58 0.00 0.00 32.23 30.76 1fdk h LYS 12 CO -0.00 1.27 -0.69 0.42 -1.08 0.00 0.00 179.45 179.36 1fdk s ILE 13 N -2.63 2.10 0.59 1.86 1.01 0.31 -4.97 121.20 119.46 1fdk s ILE 13 Ca -0.07 -3.60 0.29 0.00 0.00 0.00 0.00 60.65 57.27 1fdk s ILE 13 Cb 0.06 -2.40 0.36 0.00 0.01 0.00 0.00 42.46 40.49 1fdk s ILE 13 CO 0.89 -1.02 2.08 -0.65 0.00 0.00 0.00 174.94 176.24 1fdk h PRO 14 N 5.73 0.00 -0.00 2.79 0.11 -1.52 -2.09 132.00 137.01 1fdk h PRO 14 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1fdk h PRO 14 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1fdk h PRO 14 CO 0.61 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.18 1fdk n SER 15 N -3.80 0.57 -4.82 -2.05 3.41 -1.26 -4.93 113.62 100.74 1fdk n SER 15 Ca 0.02 -0.76 -0.25 0.00 -0.26 0.00 0.00 58.87 57.62 1fdk n SER 15 Cb 0.36 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1fdk n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fdk s SER 16 N -2.35 5.62 -0.73 4.04 1.04 -0.79 -5.05 113.70 115.47 1fdk s SER 16 Ca 0.32 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 1fdk s SER 16 Cb 0.20 -1.49 0.19 0.00 0.10 0.00 0.00 66.02 65.02 1fdk s SER 16 CO 0.44 0.05 0.58 -1.61 0.98 0.00 0.00 173.24 173.68 1fdk s GLU 17 N -3.26 2.86 0.28 4.02 0.41 -1.26 -4.81 118.70 116.93 1fdk s GLU 17 Ca 0.32 -2.84 -0.01 0.00 -0.41 0.00 0.00 54.97 52.02 1fdk s GLU 17 Cb -0.10 -3.82 0.62 0.00 -1.78 0.00 0.00 34.13 29.05 1fdk s GLU 17 CO 0.24 -1.22 1.62 -1.35 -0.49 0.00 0.00 175.26 174.07 1fdk h PRO 18 N 6.60 0.11 0.00 0.39 0.11 -1.94 0.36 132.00 137.64 1fdk h PRO 18 Ca 0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1fdk h PRO 18 Cb 0.90 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1fdk h PRO 18 CO 0.76 0.07 -0.05 1.25 -0.21 0.00 0.00 178.00 179.83 1fdk h LEU 19 N 0.12 0.00 0.04 2.35 7.12 -1.95 0.33 115.31 123.32 1fdk h LEU 19 Ca 0.51 0.00 -0.36 0.00 0.13 0.00 0.00 57.88 58.17 1fdk h LEU 19 Cb 1.00 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.09 1fdk h LEU 19 CO -0.73 0.05 -2.02 0.18 -0.13 0.00 0.00 178.44 175.78 1fdk n LEU 20 N -3.60 2.36 0.02 2.25 4.32 0.84 -3.92 117.00 119.27 1fdk n LEU 20 Ca -0.02 0.22 -0.14 0.00 -0.02 0.00 0.00 56.01 56.04 1fdk n LEU 20 Cb 0.15 -0.97 -0.04 0.00 -1.62 0.00 0.00 43.42 40.95 1fdk n LEU 20 CO 0.27 0.66 0.27 0.44 -1.22 0.00 0.00 177.39 177.81 1fdk h ASP 21 N -0.46 0.73 0.00 -1.43 3.32 -0.21 -3.38 116.42 115.00 1fdk h ASP 21 Ca -0.50 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.05 1fdk h ASP 21 Cb 1.72 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1fdk h ASP 21 CO -0.14 1.28 -0.92 0.49 -1.72 0.00 0.00 179.24 178.23 1fdk n PHE 22 N -3.87 0.00 -2.78 4.55 3.72 0.11 -4.88 117.46 114.31 1fdk n PHE 22 Ca -0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.98 1fdk n PHE 22 Cb 0.76 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 39.15 1fdk n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1fdk s ASN 23 N -2.70 7.19 -0.95 4.37 2.47 -1.20 -3.69 114.94 120.43 1fdk s ASN 23 Ca 0.03 1.81 -0.04 0.00 0.42 0.00 0.00 52.86 55.08 1fdk s ASN 23 Cb 0.11 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1fdk s ASN 23 CO 0.61 -0.17 0.50 0.59 -3.72 0.00 0.00 177.10 174.91 1fdk n ASN 24 N 0.19 -4.57 -4.32 -4.21 3.02 -0.76 -4.76 115.26 99.85 1fdk n ASN 24 Ca 0.04 -0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.03 1fdk n ASN 24 Cb 0.51 -3.35 -0.15 0.00 -0.61 0.00 0.00 39.78 36.18 1fdk n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1fdk s TYR 25 N -3.02 2.71 0.00 3.10 6.14 -0.89 0.23 117.35 125.62 1fdk s TYR 25 Ca 0.25 -0.77 0.00 0.00 0.64 0.00 0.00 57.07 57.19 1fdk s TYR 25 Cb -0.11 -1.78 0.00 0.00 0.42 0.00 0.00 41.96 40.49 1fdk s TYR 25 CO 0.31 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.64 1fdk n GLY 26 N 3.45 0.98 0.15 8.97 0.00 -0.19 -2.07 105.19 116.49 1fdk n GLY 26 Ca -0.18 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1fdk n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdk n TYR 28 N -1.01 0.00 -2.41 0.00 4.02 -1.24 -2.81 117.16 113.71 1fdk n TYR 28 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 1fdk n TYR 28 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1fdk n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fdk n GLY 30 N 4.82 1.61 3.73 0.00 0.00 -1.26 -1.83 105.19 112.25 1fdk n GLY 30 Ca 0.15 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1fdk n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fdk s LEU 31 N 0.00 4.37 0.00 0.99 2.96 -1.26 -4.68 118.68 121.05 1fdk s LEU 31 Ca 0.00 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1fdk s LEU 31 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1fdk s LEU 31 CO 0.00 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 1fdk n GLY 32 N 3.22 -1.76 0.00 7.98 0.00 -1.26 -5.06 105.19 108.31 1fdk n GLY 32 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1fdk n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdk n GLY 33 N 0.00 3.47 3.27 -0.02 0.00 -1.26 -4.74 105.19 105.91 1fdk n GLY 33 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1fdk n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fdk s SER 34 N 0.00 0.10 0.00 1.61 1.04 -1.12 -4.98 113.70 110.34 1fdk s SER 34 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1fdk s SER 34 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1fdk s SER 34 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1fdk n GLY 35 N -0.15 -1.78 3.69 7.32 0.00 -1.26 -4.76 105.19 108.25 1fdk n GLY 35 Ca -0.10 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1fdk n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fdk s THR 36 N 0.00 5.21 0.34 2.61 2.01 -1.26 -5.04 115.64 119.52 1fdk s THR 36 Ca 0.00 0.76 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 1fdk s THR 36 Cb 0.00 -3.74 -0.12 0.00 0.01 0.00 0.00 72.50 68.64 1fdk s THR 36 CO 0.00 0.29 1.24 -2.65 -0.69 0.00 0.00 174.62 172.81 1fdk n PRO 37 N 4.13 1.99 0.16 4.92 -0.02 -1.26 -4.83 135.00 140.10 1fdk n PRO 37 Ca -0.08 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 1fdk n PRO 37 Cb 0.51 -2.26 0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1fdk n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1fdk h VAL 38 N 2.42 0.47 -2.57 -1.45 -1.51 -1.96 -3.47 116.25 108.18 1fdk h VAL 38 Ca -0.45 -1.68 -0.04 0.00 -1.23 0.00 0.00 66.70 63.30 1fdk h VAL 38 Cb 1.29 2.20 -0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1fdk h VAL 38 CO 0.62 0.27 0.09 -0.90 -1.23 0.00 0.00 177.57 176.41 1fdk n ASP 39 N -3.14 -0.98 -0.28 4.19 5.68 -1.26 -5.02 116.55 115.74 1fdk n ASP 39 Ca 0.02 -1.78 -0.06 0.00 -0.50 0.00 0.00 54.79 52.47 1fdk n ASP 39 Cb 0.65 1.67 0.06 0.00 -1.14 0.00 0.00 41.12 42.36 1fdk n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1fdk h ASP 40 N 0.93 1.08 -0.65 -1.12 3.32 -1.93 0.14 116.42 118.18 1fdk h ASP 40 Ca -0.15 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 1fdk h ASP 40 Cb 0.58 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1fdk h ASP 40 CO 0.19 0.97 0.12 0.25 -1.72 0.00 0.00 179.24 179.06 1fdk h LEU 41 N 1.12 1.03 -1.30 1.55 6.46 -1.93 -0.54 115.31 121.71 1fdk h LEU 41 Ca 0.25 -0.23 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1fdk h LEU 41 Cb 0.24 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1fdk h LEU 41 CO -0.02 1.01 -0.24 -0.78 -0.62 0.00 0.00 178.44 177.80 1fdk h ASP 42 N 1.02 0.17 -0.48 1.25 3.58 -1.81 -1.78 116.42 118.37 1fdk h ASP 42 Ca 0.21 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1fdk h ASP 42 Cb 0.41 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1fdk h ASP 42 CO 0.01 0.41 -0.22 -0.09 -2.88 0.00 0.00 179.24 176.47 1fdk h ARG 43 N 0.16 0.99 -0.62 0.28 2.43 0.35 -1.65 114.38 116.32 1fdk h ARG 43 Ca 0.03 -0.43 0.11 0.00 -0.81 0.00 0.00 59.98 58.88 1fdk h ARG 43 Cb 0.51 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.95 1fdk h ARG 43 CO 0.04 1.10 0.19 0.00 -1.51 0.00 0.00 179.97 179.79 1fdk h GLN 46 N 0.97 0.57 -0.52 0.00 4.15 -0.31 -0.59 115.11 119.39 1fdk h GLN 46 Ca 0.21 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1fdk h GLN 46 Cb 0.32 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1fdk h GLN 46 CO -0.00 0.58 0.32 1.15 -1.93 0.00 0.00 178.83 178.95 1fdk h THR 47 N 0.45 1.15 -0.83 2.39 2.02 -1.15 -1.31 112.91 115.63 1fdk h THR 47 Ca 0.12 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1fdk h THR 47 Cb 0.23 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1fdk h THR 47 CO -0.01 0.15 0.55 -0.74 0.37 0.00 0.00 175.52 175.85 1fdk h HIS 48 N 0.70 1.05 -0.48 3.16 -0.00 -1.16 0.10 115.15 118.51 1fdk h HIS 48 Ca 0.19 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1fdk h HIS 48 Cb -0.03 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.00 1fdk h HIS 48 CO -0.03 0.66 -0.01 -0.44 -0.00 0.00 0.00 177.93 178.11 1fdk h ASP 49 N 1.13 0.78 0.28 3.26 5.19 -0.70 -1.67 116.42 124.69 1fdk h ASP 49 Ca 0.31 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1fdk h ASP 49 Cb -0.13 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.16 1fdk h ASP 49 CO -0.07 0.85 -0.51 0.78 -3.12 0.00 0.00 179.24 177.17 1fdk h ASN 50 N 0.75 0.29 -0.15 6.45 2.35 -0.57 -2.33 115.58 122.37 1fdk h ASN 50 Ca 0.14 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1fdk h ASN 50 Cb 0.47 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1fdk h ASN 50 CO 0.02 0.75 0.05 0.00 -1.65 0.00 0.00 177.43 176.61 1fdk h TYR 52 N 0.08 1.13 -0.72 0.00 -1.99 -1.26 0.36 116.97 114.57 1fdk h TYR 52 Ca 0.05 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1fdk h TYR 52 Cb 0.19 -0.35 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 1fdk h TYR 52 CO -0.01 0.82 0.47 0.87 -0.00 0.00 0.00 178.16 180.31 1fdk h LYS 53 N 1.11 0.95 0.13 4.88 1.57 -1.27 -0.55 116.57 123.38 1fdk h LYS 53 Ca 0.27 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1fdk h LYS 53 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1fdk h LYS 53 CO -0.03 0.63 -0.10 0.37 -0.57 0.00 0.00 179.45 179.75 1fdk h GLN 54 N 0.97 -0.22 -0.80 3.15 5.75 -0.57 -2.99 115.11 120.40 1fdk h GLN 54 Ca 0.26 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.91 1fdk h GLN 54 Cb -0.10 0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.41 1fdk h GLN 54 CO -0.06 -0.15 0.39 0.00 -2.65 0.00 0.00 178.83 176.36 1fdk h ALA 55 N 0.63 1.17 0.00 3.38 0.00 -0.24 -1.83 119.26 122.37 1fdk h ALA 55 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1fdk h ALA 55 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1fdk h ALA 55 CO -0.01 -0.11 -0.23 0.87 0.00 0.00 0.00 179.25 179.77 1fdk h LYS 56 N 0.57 0.00 0.00 0.00 1.57 -0.98 -1.02 116.57 116.71 1fdk h LYS 56 Ca 0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.16 1fdk h LYS 56 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1fdk h LYS 56 CO -0.36 0.23 -0.26 0.87 -0.57 0.00 0.00 179.45 179.37 1fdk h LYS 57 N 0.00 0.00 -6.54 3.15 1.57 -1.25 -3.39 116.57 110.10 1fdk h LYS 57 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1fdk h LYS 57 Cb 0.47 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.82 1fdk h LYS 57 CO 0.03 0.26 1.02 -0.51 -0.57 0.00 0.00 179.45 179.68 1fdk s LEU 58 N -7.31 4.38 0.27 2.94 1.02 -0.39 -4.90 118.68 114.69 1fdk s LEU 58 Ca -0.01 2.68 0.00 0.00 0.02 0.00 0.00 54.13 56.82 1fdk s LEU 58 Cb 0.12 -3.58 0.58 0.00 0.02 0.00 0.00 46.19 43.33 1fdk s LEU 58 CO 0.65 -0.94 1.75 0.44 0.02 0.00 0.00 176.35 178.28 1fdk h ASP 59 N 7.85 0.53 0.57 2.29 3.32 -1.86 0.17 116.42 129.29 1fdk h ASP 59 Ca -0.44 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1fdk h ASP 59 Cb 1.21 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1fdk h ASP 59 CO 0.94 0.20 -0.06 0.28 -1.72 0.00 0.00 179.24 178.88 1fdk h SER 60 N 0.61 0.00 0.22 6.45 0.02 -1.92 -3.09 113.55 115.83 1fdk h SER 60 Ca 0.49 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.09 1fdk h SER 60 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1fdk h SER 60 CO -0.39 0.06 -1.85 0.00 -1.14 0.00 0.00 176.83 173.51 1fdk h LYS 62 N 0.08 0.00 0.00 0.00 1.57 -1.25 -1.66 116.57 115.31 1fdk h LYS 62 Ca -0.37 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.28 1fdk h LYS 62 Cb 2.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.34 1fdk h LYS 62 CO 0.12 0.01 -0.74 0.28 -0.57 0.00 0.00 179.45 178.56 1fdk h VAL 63 N 0.00 0.93 -4.27 0.50 2.07 -1.70 -3.47 116.25 110.32 1fdk h VAL 63 Ca -0.00 -2.37 -0.50 0.00 0.82 0.00 0.00 66.70 64.65 1fdk h VAL 63 Cb 0.15 2.43 0.08 0.00 -1.52 0.00 0.00 31.29 32.42 1fdk h VAL 63 CO 0.00 0.53 0.37 -0.76 0.02 0.00 0.00 177.57 177.74 1fdk s LEU 64 N -6.38 3.33 0.07 2.57 1.43 -0.63 -4.98 118.68 114.08 1fdk s LEU 64 Ca 0.02 1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 54.72 1fdk s LEU 64 Cb 0.08 -4.51 -0.28 0.00 0.03 0.00 0.00 46.19 41.51 1fdk s LEU 64 CO 0.77 -1.25 1.11 0.58 0.23 0.00 0.00 176.35 177.79 1fdk h VAL 65 N -0.09 1.38 -2.95 -1.59 2.07 -1.90 -3.47 116.25 109.71 1fdk h VAL 65 Ca -0.45 -2.76 -0.63 0.00 0.82 0.00 0.00 66.70 63.69 1fdk h VAL 65 Cb 1.21 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.79 1fdk h VAL 65 CO 0.57 0.82 -0.52 1.51 0.02 0.00 0.00 177.57 179.98 1fdk s ASP 66 N -7.33 6.21 0.95 0.57 1.47 -1.26 -5.13 116.67 112.16 1fdk s ASP 66 Ca -0.07 0.23 -0.15 0.00 1.18 0.00 0.00 52.55 53.74 1fdk s ASP 66 Cb 0.06 -1.88 0.20 0.00 -0.34 0.00 0.00 42.92 40.96 1fdk s ASP 66 CO 0.91 0.18 1.31 0.54 0.68 0.00 0.00 175.17 178.79 1fdk s ASN 67 N -2.42 3.14 0.65 2.11 4.22 -1.26 -4.73 114.94 116.65 1fdk s ASN 67 Ca 0.33 0.20 0.34 0.00 -2.14 0.00 0.00 52.86 51.60 1fdk s ASN 67 Cb -0.13 -0.25 1.88 0.00 1.28 0.00 0.00 41.25 44.04 1fdk s ASN 67 CO 0.26 -2.71 2.09 -0.65 -2.04 0.00 0.00 177.10 174.04 1fdk h PRO 68 N -1.60 0.00 0.00 3.55 0.11 -1.94 -2.44 132.00 129.69 1fdk h PRO 68 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 1fdk h PRO 68 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1fdk h PRO 68 CO 0.37 0.00 -0.56 1.88 -0.21 0.00 0.00 178.00 179.48 1fdk h TYR 69 N 0.00 0.00 0.00 0.65 0.05 -1.94 -3.34 116.97 112.38 1fdk h TYR 69 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1fdk h TYR 69 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1fdk h TYR 69 CO 0.00 0.56 -0.00 -2.37 -1.05 0.00 0.00 178.16 175.30 1fdk n THR 70 N -3.25 0.98 -2.77 -2.88 5.66 -1.10 -0.41 114.28 110.52 1fdk n THR 70 Ca 0.02 -1.01 -0.42 0.00 -3.05 0.00 0.00 64.05 59.58 1fdk n THR 70 Cb 0.76 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.98 1fdk n THR 70 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1fdk s ASN 71 N -1.07 6.19 0.28 1.09 3.84 -0.94 -4.78 114.94 119.56 1fdk s ASN 71 Ca 0.02 -0.88 -0.29 0.00 0.21 0.00 0.00 52.86 51.92 1fdk s ASN 71 Cb 0.02 -2.46 -0.10 0.00 -0.55 0.00 0.00 41.25 38.16 1fdk s ASN 71 CO 0.00 -1.54 1.29 0.20 -2.79 0.00 0.00 177.10 174.26 1fdk s ASN 72 N 3.72 6.86 0.39 -4.21 0.01 -1.26 0.20 114.94 120.65 1fdk s ASN 72 Ca 0.26 2.55 0.05 0.00 -0.71 0.00 0.00 52.86 55.02 1fdk s ASN 72 Cb -0.14 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.87 1fdk s ASN 72 CO 0.10 -0.49 0.17 -0.72 -1.51 0.00 0.00 177.10 174.66 1fdk s TYR 73 N -0.71 1.76 -0.07 2.20 -0.85 -1.26 -4.74 117.35 113.69 1fdk s TYR 73 Ca 0.51 -1.41 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 1fdk s TYR 73 Cb -0.38 -1.02 -0.01 0.00 0.38 0.00 0.00 41.96 40.93 1fdk s TYR 73 CO 0.47 -0.48 -0.21 0.45 -1.52 0.00 0.00 175.55 174.25 1fdk s SER 74 N -3.54 3.39 0.24 -0.18 0.15 -1.26 -4.86 113.70 107.64 1fdk s SER 74 Ca 0.28 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.31 1fdk s SER 74 Cb 0.02 -0.94 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 1fdk s SER 74 CO 0.18 0.25 0.63 -0.72 1.20 0.00 0.00 173.24 174.79 1fdk s TYR 75 N -0.21 -0.14 0.08 3.44 1.13 -1.26 -1.20 117.35 119.20 1fdk s TYR 75 Ca -0.02 -0.25 0.02 0.00 -1.41 0.00 0.00 57.07 55.41 1fdk s TYR 75 Cb -0.13 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 1fdk s TYR 75 CO 0.03 -1.10 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.37 1fdk s SER 76 N -2.90 1.06 -0.10 -0.18 1.04 -0.57 -4.91 113.70 107.14 1fdk s SER 76 Ca 0.11 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1fdk s SER 76 Cb -0.04 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1fdk s SER 76 CO 0.03 -0.40 -0.15 0.00 0.98 0.00 0.00 173.24 173.70 1fdk s SER 78 N 0.89 -0.15 -1.46 0.00 1.04 -0.74 -4.88 113.70 108.40 1fdk s SER 78 Ca -0.09 0.58 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 1fdk s SER 78 Cb -0.15 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1fdk s SER 78 CO 0.00 -0.18 0.86 0.59 0.98 0.00 0.00 173.24 175.48 1fdk n ASN 79 N 4.49 -5.65 -1.42 7.02 3.02 -1.26 -1.64 115.26 119.82 1fdk n ASN 79 Ca -0.21 -0.48 -0.17 0.00 -0.03 0.00 0.00 54.58 53.69 1fdk n ASN 79 Cb 0.52 -4.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.11 1fdk n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fdk n ASN 80 N -2.72 -5.05 -4.43 6.41 4.13 -1.26 -5.00 115.26 107.34 1fdk n ASN 80 Ca -0.03 0.35 -0.32 0.00 1.68 0.00 0.00 54.58 56.26 1fdk n ASN 80 Cb 0.57 -4.07 -0.14 0.00 -1.54 0.00 0.00 39.78 34.60 1fdk n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1fdk s GLU 81 N -3.68 2.43 -0.13 3.52 2.02 -0.65 -4.55 118.70 117.65 1fdk s GLU 81 Ca 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.17 1fdk s GLU 81 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1fdk s GLU 81 CO 0.00 0.59 0.08 0.42 0.02 0.00 0.00 175.26 176.37 1fdk s ILE 82 N -0.66 5.00 -0.12 -1.63 1.01 -1.26 -1.80 121.20 121.74 1fdk s ILE 82 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1fdk s ILE 82 Cb -0.11 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.22 1fdk s ILE 82 CO 0.00 0.57 -0.02 -0.89 0.00 0.00 0.00 174.94 174.60 1fdk s THR 83 N -0.61 0.71 0.01 2.92 2.01 -0.82 -5.00 115.64 114.87 1fdk s THR 83 Ca 0.12 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1fdk s THR 83 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1fdk s THR 83 CO 0.02 0.17 1.04 0.00 -0.69 0.00 0.00 174.62 175.17 1fdk s SER 85 N 1.04 6.12 0.00 0.00 0.15 -0.34 -4.92 113.70 115.75 1fdk s SER 85 Ca 0.54 2.42 0.28 0.00 0.70 0.00 0.00 55.95 59.89 1fdk s SER 85 Cb -0.23 -2.61 1.48 0.00 -1.71 0.00 0.00 66.02 62.95 1fdk s SER 85 CO 0.28 -0.96 1.99 -1.54 1.20 0.00 0.00 173.24 174.21 1fdk n SER 86 N -0.40 0.00 0.21 5.45 3.41 -1.26 -2.94 113.62 118.10 1fdk n SER 86 Ca 0.07 -0.27 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1fdk n SER 86 Cb 0.47 -0.23 0.30 0.00 -0.26 0.00 0.00 64.21 64.49 1fdk n SER 86 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1fdk h GLU 87 N 0.00 0.00 -6.93 4.33 4.81 -1.93 -3.46 114.58 111.40 1fdk h GLU 87 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1fdk h GLU 87 Cb 0.21 0.00 0.09 0.00 0.63 0.00 0.00 28.75 29.68 1fdk h GLU 87 CO 0.00 0.00 0.68 -0.80 -0.73 0.00 0.00 179.01 178.16 1fdk s ASN 88 N -5.85 6.41 0.68 1.04 0.02 -1.15 -5.02 114.94 111.07 1fdk s ASN 88 Ca 0.06 2.82 -0.08 0.00 -1.02 0.00 0.00 52.86 54.64 1fdk s ASN 88 Cb 0.07 -2.65 0.04 0.00 0.02 0.00 0.00 41.25 38.73 1fdk s ASN 88 CO 0.63 -0.80 1.01 0.20 0.02 0.00 0.00 177.10 178.17 1fdk s ASN 89 N -0.45 5.09 0.11 -1.22 0.02 -1.26 -4.63 114.94 112.60 1fdk s ASN 89 Ca 0.54 0.66 -0.21 0.00 -1.02 0.00 0.00 52.86 52.83 1fdk s ASN 89 Cb -0.42 -1.42 -0.05 0.00 0.02 0.00 0.00 41.25 39.39 1fdk s ASN 89 CO 0.55 -1.44 1.13 0.00 0.02 0.00 0.00 177.10 177.36 1fdk n ALA 90 N -2.88 -0.43 0.15 0.60 0.00 -1.26 -0.27 120.51 116.42 1fdk n ALA 90 Ca 0.07 0.57 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1fdk n ALA 90 Cb 0.59 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1fdk n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdk h GLU 92 N -0.38 1.01 -0.35 0.00 5.08 -1.73 -0.87 114.58 117.35 1fdk h GLU 92 Ca -0.01 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1fdk h GLU 92 Cb 0.33 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1fdk h GLU 92 CO -0.01 0.67 -0.11 0.00 -1.00 0.00 0.00 179.01 178.56 1fdk h ALA 93 N 1.50 1.16 -0.14 3.43 0.00 -0.42 -1.21 119.26 123.59 1fdk h ALA 93 Ca 0.42 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1fdk h ALA 93 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fdk h ALA 93 CO -0.17 0.53 -0.08 0.35 0.00 0.00 0.00 179.25 179.88 1fdk h PHE 94 N 0.55 0.36 -0.57 0.00 3.04 -0.44 -2.31 116.94 117.57 1fdk h PHE 94 Ca 0.10 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1fdk h PHE 94 Cb 0.52 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1fdk h PHE 94 CO 0.02 0.65 0.25 0.82 -2.02 0.00 0.00 178.31 178.03 1fdk h ILE 95 N -0.04 1.22 -0.79 1.41 2.04 -1.19 -1.32 117.51 118.84 1fdk h ILE 95 Ca 0.03 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1fdk h ILE 95 Cb 0.56 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1fdk h ILE 95 CO 0.02 0.25 0.47 0.00 0.00 0.00 0.00 178.15 178.90 1fdk h ASN 97 N 0.87 0.53 -0.22 0.00 -1.24 -1.03 0.22 115.58 114.71 1fdk h ASN 97 Ca 0.35 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 57.17 1fdk h ASN 97 Cb 0.17 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1fdk h ASN 97 CO -0.17 0.61 0.03 0.00 -1.29 0.00 0.00 177.43 176.60 1fdk h ASP 99 N 0.11 0.89 -0.39 0.00 3.32 -0.06 -2.63 116.42 117.66 1fdk h ASP 99 Ca 0.10 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1fdk h ASP 99 Cb 0.11 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1fdk h ASP 99 CO -0.15 0.91 0.18 -0.09 -1.72 0.00 0.00 179.24 178.38 1fdk h ARG 100 N 0.84 0.57 -0.94 3.56 2.43 -0.29 -1.37 114.38 119.18 1fdk h ARG 100 Ca 0.18 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1fdk h ARG 100 Cb 0.38 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1fdk h ARG 100 CO 0.01 0.51 0.56 -0.91 -1.51 0.00 0.00 179.97 178.62 1fdk h ASN 101 N 0.49 1.14 -0.55 -3.80 2.35 -1.13 -2.24 115.58 111.85 1fdk h ASN 101 Ca 0.13 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1fdk h ASN 101 Cb 0.13 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1fdk h ASN 101 CO -0.02 0.88 -0.05 0.00 -1.65 0.00 0.00 177.43 176.60 1fdk h ALA 102 N 1.31 0.74 -0.69 -0.83 0.00 -1.23 -1.52 119.26 117.04 1fdk h ALA 102 Ca 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fdk h ALA 102 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1fdk h ALA 102 CO -0.06 0.62 0.39 0.00 0.00 0.00 0.00 179.25 180.19 1fdk h ALA 103 N 0.94 0.89 -0.24 0.00 0.00 -0.91 0.62 119.26 120.55 1fdk h ALA 103 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1fdk h ALA 103 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1fdk h ALA 103 CO 0.04 0.39 0.07 0.82 0.00 0.00 0.00 179.25 180.57 1fdk h ILE 104 N 0.95 1.21 -0.32 0.00 2.04 -1.33 -2.44 117.51 117.60 1fdk h ILE 104 Ca 0.25 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1fdk h ILE 104 Cb 0.02 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1fdk h ILE 104 CO -0.04 0.21 0.08 0.00 0.00 0.00 0.00 178.15 178.41 1fdk h PHE 106 N 0.21 0.08 0.00 0.00 -1.00 -0.76 -1.15 116.94 114.32 1fdk h PHE 106 Ca 0.15 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1fdk h PHE 106 Cb 0.15 0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1fdk h PHE 106 CO -0.16 -0.04 0.00 -1.13 -1.61 0.00 0.00 178.31 175.37 1fdk n SER 107 N -5.15 0.00 -0.41 2.17 3.41 -0.90 -2.93 113.62 109.82 1fdk n SER 107 Ca 0.05 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 1fdk n SER 107 Cb 0.23 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1fdk n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fdk n LYS 108 N -1.41 1.39 -4.42 4.33 4.76 -0.45 -5.03 118.16 117.34 1fdk n LYS 108 Ca 0.04 -0.99 -0.25 0.00 -2.87 0.00 0.00 58.31 54.25 1fdk n LYS 108 Cb 0.13 -1.21 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 1fdk n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1fdk s VAL 109 N -1.35 2.29 0.57 -0.18 -7.23 -1.12 -5.09 120.40 108.28 1fdk s VAL 109 Ca 0.13 -2.12 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1fdk s VAL 109 Cb 0.11 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1fdk s VAL 109 CO 0.24 -0.24 1.13 -2.84 -0.31 0.00 0.00 175.10 173.09 1fdk s PRO 110 N -2.94 3.21 -0.16 4.82 0.02 -1.26 -4.95 135.00 133.74 1fdk s PRO 110 Ca 0.22 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 62.79 1fdk s PRO 110 Cb -0.07 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1fdk s PRO 110 CO 0.11 -0.96 -0.00 -0.47 -0.33 0.00 0.00 177.00 175.34 1fdk s TYR 111 N -1.86 3.11 -0.38 6.54 6.14 -1.26 -4.46 117.35 125.18 1fdk s TYR 111 Ca 0.72 -0.13 -0.01 0.00 0.64 0.00 0.00 57.07 58.29 1fdk s TYR 111 Cb -0.24 -1.98 0.10 0.00 0.42 0.00 0.00 41.96 40.27 1fdk s TYR 111 CO 0.30 0.07 0.14 -0.80 0.64 0.00 0.00 175.55 175.90 1fdk s ASN 112 N 0.23 5.07 0.55 4.32 0.01 -1.26 -4.98 114.94 118.88 1fdk s ASN 112 Ca -0.00 -1.99 0.31 0.00 -0.71 0.00 0.00 52.86 50.46 1fdk s ASN 112 Cb -0.13 -1.76 1.47 0.00 0.41 0.00 0.00 41.25 41.24 1fdk s ASN 112 CO 0.02 -0.47 1.88 0.11 -1.51 0.00 0.00 177.10 177.14 1fdk h LYS 113 N 7.91 0.00 0.00 -0.60 1.57 -1.99 0.65 116.57 124.11 1fdk h LYS 113 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1fdk h LYS 113 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1fdk h LYS 113 CO 0.63 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 180.56 1fdk h GLU 114 N 0.00 0.00 -0.02 3.15 9.09 -2.05 -2.27 114.58 122.49 1fdk h GLU 114 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 1fdk h GLU 114 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.70 1fdk h GLU 114 CO -0.00 0.00 -0.07 0.72 0.05 0.00 0.00 179.01 179.71 1fdk n HIS 115 N -2.74 0.00 -2.08 2.06 8.25 0.22 -4.79 115.22 116.14 1fdk n HIS 115 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1fdk n HIS 115 Cb 0.30 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1fdk n HIS 115 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1fdk s LYS 116 N -2.11 4.32 -1.31 -0.41 -0.14 -0.86 -1.02 119.74 118.21 1fdk s LYS 116 Ca 0.33 2.25 -0.07 0.00 -1.36 0.00 0.00 55.97 57.12 1fdk s LYS 116 Cb 0.20 -3.08 0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1fdk s LYS 116 CO 0.37 -0.27 0.46 0.09 -0.76 0.00 0.00 175.35 175.25 1fdk n ASN 117 N 1.25 -4.20 -4.60 2.83 3.02 0.62 -4.79 115.26 109.38 1fdk n ASN 117 Ca 0.02 -0.31 -0.61 0.00 -0.03 0.00 0.00 54.58 53.65 1fdk n ASN 117 Cb 0.41 -3.46 -0.08 0.00 -0.61 0.00 0.00 39.78 36.04 1fdk n ASN 117 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1fdk n LEU 118 N -3.70 0.72 -4.54 3.41 -0.00 -0.90 -4.71 117.00 107.29 1fdk n LEU 118 Ca -0.05 1.16 -0.27 0.00 -0.00 0.00 0.00 56.01 56.85 1fdk n LEU 118 Cb 0.56 -0.95 -0.08 0.00 -0.00 0.00 0.00 43.42 42.95 1fdk n LEU 118 CO 0.47 -1.37 1.77 -0.67 -0.00 0.00 0.00 177.39 177.59 1fdk n ASP 119 N 2.68 1.46 -0.15 1.96 2.03 -1.26 -4.73 116.55 118.55 1fdk n ASP 119 Ca 0.24 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1fdk n ASP 119 Cb 0.05 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.03 1fdk n ASP 119 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fdk n LYS 120 N 8.49 0.00 -0.71 -0.67 5.02 -1.26 -0.51 118.16 128.51 1fdk n LYS 120 Ca 0.48 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.85 1fdk n LYS 120 Cb 0.40 -0.98 0.37 0.00 -0.02 0.00 0.00 35.03 34.80 1fdk n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1fdk n LYS 121 N -0.17 4.16 0.00 1.97 5.02 -1.26 -3.76 118.16 124.11 1fdk n LYS 121 Ca 0.00 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 1fdk n LYS 121 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1fdk n LYS 121 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1fdk n ASN 122 N 0.79 1.14 -0.75 4.39 4.05 0.33 -5.28 115.26 119.93 1fdk n ASN 122 Ca 0.26 -1.38 0.13 0.00 0.45 0.00 0.00 54.58 54.04 1fdk n ASN 122 Cb 1.01 0.00 0.29 0.00 1.23 0.00 0.00 39.78 42.31 1fdk n ASN 122 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21