#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdl s VAL 2 N 0.00 2.83 0.57 3.15 1.01 -1.26 -0.36 120.40 126.34 1fdl s VAL 2 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1fdl s VAL 2 Cb 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1fdl s VAL 2 CO 0.00 0.50 0.85 -0.36 0.00 0.00 0.00 175.10 176.09 1fdl s PHE 3 N 0.90 3.18 0.10 5.22 0.08 -0.27 -4.99 117.98 122.19 1fdl s PHE 3 Ca -0.03 0.48 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 1fdl s PHE 3 Cb -0.15 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1fdl s PHE 3 CO -0.01 -0.79 0.28 0.20 -0.10 0.00 0.00 175.22 174.80 1fdl s GLY 4 N -4.32 2.11 0.10 4.36 0.00 -1.26 -4.88 107.32 103.43 1fdl s GLY 4 Ca 0.54 -0.79 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1fdl s GLY 4 CO 0.43 -0.76 1.39 -0.09 0.00 0.00 0.00 173.10 174.06 1fdl h ARG 5 N 2.80 -0.15 0.00 2.90 2.43 -1.99 0.19 114.38 120.56 1fdl h ARG 5 Ca -0.46 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1fdl h ARG 5 Cb 1.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1fdl h ARG 5 CO 0.74 -0.10 -0.19 0.00 -1.51 0.00 0.00 179.97 178.90 1fdl h GLU 7 N 0.00 0.27 -0.26 0.00 4.81 -1.51 -1.40 114.58 116.49 1fdl h GLU 7 Ca -0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1fdl h GLU 7 Cb 0.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1fdl h GLU 7 CO 0.02 0.59 0.09 1.25 -0.73 0.00 0.00 179.01 180.23 1fdl h LEU 8 N -0.07 0.37 -0.48 1.64 5.85 -0.52 -2.57 115.31 119.54 1fdl h LEU 8 Ca 0.03 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.65 1fdl h LEU 8 Cb 0.50 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1fdl h LEU 8 CO 0.02 0.47 -0.06 0.00 -0.34 0.00 0.00 178.44 178.53 1fdl h ALA 9 N 0.92 0.39 0.00 1.25 0.00 -1.02 0.12 119.26 120.91 1fdl h ALA 9 Ca 0.08 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1fdl h ALA 9 Cb 0.22 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1fdl h ALA 9 CO -0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 179.25 178.59 1fdl h ALA 10 N 1.45 1.23 0.24 0.00 0.00 -0.90 -1.24 119.26 120.05 1fdl h ALA 10 Ca 0.24 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1fdl h ALA 10 Cb 0.36 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1fdl h ALA 10 CO -0.44 0.29 -1.52 0.00 0.00 0.00 0.00 179.25 177.57 1fdl h ALA 11 N 1.77 -0.11 -0.63 0.00 0.00 -0.46 -0.70 119.26 119.12 1fdl h ALA 11 Ca -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 1fdl h ALA 11 Cb 0.56 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1fdl h ALA 11 CO 0.03 0.75 0.38 0.52 0.00 0.00 0.00 179.25 180.93 1fdl h MET 12 N 0.14 0.86 -0.50 0.00 2.86 -0.84 -0.95 114.93 116.51 1fdl h MET 12 Ca -0.27 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1fdl h MET 12 Cb 2.16 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 33.61 1fdl h MET 12 CO 0.26 0.62 0.29 -0.22 1.06 0.00 0.00 176.91 178.92 1fdl h LYS 13 N 0.86 0.56 -0.23 1.72 3.64 -1.20 -1.39 116.57 120.53 1fdl h LYS 13 Ca 0.23 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1fdl h LYS 13 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1fdl h LYS 13 CO -0.04 0.37 0.16 0.00 -2.27 0.00 0.00 179.45 177.67 1fdl h ARG 14 N 0.57 0.07 -0.42 1.90 3.08 0.18 -1.67 114.38 118.09 1fdl h ARG 14 Ca 0.20 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1fdl h ARG 14 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1fdl h ARG 14 CO -0.10 0.05 0.00 0.72 -1.07 0.00 0.00 179.97 179.56 1fdl n HIS 15 N -4.48 0.57 -1.42 3.04 8.25 -0.57 -4.94 115.22 115.67 1fdl n HIS 15 Ca 0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1fdl n HIS 15 Cb 0.26 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1fdl n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fdl n GLY 16 N 1.15 0.39 0.25 -1.41 0.00 -0.63 -4.96 105.19 99.98 1fdl n GLY 16 Ca 0.14 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.31 1fdl n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fdl n LEU 17 N 0.00 0.88 -4.60 0.99 4.77 -0.92 -4.49 117.00 113.63 1fdl n LEU 17 Ca 0.00 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 1fdl n LEU 17 Cb 0.22 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1fdl n LEU 17 CO 0.00 0.15 1.24 -0.62 -1.33 0.00 0.00 177.39 176.84 1fdl s ASP 18 N -2.29 6.33 -0.45 -1.43 2.15 -1.26 -2.72 116.67 116.99 1fdl s ASP 18 Ca 0.32 0.82 0.00 0.00 0.43 0.00 0.00 52.55 54.12 1fdl s ASP 18 Cb 0.20 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1fdl s ASP 18 CO 0.43 -1.44 0.00 -3.20 -0.17 0.00 0.00 175.17 170.79 1fdl n ASN 19 N 8.85 -2.56 -4.65 -0.34 5.15 0.48 -4.90 115.26 117.30 1fdl n ASN 19 Ca 0.17 0.03 -0.43 0.00 -0.60 0.00 0.00 54.58 53.75 1fdl n ASN 19 Cb 0.48 -1.53 -0.02 0.00 -0.53 0.00 0.00 39.78 38.18 1fdl n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1fdl s TYR 20 N -2.23 3.19 -1.45 1.20 5.04 -1.10 -1.24 117.35 120.75 1fdl s TYR 20 Ca 0.00 1.29 -0.08 0.00 -2.44 0.00 0.00 57.07 55.84 1fdl s TYR 20 Cb 0.00 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.85 1fdl s TYR 20 CO 0.00 -0.77 0.90 0.54 -1.34 0.00 0.00 175.55 174.88 1fdl n ARG 21 N 6.61 -6.19 -2.00 4.97 5.12 -1.26 -2.77 116.66 121.14 1fdl n ARG 21 Ca 0.12 0.80 -0.14 0.00 -1.93 0.00 0.00 57.85 56.70 1fdl n ARG 21 Cb 0.46 -5.74 -0.02 0.00 -1.16 0.00 0.00 32.46 26.00 1fdl n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fdl n GLY 22 N -1.73 0.30 3.52 -0.13 0.00 -0.37 -5.03 105.19 101.75 1fdl n GLY 22 Ca -0.03 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1fdl n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fdl s TYR 23 N -2.64 3.14 0.57 1.61 2.02 -1.11 -4.93 117.35 116.01 1fdl s TYR 23 Ca 0.00 -0.21 -0.17 0.00 -0.37 0.00 0.00 57.07 56.32 1fdl s TYR 23 Cb 0.00 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1fdl s TYR 23 CO 0.00 -0.20 1.08 -1.54 -1.57 0.00 0.00 175.55 173.32 1fdl s SER 24 N 1.34 5.73 0.26 2.29 1.04 -1.26 -0.39 113.70 122.71 1fdl s SER 24 Ca 0.05 1.96 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 1fdl s SER 24 Cb -0.15 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.91 1fdl s SER 24 CO 0.04 -1.20 1.61 0.25 0.98 0.00 0.00 173.24 174.92 1fdl h LEU 25 N 0.75 -0.49 -1.74 2.42 5.85 -1.91 0.31 115.31 120.52 1fdl h LEU 25 Ca -0.48 0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1fdl h LEU 25 Cb 1.24 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1fdl h LEU 25 CO 0.57 -0.24 0.44 1.23 -0.34 0.00 0.00 178.44 180.10 1fdl h GLY 26 N 0.06 0.00 1.54 3.75 0.00 -1.92 0.26 103.07 106.76 1fdl h GLY 26 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.63 1fdl h GLY 26 CO -0.77 0.00 -0.54 3.43 0.00 0.00 0.00 176.54 178.66 1fdl h ASN 27 N 0.00 0.54 0.03 0.19 2.35 -0.60 -1.17 115.58 116.92 1fdl h ASN 27 Ca 0.03 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1fdl h ASN 27 Cb 0.91 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1fdl h ASN 27 CO -0.00 0.98 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.24 1fdl h TRP 28 N 0.38 -0.03 0.07 1.19 4.06 -0.62 -2.39 115.95 118.60 1fdl h TRP 28 Ca 0.01 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.98 1fdl h TRP 28 Cb 1.07 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1fdl h TRP 28 CO 0.04 0.63 -0.19 0.28 -3.56 0.00 0.00 178.44 175.64 1fdl h VAL 29 N -0.74 0.56 -1.00 1.49 2.07 -1.48 -0.36 116.25 116.79 1fdl h VAL 29 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1fdl h VAL 29 Cb 0.67 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 1fdl h VAL 29 CO 0.01 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.22 1fdl h ALA 31 N 1.57 0.30 -0.46 0.00 0.00 -0.76 -1.79 119.26 118.12 1fdl h ALA 31 Ca 0.52 -0.66 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1fdl h ALA 31 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1fdl h ALA 31 CO -0.29 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.56 1fdl h ALA 32 N 0.60 0.29 0.24 0.00 0.00 -0.78 0.11 119.26 119.72 1fdl h ALA 32 Ca -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1fdl h ALA 32 Cb 1.54 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1fdl h ALA 32 CO 0.17 -0.45 -0.12 -0.22 0.00 0.00 0.00 179.25 178.63 1fdl h LYS 33 N -0.01 -0.31 -0.00 0.00 1.63 -1.17 0.04 116.57 116.75 1fdl h LYS 33 Ca 0.22 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1fdl h LYS 33 Cb 0.35 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1fdl h LYS 33 CO -0.48 -0.18 -0.05 1.19 -3.45 0.00 0.00 179.45 176.48 1fdl n PHE 34 N -5.22 0.00 -0.08 1.91 3.01 -0.69 -1.98 117.46 114.41 1fdl n PHE 34 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 1fdl n PHE 34 Cb 0.16 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.14 1fdl n PHE 34 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1fdl h GLU 35 N 0.02 0.00 -0.00 -1.08 4.39 -0.50 -3.43 114.58 113.97 1fdl h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fdl h GLU 35 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1fdl h GLU 35 CO 0.00 0.36 -0.32 -1.13 -1.16 0.00 0.00 179.01 176.76 1fdl n SER 36 N -4.58 0.89 -3.62 1.42 3.41 -0.03 -4.89 113.62 106.22 1fdl n SER 36 Ca -0.14 -0.95 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 1fdl n SER 36 Cb 0.37 0.70 0.07 0.00 -0.26 0.00 0.00 64.21 65.08 1fdl n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1fdl n ASN 37 N -0.67 -4.21 -1.33 4.04 2.85 -0.84 -2.23 115.26 112.86 1fdl n ASN 37 Ca 0.03 -0.64 -0.17 0.00 -0.11 0.00 0.00 54.58 53.69 1fdl n ASN 37 Cb 0.19 -4.72 -0.07 0.00 1.24 0.00 0.00 39.78 36.41 1fdl n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1fdl n PHE 38 N -4.62 0.00 -3.54 1.20 0.99 -1.19 -4.83 117.46 105.47 1fdl n PHE 38 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.93 1fdl n PHE 38 Cb 0.60 -3.18 -0.11 0.00 -1.00 0.00 0.00 39.48 35.80 1fdl n PHE 38 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1fdl s ASN 39 N -2.68 5.89 0.62 4.37 3.84 -0.95 -1.12 114.94 124.92 1fdl s ASN 39 Ca 0.00 -0.95 0.36 0.00 0.21 0.00 0.00 52.86 52.48 1fdl s ASN 39 Cb 0.00 -2.08 2.07 0.00 -0.55 0.00 0.00 41.25 40.69 1fdl s ASN 39 CO 0.00 -0.41 2.30 0.71 -2.79 0.00 0.00 177.10 176.91 1fdl h THR 40 N 5.77 0.31 -0.44 -5.21 1.35 -1.00 -1.13 112.91 112.56 1fdl h THR 40 Ca -0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1fdl h THR 40 Cb 1.11 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1fdl h THR 40 CO 0.69 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1fdl n GLN 41 N -3.53 4.01 -2.19 4.72 6.02 -1.26 -3.88 117.38 121.28 1fdl n GLN 41 Ca -0.03 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.00 54.12 1fdl n GLN 41 Cb 0.08 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 29.22 1fdl n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fdl s ALA 42 N -2.36 3.51 -0.09 -1.58 0.00 -0.43 -4.82 121.76 115.99 1fdl s ALA 42 Ca 0.42 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 1fdl s ALA 42 Cb 0.32 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 20.02 1fdl s ALA 42 CO 0.12 -0.55 0.22 0.99 0.00 0.00 0.00 175.76 176.54 1fdl s THR 43 N -0.67 -0.05 -0.11 0.00 2.01 -1.26 0.01 115.64 115.58 1fdl s THR 43 Ca 0.51 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 1fdl s THR 43 Cb -0.38 -0.34 0.04 0.00 0.01 0.00 0.00 72.50 71.83 1fdl s THR 43 CO 0.46 0.07 0.07 0.20 -0.69 0.00 0.00 174.62 174.73 1fdl s ASN 44 N 1.26 1.75 0.35 3.53 0.01 0.41 -4.94 114.94 117.31 1fdl s ASN 44 Ca -0.09 -0.27 -0.28 0.00 -0.71 0.00 0.00 52.86 51.51 1fdl s ASN 44 Cb -0.11 -0.21 -0.10 0.00 0.41 0.00 0.00 41.25 41.25 1fdl s ASN 44 CO -0.08 -0.30 1.24 -0.60 -1.51 0.00 0.00 177.10 175.85 1fdl s ARG 45 N 2.14 4.29 0.11 -0.60 3.52 -1.26 -0.46 118.95 126.69 1fdl s ARG 45 Ca 0.03 2.05 0.10 0.00 -0.13 0.00 0.00 55.73 57.78 1fdl s ARG 45 Cb -0.14 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1fdl s ARG 45 CO -0.06 -0.18 -0.23 -0.80 -0.81 0.00 0.00 175.30 173.21 1fdl s ASN 46 N -0.73 3.51 0.56 -2.12 0.01 0.18 -4.92 114.94 111.43 1fdl s ASN 46 Ca 0.51 -0.64 0.40 0.00 -0.71 0.00 0.00 52.86 52.42 1fdl s ASN 46 Cb -0.36 -0.36 1.56 0.00 0.41 0.00 0.00 41.25 42.50 1fdl s ASN 46 CO 0.47 0.20 1.71 0.74 -1.51 0.00 0.00 177.10 178.71 1fdl h THR 47 N 3.84 0.26 -0.05 1.60 2.02 -1.96 0.33 112.91 118.95 1fdl h THR 47 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1fdl h THR 47 Cb 1.16 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1fdl h THR 47 CO 0.43 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.42 1fdl n ASP 48 N -4.01 0.39 0.00 4.18 5.75 -1.26 -4.85 116.55 116.75 1fdl n ASP 48 Ca 0.30 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1fdl n ASP 48 Cb 1.46 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 1fdl n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fdl n GLY 49 N 0.82 0.50 3.83 6.12 0.00 0.12 -4.94 105.19 111.64 1fdl n GLY 49 Ca 0.12 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1fdl n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fdl s SER 50 N -2.59 4.85 -0.01 1.61 1.04 -1.19 -4.71 113.70 112.70 1fdl s SER 50 Ca 0.00 -0.85 0.06 0.00 0.48 0.00 0.00 55.95 55.63 1fdl s SER 50 Cb 0.00 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 1fdl s SER 50 CO 0.00 -0.63 -0.18 -0.89 0.98 0.00 0.00 173.24 172.53 1fdl s THR 51 N -2.52 1.40 0.01 2.02 2.01 -1.26 0.49 115.64 117.79 1fdl s THR 51 Ca 0.46 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 1fdl s THR 51 Cb -0.01 -1.17 -0.06 0.00 0.01 0.00 0.00 72.50 71.27 1fdl s THR 51 CO 0.26 0.38 0.56 -1.81 -0.69 0.00 0.00 174.62 173.31 1fdl s ASP 52 N -0.47 6.96 -0.00 3.53 1.01 0.39 -1.81 116.67 126.27 1fdl s ASP 52 Ca 0.07 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.53 1fdl s ASP 52 Cb -0.07 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 1fdl s ASP 52 CO -0.01 0.17 -0.19 -0.31 0.21 0.00 0.00 175.17 175.05 1fdl s TYR 53 N -0.49 1.68 0.00 4.23 2.02 -0.21 -0.45 117.35 124.13 1fdl s TYR 53 Ca 0.29 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1fdl s TYR 53 Cb -0.18 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 1fdl s TYR 53 CO 0.17 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.55 1fdl n GLY 54 N 2.47 -1.66 0.31 0.71 0.00 0.10 -1.52 105.19 105.61 1fdl n GLY 54 Ca -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1fdl n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fdl h ILE 55 N 0.00 1.21 -0.63 -0.61 2.10 -1.69 -2.76 117.51 115.13 1fdl h ILE 55 Ca 0.00 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1fdl h ILE 55 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1fdl h ILE 55 CO 0.00 0.26 0.00 0.18 -1.08 0.00 0.00 178.15 177.51 1fdl n LEU 56 N -4.33 5.16 -3.98 2.19 4.77 -1.26 -3.77 117.00 115.78 1fdl n LEU 56 Ca 0.05 -2.63 -0.27 0.00 -0.03 0.00 0.00 56.01 53.13 1fdl n LEU 56 Cb 0.17 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1fdl n LEU 56 CO 0.39 0.75 -0.20 0.00 -1.33 0.00 0.00 177.39 177.00 1fdl n GLN 57 N 0.94 -3.37 -2.39 3.23 1.13 -1.04 -4.93 117.38 110.95 1fdl n GLN 57 Ca 0.27 0.41 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 1fdl n GLN 57 Cb 1.01 -4.63 -0.03 0.00 0.11 0.00 0.00 30.24 26.70 1fdl n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fdl s ILE 58 N -3.87 3.87 -0.13 5.09 1.01 -0.57 -4.26 121.20 122.34 1fdl s ILE 58 Ca 0.10 1.39 -0.18 0.00 0.00 0.00 0.00 60.65 61.97 1fdl s ILE 58 Cb -0.06 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1fdl s ILE 58 CO 0.89 0.14 0.48 0.21 0.00 0.00 0.00 174.94 176.66 1fdl s ASN 59 N 0.84 6.66 0.66 3.58 3.84 -1.26 -1.04 114.94 128.22 1fdl s ASN 59 Ca 0.58 0.79 0.43 0.00 0.21 0.00 0.00 52.86 54.87 1fdl s ASN 59 Cb -0.31 -2.29 2.38 0.00 -0.55 0.00 0.00 41.25 40.49 1fdl s ASN 59 CO 0.31 -0.03 2.36 0.77 -2.79 0.00 0.00 177.10 177.72 1fdl h SER 60 N 6.85 0.00 0.68 -4.21 4.64 -1.55 -0.99 113.55 118.98 1fdl h SER 60 Ca -0.40 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 1fdl h SER 60 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1fdl h SER 60 CO 0.75 0.00 -0.32 -0.09 -0.87 0.00 0.00 176.83 176.31 1fdl h ARG 61 N 0.00 0.00 0.00 4.77 9.65 -1.85 -3.38 114.38 123.57 1fdl h ARG 61 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1fdl h ARG 61 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1fdl h ARG 61 CO -0.00 0.32 -0.74 0.91 2.80 0.00 0.00 179.97 183.26 1fdl n TRP 62 N -3.63 0.00 -0.05 2.20 7.02 -1.11 -2.84 117.44 119.03 1fdl n TRP 62 Ca -0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1fdl n TRP 62 Cb 0.44 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.19 1fdl n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1fdl n TRP 63 N -2.12 0.00 -3.94 -5.99 7.02 -0.39 -0.09 117.44 111.92 1fdl n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1fdl n TRP 63 Cb 0.37 -0.66 -0.09 0.00 -2.42 0.00 0.00 31.31 28.51 1fdl n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fdl s ASN 65 N -2.10 5.12 -0.02 0.00 4.22 -0.31 -4.33 114.94 117.52 1fdl s ASN 65 Ca -0.05 0.07 0.03 0.00 -2.14 0.00 0.00 52.86 50.77 1fdl s ASN 65 Cb -0.01 -1.53 0.05 0.00 1.28 0.00 0.00 41.25 41.04 1fdl s ASN 65 CO -0.04 0.33 1.02 -0.90 -2.04 0.00 0.00 177.10 175.46 1fdl n ASP 66 N 2.50 2.03 0.00 3.54 5.75 -1.26 -0.80 116.55 128.30 1fdl n ASP 66 Ca -0.18 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 1fdl n ASP 66 Cb 0.53 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1fdl n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fdl n GLY 67 N -0.66 1.83 0.00 6.12 0.00 -1.26 -4.69 105.19 106.53 1fdl n GLY 67 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1fdl n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fdl n ARG 68 N 0.00 0.14 -3.98 1.61 1.85 -1.26 -4.80 116.66 110.22 1fdl n ARG 68 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 1fdl n ARG 68 Cb 0.00 -1.26 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 1fdl n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fdl s THR 69 N -2.00 3.69 -0.68 8.89 2.01 -1.26 -4.98 115.64 121.31 1fdl s THR 69 Ca 0.03 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 1fdl s THR 69 Cb 0.02 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 1fdl s THR 69 CO 0.03 0.42 2.13 -2.84 -0.69 0.00 0.00 174.62 173.66 1fdl s PRO 70 N 1.29 2.28 0.00 4.92 0.02 -1.26 -2.36 135.00 139.88 1fdl s PRO 70 Ca 0.04 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1fdl s PRO 70 Cb -0.14 -4.67 0.00 0.00 0.02 0.00 0.00 34.50 29.71 1fdl s PRO 70 CO -0.00 -3.35 0.00 0.41 -0.33 0.00 0.00 177.00 173.73 1fdl n GLY 71 N 6.25 1.40 3.52 0.52 0.00 -1.26 -5.03 105.19 110.59 1fdl n GLY 71 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1fdl n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fdl n SER 72 N 0.00 1.97 0.27 1.61 2.88 -1.00 -4.79 113.62 114.57 1fdl n SER 72 Ca 0.00 -0.08 0.16 0.00 -1.33 0.00 0.00 58.87 57.62 1fdl n SER 72 Cb 0.00 -1.37 0.65 0.00 -0.75 0.00 0.00 64.21 62.73 1fdl n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1fdl h ARG 73 N 15.92 0.00 -6.92 -1.46 -0.00 -1.74 -3.48 114.38 116.70 1fdl h ARG 73 Ca -0.23 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.68 1fdl h ARG 73 Cb 1.29 0.00 -0.24 0.00 0.00 0.00 0.00 29.97 31.02 1fdl h ARG 73 CO 1.15 0.03 -0.88 -1.71 0.00 0.00 0.00 179.97 178.56 1fdl n ASN 74 N -3.14 0.20 0.33 7.04 5.15 -1.03 -4.84 115.26 118.96 1fdl n ASN 74 Ca 0.01 -1.18 0.22 0.00 -0.60 0.00 0.00 54.58 53.03 1fdl n ASN 74 Cb 0.32 -1.47 1.16 0.00 -0.53 0.00 0.00 39.78 39.26 1fdl n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1fdl h LEU 75 N -1.37 0.00 -0.24 1.20 3.38 -0.59 0.68 115.31 118.37 1fdl h LEU 75 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1fdl h LEU 75 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1fdl h LEU 75 CO 0.70 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.70 1fdl n ASN 77 N -1.12 -2.82 -3.95 0.00 3.02 0.24 -4.99 115.26 105.63 1fdl n ASN 77 Ca 0.07 -0.51 -0.15 0.00 -0.03 0.00 0.00 54.58 53.97 1fdl n ASN 77 Cb 0.35 -4.37 -0.14 0.00 -0.61 0.00 0.00 39.78 35.01 1fdl n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1fdl s ILE 78 N -3.30 0.35 0.03 2.41 1.10 -1.26 -5.05 121.20 115.49 1fdl s ILE 78 Ca 0.11 -0.28 -0.30 0.00 -0.51 0.00 0.00 60.65 59.67 1fdl s ILE 78 Cb -0.05 -0.32 -0.08 0.00 0.15 0.00 0.00 42.46 42.17 1fdl s ILE 78 CO 0.61 0.04 1.76 -2.16 -2.11 0.00 0.00 174.94 173.08 1fdl s PRO 79 N -0.26 4.17 0.49 3.50 0.04 -1.26 -1.16 135.00 140.53 1fdl s PRO 79 Ca 0.00 2.40 0.27 0.00 0.04 0.00 0.00 61.00 63.71 1fdl s PRO 79 Cb -0.03 -3.85 1.35 0.00 0.04 0.00 0.00 34.50 32.02 1fdl s PRO 79 CO -0.00 -0.83 1.86 0.00 0.04 0.00 0.00 177.00 178.07 1fdl h SER 81 N 0.14 0.00 0.07 0.00 4.64 -1.92 0.60 113.55 117.09 1fdl h SER 81 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1fdl h SER 81 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1fdl h SER 81 CO -0.08 0.06 -0.02 0.00 -0.87 0.00 0.00 176.83 175.92 1fdl h ALA 82 N 1.94 1.43 -0.00 5.18 0.00 -0.67 -1.62 119.26 125.52 1fdl h ALA 82 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fdl h ALA 82 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fdl h ALA 82 CO 0.01 0.03 -0.06 1.28 0.00 0.00 0.00 179.25 180.50 1fdl n LEU 83 N -3.74 0.19 -1.60 0.00 4.77 0.20 -3.32 117.00 113.51 1fdl n LEU 83 Ca -0.03 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1fdl n LEU 83 Cb 0.11 -0.26 0.35 0.00 -2.33 0.00 0.00 43.42 41.28 1fdl n LEU 83 CO 0.27 0.04 0.80 0.18 -1.33 0.00 0.00 177.39 177.35 1fdl n LEU 84 N -1.19 4.76 0.00 2.23 4.77 -0.61 -3.84 117.00 123.13 1fdl n LEU 84 Ca 0.13 -2.41 -0.10 0.00 -0.03 0.00 0.00 56.01 53.60 1fdl n LEU 84 Cb 0.27 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1fdl n LEU 84 CO 0.24 0.69 0.20 -0.24 -1.33 0.00 0.00 177.39 176.95 1fdl n SER 85 N 0.85 -1.43 -0.11 -1.43 2.88 -1.21 -4.58 113.62 108.58 1fdl n SER 85 Ca 0.24 -0.70 0.01 0.00 -1.33 0.00 0.00 58.87 57.09 1fdl n SER 85 Cb 0.94 -0.34 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 1fdl n SER 85 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1fdl n SER 86 N -3.64 1.65 -4.45 -3.46 7.64 -1.26 -4.68 113.62 105.41 1fdl n SER 86 Ca 0.05 -1.51 -0.39 0.00 1.01 0.00 0.00 58.87 58.03 1fdl n SER 86 Cb 0.20 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.26 1fdl n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fdl s ASP 87 N -0.56 5.69 0.04 6.43 3.68 -1.26 -4.99 116.67 125.70 1fdl s ASP 87 Ca 0.04 -0.55 0.23 0.00 2.13 0.00 0.00 52.55 54.40 1fdl s ASP 87 Cb 0.02 -2.04 0.97 0.00 -1.45 0.00 0.00 42.92 40.42 1fdl s ASP 87 CO 0.03 -0.23 1.74 2.30 0.13 0.00 0.00 175.17 179.14 1fdl n ILE 88 N 5.01 0.46 -0.23 4.11 -5.35 -1.26 -4.32 119.36 117.77 1fdl n ILE 88 Ca -0.13 0.07 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 1fdl n ILE 88 Cb 0.49 -0.73 -0.06 0.00 -1.74 0.00 0.00 39.64 37.61 1fdl n ILE 88 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1fdl n THR 89 N -1.63 -0.38 0.29 7.28 -1.04 -1.26 -0.77 114.28 116.77 1fdl n THR 89 Ca 0.05 1.62 0.18 0.00 -2.04 0.00 0.00 64.05 63.87 1fdl n THR 89 Cb 0.28 -2.03 0.83 0.00 -1.82 0.00 0.00 70.33 67.59 1fdl n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fdl h ALA 90 N 0.10 1.02 0.12 2.41 0.00 -1.89 -1.45 119.26 119.57 1fdl h ALA 90 Ca 0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.69 1fdl h ALA 90 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fdl h ALA 90 CO -0.53 0.02 -1.38 1.03 0.00 0.00 0.00 179.25 178.40 1fdl h SER 91 N 0.00 0.41 0.60 0.00 0.87 -1.24 -3.05 113.55 111.14 1fdl h SER 91 Ca -0.00 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1fdl h SER 91 Cb 0.37 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1fdl h SER 91 CO 0.00 1.39 -0.29 0.58 -0.53 0.00 0.00 176.83 177.99 1fdl h VAL 92 N 0.07 0.00 -1.12 2.23 2.07 -0.95 -0.67 116.25 117.88 1fdl h VAL 92 Ca -0.18 -0.21 0.33 0.00 0.82 0.00 0.00 66.70 67.46 1fdl h VAL 92 Cb 1.99 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.65 1fdl h VAL 92 CO 0.18 0.00 0.71 0.78 0.02 0.00 0.00 177.57 179.27 1fdl h ASN 93 N -1.01 0.39 0.86 0.57 2.35 -1.39 1.00 115.58 118.35 1fdl h ASN 93 Ca -0.08 0.12 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1fdl h ASN 93 Cb 0.62 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1fdl h ASN 93 CO 0.14 -0.03 -1.14 0.00 -1.65 0.00 0.00 177.43 174.74 1fdl h ALA 95 N 0.90 1.22 -0.13 0.00 0.00 0.25 0.19 119.26 121.69 1fdl h ALA 95 Ca -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fdl h ALA 95 Cb 1.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1fdl h ALA 95 CO 0.14 0.56 0.07 0.87 0.00 0.00 0.00 179.25 180.90 1fdl h LYS 96 N 0.92 0.18 0.00 0.00 1.57 -0.71 -0.43 116.57 118.09 1fdl h LYS 96 Ca 0.21 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 1fdl h LYS 96 Cb 0.21 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1fdl h LYS 96 CO -0.02 0.13 -1.13 -0.22 -0.57 0.00 0.00 179.45 177.64 1fdl h LYS 97 N 0.18 0.00 -0.22 3.15 3.64 -0.94 -2.86 116.57 119.52 1fdl h LYS 97 Ca 0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1fdl h LYS 97 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fdl h LYS 97 CO -0.01 0.78 -0.24 0.82 -2.27 0.00 0.00 179.45 178.53 1fdl h ILE 98 N 0.00 1.32 0.00 2.00 2.04 -0.04 -3.16 117.51 119.68 1fdl h ILE 98 Ca -0.08 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1fdl h ILE 98 Cb 1.77 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1fdl h ILE 98 CO 0.11 0.44 0.00 0.55 0.00 0.00 0.00 178.15 179.24 1fdl n VAL 99 N -4.38 0.65 0.94 1.67 3.14 -0.27 -2.29 118.33 117.80 1fdl n VAL 99 Ca -0.05 -0.08 0.13 0.00 -2.96 0.00 0.00 64.34 61.38 1fdl n VAL 99 Cb 0.44 -0.79 0.36 0.00 -1.06 0.00 0.00 33.84 32.79 1fdl n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1fdl n SER 100 N -2.20 0.38 -2.46 6.55 7.64 -1.08 -4.30 113.62 118.15 1fdl n SER 100 Ca 0.04 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1fdl n SER 100 Cb 0.35 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1fdl n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fdl n ASP 101 N -1.60 -0.92 0.21 6.43 10.43 -0.97 -4.98 116.55 125.16 1fdl n ASP 101 Ca 0.06 -0.54 -0.18 0.00 2.57 0.00 0.00 54.79 56.70 1fdl n ASP 101 Cb 0.35 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.21 1fdl n ASP 101 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1fdl h GLY 102 N -0.46 -1.22 -0.33 0.44 0.00 -1.90 -3.27 103.07 96.33 1fdl h GLY 102 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1fdl h GLY 102 CO 0.00 -0.33 0.00 0.70 0.00 0.00 0.00 176.54 176.91 1fdl n ASN 103 N -5.53 0.33 0.00 0.19 4.13 -1.26 -4.97 115.26 108.15 1fdl n ASN 103 Ca -0.11 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.16 1fdl n ASN 103 Cb 0.44 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1fdl n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fdl n GLY 104 N 0.34 2.76 0.09 7.41 0.00 -1.24 -1.07 105.19 113.47 1fdl n GLY 104 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1fdl n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fdl n MET 105 N 14.00 0.16 0.00 1.61 2.81 -1.26 -2.73 117.12 131.70 1fdl n MET 105 Ca 0.00 0.29 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 1fdl n MET 105 Cb 0.00 -1.75 0.05 0.00 -0.71 0.00 0.00 33.22 30.81 1fdl n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1fdl n ASN 106 N -2.04 0.00 -0.23 7.83 3.02 -0.24 -1.23 115.26 122.37 1fdl n ASN 106 Ca 0.04 0.34 -0.02 0.00 -0.03 0.00 0.00 54.58 54.91 1fdl n ASN 106 Cb 0.29 -0.36 0.09 0.00 -0.61 0.00 0.00 39.78 39.19 1fdl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fdl h ALA 107 N 2.09 0.89 -1.60 5.41 0.00 -1.67 -3.39 119.26 120.99 1fdl h ALA 107 Ca 0.00 0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.37 1fdl h ALA 107 Cb 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1fdl h ALA 107 CO 0.00 0.07 0.98 -1.58 0.00 0.00 0.00 179.25 178.72 1fdl s TRP 108 N -6.10 2.61 0.33 0.00 0.51 -0.36 -4.94 118.94 110.99 1fdl s TRP 108 Ca -0.13 0.46 0.01 0.00 -2.12 0.00 0.00 56.10 54.32 1fdl s TRP 108 Cb 0.16 -4.50 0.58 0.00 -0.81 0.00 0.00 33.47 28.90 1fdl s TRP 108 CO 0.76 -1.58 1.97 0.28 -0.51 0.00 0.00 176.95 177.87 1fdl h VAL 109 N 6.18 1.12 -0.28 4.03 2.07 -1.87 -1.60 116.25 125.92 1fdl h VAL 109 Ca -0.25 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1fdl h VAL 109 Cb 1.06 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1fdl h VAL 109 CO 1.18 0.17 -0.02 0.00 0.02 0.00 0.00 177.57 178.92 1fdl h ALA 110 N 1.55 1.46 -0.25 1.67 0.00 -1.92 -1.20 119.26 120.57 1fdl h ALA 110 Ca 0.31 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1fdl h ALA 110 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1fdl h ALA 110 CO -0.09 0.38 -0.26 2.35 0.00 0.00 0.00 179.25 181.63 1fdl h TRP 111 N 0.41 0.75 -0.23 0.00 7.01 -1.62 -1.46 115.95 120.81 1fdl h TRP 111 Ca 0.09 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.86 1fdl h TRP 111 Cb 0.30 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1fdl h TRP 111 CO 0.01 0.95 0.00 2.89 -2.79 0.00 0.00 178.44 179.50 1fdl n ARG 112 N -4.32 2.18 0.00 2.65 1.85 -0.69 -0.71 116.66 117.63 1fdl n ARG 112 Ca -0.04 -1.11 0.00 0.00 -1.00 0.00 0.00 57.85 55.69 1fdl n ARG 112 Cb 0.45 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 1fdl n ARG 112 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1fdl n ASN 113 N 0.26 4.98 0.00 2.89 5.03 -0.54 -4.80 115.26 123.09 1fdl n ASN 113 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1fdl n ASN 113 Cb 0.48 0.97 0.00 0.00 -1.02 0.00 0.00 39.78 40.21 1fdl n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1fdl n ARG 114 N -1.53 1.70 0.00 3.52 5.12 -0.57 -4.89 116.66 120.01 1fdl n ARG 114 Ca 0.00 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1fdl n ARG 114 Cb 0.03 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 1fdl n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fdl s LYS 116 N -1.70 4.29 0.00 0.00 2.20 -0.53 -1.95 119.74 122.05 1fdl s LYS 116 Ca 0.00 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1fdl s LYS 116 Cb 0.00 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1fdl s LYS 116 CO 0.00 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1fdl n GLY 117 N 3.62 0.57 3.57 5.54 0.00 -1.26 -4.90 105.19 112.33 1fdl n GLY 117 Ca 0.13 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1fdl n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdl s THR 118 N -2.00 1.89 -0.88 2.61 -4.23 -0.82 -5.02 115.64 107.18 1fdl s THR 118 Ca 0.00 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 1fdl s THR 118 Cb 0.00 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 1fdl s THR 118 CO 0.00 -0.05 1.95 -0.67 -0.54 0.00 0.00 174.62 175.31 1fdl n ASP 119 N -0.87 2.72 0.16 3.99 2.03 -1.26 -4.73 116.55 118.58 1fdl n ASP 119 Ca -0.05 -2.70 0.12 0.00 0.52 0.00 0.00 54.79 52.68 1fdl n ASP 119 Cb 0.66 -1.23 0.57 0.00 -0.72 0.00 0.00 41.12 40.40 1fdl n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1fdl h VAL 120 N 4.61 0.00 0.00 5.18 -1.51 -1.89 -1.71 116.25 120.92 1fdl h VAL 120 Ca 0.42 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1fdl h VAL 120 Cb 0.69 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1fdl h VAL 120 CO 1.88 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.89 1fdl n GLN 121 N -2.30 0.12 -0.25 5.19 7.27 -1.26 -2.22 117.38 123.93 1fdl n GLN 121 Ca 0.00 0.33 -0.06 0.00 0.07 0.00 0.00 57.00 57.33 1fdl n GLN 121 Cb 0.13 -1.71 0.05 0.00 2.41 0.00 0.00 30.24 31.12 1fdl n GLN 121 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1fdl h ALA 122 N 2.40 0.91 0.00 1.69 0.00 -1.69 -1.38 119.26 121.19 1fdl h ALA 122 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fdl h ALA 122 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fdl h ALA 122 CO 0.00 0.49 0.14 -1.49 0.00 0.00 0.00 179.25 178.39 1fdl h TRP 123 N 0.98 0.00 -0.00 0.00 4.06 -1.66 -1.48 115.95 117.85 1fdl h TRP 123 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1fdl h TRP 123 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1fdl h TRP 123 CO 0.01 0.00 -0.07 0.44 -3.56 0.00 0.00 178.44 175.26 1fdl n ILE 124 N -2.56 0.00 -2.34 1.49 -6.64 -0.81 -4.73 119.36 103.77 1fdl n ILE 124 Ca -0.02 -0.47 -0.42 0.00 -1.77 0.00 0.00 62.75 60.08 1fdl n ILE 124 Cb 0.19 1.02 -0.03 0.00 -1.44 0.00 0.00 39.64 39.37 1fdl n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1fdl s ARG 125 N -0.83 4.41 0.00 6.28 0.52 -0.56 -2.08 118.95 126.69 1fdl s ARG 125 Ca 0.02 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.10 1fdl s ARG 125 Cb 0.02 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.19 1fdl s ARG 125 CO 0.07 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1fdl n GLY 126 N 3.07 2.55 3.82 -3.53 0.00 -1.26 -4.98 105.19 104.85 1fdl n GLY 126 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1fdl n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdl s ARG 128 N -3.17 3.87 0.00 0.00 3.52 -1.26 -5.11 118.95 116.80 1fdl s ARG 128 Ca 0.61 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1fdl s ARG 128 Cb -0.09 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1fdl s ARG 128 CO 0.14 -0.55 0.27 1.28 -0.81 0.00 0.00 175.30 175.63