#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdg s THR 4 N 0.00 2.84 -0.07 3.84 2.01 -1.26 -5.02 115.64 117.98 3fdg s THR 4 Ca 0.00 0.55 -0.17 0.00 0.31 0.00 0.00 61.69 62.38 3fdg s THR 4 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3fdg s THR 4 CO 0.00 0.03 0.46 -0.63 -0.69 0.00 0.00 174.62 173.79 3fdg s ILE 5 N 1.48 5.10 0.36 1.82 1.01 -1.26 -5.05 121.20 124.66 3fdg s ILE 5 Ca 0.70 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.01 3fdg s ILE 5 Cb -0.41 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 3fdg s ILE 5 CO 0.31 0.42 1.25 -2.65 0.00 0.00 0.00 174.94 174.27 3fdg n PRO 6 N 2.95 2.00 -4.58 2.79 -0.02 -1.26 -4.94 135.00 131.94 3fdg n PRO 6 Ca -0.09 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 3fdg n PRO 6 Cb 0.52 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 3fdg n PRO 6 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fdg s VAL 7 N -1.12 3.59 -0.18 -1.45 1.01 0.49 -4.32 120.40 118.44 3fdg s VAL 7 Ca 0.57 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 3fdg s VAL 7 Cb -0.57 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3fdg s VAL 7 CO 0.61 0.54 -0.01 0.12 0.00 0.00 0.00 175.10 176.36 3fdg s PHE 8 N -0.03 3.06 0.07 5.22 5.36 0.22 0.46 117.98 132.33 3fdg s PHE 8 Ca -0.00 -0.32 0.07 0.00 -0.96 0.00 0.00 56.93 55.71 3fdg s PHE 8 Cb -0.14 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 3fdg s PHE 8 CO 0.03 -0.10 -0.16 0.34 -1.46 0.00 0.00 175.22 173.87 3fdg s ASP 9 N 0.64 3.97 0.34 6.13 2.15 -0.22 -4.50 116.67 125.18 3fdg s ASP 9 Ca -0.01 -0.44 0.25 0.00 0.43 0.00 0.00 52.55 52.79 3fdg s ASP 9 Cb -0.14 -0.66 0.66 0.00 -0.30 0.00 0.00 42.92 42.49 3fdg s ASP 9 CO 0.02 0.22 1.72 1.23 -0.17 0.00 0.00 175.17 178.19 3fdg h GLY 10 N 4.17 0.00 -5.85 2.66 0.00 -0.55 -1.88 103.07 101.62 3fdg h GLY 10 Ca -0.49 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.02 3fdg h GLY 10 CO 0.48 0.00 0.38 -1.58 0.00 0.00 0.00 176.54 175.82 3fdg s HIS 11 N -3.21 -0.49 0.07 5.60 5.65 -1.26 -4.43 115.29 117.21 3fdg s HIS 11 Ca 0.08 0.91 -0.02 0.00 0.25 0.00 0.00 55.06 56.27 3fdg s HIS 11 Cb 0.09 0.30 -0.03 0.00 -1.18 0.00 0.00 32.58 31.75 3fdg s HIS 11 CO 0.61 -0.25 0.02 0.54 -0.65 0.00 0.00 174.74 175.02 3fdg s ASN 12 N 1.89 0.40 -0.28 9.88 2.20 -0.80 -0.50 114.94 127.73 3fdg s ASN 12 Ca -0.05 -0.96 0.09 0.00 -0.94 0.00 0.00 52.86 50.99 3fdg s ASN 12 Cb -0.04 0.24 0.45 0.00 -2.00 0.00 0.00 41.25 39.90 3fdg s ASN 12 CO -0.16 -0.64 1.30 0.47 -2.94 0.00 0.00 177.10 175.13 3fdg n ASP 13 N 0.05 3.21 -0.32 3.54 8.00 0.19 -1.67 116.55 129.56 3fdg n ASP 13 Ca -0.13 -3.83 0.12 0.00 0.71 0.00 0.00 54.79 51.66 3fdg n ASP 13 Cb 0.62 -0.51 0.34 0.00 -0.02 0.00 0.00 41.12 41.55 3fdg n ASP 13 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fdg h PHE 14 N 1.44 0.95 0.00 1.24 3.57 -1.85 -1.48 116.94 120.81 3fdg h PHE 14 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3fdg h PHE 14 Cb 1.31 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3fdg h PHE 14 CO 0.88 0.30 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.16 3fdg h LEU 15 N 0.76 0.00 -1.18 0.59 3.38 -1.85 -0.54 115.31 116.47 3fdg h LEU 15 Ca 0.51 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.41 3fdg h LEU 15 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3fdg h LEU 15 CO -0.27 0.03 -0.14 0.25 0.09 0.00 0.00 178.44 178.40 3fdg h LEU 16 N 0.00 0.39 -1.08 1.67 5.85 -1.54 0.09 115.31 120.69 3fdg h LEU 16 Ca -0.00 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3fdg h LEU 16 Cb 0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3fdg h LEU 16 CO 0.00 0.56 -0.29 0.03 -0.34 0.00 0.00 178.44 178.40 3fdg h ARG 17 N 0.37 0.29 -0.02 1.25 3.08 -1.19 -0.23 114.38 117.93 3fdg h ARG 17 Ca 0.07 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.79 3fdg h ARG 17 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3fdg h ARG 17 CO 0.03 0.56 -0.91 -0.07 -1.07 0.00 0.00 179.97 178.51 3fdg h LEU 18 N 0.25 0.62 -0.47 3.04 3.38 -1.34 -2.60 115.31 118.20 3fdg h LEU 18 Ca 0.04 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 3fdg h LEU 18 Cb 0.65 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3fdg h LEU 18 CO 0.05 1.26 0.23 0.25 0.09 0.00 0.00 178.44 180.32 3fdg h LEU 19 N 0.29 0.61 -1.07 1.67 5.85 -0.62 -2.30 115.31 119.74 3fdg h LEU 19 Ca -0.08 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3fdg h LEU 19 Cb 1.54 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3fdg h LEU 19 CO 0.16 0.56 -0.30 0.03 -0.34 0.00 0.00 178.44 178.55 3fdg h ARG 20 N 0.61 0.00 -1.80 1.25 2.47 -1.05 -3.36 114.38 112.51 3fdg h ARG 20 Ca 0.16 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.40 3fdg h ARG 20 Cb 0.11 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.06 3fdg h ARG 20 CO -0.02 0.30 -1.10 -1.71 0.56 0.00 0.00 179.97 178.00 3fdg n ASN 21 N -3.50 0.32 0.26 7.04 2.85 -0.98 -4.98 115.26 116.26 3fdg n ASN 21 Ca -0.00 -2.99 0.12 0.00 -0.11 0.00 0.00 54.58 51.61 3fdg n ASN 21 Cb 0.46 -0.37 0.68 0.00 1.24 0.00 0.00 39.78 41.79 3fdg n ASN 21 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3fdg h PRO 22 N 3.29 0.00 0.00 1.20 0.13 -1.57 -2.12 132.00 132.93 3fdg h PRO 22 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3fdg h PRO 22 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3fdg h PRO 22 CO 0.46 0.14 -0.03 0.00 -0.23 0.00 0.00 178.00 178.34 3fdg h ALA 23 N 1.86 1.06 -0.36 -0.56 0.00 -1.94 -2.71 119.26 116.61 3fdg h ALA 23 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fdg h ALA 23 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fdg h ALA 23 CO 0.02 0.03 0.00 -1.71 0.00 0.00 0.00 179.25 177.59 3fdg n ASN 24 N -3.20 3.85 0.08 0.00 5.15 -0.80 -4.72 115.26 115.62 3fdg n ASN 24 Ca -0.01 -2.63 0.01 0.00 -0.60 0.00 0.00 54.58 51.35 3fdg n ASN 24 Cb 0.21 -0.47 0.32 0.00 -0.53 0.00 0.00 39.78 39.32 3fdg n ASN 24 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 3fdg h ARG 25 N 2.34 0.32 0.03 1.20 0.11 -1.53 -0.98 114.38 115.87 3fdg h ARG 25 Ca 0.00 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 60.01 3fdg h ARG 25 Cb 1.27 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 3fdg h ARG 25 CO 0.18 0.48 -0.10 1.49 0.10 0.00 0.00 179.97 182.12 3fdg h GLU 26 N 0.30 -0.19 -0.33 0.08 4.81 -1.85 0.27 114.58 117.69 3fdg h GLU 26 Ca 0.06 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3fdg h GLU 26 Cb 0.46 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3fdg h GLU 26 CO 0.03 -0.12 0.06 1.15 -0.73 0.00 0.00 179.01 179.40 3fdg h THR 27 N -0.19 1.23 -0.79 0.32 2.02 -1.82 -0.77 112.91 112.91 3fdg h THR 27 Ca 0.03 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.48 3fdg h THR 27 Cb 0.23 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 3fdg h THR 27 CO -0.09 0.26 0.47 0.40 0.37 0.00 0.00 175.52 176.94 3fdg h ILE 28 N 0.37 1.00 0.00 3.11 2.04 -0.86 0.41 117.51 123.57 3fdg h ILE 28 Ca 0.10 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3fdg h ILE 28 Cb 0.33 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3fdg h ILE 28 CO 0.00 0.15 -0.37 -0.25 0.00 0.00 0.00 178.15 177.69 3fdg h TRP 29 N 0.85 0.00 0.00 1.37 -0.00 -0.91 -2.87 115.95 114.39 3fdg h TRP 29 Ca 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 59.11 3fdg h TRP 29 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 3fdg h TRP 29 CO -0.05 0.61 -0.78 -0.07 -0.00 0.00 0.00 178.44 178.15 3fdg h LEU 30 N -1.00 0.00 0.00 0.65 4.07 -1.17 -0.13 115.31 117.73 3fdg h LEU 30 Ca -0.07 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.74 3fdg h LEU 30 Cb 0.67 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.39 3fdg h LEU 30 CO -0.04 0.61 -1.55 0.29 -1.08 0.00 0.00 178.44 176.67 3fdg n LYS 31 N -3.18 2.63 0.00 1.13 5.02 0.11 -4.48 118.16 119.40 3fdg n LYS 31 Ca -0.01 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3fdg n LYS 31 Cb 0.79 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3fdg n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fdg n GLY 32 N 2.52 -1.14 0.42 0.72 0.00 0.12 -4.80 105.19 103.03 3fdg n GLY 32 Ca -0.13 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.55 3fdg n GLY 32 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fdg n ASP 33 N -0.92 2.61 0.00 1.61 5.75 -1.26 -4.59 116.55 119.75 3fdg n ASP 33 Ca 0.00 -3.25 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 3fdg n ASP 33 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 3fdg n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fdg n GLY 34 N -1.16 0.37 3.51 6.12 0.00 -1.26 -5.00 105.19 107.76 3fdg n GLY 34 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3fdg n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fdg s THR 35 N -1.86 1.73 0.00 2.61 -4.23 -1.26 -5.11 115.64 107.51 3fdg s THR 35 Ca 0.00 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3fdg s THR 35 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3fdg s THR 35 CO 0.00 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3fdg n GLY 36 N -0.76 -2.15 0.06 3.99 0.00 -1.26 -4.69 105.19 100.38 3fdg n GLY 36 Ca -0.04 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 3fdg n GLY 36 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fdg n HIS 37 N -0.20 0.00 -4.18 1.61 8.25 -1.26 -4.89 115.22 114.55 3fdg n HIS 37 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3fdg n HIS 37 Cb 0.00 -0.70 -0.12 0.00 1.12 0.00 0.00 29.99 30.29 3fdg n HIS 37 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fdg s LEU 38 N -4.97 2.30 -0.06 2.41 1.43 -1.26 -1.54 118.68 116.99 3fdg s LEU 38 Ca -0.07 -0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 52.05 3fdg s LEU 38 Cb 0.06 -0.49 0.12 0.00 0.03 0.00 0.00 46.19 45.90 3fdg s LEU 38 CO 0.65 -0.10 1.17 1.51 0.23 0.00 0.00 176.35 179.80 3fdg s ASP 39 N -1.89 -0.14 0.16 2.29 1.47 -1.26 -4.98 116.67 112.32 3fdg s ASP 39 Ca -0.00 -0.10 -0.15 0.00 1.18 0.00 0.00 52.55 53.47 3fdg s ASP 39 Cb -0.09 0.22 0.05 0.00 -0.34 0.00 0.00 42.92 42.77 3fdg s ASP 39 CO 0.02 -0.39 1.80 0.25 0.68 0.00 0.00 175.17 177.53 3fdg h LEU 40 N 2.00 0.39 -0.77 2.11 5.85 -1.28 -0.63 115.31 122.99 3fdg h LEU 40 Ca -0.20 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3fdg h LEU 40 Cb 1.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3fdg h LEU 40 CO 0.26 0.28 0.35 -0.65 -0.34 0.00 0.00 178.44 178.34 3fdg h PRO 41 N 0.49 1.12 -0.23 5.25 0.11 -1.78 -2.46 132.00 134.50 3fdg h PRO 41 Ca 0.17 -0.18 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3fdg h PRO 41 Cb 0.02 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3fdg h PRO 41 CO -0.08 0.89 -0.31 0.00 -0.21 0.00 0.00 178.00 178.29 3fdg h ARG 42 N 1.09 0.47 -0.17 1.05 3.08 -1.87 -1.17 114.38 116.86 3fdg h ARG 42 Ca 0.26 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.16 3fdg h ARG 42 Cb 0.15 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3fdg h ARG 42 CO -0.03 0.73 -0.11 0.52 -1.07 0.00 0.00 179.97 180.01 3fdg h MET 43 N 0.41 -0.11 -0.37 0.04 2.86 -0.75 0.19 114.93 117.19 3fdg h MET 43 Ca 0.05 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3fdg h MET 43 Cb 0.75 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3fdg h MET 43 CO 0.06 -0.07 0.21 0.87 1.06 0.00 0.00 176.91 179.04 3fdg h LYS 44 N -0.12 0.43 -0.53 1.72 1.79 -1.23 0.06 116.57 118.70 3fdg h LYS 44 Ca 0.10 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 3fdg h LYS 44 Cb 0.26 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 3fdg h LYS 44 CO -0.24 0.28 0.30 1.49 -1.08 0.00 0.00 179.45 180.20 3fdg h GLU 45 N 0.44 0.57 0.00 3.15 4.81 -0.86 -2.98 114.58 119.71 3fdg h GLU 45 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3fdg h GLU 45 Cb 0.01 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3fdg h GLU 45 CO -0.07 0.38 -0.10 0.41 -0.73 0.00 0.00 179.01 178.90 3fdg n GLY 46 N -1.25 -1.46 1.86 1.92 0.00 0.64 -4.93 105.19 101.96 3fdg n GLY 46 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3fdg n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdg n GLY 47 N 1.49 0.54 3.58 -0.02 0.00 -0.56 -4.24 105.19 105.97 3fdg n GLY 47 Ca 0.07 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3fdg n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fdg s PHE 48 N -2.37 2.44 0.19 1.61 5.36 -0.10 -0.38 117.98 124.73 3fdg s PHE 48 Ca 0.01 0.44 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 3fdg s PHE 48 Cb -0.00 -4.45 0.07 0.00 -0.34 0.00 0.00 43.02 38.30 3fdg s PHE 48 CO 0.01 -1.80 1.44 0.00 -1.46 0.00 0.00 175.22 173.40 3fdg h ALA 49 N 10.32 0.63 0.00 11.12 0.00 -0.29 -3.42 119.26 137.62 3fdg h ALA 49 Ca -0.26 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3fdg h ALA 49 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3fdg h ALA 49 CO 1.18 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.73 3fdg n GLY 50 N 0.71 -1.41 0.00 0.00 0.00 -1.14 -1.40 105.19 101.96 3fdg n GLY 50 Ca -0.03 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3fdg n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdg n GLY 51 N -0.07 -1.19 3.70 -0.02 0.00 -0.65 -1.06 105.19 105.89 3fdg n GLY 51 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3fdg n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fdg s PHE 52 N -2.02 3.40 -0.36 1.61 0.08 -0.71 -1.09 117.98 118.89 3fdg s PHE 52 Ca 0.00 1.41 -0.11 0.00 0.12 0.00 0.00 56.93 58.36 3fdg s PHE 52 Cb 0.00 -3.31 0.02 0.00 -0.57 0.00 0.00 43.02 39.16 3fdg s PHE 52 CO 0.00 -0.80 0.19 -0.06 -0.10 0.00 0.00 175.22 174.45 3fdg s PHE 53 N 1.72 3.23 0.05 0.36 0.08 0.34 -1.91 117.98 121.85 3fdg s PHE 53 Ca 0.54 -0.84 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 3fdg s PHE 53 Cb -0.23 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 3fdg s PHE 53 CO 0.23 -0.59 1.12 0.00 -0.10 0.00 0.00 175.22 175.89 3fdg s ALA 54 N 1.57 3.32 -0.37 5.36 0.00 -0.67 -2.22 121.76 128.75 3fdg s ALA 54 Ca 0.03 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 3fdg s ALA 54 Cb -0.19 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3fdg s ALA 54 CO 0.07 -0.35 0.62 0.42 0.00 0.00 0.00 175.76 176.51 3fdg s ILE 55 N 0.96 4.89 -0.06 0.00 1.01 0.19 -4.51 121.20 123.68 3fdg s ILE 55 Ca 0.56 0.44 -0.00 0.00 0.00 0.00 0.00 60.65 61.65 3fdg s ILE 55 Cb -0.27 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.14 3fdg s ILE 55 CO 0.29 -0.36 -0.02 -0.47 0.00 0.00 0.00 174.94 174.38 3fdg s TYR 56 N 2.69 0.74 -0.42 3.97 5.04 -1.26 -0.16 117.35 127.95 3fdg s TYR 56 Ca 0.23 -0.22 -0.21 0.00 -2.44 0.00 0.00 57.07 54.43 3fdg s TYR 56 Cb -0.15 -0.77 0.02 0.00 0.35 0.00 0.00 41.96 41.41 3fdg s TYR 56 CO 0.16 -0.29 0.68 0.08 -1.34 0.00 0.00 175.55 174.84 3fdg s VAL 57 N 1.54 4.79 0.55 3.14 1.01 -1.26 -4.96 120.40 125.21 3fdg s VAL 57 Ca -0.01 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 3fdg s VAL 57 Cb -0.13 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 3fdg s VAL 57 CO -0.03 -0.57 1.07 -2.16 0.00 0.00 0.00 175.10 173.41 3fdg s PRO 58 N 2.93 3.43 0.65 2.72 0.04 -1.26 -5.06 135.00 138.46 3fdg s PRO 58 Ca 0.25 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 3fdg s PRO 58 Cb -0.14 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3fdg s PRO 58 CO 0.19 -0.74 1.01 -1.12 0.04 0.00 0.00 177.00 176.39 3fdg s SER 59 N -2.30 5.64 -0.50 6.66 0.01 -1.26 -5.14 113.70 116.81 3fdg s SER 59 Ca 0.67 1.04 -0.25 0.00 1.31 0.00 0.00 55.95 58.72 3fdg s SER 59 Cb -0.18 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.13 3fdg s SER 59 CO 0.30 -1.16 0.92 -2.84 0.41 0.00 0.00 173.24 170.87 3fdg s PRO 60 N -5.20 3.43 0.00 12.44 0.02 -1.26 -5.21 135.00 139.23 3fdg s PRO 60 Ca 0.56 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.53 3fdg s PRO 60 Cb -0.11 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.43 3fdg s PRO 60 CO 0.50 -1.33 0.00 0.00 -0.33 0.00 0.00 177.00 175.83 3fdg n ALA 66 N 7.27 0.00 -0.03 -1.55 0.00 -1.26 -5.18 120.51 119.76 3fdg n ALA 66 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 3fdg n ALA 66 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 3fdg n ALA 66 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3fdg h HIS 67 N 0.00 0.19 -0.55 0.00 2.07 -2.06 -2.38 115.15 112.42 3fdg h HIS 67 Ca 0.00 -0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.51 3fdg h HIS 67 Cb 0.00 -0.05 -0.04 0.00 2.57 0.00 0.00 27.41 29.89 3fdg h HIS 67 CO 0.00 0.40 0.34 0.74 -3.07 0.00 0.00 177.93 176.34 3fdg h PHE 68 N -0.07 0.63 -0.26 6.12 0.04 -2.03 -1.90 116.94 119.47 3fdg h PHE 68 Ca 0.03 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3fdg h PHE 68 Cb 0.31 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3fdg h PHE 68 CO 0.02 0.37 0.02 0.93 -0.60 0.00 0.00 178.31 179.05 3fdg h GLU 69 N 0.67 0.39 -0.24 1.51 5.08 -2.00 -2.78 114.58 117.21 3fdg h GLU 69 Ca 0.22 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 3fdg h GLU 69 Cb 0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3fdg h GLU 69 CO -0.09 0.40 -0.55 0.00 -1.00 0.00 0.00 179.01 177.76 3fdg h ALA 70 N 1.65 0.57 -0.17 3.43 0.00 -0.94 -3.18 119.26 120.62 3fdg h ALA 70 Ca 0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3fdg h ALA 70 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fdg h ALA 70 CO 0.00 0.69 -0.29 0.52 0.00 0.00 0.00 179.25 180.16 3fdg h MET 71 N 0.56 0.32 -0.00 0.00 2.86 -1.23 -2.80 114.93 114.63 3fdg h MET 71 Ca 0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fdg h MET 71 Cb 1.13 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3fdg h MET 71 CO 0.11 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.65 3fdg n MET 72 N -4.11 0.84 0.20 1.72 0.00 -1.06 -3.82 117.12 110.89 3fdg n MET 72 Ca -0.01 -0.15 0.09 0.00 0.00 0.00 0.00 57.70 57.63 3fdg n MET 72 Cb 0.41 -1.50 0.28 0.00 0.00 0.00 0.00 33.22 32.41 3fdg n MET 72 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 3fdg h ASP 73 N 0.37 0.00 -2.11 3.17 3.58 -1.48 -2.63 116.42 117.32 3fdg h ASP 73 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 3fdg h ASP 73 Cb 0.21 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 40.93 3fdg h ASP 73 CO 0.00 0.24 -0.68 0.00 -2.88 0.00 0.00 179.24 175.91 3fdg s ALA 74 N -3.33 -0.29 0.72 -0.78 0.00 -1.25 -4.55 121.76 112.28 3fdg s ALA 74 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3fdg s ALA 74 Cb 0.08 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.33 3fdg s ALA 74 CO 0.67 -1.95 1.10 -1.25 0.00 0.00 0.00 175.76 174.33 3fdg s PRO 75 N 1.79 2.78 0.36 0.00 0.04 -1.26 -4.60 135.00 134.11 3fdg s PRO 75 Ca 0.14 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 3fdg s PRO 75 Cb -0.15 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3fdg s PRO 75 CO -0.16 -1.10 1.10 -0.35 0.04 0.00 0.00 177.00 176.54 3fdg n PRO 76 N -3.05 1.61 -3.74 0.56 -0.04 -1.26 -5.09 135.00 123.99 3fdg n PRO 76 Ca 0.07 0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 3fdg n PRO 76 Cb 0.57 -2.08 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 3fdg n PRO 76 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3fdg s PHE 77 N -1.15 -0.06 -0.25 0.54 -0.12 -0.57 -4.99 117.98 111.37 3fdg s PHE 77 Ca 0.59 -0.24 -0.05 0.00 -0.05 0.00 0.00 56.93 57.18 3fdg s PHE 77 Cb -0.60 0.11 0.13 0.00 -0.63 0.00 0.00 43.02 42.03 3fdg s PHE 77 CO 0.59 -0.60 0.49 -1.83 -0.05 0.00 0.00 175.22 173.83 3fdg s GLU 78 N -3.48 0.43 0.09 1.99 -1.05 -1.26 -1.29 118.70 114.13 3fdg s GLU 78 Ca 0.01 0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 55.53 3fdg s GLU 78 Cb 0.02 0.24 -0.06 0.00 -0.44 0.00 0.00 34.13 33.89 3fdg s GLU 78 CO -0.09 -0.45 0.81 -0.51 0.95 0.00 0.00 175.26 175.97 3fdg s LEU 79 N 2.70 4.49 0.71 1.83 1.02 -0.55 -5.02 118.68 123.86 3fdg s LEU 79 Ca 0.07 1.57 -0.16 0.00 0.02 0.00 0.00 54.13 55.64 3fdg s LEU 79 Cb -0.14 -3.33 0.03 0.00 0.02 0.00 0.00 46.19 42.77 3fdg s LEU 79 CO -0.17 0.04 1.24 -2.16 0.02 0.00 0.00 176.35 175.32 3fdg s PRO 80 N -0.28 2.22 0.28 1.29 0.04 -1.26 -4.24 135.00 133.04 3fdg s PRO 80 Ca 0.40 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 3fdg s PRO 80 Cb -0.22 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3fdg s PRO 80 CO 0.25 -1.80 1.10 -0.51 0.04 0.00 0.00 177.00 176.08 3fdg s LEU 81 N -4.93 4.55 0.84 -3.56 1.43 -1.26 -4.92 118.68 110.82 3fdg s LEU 81 Ca 0.77 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 56.02 3fdg s LEU 81 Cb -0.32 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.37 3fdg s LEU 81 CO 0.44 -0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.82 3fdg s PRO 82 N -1.42 1.75 0.65 1.29 0.05 -1.26 -5.02 135.00 131.05 3fdg s PRO 82 Ca 0.45 0.60 -0.14 0.00 0.05 0.00 0.00 61.00 61.96 3fdg s PRO 82 Cb -0.32 -1.88 -0.01 0.00 0.05 0.00 0.00 34.50 32.34 3fdg s PRO 82 CO 0.41 -1.84 1.07 -1.25 0.05 0.00 0.00 177.00 175.44 3fdg s PRO 83 N -5.14 2.98 0.41 0.56 0.04 -1.26 -4.39 135.00 128.20 3fdg s PRO 83 Ca 0.62 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 3fdg s PRO 83 Cb -0.15 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3fdg s PRO 83 CO 0.54 -1.08 1.32 -0.12 0.04 0.00 0.00 177.00 177.70 3fdg n MET 84 N -2.56 2.09 -4.83 4.56 0.00 -1.26 -4.85 117.12 110.26 3fdg n MET 84 Ca 0.09 0.74 -0.33 0.00 -0.00 0.00 0.00 57.70 58.20 3fdg n MET 84 Cb 0.53 -2.43 -0.14 0.00 0.00 0.00 0.00 33.22 31.17 3fdg n MET 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3fdg s ILE 85 N -1.17 2.98 0.37 1.12 1.01 -1.26 -5.10 121.20 119.15 3fdg s ILE 85 Ca 0.59 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3fdg s ILE 85 Cb -0.51 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3fdg s ILE 85 CO 0.59 0.54 0.56 -0.13 0.00 0.00 0.00 174.94 176.50 3fdg s ARG 86 N 0.15 3.29 0.36 2.79 1.81 -1.26 -4.81 118.95 121.28 3fdg s ARG 86 Ca -0.07 -0.52 0.12 0.00 -1.72 0.00 0.00 55.73 53.54 3fdg s ARG 86 Cb -0.15 -2.67 0.92 0.00 -0.45 0.00 0.00 34.95 32.61 3fdg s ARG 86 CO 0.05 0.02 1.81 0.00 -0.68 0.00 0.00 175.30 176.50 3fdg h ALA 87 N 0.69 1.96 -0.88 2.13 0.00 -1.85 -0.92 119.26 120.38 3fdg h ALA 87 Ca -0.48 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3fdg h ALA 87 Cb 1.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3fdg h ALA 87 CO 0.59 -0.30 0.57 1.49 0.00 0.00 0.00 179.25 181.59 3fdg h GLU 88 N 0.58 1.08 0.06 0.00 4.81 -1.94 0.20 114.58 119.37 3fdg h GLU 88 Ca 0.54 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 59.45 3fdg h GLU 88 Cb 1.09 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3fdg h GLU 88 CO -0.29 0.71 -1.26 1.96 -0.73 0.00 0.00 179.01 179.41 3fdg h GLN 89 N 1.11 0.12 0.15 1.92 7.50 -1.72 -3.38 115.11 120.82 3fdg h GLN 89 Ca 0.35 -0.21 -0.29 0.00 0.50 0.00 0.00 58.65 59.00 3fdg h GLN 89 Cb 0.00 0.08 0.02 0.00 0.05 0.00 0.00 27.48 27.63 3fdg h GLN 89 CO -0.12 1.02 -1.29 0.00 -1.50 0.00 0.00 178.83 176.95 3fdg h ALA 90 N 0.78 0.03 -0.33 3.87 0.00 -0.61 -3.38 119.26 119.63 3fdg h ALA 90 Ca -0.12 -0.85 0.06 0.00 0.00 0.00 0.00 54.91 54.00 3fdg h ALA 90 Cb 1.90 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 3fdg h ALA 90 CO 0.15 0.85 -0.06 1.96 0.00 0.00 0.00 179.25 182.15 3fdg h GLN 91 N 0.13 0.02 -0.87 0.00 4.20 -0.79 0.11 115.11 117.92 3fdg h GLN 91 Ca -0.17 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.62 3fdg h GLN 91 Cb 1.99 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.71 3fdg h GLN 91 CO 0.23 0.01 0.56 -1.35 -0.67 0.00 0.00 178.83 177.61 3fdg h PRO 92 N 0.02 0.86 -0.19 1.46 0.11 -1.79 0.11 132.00 132.58 3fdg h PRO 92 Ca 0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 3fdg h PRO 92 Cb 0.24 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3fdg h PRO 92 CO -0.32 0.57 -0.25 0.28 -0.21 0.00 0.00 178.00 178.07 3fdg h VAL 93 N 0.89 1.34 -0.35 3.15 2.07 -1.53 -0.36 116.25 121.46 3fdg h VAL 93 Ca 0.39 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 3fdg h VAL 93 Cb 0.35 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3fdg h VAL 93 CO -0.16 0.44 -0.22 0.00 0.02 0.00 0.00 177.57 177.65 3fdg h ALA 94 N 0.62 0.97 -0.53 1.67 0.00 -0.48 -1.91 119.26 119.60 3fdg h ALA 94 Ca 0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3fdg h ALA 94 Cb 0.82 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fdg h ALA 94 CO 0.06 0.60 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 3fdg h LEU 95 N 0.59 0.93 -0.21 0.00 3.38 -0.77 -0.33 115.31 118.90 3fdg h LEU 95 Ca 0.09 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3fdg h LEU 95 Cb 0.70 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3fdg h LEU 95 CO 0.05 1.02 -0.13 0.00 0.09 0.00 0.00 178.44 179.48 3fdg h ALA 96 N 1.07 0.04 -0.29 1.53 0.00 -0.67 0.16 119.26 121.10 3fdg h ALA 96 Ca 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3fdg h ALA 96 Cb 0.58 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3fdg h ALA 96 CO 0.04 -0.55 0.03 0.52 0.00 0.00 0.00 179.25 179.29 3fdg h MET 97 N -0.12 0.48 -0.86 0.00 2.86 -1.25 -0.01 114.93 116.04 3fdg h MET 97 Ca 0.12 -0.14 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 3fdg h MET 97 Cb 0.30 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 3fdg h MET 97 CO -0.29 0.60 0.51 0.00 1.06 0.00 0.00 176.91 178.80 3fdg h ALA 98 N 0.86 1.23 -0.81 6.32 0.00 -0.97 -1.20 119.26 124.68 3fdg h ALA 98 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fdg h ALA 98 Cb 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3fdg h ALA 98 CO 0.01 0.16 0.37 0.78 0.00 0.00 0.00 179.25 180.57 3fdg h GLY 99 N 0.86 1.26 1.70 0.00 0.00 -0.30 -2.21 103.07 104.37 3fdg h GLY 99 Ca 0.41 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3fdg h GLY 99 CO -0.23 0.60 -0.19 0.45 0.00 0.00 0.00 176.54 177.17 3fdg h HIS 100 N 1.16 0.39 -0.54 5.60 3.86 -0.17 -1.80 115.15 123.66 3fdg h HIS 100 Ca 0.28 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3fdg h HIS 100 Cb 0.14 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3fdg h HIS 100 CO 0.02 0.54 -0.06 1.25 0.86 0.00 0.00 177.93 180.53 3fdg h LEU 101 N 0.33 0.98 -0.70 2.43 5.85 -0.68 0.20 115.31 123.73 3fdg h LEU 101 Ca 0.06 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 3fdg h LEU 101 Cb 0.53 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3fdg h LEU 101 CO 0.03 1.08 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.89 3fdg h LEU 102 N 0.86 0.74 -0.87 2.25 4.07 -1.25 -2.67 115.31 118.44 3fdg h LEU 102 Ca 0.14 -0.28 0.02 0.00 0.08 0.00 0.00 57.88 57.85 3fdg h LEU 102 Cb 0.61 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 3fdg h LEU 102 CO 0.04 0.97 0.57 -0.25 -1.08 0.00 0.00 178.44 178.69 3fdg h TRP 103 N 0.63 1.08 -0.87 1.13 7.01 -0.95 -1.81 115.95 122.17 3fdg h TRP 103 Ca 0.08 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.20 3fdg h TRP 103 Cb 0.76 -0.36 -0.07 0.00 -2.10 0.00 0.00 29.16 27.39 3fdg h TRP 103 CO 0.04 0.66 0.51 0.52 -2.79 0.00 0.00 178.44 177.38 3fdg h MET 104 N 1.14 0.85 -0.35 2.65 2.86 -0.62 0.40 114.93 121.87 3fdg h MET 104 Ca 0.33 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.75 3fdg h MET 104 Cb -0.08 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 3fdg h MET 104 CO -0.09 0.56 -0.43 1.49 1.06 0.00 0.00 176.91 179.50 3fdg h GLU 105 N 0.87 0.91 -0.33 1.72 4.81 -1.31 -1.87 114.58 119.39 3fdg h GLU 105 Ca 0.41 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3fdg h GLU 105 Cb 0.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3fdg h GLU 105 CO -0.23 1.16 0.14 0.00 -0.73 0.00 0.00 179.01 179.35 3fdg h ARG 106 N 0.71 0.48 0.00 1.92 3.08 -0.51 -3.08 114.38 117.00 3fdg h ARG 106 Ca 0.04 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3fdg h ARG 106 Cb 1.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3fdg h ARG 106 CO 0.10 0.47 -0.27 0.00 -1.07 0.00 0.00 179.97 179.21 3fdg h ALA 107 N 0.99 1.32 -0.00 0.04 0.00 -0.15 -2.92 119.26 118.53 3fdg h ALA 107 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fdg h ALA 107 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fdg h ALA 107 CO -0.01 0.33 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 3fdg n ALA 108 N -2.38 3.32 -3.55 0.00 0.00 -0.71 -4.96 120.51 112.23 3fdg n ALA 108 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 3fdg n ALA 108 Cb 0.35 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3fdg n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fdg n ARG 109 N -1.29 -2.92 -0.26 0.00 5.12 -1.10 -2.50 116.66 113.72 3fdg n ARG 109 Ca 0.08 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 3fdg n ARG 109 Cb 0.34 -5.03 0.00 0.00 -1.16 0.00 0.00 32.46 26.61 3fdg n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fdg n GLY 110 N -1.50 1.05 0.37 -0.13 0.00 -1.26 -4.89 105.19 98.83 3fdg n GLY 110 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3fdg n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fdg n ARG 111 N -2.00 1.04 -3.86 1.61 1.74 -1.04 -4.87 116.66 109.28 3fdg n ARG 111 Ca 0.00 -0.75 -0.12 0.00 -0.77 0.00 0.00 57.85 56.21 3fdg n ARG 111 Cb 0.00 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 3fdg n ARG 111 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3fdg s PHE 112 N -2.47 -0.02 -0.02 -1.55 5.36 -1.26 -1.65 117.98 116.37 3fdg s PHE 112 Ca 0.22 0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3fdg s PHE 112 Cb 0.19 0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.90 3fdg s PHE 112 CO 0.53 -0.02 0.03 0.21 -1.46 0.00 0.00 175.22 174.52 3fdg s LYS 113 N -0.01 -0.04 -0.22 10.12 2.20 0.54 -4.71 119.74 127.62 3fdg s LYS 113 Ca -0.00 0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 3fdg s LYS 113 Cb -0.00 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 3fdg s LYS 113 CO 0.00 -0.18 1.10 0.08 -0.36 0.00 0.00 175.35 176.00 3fdg s VAL 114 N 1.13 4.56 -0.04 4.02 1.01 -1.26 -0.64 120.40 129.19 3fdg s VAL 114 Ca -0.08 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 3fdg s VAL 114 Cb -0.13 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3fdg s VAL 114 CO -0.03 -0.19 0.03 0.00 0.00 0.00 0.00 175.10 174.91 3fdg n ARG 116 N 1.62 3.60 -4.11 0.00 1.74 -1.26 -4.58 116.66 113.66 3fdg n ARG 116 Ca -0.16 -0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 56.57 3fdg n ARG 116 Cb 0.53 -0.79 -0.10 0.00 -1.02 0.00 0.00 32.46 31.08 3fdg n ARG 116 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3fdg s THR 117 N -0.89 0.48 0.24 0.55 -4.23 -1.26 -5.04 115.64 105.50 3fdg s THR 117 Ca 0.02 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3fdg s THR 117 Cb 0.02 -1.36 0.19 0.00 1.34 0.00 0.00 72.50 72.70 3fdg s THR 117 CO 0.09 -0.81 1.84 0.00 -0.54 0.00 0.00 174.62 175.20 3fdg h ALA 118 N 3.39 1.16 -0.71 3.99 0.00 -1.89 -2.12 119.26 123.08 3fdg h ALA 118 Ca -0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fdg h ALA 118 Cb 1.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3fdg h ALA 118 CO 0.60 0.64 0.43 0.00 0.00 0.00 0.00 179.25 180.91 3fdg h ALA 119 N 1.28 1.42 -0.11 0.00 0.00 -1.97 -0.04 119.26 119.84 3fdg h ALA 119 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fdg h ALA 119 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fdg h ALA 119 CO -0.04 0.50 0.03 0.93 0.00 0.00 0.00 179.25 180.68 3fdg h GLU 120 N 0.97 0.18 -0.33 0.00 5.08 -1.82 0.18 114.58 118.85 3fdg h GLU 120 Ca 0.26 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 3fdg h GLU 120 Cb -0.04 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 3fdg h GLU 120 CO -0.05 0.35 -0.06 0.28 -1.00 0.00 0.00 179.01 178.54 3fdg h VAL 121 N -0.02 0.70 -0.44 3.13 2.07 -1.13 -0.12 116.25 120.44 3fdg h VAL 121 Ca 0.04 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fdg h VAL 121 Cb 0.25 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3fdg h VAL 121 CO 0.00 0.00 0.11 0.03 0.02 0.00 0.00 177.57 177.73 3fdg h ARG 122 N 0.03 0.66 -0.48 1.57 3.08 -0.71 -1.94 114.38 116.58 3fdg h ARG 122 Ca 0.16 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3fdg h ARG 122 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3fdg h ARG 122 CO -0.32 0.60 -0.04 1.03 -1.07 0.00 0.00 179.97 180.17 3fdg h SER 123 N 0.64 0.88 -0.77 7.04 0.87 -0.56 -1.63 113.55 120.02 3fdg h SER 123 Ca 0.15 -0.33 0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3fdg h SER 123 Cb 0.24 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 3fdg h SER 123 CO -0.00 1.00 0.40 0.00 -0.53 0.00 0.00 176.83 177.70 3fdg h HIS 125 N 0.66 0.15 -0.59 0.00 6.17 -0.98 0.98 115.15 121.55 3fdg h HIS 125 Ca 0.39 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.48 3fdg h HIS 125 Cb 0.42 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.27 3fdg h HIS 125 CO -0.09 0.12 0.39 0.00 0.71 0.00 0.00 177.93 179.06 3fdg h ALA 126 N 1.02 1.60 -0.01 5.26 0.00 -1.01 -2.93 119.26 123.18 3fdg h ALA 126 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fdg h ALA 126 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3fdg h ALA 126 CO -0.01 0.37 -0.33 -0.25 0.00 0.00 0.00 179.25 179.03 3fdg n ASP 127 N -4.45 1.06 -1.41 0.00 8.00 -0.55 -4.95 116.55 114.24 3fdg n ASP 127 Ca 0.06 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.56 3fdg n ASP 127 Cb 0.06 0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 3fdg n ASP 127 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fdg n GLY 128 N 1.37 0.00 3.71 0.44 0.00 0.12 -5.01 105.19 105.84 3fdg n GLY 128 Ca 0.11 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 3fdg n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fdg s ILE 129 N -2.62 5.31 0.18 -0.61 1.01 0.03 -5.03 121.20 119.48 3fdg s ILE 129 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.82 3fdg s ILE 129 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3fdg s ILE 129 CO 0.00 0.37 1.45 -0.69 0.00 0.00 0.00 174.94 176.07 3fdg s VAL 130 N 0.61 2.90 -0.01 2.92 1.01 -0.66 -4.31 120.40 122.86 3fdg s VAL 130 Ca 0.15 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 3fdg s VAL 130 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3fdg s VAL 130 CO 0.03 0.08 0.15 -0.94 0.00 0.00 0.00 175.10 174.42 3fdg s SER 131 N 0.79 6.13 -0.03 3.32 1.04 -0.49 -0.34 113.70 124.12 3fdg s SER 131 Ca 0.64 0.28 0.03 0.00 0.48 0.00 0.00 55.95 57.37 3fdg s SER 131 Cb -0.40 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 63.84 3fdg s SER 131 CO 0.35 0.27 -0.12 -0.83 0.98 0.00 0.00 173.24 173.89 3fdg s GLY 132 N -1.87 0.67 -0.17 7.32 0.00 0.19 -1.64 107.32 111.81 3fdg s GLY 132 Ca 0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 3fdg s GLY 132 CO 0.17 -0.17 0.01 -0.42 0.00 0.00 0.00 173.10 172.69 3fdg s ILE 133 N 0.16 4.31 -0.23 0.90 -1.09 -0.25 -0.42 121.20 124.58 3fdg s ILE 133 Ca -0.04 -0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 57.89 3fdg s ILE 133 Cb -0.10 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3fdg s ILE 133 CO 0.01 0.47 1.23 -0.32 -1.23 0.00 0.00 174.94 175.10 3fdg s MET 134 N 0.45 4.12 -0.01 2.79 -2.45 -1.26 -0.50 119.30 122.43 3fdg s MET 134 Ca -0.00 1.44 0.07 0.00 -1.25 0.00 0.00 55.69 55.95 3fdg s MET 134 Cb -0.13 -3.78 -0.02 0.00 1.25 0.00 0.00 34.83 32.15 3fdg s MET 134 CO 0.02 -0.84 -0.23 -1.58 1.05 0.00 0.00 175.02 173.44 3fdg s HIS 135 N 3.75 2.03 -0.16 4.11 2.46 -0.94 -1.41 115.29 125.13 3fdg s HIS 135 Ca 0.53 -0.38 -0.00 0.00 0.47 0.00 0.00 55.06 55.67 3fdg s HIS 135 Cb -0.18 -1.30 -0.00 0.00 -0.13 0.00 0.00 32.58 30.96 3fdg s HIS 135 CO 0.16 -0.03 -0.15 1.41 -2.47 0.00 0.00 174.74 173.67 3fdg s MET 136 N -0.58 3.22 -0.66 2.88 1.75 -0.76 0.55 119.30 125.71 3fdg s MET 136 Ca 0.09 -0.74 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 3fdg s MET 136 Cb -0.09 -2.65 0.17 0.00 2.84 0.00 0.00 34.83 35.10 3fdg s MET 136 CO -0.01 -0.01 0.56 -2.00 -0.65 0.00 0.00 175.02 172.92 3fdg s GLU 137 N 0.88 3.05 0.00 4.11 2.12 0.78 -0.69 118.70 128.95 3fdg s GLU 137 Ca -0.04 -2.19 0.00 0.00 0.36 0.00 0.00 54.97 53.11 3fdg s GLU 137 Cb -0.15 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.07 3fdg s GLU 137 CO -0.01 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 3fdg n GLY 138 N 4.32 0.89 2.08 -1.50 0.00 0.26 -4.39 105.19 106.85 3fdg n GLY 138 Ca 0.03 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 3fdg n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdg n ALA 139 N 2.35 5.27 -0.14 4.61 0.00 -0.73 -4.65 120.51 127.23 3fdg n ALA 139 Ca 0.00 -2.81 0.12 0.00 0.00 0.00 0.00 53.44 50.74 3fdg n ALA 139 Cb 0.00 -1.34 0.46 0.00 0.00 0.00 0.00 19.45 18.57 3fdg n ALA 139 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3fdg h GLU 140 N 1.33 0.49 0.00 0.00 3.07 -1.87 -0.40 114.58 117.20 3fdg h GLU 140 Ca 0.52 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3fdg h GLU 140 Cb 2.65 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.45 3fdg h GLU 140 CO 0.96 0.32 0.00 0.00 -1.40 0.00 0.00 179.01 178.90 3fdg n ALA 141 N -2.50 2.33 -3.26 3.43 0.00 -1.26 -2.90 120.51 116.35 3fdg n ALA 141 Ca 0.12 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3fdg n ALA 141 Cb 0.39 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 3fdg n ALA 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fdg s ILE 142 N -2.06 3.73 0.71 0.00 1.01 -0.16 -4.76 121.20 119.67 3fdg s ILE 142 Ca 0.33 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3fdg s ILE 142 Cb 0.16 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3fdg s ILE 142 CO 0.27 0.42 1.12 -0.83 0.00 0.00 0.00 174.94 175.91 3fdg s GLY 143 N 1.28 2.00 0.55 6.18 0.00 -1.26 -4.84 107.32 111.22 3fdg s GLY 143 Ca 0.04 0.50 0.29 0.00 0.00 0.00 0.00 44.72 45.54 3fdg s GLY 143 CO 0.00 0.86 1.92 0.00 0.00 0.00 0.00 173.10 175.88 3fdg h ALA 144 N -0.46 2.61 0.00 3.20 0.00 -1.95 0.10 119.26 122.76 3fdg h ALA 144 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fdg h ALA 144 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fdg h ALA 144 CO 0.52 -0.89 0.00 0.38 0.00 0.00 0.00 179.25 179.26 3fdg h ASP 145 N 0.00 0.00 0.00 0.00 2.03 -1.98 -3.47 116.42 113.00 3fdg h ASP 145 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 3fdg h ASP 145 Cb 1.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 3fdg h ASP 145 CO -0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 3fdg n LEU 146 N -2.79 0.46 -0.25 0.15 4.77 0.36 -4.90 117.00 114.80 3fdg n LEU 146 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3fdg n LEU 146 Cb 0.23 -1.17 0.05 0.00 -2.33 0.00 0.00 43.42 40.20 3fdg n LEU 146 CO 0.23 -0.38 1.15 0.44 -1.33 0.00 0.00 177.39 177.50 3fdg h ASP 147 N 0.00 0.81 0.65 -1.43 5.19 -1.91 -1.25 116.42 118.48 3fdg h ASP 147 Ca 0.00 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3fdg h ASP 147 Cb 0.30 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3fdg h ASP 147 CO 0.00 0.60 -0.18 0.00 -3.12 0.00 0.00 179.24 176.54 3fdg h ALA 148 N 1.24 1.14 -0.61 3.45 0.00 -1.89 -2.62 119.26 119.97 3fdg h ALA 148 Ca 0.25 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3fdg h ALA 148 Cb -0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3fdg h ALA 148 CO -0.05 0.22 0.12 1.25 0.00 0.00 0.00 179.25 180.79 3fdg h LEU 149 N 0.00 -0.02 -0.75 0.00 5.85 -1.57 0.11 115.31 118.93 3fdg h LEU 149 Ca -0.00 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3fdg h LEU 149 Cb 0.55 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3fdg h LEU 149 CO 0.02 -0.01 0.13 0.45 -0.34 0.00 0.00 178.44 178.69 3fdg h HIS 150 N 0.25 1.13 0.18 1.25 3.86 -1.44 -0.86 115.15 119.52 3fdg h HIS 150 Ca 0.32 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3fdg h HIS 150 Cb 0.49 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3fdg h HIS 150 CO -0.26 0.94 -0.09 -0.07 0.86 0.00 0.00 177.93 179.32 3fdg h LEU 151 N 1.01 -0.20 -1.17 2.43 3.38 -1.29 -2.24 115.31 117.23 3fdg h LEU 151 Ca 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3fdg h LEU 151 Cb 0.41 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3fdg h LEU 151 CO 0.01 -0.13 0.36 -0.26 0.09 0.00 0.00 178.44 178.51 3fdg h PHE 152 N -0.26 0.91 -0.80 1.13 0.04 -0.70 -1.98 116.94 115.28 3fdg h PHE 152 Ca -0.02 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 3fdg h PHE 152 Cb 0.20 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 3fdg h PHE 152 CO -0.06 0.64 0.38 1.25 -0.60 0.00 0.00 178.31 179.93 3fdg h HIS 153 N 0.93 1.16 -0.37 -0.55 2.76 -1.04 -0.91 115.15 117.13 3fdg h HIS 153 Ca 0.24 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3fdg h HIS 153 Cb 0.04 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3fdg h HIS 153 CO 0.01 0.84 0.11 0.77 -1.30 0.00 0.00 177.93 178.36 3fdg h SER 154 N 1.14 0.49 0.24 3.26 0.02 -0.78 -1.69 113.55 116.22 3fdg h SER 154 Ca 0.28 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3fdg h SER 154 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3fdg h SER 154 CO -0.03 0.48 -0.13 0.00 -1.14 0.00 0.00 176.83 176.01 3fdg n LEU 155 N -4.36 0.75 0.00 5.07 -0.00 -0.65 -4.91 117.00 112.91 3fdg n LEU 155 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 3fdg n LEU 155 Cb 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 3fdg n LEU 155 CO 0.37 0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.51 3fdg n GLY 156 N 1.26 0.26 3.71 1.47 0.00 -0.63 -5.10 105.19 106.16 3fdg n GLY 156 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fdg n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fdg s LEU 157 N 0.00 4.36 0.00 0.99 2.96 -0.44 -4.33 118.68 122.22 3fdg s LEU 157 Ca 0.00 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 3fdg s LEU 157 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3fdg s LEU 157 CO 0.00 -0.77 0.42 0.54 -1.32 0.00 0.00 176.35 175.23 3fdg n ARG 158 N 4.48 0.16 -3.72 1.98 5.12 -0.50 -4.48 116.66 119.69 3fdg n ARG 158 Ca 0.13 -0.51 -0.13 0.00 -1.93 0.00 0.00 57.85 55.41 3fdg n ARG 158 Cb 0.41 -0.76 -0.10 0.00 -1.16 0.00 0.00 32.46 30.85 3fdg n ARG 158 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3fdg s SER 159 N -0.17 -0.44 -0.17 0.55 0.15 -1.18 -1.40 113.70 111.04 3fdg s SER 159 Ca 0.00 0.82 -0.08 0.00 0.70 0.00 0.00 55.95 57.38 3fdg s SER 159 Cb 0.00 0.84 0.06 0.00 -1.71 0.00 0.00 66.02 65.21 3fdg s SER 159 CO 0.00 -0.19 0.39 -0.22 1.20 0.00 0.00 173.24 174.43 3fdg s LEU 160 N 0.07 -0.15 -0.24 3.45 2.96 0.33 -1.82 118.68 123.27 3fdg s LEU 160 Ca -0.01 0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 54.59 3fdg s LEU 160 Cb -0.03 1.28 -0.03 0.00 0.50 0.00 0.00 46.19 47.91 3fdg s LEU 160 CO 0.01 -0.20 0.48 -0.83 -1.32 0.00 0.00 176.35 174.49 3fdg s GLY 161 N 1.63 1.92 0.51 7.98 0.00 0.13 -0.82 107.32 118.68 3fdg s GLY 161 Ca -0.08 -0.59 0.18 0.00 0.00 0.00 0.00 44.72 44.23 3fdg s GLY 161 CO -0.12 1.12 2.12 -2.55 0.00 0.00 0.00 173.10 173.67 3fdg h PRO 162 N 7.87 0.00 -5.06 2.90 0.11 -1.88 0.79 132.00 136.73 3fdg h PRO 162 Ca -0.31 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.45 3fdg h PRO 162 Cb 1.15 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.06 3fdg h PRO 162 CO 0.71 0.05 -0.75 0.14 -0.21 0.00 0.00 178.00 177.94 3fdg s VAL 163 N -4.85 0.97 0.00 3.15 -7.23 -1.26 -1.77 120.40 109.40 3fdg s VAL 163 Ca -0.05 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3fdg s VAL 163 Cb 0.16 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.93 3fdg s VAL 163 CO 0.65 -0.42 0.00 1.87 -0.31 0.00 0.00 175.10 176.90 3fdg n TRP 164 N 0.91 -0.10 -2.66 2.82 -0.00 -1.26 -4.06 117.44 113.08 3fdg n TRP 164 Ca -0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 56.88 3fdg n TRP 164 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 3fdg n TRP 164 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 3fdg n SER 165 N -0.10 5.30 0.00 5.87 7.64 -1.26 -3.64 113.62 127.43 3fdg n SER 165 Ca 0.00 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.78 3fdg n SER 165 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 3fdg n SER 165 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3fdg n ARG 166 N 4.08 0.00 -2.05 1.43 0.63 -1.26 -4.44 116.66 115.05 3fdg n ARG 166 Ca 0.36 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.90 3fdg n ARG 166 Cb 0.38 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.29 3fdg n ARG 166 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3fdg s PRO 167 N -0.27 3.86 0.35 -0.14 0.04 -1.26 -3.97 135.00 133.60 3fdg s PRO 167 Ca 0.00 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3fdg s PRO 167 Cb 0.00 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 3fdg s PRO 167 CO 0.00 -0.57 0.12 0.95 0.04 0.00 0.00 177.00 177.54 3fdg s THR 168 N -1.30 0.65 -1.23 1.26 -4.23 -0.45 -4.32 115.64 106.02 3fdg s THR 168 Ca 0.59 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.23 3fdg s THR 168 Cb -0.37 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.12 3fdg s THR 168 CO 0.47 0.00 1.38 1.33 -0.54 0.00 0.00 174.62 177.26 3fdg n VAL 169 N -0.73 0.86 -0.02 2.29 0.24 -1.26 -3.17 118.33 116.54 3fdg n VAL 169 Ca -0.03 0.22 0.06 0.00 -2.04 0.00 0.00 64.34 62.55 3fdg n VAL 169 Cb 0.65 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 31.88 3fdg n VAL 169 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3fdg n PHE 170 N -1.39 0.10 -3.09 6.34 3.72 -1.26 -4.34 117.46 117.55 3fdg n PHE 170 Ca 0.05 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3fdg n PHE 170 Cb 0.13 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3fdg n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fdg n GLY 171 N 1.36 -0.35 2.95 1.37 0.00 -1.19 -0.81 105.19 108.52 3fdg n GLY 171 Ca -0.10 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 3fdg n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fdg s HIS 172 N -2.94 0.86 0.49 1.61 3.76 -1.26 -1.33 115.29 116.48 3fdg s HIS 172 Ca 0.00 -0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 54.64 3fdg s HIS 172 Cb 0.00 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 3fdg s HIS 172 CO 0.00 -0.15 0.76 0.20 -0.85 0.00 0.00 174.74 174.71 3fdg s GLY 173 N 0.51 1.53 0.31 -2.22 0.00 -1.24 -2.59 107.32 103.62 3fdg s GLY 173 Ca -0.08 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 3fdg s GLY 173 CO 0.01 -0.56 0.99 -1.34 0.00 0.00 0.00 173.10 172.20 3fdg s VAL 174 N -2.72 3.96 0.52 1.40 -7.23 -0.02 -4.51 120.40 111.81 3fdg s VAL 174 Ca 0.49 1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 62.21 3fdg s VAL 174 Cb -0.10 -4.03 -0.07 0.00 0.56 0.00 0.00 36.38 32.74 3fdg s VAL 174 CO 0.42 0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 174.40 3fdg s PRO 175 N -1.79 3.52 -0.37 4.82 0.04 -1.26 -4.50 135.00 135.46 3fdg s PRO 175 Ca 0.48 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 3fdg s PRO 175 Cb -0.24 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3fdg s PRO 175 CO 0.30 -0.69 1.80 -0.06 0.04 0.00 0.00 177.00 178.39 3fdg s PHE 176 N -1.87 1.81 -0.04 0.56 0.08 -1.26 -4.74 117.98 112.52 3fdg s PHE 176 Ca 0.70 0.66 -0.07 0.00 0.12 0.00 0.00 56.93 58.35 3fdg s PHE 176 Cb -0.21 -4.12 0.01 0.00 -0.57 0.00 0.00 43.02 38.13 3fdg s PHE 176 CO 0.24 -2.82 0.17 0.50 -0.10 0.00 0.00 175.22 173.21 3fdg s ARG 177 N 5.83 0.32 -0.13 0.44 3.52 -1.26 -1.49 118.95 126.19 3fdg s ARG 177 Ca 0.78 -0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 56.31 3fdg s ARG 177 Cb -0.21 0.14 0.05 0.00 -1.56 0.00 0.00 34.95 33.38 3fdg s ARG 177 CO 0.32 -0.06 0.30 0.12 -0.81 0.00 0.00 175.30 175.17 3fdg s PHE 178 N -0.48 -0.43 0.51 5.12 5.36 -0.41 -2.19 117.98 125.45 3fdg s PHE 178 Ca -0.06 0.97 -0.11 0.00 -0.96 0.00 0.00 56.93 56.77 3fdg s PHE 178 Cb -0.04 0.12 -0.06 0.00 -0.34 0.00 0.00 43.02 42.70 3fdg s PHE 178 CO 0.01 -0.28 0.90 -1.25 -1.46 0.00 0.00 175.22 173.14 3fdg s PRO 179 N 1.39 3.73 0.00 10.12 0.04 -1.26 -1.51 135.00 147.50 3fdg s PRO 179 Ca -0.09 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3fdg s PRO 179 Cb -0.10 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3fdg s PRO 179 CO -0.10 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.07 3fdg n GLY 180 N -1.96 0.85 3.76 0.56 0.00 -0.33 -4.95 105.19 103.12 3fdg n GLY 180 Ca 0.04 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3fdg n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fdg s SER 181 N 0.00 5.67 0.00 1.61 0.15 -1.26 -3.33 113.70 116.54 3fdg s SER 181 Ca 0.00 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.22 3fdg s SER 181 Cb 0.00 -2.60 0.96 0.00 -1.71 0.00 0.00 66.02 62.67 3fdg s SER 181 CO 0.00 -1.26 1.51 -0.81 1.20 0.00 0.00 173.24 173.88 3fdg n PRO 182 N -1.01 0.36 -2.45 5.44 -0.04 -1.26 -4.38 135.00 131.66 3fdg n PRO 182 Ca 0.10 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 3fdg n PRO 182 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3fdg n PRO 182 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3fdg n ASP 183 N -1.19 4.82 -0.00 3.54 2.03 -1.26 -0.42 116.55 124.08 3fdg n ASP 183 Ca 0.10 -2.96 0.06 0.00 0.52 0.00 0.00 54.79 52.52 3fdg n ASP 183 Cb 0.11 -1.63 -0.07 0.00 -0.72 0.00 0.00 41.12 38.81 3fdg n ASP 183 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3fdg n THR 184 N 5.03 0.00 -3.02 5.18 5.66 -1.26 -4.94 114.28 120.92 3fdg n THR 184 Ca 0.45 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 3fdg n THR 184 Cb 0.42 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 3fdg n THR 184 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3fdg n GLY 185 N 1.32 1.37 3.83 1.09 0.00 -1.26 -4.99 105.19 106.54 3fdg n GLY 185 Ca 0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 3fdg n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fdg s GLU 186 N -0.24 2.46 0.00 1.61 2.02 -1.26 -4.56 118.70 118.73 3fdg s GLU 186 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.63 3fdg s GLU 186 Cb 0.00 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.27 3fdg s GLU 186 CO 0.00 -1.36 0.00 0.41 0.02 0.00 0.00 175.26 174.33 3fdg n GLY 187 N -2.34 -0.58 3.77 -1.39 0.00 -1.26 -4.25 105.19 99.14 3fdg n GLY 187 Ca 0.07 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3fdg n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fdg s LEU 188 N 0.00 4.21 1.12 0.99 1.43 -1.26 -4.37 118.68 120.79 3fdg s LEU 188 Ca 0.00 2.50 -0.17 0.00 -1.03 0.00 0.00 54.13 55.42 3fdg s LEU 188 Cb 0.00 -3.96 0.25 0.00 0.03 0.00 0.00 46.19 42.51 3fdg s LEU 188 CO 0.00 -0.76 1.14 0.42 0.23 0.00 0.00 176.35 177.38 3fdg s THR 189 N -1.33 1.75 0.26 5.49 -4.23 0.01 -4.84 115.64 112.75 3fdg s THR 189 Ca 0.57 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 3fdg s THR 189 Cb -0.34 -2.58 0.26 0.00 1.34 0.00 0.00 72.50 71.17 3fdg s THR 189 CO 0.44 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.33 3fdg h GLU 190 N -2.26 1.18 -0.67 3.99 4.22 -1.88 -1.05 114.58 118.11 3fdg h GLU 190 Ca -0.47 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 58.88 3fdg h GLU 190 Cb 1.29 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3fdg h GLU 190 CO 0.40 0.78 0.34 0.00 -2.18 0.00 0.00 179.01 178.36 3fdg h ALA 191 N 1.41 1.34 -0.34 2.92 0.00 -1.88 -2.05 119.26 120.66 3fdg h ALA 191 Ca 0.40 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3fdg h ALA 191 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3fdg h ALA 191 CO -0.14 0.53 -0.14 0.78 0.00 0.00 0.00 179.25 180.28 3fdg h GLY 192 N 1.01 0.65 1.42 0.00 0.00 -1.33 0.30 103.07 105.11 3fdg h GLY 192 Ca 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3fdg h GLY 192 CO -0.03 0.44 -0.40 3.21 0.00 0.00 0.00 176.54 179.76 3fdg h ARG 193 N 0.55 0.64 -0.22 4.80 3.08 -0.71 -1.83 114.38 120.70 3fdg h ARG 193 Ca 0.10 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.71 3fdg h ARG 193 Cb 0.56 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3fdg h ARG 193 CO 0.04 0.93 -0.32 0.00 -1.07 0.00 0.00 179.97 179.55 3fdg h ARG 194 N 0.53 0.46 -0.46 0.04 3.08 -1.06 -2.32 114.38 114.64 3fdg h ARG 194 Ca 0.04 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 3fdg h ARG 194 Cb 0.92 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3fdg h ARG 194 CO 0.08 0.73 0.02 1.25 -1.07 0.00 0.00 179.97 180.98 3fdg h LEU 195 N 0.39 0.78 -0.14 3.04 5.85 -0.55 -1.03 115.31 123.65 3fdg h LEU 195 Ca 0.05 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3fdg h LEU 195 Cb 0.76 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3fdg h LEU 195 CO 0.06 0.88 0.08 0.58 -0.34 0.00 0.00 178.44 179.71 3fdg h VAL 196 N 0.65 1.08 -0.73 1.05 2.07 -1.21 -0.11 116.25 119.05 3fdg h VAL 196 Ca 0.13 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3fdg h VAL 196 Cb 0.47 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3fdg h VAL 196 CO 0.02 0.08 0.41 0.00 0.02 0.00 0.00 177.57 178.10 3fdg h ALA 197 N 0.99 1.00 -0.08 1.67 0.00 -1.14 -1.22 119.26 120.49 3fdg h ALA 197 Ca 0.05 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3fdg h ALA 197 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fdg h ALA 197 CO -0.01 0.08 -0.76 1.49 0.00 0.00 0.00 179.25 180.05 3fdg h GLU 198 N 0.74 0.45 -0.66 0.00 4.57 -0.99 -2.05 114.58 116.64 3fdg h GLU 198 Ca 0.33 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3fdg h GLU 198 Cb 0.24 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3fdg h GLU 198 CO -0.20 1.02 0.36 0.00 -1.18 0.00 0.00 179.01 179.01 3fdg h ASN 200 N 0.91 0.68 -0.29 0.00 2.35 -1.06 0.16 115.58 118.33 3fdg h ASN 200 Ca 0.23 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3fdg h ASN 200 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3fdg h ASN 200 CO -0.04 0.43 -0.24 -0.09 -1.65 0.00 0.00 177.43 175.84 3fdg h ARG 201 N 0.81 0.68 0.00 0.81 2.43 -1.01 -3.02 114.38 115.08 3fdg h ARG 201 Ca 0.35 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3fdg h ARG 201 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3fdg h ARG 201 CO -0.19 0.94 0.00 1.28 -1.51 0.00 0.00 179.97 180.49 3fdg n LEU 202 N -4.31 0.27 -3.13 3.80 4.77 -0.34 -4.93 117.00 113.14 3fdg n LEU 202 Ca -0.04 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.29 3fdg n LEU 202 Cb 0.44 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3fdg n LEU 202 CO 0.44 -0.09 0.17 0.29 -1.33 0.00 0.00 177.39 176.86 3fdg n LYS 203 N -1.76 -6.38 -3.48 3.23 5.02 0.45 -5.01 118.16 110.23 3fdg n LYS 203 Ca 0.06 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.70 3fdg n LYS 203 Cb 0.35 -5.40 -0.07 0.00 -0.02 0.00 0.00 35.03 29.89 3fdg n LYS 203 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fdg s ILE 204 N -3.29 5.26 0.09 -0.18 1.01 -0.49 -4.69 121.20 118.92 3fdg s ILE 204 Ca 0.30 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 61.23 3fdg s ILE 204 Cb -0.13 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 3fdg s ILE 204 CO 0.63 0.32 1.21 -0.32 0.00 0.00 0.00 174.94 176.78 3fdg s MET 205 N 0.90 4.44 0.10 2.79 -2.45 -0.49 -4.45 119.30 120.13 3fdg s MET 205 Ca 0.17 1.82 -0.26 0.00 -1.25 0.00 0.00 55.69 56.16 3fdg s MET 205 Cb -0.14 -3.32 -0.06 0.00 1.25 0.00 0.00 34.83 32.56 3fdg s MET 205 CO 0.06 -0.23 0.80 -0.51 1.05 0.00 0.00 175.02 176.18 3fdg s LEU 206 N 0.80 4.51 -0.22 4.11 1.43 -1.26 -0.51 118.68 127.54 3fdg s LEU 206 Ca 0.58 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.22 3fdg s LEU 206 Cb -0.31 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3fdg s LEU 206 CO 0.31 0.07 -0.07 -0.62 0.23 0.00 0.00 176.35 176.27 3fdg s ASP 207 N -0.44 4.10 0.00 2.29 2.15 0.00 -4.08 116.67 120.69 3fdg s ASP 207 Ca 0.39 -0.50 0.26 0.00 0.43 0.00 0.00 52.55 53.13 3fdg s ASP 207 Cb -0.22 -1.69 0.68 0.00 -0.30 0.00 0.00 42.92 41.39 3fdg s ASP 207 CO 0.25 -0.03 1.52 0.18 -0.17 0.00 0.00 175.17 176.92 3fdg n LEU 208 N 4.75 0.97 -4.73 -1.34 4.77 0.84 -4.04 117.00 118.22 3fdg n LEU 208 Ca -0.18 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 3fdg n LEU 208 Cb 0.50 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3fdg n LEU 208 CO 0.28 0.19 1.17 -1.20 -1.33 0.00 0.00 177.39 176.50 3fdg n SER 209 N -0.78 3.55 0.00 -1.43 7.64 -1.26 -1.26 113.62 120.07 3fdg n SER 209 Ca 0.11 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3fdg n SER 209 Cb 0.35 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 3fdg n SER 209 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3fdg n HIS 210 N 1.98 0.00 -2.15 1.43 8.25 -1.26 -4.85 115.22 118.63 3fdg n HIS 210 Ca 0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 3fdg n HIS 210 Cb 0.35 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 3fdg n HIS 210 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fdg s LEU 211 N 0.00 4.17 0.86 2.41 2.96 -0.39 -0.84 118.68 127.86 3fdg s LEU 211 Ca 0.00 2.52 -0.13 0.00 -0.22 0.00 0.00 54.13 56.30 3fdg s LEU 211 Cb 0.00 -3.99 0.13 0.00 0.50 0.00 0.00 46.19 42.83 3fdg s LEU 211 CO 0.00 -0.82 1.22 0.54 -1.32 0.00 0.00 176.35 175.97 3fdg s ASN 212 N -0.95 3.94 0.17 3.68 2.20 -1.07 -4.63 114.94 118.28 3fdg s ASN 212 Ca 0.58 0.49 -0.13 0.00 -0.94 0.00 0.00 52.86 52.86 3fdg s ASN 212 Cb -0.35 -0.80 0.07 0.00 -2.00 0.00 0.00 41.25 38.17 3fdg s ASN 212 CO 0.44 -2.23 1.76 -0.08 -2.94 0.00 0.00 177.10 174.05 3fdg h GLU 213 N -1.24 0.82 -0.74 3.55 4.81 -1.07 -0.73 114.58 119.97 3fdg h GLU 213 Ca -0.45 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3fdg h GLU 213 Cb 1.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3fdg h GLU 213 CO 0.53 0.66 0.40 0.87 -0.73 0.00 0.00 179.01 180.73 3fdg h LYS 214 N 0.77 1.04 -0.20 1.92 1.57 -1.84 -0.85 116.57 118.99 3fdg h LYS 214 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3fdg h LYS 214 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3fdg h LYS 214 CO -0.03 0.78 0.09 0.78 -0.57 0.00 0.00 179.45 180.50 3fdg h GLY 215 N 1.03 0.32 0.16 3.86 0.00 -1.71 -1.48 103.07 105.24 3fdg h GLY 215 Ca 0.26 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.51 3fdg h GLY 215 CO -0.04 0.16 -0.10 -2.75 0.00 0.00 0.00 176.54 173.81 3fdg h PHE 216 N 0.18 -0.21 -1.00 5.60 3.57 -0.92 -0.93 116.94 123.23 3fdg h PHE 216 Ca 0.07 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3fdg h PHE 216 Cb 0.15 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3fdg h PHE 216 CO -0.02 -0.18 0.66 -0.44 -2.23 0.00 0.00 178.31 176.11 3fdg h ASP 217 N 0.01 1.14 -0.27 0.41 3.32 -0.77 0.18 116.42 120.44 3fdg h ASP 217 Ca 0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3fdg h ASP 217 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3fdg h ASP 217 CO -0.43 0.83 0.15 0.44 -1.72 0.00 0.00 179.24 178.51 3fdg h ASP 218 N 1.35 0.34 -0.64 6.45 3.32 -0.50 -1.53 116.42 125.21 3fdg h ASP 218 Ca 0.37 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3fdg h ASP 218 Cb -0.15 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3fdg h ASP 218 CO -0.08 0.32 0.17 0.58 -1.72 0.00 0.00 179.24 178.50 3fdg h VAL 219 N 0.33 1.25 -0.84 -1.35 2.07 -0.63 0.54 116.25 117.62 3fdg h VAL 219 Ca 0.10 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3fdg h VAL 219 Cb 0.05 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3fdg h VAL 219 CO -0.02 0.34 0.55 0.00 0.02 0.00 0.00 177.57 178.47 3fdg h ALA 220 N 1.06 1.55 0.01 1.67 0.00 -0.46 0.26 119.26 123.35 3fdg h ALA 220 Ca 0.20 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3fdg h ALA 220 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fdg h ALA 220 CO -0.00 0.33 -0.92 -0.09 0.00 0.00 0.00 179.25 178.57 3fdg h ARG 221 N 0.96 0.27 0.00 0.00 2.43 -0.74 -3.39 114.38 113.92 3fdg h ARG 221 Ca 0.35 -0.30 -0.34 0.00 -0.81 0.00 0.00 59.98 58.88 3fdg h ARG 221 Cb 0.16 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3fdg h ARG 221 CO -0.12 1.02 -2.29 1.28 -1.51 0.00 0.00 179.97 178.35 3fdg n LEU 222 N -3.68 0.79 -4.76 3.80 4.77 0.13 -4.97 117.00 113.08 3fdg n LEU 222 Ca -0.05 -0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 3fdg n LEU 222 Cb 0.83 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 42.00 3fdg n LEU 222 CO 0.49 0.57 0.85 -0.55 -1.33 0.00 0.00 177.39 177.42 3fdg s SER 223 N -5.54 7.12 0.00 -1.43 0.15 0.87 -4.90 113.70 109.97 3fdg s SER 223 Ca -0.15 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.10 3fdg s SER 223 Cb 0.06 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.27 3fdg s SER 223 CO 0.70 -0.26 1.45 -0.90 1.20 0.00 0.00 173.24 175.43 3fdg n ASP 224 N 1.11 2.89 -4.48 5.45 5.68 -1.26 -4.94 116.55 120.99 3fdg n ASP 224 Ca -0.01 -1.92 -0.26 0.00 -0.50 0.00 0.00 54.79 52.10 3fdg n ASP 224 Cb 0.44 -0.24 -0.10 0.00 -1.14 0.00 0.00 41.12 40.07 3fdg n ASP 224 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fdg s ALA 225 N -1.52 2.72 0.34 2.12 0.00 -1.26 -5.10 121.76 119.06 3fdg s ALA 225 Ca 0.37 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 3fdg s ALA 225 Cb 0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 23.12 22.78 3fdg s ALA 225 CO 0.29 0.38 1.04 -2.30 0.00 0.00 0.00 175.76 175.17 3fdg n PRO 226 N -0.11 1.46 -3.04 0.00 -0.02 -1.26 -4.93 135.00 127.11 3fdg n PRO 226 Ca -0.10 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3fdg n PRO 226 Cb 0.57 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 3fdg n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fdg s LEU 227 N -0.07 4.42 -0.01 2.45 1.43 -1.26 -4.86 118.68 120.79 3fdg s LEU 227 Ca 0.60 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 3fdg s LEU 227 Cb -0.63 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3fdg s LEU 227 CO 0.59 0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 176.42 3fdg s VAL 228 N 0.05 0.61 -0.21 -1.59 1.01 -1.26 -1.77 120.40 117.24 3fdg s VAL 228 Ca 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3fdg s VAL 228 Cb -0.20 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.73 3fdg s VAL 228 CO 0.21 0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.50 3fdg s ALA 229 N -0.15 1.29 -0.13 5.51 0.00 -0.70 -0.11 121.76 127.46 3fdg s ALA 229 Ca 0.03 -0.90 0.27 0.00 0.00 0.00 0.00 51.96 51.36 3fdg s ALA 229 Cb -0.03 -1.26 0.83 0.00 0.00 0.00 0.00 23.12 22.65 3fdg s ALA 229 CO -0.00 -1.19 1.78 1.79 0.00 0.00 0.00 175.76 178.14 3fdg h THR 230 N 6.56 0.11 -0.95 0.00 1.35 -1.86 -1.25 112.91 116.88 3fdg h THR 230 Ca -0.17 -0.88 -0.25 0.00 -0.55 0.00 0.00 66.41 64.56 3fdg h THR 230 Cb 1.10 1.79 -0.20 0.00 -1.73 0.00 0.00 68.15 69.12 3fdg h THR 230 CO 0.36 0.05 -0.60 0.00 -0.25 0.00 0.00 175.52 175.09 3fdg n HIS 231 N -3.14 -3.10 -3.66 4.73 1.44 -1.23 -3.79 115.22 106.48 3fdg n HIS 231 Ca 0.02 -1.87 -0.15 0.00 -2.01 0.00 0.00 57.72 53.71 3fdg n HIS 231 Cb 0.44 1.23 -0.08 0.00 0.12 0.00 0.00 29.99 31.70 3fdg n HIS 231 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3fdg s SER 232 N -0.12 -0.41 0.00 4.39 0.01 -0.48 -4.70 113.70 112.38 3fdg s SER 232 Ca 0.31 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.00 3fdg s SER 232 Cb 0.08 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.78 3fdg s SER 232 CO -0.13 -0.49 0.00 0.59 0.41 0.00 0.00 173.24 173.62 3fdg n ASN 233 N 1.26 1.54 -4.56 2.44 3.02 -1.26 -4.36 115.26 113.34 3fdg n ASN 233 Ca -0.20 -0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 53.76 3fdg n ASN 233 Cb 0.56 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.64 3fdg n ASN 233 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fdg s ALA 234 N -2.00 3.51 0.43 5.41 0.00 -1.26 -0.02 121.76 127.82 3fdg s ALA 234 Ca 0.00 -1.12 0.12 0.00 0.00 0.00 0.00 51.96 50.96 3fdg s ALA 234 Cb 0.00 -2.82 0.92 0.00 0.00 0.00 0.00 23.12 21.23 3fdg s ALA 234 CO 0.00 -1.01 1.98 1.25 0.00 0.00 0.00 175.76 177.98 3fdg h HIS 235 N 8.42 0.13 0.00 0.00 2.76 -0.82 -0.51 115.15 125.13 3fdg h HIS 235 Ca -0.30 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.83 3fdg h HIS 235 Cb 1.15 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 3fdg h HIS 235 CO 0.71 0.25 -0.14 0.00 -1.30 0.00 0.00 177.93 177.45 3fdg h ALA 236 N 1.76 1.45 0.00 5.26 0.00 -1.93 -3.00 119.26 122.80 3fdg h ALA 236 Ca 0.03 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 3fdg h ALA 236 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3fdg h ALA 236 CO 0.02 0.17 -1.46 0.28 0.00 0.00 0.00 179.25 178.27 3fdg n VAL 237 N -3.91 1.53 -3.91 0.00 0.31 -0.73 -4.84 118.33 106.79 3fdg n VAL 237 Ca -0.02 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 3fdg n VAL 237 Cb 0.23 -2.02 -0.15 0.00 -0.91 0.00 0.00 33.84 30.99 3fdg n VAL 237 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fdg s THR 238 N -2.39 1.52 -0.73 2.52 2.01 -0.28 -4.64 115.64 113.65 3fdg s THR 238 Ca -0.30 -1.50 -0.07 0.00 0.31 0.00 0.00 61.69 60.13 3fdg s THR 238 Cb 0.07 -1.95 -0.14 0.00 0.01 0.00 0.00 72.50 70.49 3fdg s THR 238 CO 0.57 -0.35 2.81 -0.81 -0.69 0.00 0.00 174.62 176.16 3fdg n PRO 239 N 4.63 2.40 -2.60 4.92 -0.04 -1.14 -4.14 135.00 139.04 3fdg n PRO 239 Ca -0.06 -1.41 -0.39 0.00 -0.04 0.00 0.00 63.50 61.60 3fdg n PRO 239 Cb 0.43 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 3fdg n PRO 239 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fdg s SER 240 N 2.46 7.29 0.49 3.54 0.15 -1.26 -1.19 113.70 125.19 3fdg s SER 240 Ca 0.56 2.09 0.27 0.00 0.70 0.00 0.00 55.95 59.57 3fdg s SER 240 Cb 0.20 -2.61 1.45 0.00 -1.71 0.00 0.00 66.02 63.35 3fdg s SER 240 CO -0.03 -0.11 1.79 0.71 1.20 0.00 0.00 173.24 176.80 3fdg h THR 241 N 2.90 0.00 -0.00 6.45 1.35 -1.44 -1.10 112.91 121.07 3fdg h THR 241 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3fdg h THR 241 Cb 1.21 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3fdg h THR 241 CO 0.66 0.00 -0.27 0.54 -0.25 0.00 0.00 175.52 176.21 3fdg n ARG 242 N -2.56 0.30 -2.79 4.72 5.12 -1.26 -4.30 116.66 115.90 3fdg n ARG 242 Ca -0.02 -0.14 -0.20 0.00 -1.93 0.00 0.00 57.85 55.57 3fdg n ARG 242 Cb 0.22 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3fdg n ARG 242 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3fdg s ASN 243 N -2.79 5.29 -0.15 0.55 0.02 -0.42 -4.50 114.94 112.95 3fdg s ASN 243 Ca 0.18 -0.26 -0.05 0.00 -1.02 0.00 0.00 52.86 51.71 3fdg s ASN 243 Cb 0.19 -0.61 -0.03 0.00 0.02 0.00 0.00 41.25 40.81 3fdg s ASN 243 CO 0.58 -1.11 0.01 -0.76 0.02 0.00 0.00 177.10 175.85 3fdg s LEU 244 N -4.65 3.58 0.73 0.60 1.43 0.97 -4.67 118.68 116.67 3fdg s LEU 244 Ca 0.58 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 3fdg s LEU 244 Cb -0.09 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3fdg s LEU 244 CO 0.37 0.23 1.07 0.42 0.23 0.00 0.00 176.35 178.68 3fdg s THR 245 N 0.00 3.69 0.40 5.49 -4.23 -1.26 -0.31 115.64 119.42 3fdg s THR 245 Ca 0.03 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 3fdg s THR 245 Cb -0.13 -3.28 0.28 0.00 1.34 0.00 0.00 72.50 70.70 3fdg s THR 245 CO 0.02 -0.72 2.03 0.44 -0.54 0.00 0.00 174.62 175.85 3fdg h ASP 246 N -0.85 0.53 -0.62 3.99 3.32 -1.98 0.41 116.42 121.20 3fdg h ASP 246 Ca -0.45 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3fdg h ASP 246 Cb 1.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 3fdg h ASP 246 CO 0.57 0.37 0.30 -0.09 -1.72 0.00 0.00 179.24 178.68 3fdg h ARG 247 N 0.61 0.89 -0.59 3.56 2.43 -2.00 -0.34 114.38 118.95 3fdg h ARG 247 Ca 0.20 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3fdg h ARG 247 Cb 0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3fdg h ARG 247 CO -0.05 0.71 -0.00 1.96 -1.51 0.00 0.00 179.97 181.08 3fdg h GLN 248 N 0.85 1.03 -0.86 0.20 4.20 -1.57 -2.52 115.11 116.44 3fdg h GLN 248 Ca 0.21 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3fdg h GLN 248 Cb 0.11 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3fdg h GLN 248 CO -0.03 1.01 0.56 -0.07 -0.67 0.00 0.00 178.83 179.63 3fdg h LEU 249 N 0.94 0.99 -0.87 1.46 3.38 -0.74 -1.42 115.31 119.06 3fdg h LEU 249 Ca 0.17 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3fdg h LEU 249 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3fdg h LEU 249 CO 0.03 0.73 -0.05 0.00 0.09 0.00 0.00 178.44 179.24 3fdg h ALA 250 N 1.31 1.05 -0.52 1.53 0.00 -0.81 0.55 119.26 122.38 3fdg h ALA 250 Ca 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fdg h ALA 250 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3fdg h ALA 250 CO -0.07 0.59 0.21 0.52 0.00 0.00 0.00 179.25 180.50 3fdg h MET 251 N 0.73 0.77 -0.21 0.00 2.86 -1.17 -1.01 114.93 116.89 3fdg h MET 251 Ca 0.13 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fdg h MET 251 Cb 0.51 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3fdg h MET 251 CO 0.03 0.67 0.13 0.82 1.06 0.00 0.00 176.91 179.62 3fdg h ILE 252 N 0.69 1.09 -0.43 -1.22 2.04 -0.88 -2.39 117.51 116.41 3fdg h ILE 252 Ca 0.17 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3fdg h ILE 252 Cb 0.19 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3fdg h ILE 252 CO -0.01 0.08 0.18 -0.09 0.00 0.00 0.00 178.15 178.31 3fdg h ARG 253 N 0.25 0.35 -0.58 2.37 2.43 -0.71 -1.33 114.38 117.16 3fdg h ARG 253 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3fdg h ARG 253 Cb 0.03 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3fdg h ARG 253 CO -0.01 0.23 0.21 1.49 -1.51 0.00 0.00 179.97 180.38 3fdg h GLU 254 N 0.36 0.85 0.00 0.20 4.81 -1.00 -1.26 114.58 118.54 3fdg h GLU 254 Ca 0.20 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3fdg h GLU 254 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3fdg h GLU 254 CO -0.18 0.71 0.00 -1.13 -0.73 0.00 0.00 179.01 177.68 3fdg n SER 255 N -4.31 0.00 -3.76 1.04 3.41 -0.92 -4.88 113.62 104.20 3fdg n SER 255 Ca 0.05 -1.46 -0.26 0.00 -0.26 0.00 0.00 58.87 56.93 3fdg n SER 255 Cb 0.18 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 3fdg n SER 255 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fdg n ARG 256 N -0.75 -6.34 0.00 4.33 1.74 -0.48 -4.02 116.66 111.14 3fdg n ARG 256 Ca 0.12 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3fdg n ARG 256 Cb 0.05 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 25.89 3fdg n ARG 256 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fdg n GLY 257 N -1.75 1.28 3.58 -0.13 0.00 -0.54 -4.78 105.19 102.85 3fdg n GLY 257 Ca -0.03 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 3fdg n GLY 257 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fdg s MET 258 N 1.74 0.79 -0.04 1.61 1.75 -0.73 -4.65 119.30 119.77 3fdg s MET 258 Ca 0.00 0.48 0.01 0.00 -1.25 0.00 0.00 55.69 54.93 3fdg s MET 258 Cb 0.00 0.38 0.02 0.00 2.84 0.00 0.00 34.83 38.07 3fdg s MET 258 CO 0.00 -0.19 -0.03 0.08 -0.65 0.00 0.00 175.02 174.23 3fdg s VAL 259 N -0.51 0.43 -0.21 10.11 1.01 -0.66 -1.71 120.40 128.86 3fdg s VAL 259 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3fdg s VAL 259 Cb -0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3fdg s VAL 259 CO 0.03 0.21 0.12 -0.83 0.00 0.00 0.00 175.10 174.62 3fdg s GLY 260 N 1.02 1.98 0.00 4.51 0.00 -0.47 -0.97 107.32 113.40 3fdg s GLY 260 Ca -0.10 -0.76 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 3fdg s GLY 260 CO -0.01 0.18 1.67 -2.27 0.00 0.00 0.00 173.10 172.67 3fdg s LEU 261 N 0.56 4.35 -0.02 0.66 2.96 0.18 -1.39 118.68 125.98 3fdg s LEU 261 Ca 0.06 2.36 -0.25 0.00 -0.22 0.00 0.00 54.13 56.08 3fdg s LEU 261 Cb -0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3fdg s LEU 261 CO 0.00 -0.91 0.78 0.21 -1.32 0.00 0.00 176.35 175.11 3fdg s ASN 262 N 3.01 7.14 0.00 3.68 3.84 -1.21 -0.18 114.94 131.22 3fdg s ASN 262 Ca 0.74 1.37 0.30 0.00 0.21 0.00 0.00 52.86 55.48 3fdg s ASN 262 Cb -0.36 -2.46 1.63 0.00 -0.55 0.00 0.00 41.25 39.50 3fdg s ASN 262 CO 0.31 -0.11 2.07 0.49 -2.79 0.00 0.00 177.10 177.07 3fdg n PHE 263 N 3.51 0.00 -1.69 0.43 3.72 -0.42 -4.76 117.46 118.26 3fdg n PHE 263 Ca -0.00 -0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3fdg n PHE 263 Cb 0.51 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 3fdg n PHE 263 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fdg n ALA 264 N -0.68 2.07 -0.20 4.37 0.00 -1.26 -3.83 120.51 120.98 3fdg n ALA 264 Ca 0.22 0.32 0.10 0.00 0.00 0.00 0.00 53.44 54.09 3fdg n ALA 264 Cb 0.17 -2.57 0.40 0.00 0.00 0.00 0.00 19.45 17.45 3fdg n ALA 264 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fdg h THR 265 N 4.62 0.91 -0.09 0.00 1.35 -1.04 -1.37 112.91 117.29 3fdg h THR 265 Ca -0.46 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.20 3fdg h THR 265 Cb 1.23 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3fdg h THR 265 CO 0.94 0.12 0.07 0.28 -0.25 0.00 0.00 175.52 176.68 3fdg h SER 266 N 0.64 0.00 -0.02 5.36 0.02 -1.77 -1.70 113.55 116.08 3fdg h SER 266 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3fdg h SER 266 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3fdg h SER 266 CO -0.14 0.00 -0.08 0.49 -1.14 0.00 0.00 176.83 175.96 3fdg n PHE 267 N -4.38 0.00 -0.08 3.45 3.72 -0.53 -4.45 117.46 115.19 3fdg n PHE 267 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 3fdg n PHE 267 Cb 0.18 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 3fdg n PHE 267 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3fdg n LEU 268 N 0.85 2.21 -4.76 4.37 4.77 -0.96 -4.72 117.00 118.77 3fdg n LEU 268 Ca 0.11 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 3fdg n LEU 268 Cb 0.47 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3fdg n LEU 268 CO 0.15 0.59 0.98 -0.13 -1.33 0.00 0.00 177.39 177.64 3fdg s ARG 269 N -2.31 4.38 0.37 3.23 0.52 -0.68 -4.69 118.95 119.77 3fdg s ARG 269 Ca -0.22 2.14 0.09 0.00 -0.52 0.00 0.00 55.73 57.22 3fdg s ARG 269 Cb 0.07 -3.12 0.83 0.00 0.52 0.00 0.00 34.95 33.25 3fdg s ARG 269 CO 0.33 -0.20 1.90 0.93 0.02 0.00 0.00 175.30 178.28 3fdg h GLU 270 N 4.24 0.65 -0.01 3.54 5.08 -1.91 -1.99 114.58 124.19 3fdg h GLU 270 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3fdg h GLU 270 Cb 1.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3fdg h GLU 270 CO 0.71 0.43 -0.03 -0.40 -1.00 0.00 0.00 179.01 178.72 3fdg n ASP 271 N -4.53 0.66 -0.43 1.42 5.75 -1.26 -4.73 116.55 113.42 3fdg n ASP 271 Ca 0.15 -1.06 -0.06 0.00 -0.01 0.00 0.00 54.79 53.82 3fdg n ASP 271 Cb 0.43 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 3fdg n ASP 271 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fdg n GLY 272 N 1.14 0.67 3.83 6.12 0.00 -0.75 -4.83 105.19 111.37 3fdg n GLY 272 Ca 0.20 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3fdg n GLY 272 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fdg s ARG 273 N -2.12 2.64 0.35 1.61 0.52 -1.26 -4.64 118.95 116.06 3fdg s ARG 273 Ca 0.00 0.69 0.24 0.00 -0.52 0.00 0.00 55.73 56.14 3fdg s ARG 273 Cb 0.00 -1.98 0.37 0.00 0.52 0.00 0.00 34.95 33.86 3fdg s ARG 273 CO 0.00 -1.24 1.55 -0.09 0.02 0.00 0.00 175.30 175.54 3fdg h ARG 274 N -0.81 0.00 -6.53 3.54 2.43 -1.71 -2.94 114.38 108.36 3fdg h ARG 274 Ca -0.45 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.19 3fdg h ARG 274 Cb 1.24 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.83 3fdg h ARG 274 CO 0.60 0.00 1.08 0.45 -1.51 0.00 0.00 179.97 180.59 3fdg s SER 275 N -5.72 6.43 0.06 -3.80 0.15 -1.26 -4.69 113.70 104.86 3fdg s SER 275 Ca 0.07 2.76 0.05 0.00 0.70 0.00 0.00 55.95 59.53 3fdg s SER 275 Cb 0.07 -2.57 0.25 0.00 -1.71 0.00 0.00 66.02 62.06 3fdg s SER 275 CO 0.68 -0.99 1.15 0.00 1.20 0.00 0.00 173.24 175.28 3fdg n ALA 276 N 5.36 1.07 -2.68 5.45 0.00 -1.26 -4.44 120.51 124.01 3fdg n ALA 276 Ca 0.17 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3fdg n ALA 276 Cb 0.38 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 3fdg n ALA 276 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fdg s GLU 277 N -3.09 3.72 0.17 0.00 2.02 -1.26 -0.70 118.70 119.55 3fdg s GLU 277 Ca 0.00 -1.57 -0.19 0.00 0.02 0.00 0.00 54.97 53.24 3fdg s GLU 277 Cb 0.02 -5.27 0.04 0.00 0.10 0.00 0.00 34.13 29.02 3fdg s GLU 277 CO 0.06 -2.08 0.52 0.00 0.02 0.00 0.00 175.26 173.78 3fdg s MET 278 N 4.01 1.28 0.00 1.61 0.23 -1.26 -5.05 119.30 120.13 3fdg s MET 278 Ca 0.44 -0.70 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 3fdg s MET 278 Cb -0.01 0.53 0.00 0.00 -1.53 0.00 0.00 34.83 33.83 3fdg s MET 278 CO -0.05 -0.54 0.00 0.41 -2.03 0.00 0.00 175.02 172.80 3fdg n GLY 279 N -0.33 1.72 0.09 3.16 0.00 -1.26 -4.56 105.19 104.01 3fdg n GLY 279 Ca -0.14 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.00 3fdg n GLY 279 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fdg n TRP 280 N 0.00 0.76 -0.34 1.61 7.02 -1.26 -4.51 117.44 120.72 3fdg n TRP 280 Ca 0.00 0.22 0.06 0.00 -1.02 0.00 0.00 57.50 56.76 3fdg n TRP 280 Cb 0.00 -0.81 0.22 0.00 -2.42 0.00 0.00 31.31 28.30 3fdg n TRP 280 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3fdg h GLU 281 N 0.00 0.88 -0.43 -0.99 4.22 -1.99 -1.36 114.58 114.92 3fdg h GLU 281 Ca 0.00 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 3fdg h GLU 281 Cb 0.90 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3fdg h GLU 281 CO 0.00 0.59 -0.11 -1.35 -2.18 0.00 0.00 179.01 175.95 3fdg h PRO 282 N 0.91 0.77 -0.22 0.92 0.11 -1.87 0.33 132.00 132.95 3fdg h PRO 282 Ca 0.47 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3fdg h PRO 282 Cb 0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3fdg h PRO 282 CO -0.27 0.85 0.15 0.28 -0.21 0.00 0.00 178.00 178.80 3fdg h VAL 283 N 0.70 1.06 -0.18 3.15 2.07 -1.65 -1.39 116.25 120.01 3fdg h VAL 283 Ca 0.12 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3fdg h VAL 283 Cb 0.59 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3fdg h VAL 283 CO 0.04 0.06 -0.50 -0.07 0.02 0.00 0.00 177.57 177.12 3fdg h LEU 284 N 0.30 0.53 -0.30 2.57 3.38 -1.01 -1.17 115.31 119.60 3fdg h LEU 284 Ca 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3fdg h LEU 284 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fdg h LEU 284 CO -0.02 0.93 0.20 -0.09 0.09 0.00 0.00 178.44 179.56 3fdg h ARG 285 N 0.38 0.40 -0.16 1.13 2.43 -0.13 -0.48 114.38 117.95 3fdg h ARG 285 Ca 0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3fdg h ARG 285 Cb 1.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3fdg h ARG 285 CO 0.09 0.26 0.05 0.45 -1.51 0.00 0.00 179.97 179.31 3fdg h HIS 286 N 0.41 0.26 -0.64 2.20 3.86 -1.03 -1.77 115.15 118.44 3fdg h HIS 286 Ca 0.11 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 3fdg h HIS 286 Cb -0.04 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.30 3fdg h HIS 286 CO -0.06 0.37 0.33 -0.07 0.86 0.00 0.00 177.93 179.36 3fdg h LEU 287 N 0.08 0.47 -0.35 2.43 3.38 -1.16 0.07 115.31 120.23 3fdg h LEU 287 Ca 0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3fdg h LEU 287 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3fdg h LEU 287 CO -0.00 0.30 0.21 0.44 0.09 0.00 0.00 178.44 179.49 3fdg h ASP 288 N 0.61 0.35 -0.14 -0.43 3.32 -0.95 0.35 116.42 119.53 3fdg h ASP 288 Ca 0.29 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3fdg h ASP 288 Cb 0.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3fdg h ASP 288 CO -0.20 0.26 0.01 -0.74 -1.72 0.00 0.00 179.24 176.85 3fdg h HIS 289 N 0.44 0.26 -0.07 4.55 2.76 -0.69 0.70 115.15 123.10 3fdg h HIS 289 Ca 0.14 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3fdg h HIS 289 Cb -0.01 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 3fdg h HIS 289 CO -0.07 0.45 -0.24 -0.07 -1.30 0.00 0.00 177.93 176.71 3fdg h LEU 290 N -0.00 -0.71 -0.53 0.26 3.38 -0.90 -1.38 115.31 115.42 3fdg h LEU 290 Ca 0.04 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fdg h LEU 290 Cb 0.34 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3fdg h LEU 290 CO 0.01 -0.29 0.33 0.40 0.09 0.00 0.00 178.44 178.97 3fdg h ILE 291 N -0.33 1.08 -0.39 1.22 2.04 -0.83 0.37 117.51 120.68 3fdg h ILE 291 Ca 0.08 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.78 3fdg h ILE 291 Cb 0.45 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3fdg h ILE 291 CO -0.26 0.12 0.05 -0.78 0.00 0.00 0.00 178.15 177.28 3fdg h ASP 292 N 0.66 -0.04 0.28 1.72 1.82 -0.74 -1.15 116.42 118.97 3fdg h ASP 292 Ca 0.20 0.07 -0.33 0.00 -0.39 0.00 0.00 57.03 56.58 3fdg h ASP 292 Cb -0.02 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 3fdg h ASP 292 CO -0.08 0.02 -1.86 0.03 -1.61 0.00 0.00 179.24 175.74 3fdg h ARG 293 N 0.17 0.17 0.00 0.28 2.47 -0.90 -3.38 114.38 113.20 3fdg h ARG 293 Ca 0.19 -0.29 -0.23 0.00 -1.26 0.00 0.00 59.98 58.39 3fdg h ARG 293 Cb 0.24 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 3fdg h ARG 293 CO -0.27 0.94 -1.14 -0.07 0.56 0.00 0.00 179.97 179.99 3fdg h LEU 294 N 0.05 0.01 0.00 3.04 3.38 -0.35 -3.46 115.31 117.98 3fdg h LEU 294 Ca -0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3fdg h LEU 294 Cb 2.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3fdg h LEU 294 CO 0.09 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.24 3fdg n GLY 295 N 1.39 1.50 0.31 0.83 0.00 -0.43 -4.59 105.19 104.20 3fdg n GLY 295 Ca -0.04 -1.77 0.16 0.00 0.00 0.00 0.00 46.02 44.38 3fdg n GLY 295 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fdg h GLU 296 N 0.00 0.00 -0.01 1.61 5.08 -1.92 -2.44 114.58 116.90 3fdg h GLU 296 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fdg h GLU 296 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fdg h GLU 296 CO 0.00 0.00 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.71 3fdg n ASP 297 N -3.75 0.93 -0.40 1.42 8.00 -1.26 -4.40 116.55 117.09 3fdg n ASP 297 Ca -0.03 -1.16 0.06 0.00 0.71 0.00 0.00 54.79 54.38 3fdg n ASP 297 Cb 0.09 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.31 3fdg n ASP 297 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3fdg n HIS 298 N -0.38 0.00 -4.30 1.24 8.25 -0.92 -4.81 115.22 114.31 3fdg n HIS 298 Ca 0.19 -0.82 -0.19 0.00 -0.26 0.00 0.00 57.72 56.65 3fdg n HIS 298 Cb 0.28 -0.15 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 3fdg n HIS 298 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fdg s VAL 299 N -2.02 0.63 0.00 1.59 1.01 -1.26 -1.65 120.40 118.71 3fdg s VAL 299 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3fdg s VAL 299 Cb 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3fdg s VAL 299 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3fdg n GLY 300 N 3.15 4.39 3.88 4.51 0.00 -0.14 -4.36 105.19 116.61 3fdg n GLY 300 Ca -0.16 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3fdg n GLY 300 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fdg s MET 301 N 1.38 3.65 -0.42 1.61 -1.94 -1.24 -0.65 119.30 121.70 3fdg s MET 301 Ca 0.00 0.02 0.07 0.00 -1.71 0.00 0.00 55.69 54.07 3fdg s MET 301 Cb 0.00 -3.03 0.24 0.00 2.01 0.00 0.00 34.83 34.05 3fdg s MET 301 CO 0.00 0.60 0.62 0.41 -0.01 0.00 0.00 175.02 176.64 3fdg n GLY 302 N 0.96 2.05 0.30 -0.03 0.00 0.75 0.13 105.19 109.35 3fdg n GLY 302 Ca -0.09 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.93 3fdg n GLY 302 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fdg h SER 303 N 4.05 0.31 -2.07 1.61 4.64 -1.65 -3.20 113.55 117.23 3fdg h SER 303 Ca 0.02 0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 61.19 3fdg h SER 303 Cb 0.92 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3fdg h SER 303 CO 0.42 0.06 -0.36 -0.67 -0.87 0.00 0.00 176.83 175.41 3fdg n ASP 304 N -5.01 -4.28 -4.64 4.97 2.03 0.35 -1.30 116.55 108.67 3fdg n ASP 304 Ca 0.18 -0.03 -0.44 0.00 0.52 0.00 0.00 54.79 55.02 3fdg n ASP 304 Cb 0.53 -3.42 -0.02 0.00 -0.72 0.00 0.00 41.12 37.49 3fdg n ASP 304 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3fdg n PHE 305 N -4.02 1.77 -0.85 -0.67 3.72 -1.23 -0.64 117.46 115.55 3fdg n PHE 305 Ca -0.16 0.60 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 3fdg n PHE 305 Cb 0.62 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 3fdg n PHE 305 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3fdg n ASP 306 N 1.35 -3.73 0.00 4.37 8.00 -1.26 -0.64 116.55 124.64 3fdg n ASP 306 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3fdg n ASP 306 Cb 0.32 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3fdg n ASP 306 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fdg n GLY 307 N -0.32 -0.90 3.62 0.44 0.00 0.19 -4.59 105.19 103.62 3fdg n GLY 307 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3fdg n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdg s ALA 308 N -0.22 -0.63 -0.05 4.61 0.00 -1.04 -5.07 121.76 119.36 3fdg s ALA 308 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3fdg s ALA 308 Cb 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 3fdg s ALA 308 CO 0.00 -0.87 0.65 0.99 0.00 0.00 0.00 175.76 176.53 3fdg s THR 309 N -3.96 5.02 0.37 0.00 2.01 -1.26 -4.95 115.64 112.88 3fdg s THR 309 Ca 0.16 1.34 0.06 0.00 0.31 0.00 0.00 61.69 63.56 3fdg s THR 309 Cb -0.02 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 3fdg s THR 309 CO 0.05 0.30 0.02 0.27 -0.69 0.00 0.00 174.62 174.57 3fdg s ILE 310 N 0.51 1.75 0.50 1.82 -4.36 -1.26 -0.45 121.20 119.71 3fdg s ILE 310 Ca 0.34 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.50 3fdg s ILE 310 Cb -0.18 -2.89 -0.06 0.00 1.25 0.00 0.00 42.46 40.58 3fdg s ILE 310 CO 0.17 -0.03 1.23 -2.84 0.24 0.00 0.00 174.94 173.72 3fdg s PRO 311 N -3.76 3.47 0.41 0.37 0.02 -1.25 -4.58 135.00 129.68 3fdg s PRO 311 Ca 0.35 1.93 0.14 0.00 0.02 0.00 0.00 61.00 63.44 3fdg s PRO 311 Cb 0.09 -2.30 1.01 0.00 0.02 0.00 0.00 34.50 33.31 3fdg s PRO 311 CO 0.17 -0.83 1.90 -0.56 -0.33 0.00 0.00 177.00 177.35 3fdg h GLN 312 N 1.72 0.46 0.00 5.54 3.07 -1.15 0.20 115.11 124.94 3fdg h GLN 312 Ca -0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.20 3fdg h GLN 312 Cb 1.27 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 3fdg h GLN 312 CO 0.59 0.30 -0.06 0.78 0.09 0.00 0.00 178.83 180.53 3fdg h GLY 313 N 0.47 0.00 0.00 0.06 0.00 -1.83 -3.28 103.07 98.50 3fdg h GLY 313 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3fdg h GLY 313 CO -0.14 0.00 -0.58 1.39 0.00 0.00 0.00 176.54 177.20 3fdg n ILE 314 N -3.34 1.17 0.00 2.60 5.41 -0.10 -4.72 119.36 120.38 3fdg n ILE 314 Ca -0.01 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.98 3fdg n ILE 314 Cb 0.23 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 36.95 3fdg n ILE 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fdg n ALA 315 N -3.68 0.00 -3.00 -1.39 0.00 -0.27 -3.35 120.51 108.82 3fdg n ALA 315 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3fdg n ALA 315 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3fdg n ALA 315 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fdg n ASP 316 N 1.75 0.00 0.23 0.00 5.68 -1.26 -4.83 116.55 118.12 3fdg n ASP 316 Ca 0.00 -0.95 0.11 0.00 -0.50 0.00 0.00 54.79 53.45 3fdg n ASP 316 Cb 0.00 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.53 3fdg n ASP 316 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3fdg h VAL 317 N 0.95 0.57 0.00 2.12 3.04 -1.57 -0.48 116.25 120.88 3fdg h VAL 317 Ca 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 3fdg h VAL 317 Cb 0.00 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3fdg h VAL 317 CO 0.00 0.19 0.00 0.35 -1.01 0.00 0.00 177.57 177.10 3fdg n THR 318 N -3.48 0.78 1.40 3.17 -2.24 -1.26 -2.39 114.28 110.26 3fdg n THR 318 Ca -0.01 0.20 0.14 0.00 -2.27 0.00 0.00 64.05 62.11 3fdg n THR 318 Cb 0.37 -0.99 0.46 0.00 -2.10 0.00 0.00 70.33 68.07 3fdg n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fdg n GLY 319 N -0.26 -0.17 0.36 3.38 0.00 -0.19 -4.27 105.19 104.06 3fdg n GLY 319 Ca 0.05 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3fdg n GLY 319 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fdg h LEU 320 N 2.05 0.98 -1.01 0.99 3.38 -1.64 -2.01 115.31 118.06 3fdg h LEU 320 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fdg h LEU 320 Cb 0.52 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3fdg h LEU 320 CO 0.00 0.59 0.67 -0.65 0.09 0.00 0.00 178.44 179.14 3fdg h PRO 321 N 1.10 1.32 -0.87 1.13 0.11 -1.74 -0.66 132.00 132.39 3fdg h PRO 321 Ca 0.45 -0.08 0.04 0.00 0.11 0.00 0.00 66.00 66.52 3fdg h PRO 321 Cb 0.28 -0.30 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 3fdg h PRO 321 CO -0.21 0.88 0.56 0.00 -0.21 0.00 0.00 178.00 179.02 3fdg h ALA 322 N 1.37 1.15 -0.45 -0.75 0.00 -1.68 -1.17 119.26 117.72 3fdg h ALA 322 Ca 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fdg h ALA 322 Cb -0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 3fdg h ALA 322 CO -0.08 0.40 0.16 1.25 0.00 0.00 0.00 179.25 180.97 3fdg h LEU 323 N 1.08 0.65 -0.90 0.00 5.85 -0.99 -1.77 115.31 119.22 3fdg h LEU 323 Ca 0.35 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3fdg h LEU 323 Cb 0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3fdg h LEU 323 CO -0.12 0.67 0.43 1.56 -0.34 0.00 0.00 178.44 180.64 3fdg h GLN 324 N 0.59 1.22 -0.80 1.25 4.20 -0.77 -0.39 115.11 120.40 3fdg h GLN 324 Ca 0.15 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3fdg h GLN 324 Cb 0.24 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3fdg h GLN 324 CO -0.01 0.92 0.35 0.00 -0.67 0.00 0.00 178.83 179.42 3fdg h ALA 325 N 1.26 1.11 -0.45 3.87 0.00 -1.09 0.51 119.26 124.47 3fdg h ALA 325 Ca 0.30 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3fdg h ALA 325 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3fdg h ALA 325 CO -0.04 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 3fdg h ALA 326 N 1.23 0.96 -0.38 0.00 0.00 -0.62 0.16 119.26 120.62 3fdg h ALA 326 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3fdg h ALA 326 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fdg h ALA 326 CO -0.03 0.61 0.11 0.52 0.00 0.00 0.00 179.25 180.47 3fdg h MET 327 N 0.74 0.59 -0.36 0.00 2.07 -0.61 -0.84 114.93 116.52 3fdg h MET 327 Ca 0.12 -0.13 -0.03 0.00 -2.07 0.00 0.00 59.70 57.59 3fdg h MET 327 Cb 0.60 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 3fdg h MET 327 CO 0.04 0.61 0.11 0.00 1.07 0.00 0.00 176.91 178.74 3fdg h ARG 328 N 0.46 0.56 0.00 1.72 3.08 -0.71 -2.33 114.38 117.17 3fdg h ARG 328 Ca 0.12 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3fdg h ARG 328 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3fdg h ARG 328 CO -0.00 0.58 -0.10 0.00 -1.07 0.00 0.00 179.97 179.39 3fdg h ALA 329 N 0.95 1.24 0.00 0.04 0.00 -0.54 0.23 119.26 121.18 3fdg h ALA 329 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fdg h ALA 329 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3fdg h ALA 329 CO -0.00 0.12 0.00 1.58 0.00 0.00 0.00 179.25 180.95 3fdg n HIS 330 N -3.55 0.00 -0.09 0.00 -0.00 -0.33 -4.94 115.22 106.31 3fdg n HIS 330 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3fdg n HIS 330 Cb 0.23 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.77 3fdg n HIS 330 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3fdg n GLY 331 N 1.30 0.95 3.71 1.57 0.00 0.81 -5.08 105.19 108.45 3fdg n GLY 331 Ca 0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3fdg n GLY 331 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fdg s TYR 332 N -2.00 3.20 0.92 1.61 2.02 -1.02 -5.03 117.35 117.05 3fdg s TYR 332 Ca 0.00 1.01 -0.14 0.00 -0.37 0.00 0.00 57.07 57.57 3fdg s TYR 332 Cb 0.00 -3.61 0.18 0.00 -0.40 0.00 0.00 41.96 38.13 3fdg s TYR 332 CO 0.00 -2.11 1.27 0.16 -1.57 0.00 0.00 175.55 173.30 3fdg s ASP 333 N 1.28 3.38 0.10 2.29 1.47 -1.26 -4.57 116.67 119.37 3fdg s ASP 333 Ca 0.63 0.23 -0.15 0.00 1.18 0.00 0.00 52.55 54.44 3fdg s ASP 333 Cb -0.34 -0.36 -0.08 0.00 -0.34 0.00 0.00 42.92 41.80 3fdg s ASP 333 CO 0.29 -2.56 1.43 -0.33 0.68 0.00 0.00 175.17 174.68 3fdg h GLU 334 N -1.46 0.66 -0.54 2.11 4.39 -1.99 -0.66 114.58 117.10 3fdg h GLU 334 Ca -0.44 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 58.93 3fdg h GLU 334 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 3fdg h GLU 334 CO 0.41 0.93 0.31 -1.35 -1.16 0.00 0.00 179.01 178.15 3fdg h PRO 335 N 0.40 0.73 -0.42 2.33 0.11 -2.00 -1.04 132.00 132.11 3fdg h PRO 335 Ca 0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3fdg h PRO 335 Cb 0.78 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3fdg h PRO 335 CO 0.06 0.52 0.00 1.25 -0.21 0.00 0.00 178.00 179.62 3fdg h LEU 336 N 0.74 0.73 -0.73 2.35 5.85 -1.87 -2.16 115.31 120.23 3fdg h LEU 336 Ca 0.19 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.73 3fdg h LEU 336 Cb -0.01 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 3fdg h LEU 336 CO -0.04 0.86 0.32 0.24 -0.34 0.00 0.00 178.44 179.49 3fdg h MET 337 N 0.59 0.49 -0.13 1.25 2.86 -0.51 0.11 114.93 119.59 3fdg h MET 337 Ca 0.12 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 3fdg h MET 337 Cb 0.49 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3fdg h MET 337 CO 0.02 0.33 -0.53 0.00 1.06 0.00 0.00 176.91 177.78 3fdg h ARG 338 N 0.51 0.37 -0.02 1.72 3.08 -1.01 0.13 114.38 119.16 3fdg h ARG 338 Ca 0.38 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3fdg h ARG 338 Cb 0.51 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3fdg h ARG 338 CO -0.34 0.81 0.00 0.87 -1.07 0.00 0.00 179.97 180.25 3fdg h LYS 339 N 0.29 0.04 -0.53 0.04 1.57 -0.77 -0.99 116.57 116.21 3fdg h LYS 339 Ca 0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3fdg h LYS 339 Cb 1.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3fdg h LYS 339 CO 0.09 0.26 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.13 3fdg h LEU 340 N -0.20 0.91 -0.31 2.94 3.38 -0.62 -0.93 115.31 120.48 3fdg h LEU 340 Ca 0.01 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 3fdg h LEU 340 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fdg h LEU 340 CO 0.00 0.98 -0.66 0.00 0.09 0.00 0.00 178.44 178.85 3fdg n HIS 342 N -3.94 0.00 0.05 0.00 1.44 -0.70 -0.61 115.22 111.45 3fdg n HIS 342 Ca -0.05 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.62 3fdg n HIS 342 Cb 0.68 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.98 3fdg n HIS 342 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3fdg h GLU 343 N 0.00 0.36 -0.55 -1.40 5.08 -1.06 -2.21 114.58 114.81 3fdg h GLU 343 Ca 0.00 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3fdg h GLU 343 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3fdg h GLU 343 CO 0.00 0.69 0.09 -0.91 -1.00 0.00 0.00 179.01 177.88 3fdg h ASN 344 N 0.31 0.87 -0.70 1.42 2.35 -1.39 -0.86 115.58 117.59 3fdg h ASN 344 Ca 0.03 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3fdg h ASN 344 Cb 0.80 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3fdg h ASN 344 CO 0.06 0.91 0.42 -0.50 -1.65 0.00 0.00 177.43 176.67 3fdg h TRP 345 N 0.80 0.92 -0.51 1.19 4.06 -1.72 -1.11 115.95 119.58 3fdg h TRP 345 Ca 0.17 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.06 3fdg h TRP 345 Cb 0.41 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 3fdg h TRP 345 CO 0.03 0.62 0.12 1.88 -3.56 0.00 0.00 178.44 177.53 3fdg h TYR 346 N 0.95 0.87 -0.65 0.49 0.05 -1.01 -0.13 116.97 117.54 3fdg h TYR 346 Ca 0.25 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.96 3fdg h TYR 346 Cb -0.03 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 3fdg h TYR 346 CO -0.01 0.77 0.39 0.78 -1.05 0.00 0.00 178.16 179.04 3fdg h GLY 347 N 0.72 0.94 0.98 3.88 0.00 -1.04 -2.40 103.07 106.14 3fdg h GLY 347 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3fdg h GLY 347 CO 0.00 0.23 0.54 -2.00 0.00 0.00 0.00 176.54 175.31 3fdg h LEU 348 N 0.76 0.92 -0.92 3.11 5.85 -0.54 -1.66 115.31 122.83 3fdg h LEU 348 Ca 0.27 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3fdg h LEU 348 Cb 0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3fdg h LEU 348 CO -0.12 0.66 0.56 -0.07 -0.34 0.00 0.00 178.44 179.12 3fdg h LEU 349 N 1.09 1.10 -0.78 2.25 3.38 -0.71 0.27 115.31 121.91 3fdg h LEU 349 Ca 0.31 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3fdg h LEU 349 Cb -0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3fdg h LEU 349 CO -0.08 0.85 0.10 -0.33 0.09 0.00 0.00 178.44 179.08 3fdg h GLU 350 N 1.27 1.03 0.00 1.13 5.08 -0.96 0.72 114.58 122.84 3fdg h GLU 350 Ca 0.33 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3fdg h GLU 350 Cb -0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3fdg h GLU 350 CO -0.06 0.94 -0.38 0.00 -1.00 0.00 0.00 179.01 178.51 3fdg h ARG 351 N 0.97 0.00 0.12 2.33 3.08 -0.36 -0.84 114.38 119.68 3fdg h ARG 351 Ca 0.19 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.90 3fdg h ARG 351 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3fdg h ARG 351 CO 0.01 0.38 -1.88 0.77 -1.07 0.00 0.00 179.97 178.18 3fdg h SER 352 N 0.00 0.41 0.00 7.04 0.02 -0.66 -3.42 113.55 116.93 3fdg h SER 352 Ca -0.00 -0.81 -0.05 0.00 -0.84 0.00 0.00 61.79 60.09 3fdg h SER 352 Cb 0.85 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3fdg h SER 352 CO 0.05 1.71 -1.66 0.79 -1.14 0.00 0.00 176.83 176.59 3fdg n TRP 353 N -3.45 0.00 0.00 3.45 8.01 0.22 -4.79 117.44 120.88 3fdg n TRP 353 Ca -0.28 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.91 3fdg n TRP 353 Cb 1.05 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.98 3fdg n TRP 353 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3fdg n GLY 354 N 1.87 2.43 0.81 6.99 0.00 -0.33 -5.02 105.19 111.94 3fdg n GLY 354 Ca -0.06 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.41 3fdg n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32