#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 3.61 -0.05 3.84 2.01 -1.26 -5.02 115.64 118.77 3fdg s THR 4 Ca 0.00 1.26 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 3fdg s THR 4 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3fdg s THR 4 CO 0.00 0.16 0.56 -0.63 -0.69 0.00 0.00 174.62 174.01 3fdg s ILE 5 N 0.44 5.03 0.26 1.82 1.01 -1.26 -5.03 121.20 123.48 3fdg s ILE 5 Ca 0.57 1.14 -0.31 0.00 0.00 0.00 0.00 60.65 62.05 3fdg s ILE 5 Cb -0.33 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.12 3fdg s ILE 5 CO 0.34 0.38 1.47 -2.65 0.00 0.00 0.00 174.94 174.47 3fdg n PRO 6 N 3.12 2.27 -4.37 2.79 -0.02 -1.26 -4.92 135.00 132.60 3fdg n PRO 6 Ca -0.07 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 3fdg n PRO 6 Cb 0.51 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 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 -0.08 4.04 -0.16 -1.45 1.01 0.61 -4.29 120.40 120.08 3fdg s VAL 7 Ca 0.66 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 3fdg s VAL 7 Cb -0.59 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3fdg s VAL 7 CO 0.50 0.52 0.06 0.12 0.00 0.00 0.00 175.10 176.29 3fdg s PHE 8 N 0.07 3.26 0.07 5.22 5.36 0.58 0.22 117.98 132.76 3fdg s PHE 8 Ca 0.01 0.11 0.07 0.00 -0.96 0.00 0.00 56.93 56.16 3fdg s PHE 8 Cb -0.13 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 3fdg s PHE 8 CO 0.02 0.24 -0.17 0.34 -1.46 0.00 0.00 175.22 174.19 3fdg s ASP 9 N 0.10 3.94 0.10 6.13 2.15 -0.02 -4.52 116.67 124.55 3fdg s ASP 9 Ca 0.05 -0.44 0.27 0.00 0.43 0.00 0.00 52.55 52.86 3fdg s ASP 9 Cb -0.12 -0.64 0.95 0.00 -0.30 0.00 0.00 42.92 42.80 3fdg s ASP 9 CO 0.01 0.23 1.79 0.61 -0.17 0.00 0.00 175.17 177.64 3fdg n GLY 10 N 1.25 -1.58 3.46 2.66 0.00 0.14 -1.42 105.19 109.71 3fdg n GLY 10 Ca -0.16 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.79 3fdg n GLY 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fdg s HIS 11 N -3.06 -0.37 0.07 1.61 5.65 -1.26 -4.43 115.29 113.50 3fdg s HIS 11 Ca 0.12 0.69 -0.02 0.00 0.25 0.00 0.00 55.06 56.10 3fdg s HIS 11 Cb 0.16 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 3fdg s HIS 11 CO 0.58 -0.19 0.00 0.54 -0.65 0.00 0.00 174.74 175.03 3fdg s ASN 12 N 1.79 0.43 -0.27 9.88 2.20 -0.91 -0.71 114.94 127.36 3fdg s ASN 12 Ca -0.04 -1.00 0.09 0.00 -0.94 0.00 0.00 52.86 50.96 3fdg s ASN 12 Cb -0.03 0.23 0.45 0.00 -2.00 0.00 0.00 41.25 39.90 3fdg s ASN 12 CO -0.15 -0.63 1.30 0.47 -2.94 0.00 0.00 177.10 175.15 3fdg n ASP 13 N 0.07 3.14 -0.12 3.54 8.00 -0.42 -1.51 116.55 129.24 3fdg n ASP 13 Ca -0.13 -3.83 0.12 0.00 0.71 0.00 0.00 54.79 51.67 3fdg n ASP 13 Cb 0.62 -0.51 0.49 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.41 0.48 -0.03 1.24 3.04 -1.85 -1.11 116.94 120.12 3fdg h PHE 14 Ca 0.19 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.16 3fdg h PHE 14 Cb 1.31 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.66 3fdg h PHE 14 CO 0.88 0.22 0.04 -0.07 -2.02 0.00 0.00 178.31 177.36 3fdg h LEU 15 N 0.44 0.00 -0.75 0.59 3.38 -1.84 -1.30 115.31 115.83 3fdg h LEU 15 Ca 0.31 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 3fdg h LEU 15 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3fdg h LEU 15 CO -0.09 0.00 -0.61 0.25 0.09 0.00 0.00 178.44 178.08 3fdg h LEU 16 N 0.00 0.06 -0.90 1.67 5.85 -1.49 -0.51 115.31 120.00 3fdg h LEU 16 Ca 0.01 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3fdg h LEU 16 Cb 0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3fdg h LEU 16 CO -0.00 0.66 0.00 0.03 -0.34 0.00 0.00 178.44 178.79 3fdg h ARG 17 N 0.04 0.81 -0.27 1.25 3.08 -1.31 -1.56 114.38 116.41 3fdg h ARG 17 Ca -0.01 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.65 3fdg h ARG 17 Cb 1.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 3fdg h ARG 17 CO 0.08 0.82 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.22 3fdg h LEU 18 N 0.76 0.85 -0.59 3.04 3.38 -1.48 -2.06 115.31 119.19 3fdg h LEU 18 Ca 0.15 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3fdg h LEU 18 Cb 0.46 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3fdg h LEU 18 CO 0.02 1.20 0.23 0.25 0.09 0.00 0.00 178.44 180.23 3fdg h LEU 19 N 0.60 0.25 0.00 1.67 5.85 -0.84 -1.88 115.31 120.96 3fdg h LEU 19 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fdg h LEU 19 Cb 1.09 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3fdg h LEU 19 CO 0.11 0.15 -0.18 0.03 -0.34 0.00 0.00 178.44 178.22 3fdg h ARG 20 N 0.42 0.00 -2.00 1.25 2.47 -1.21 -3.35 114.38 111.96 3fdg h ARG 20 Ca 0.29 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.49 3fdg h ARG 20 Cb 0.34 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.27 3fdg h ARG 20 CO -0.28 0.10 -1.15 -1.71 0.56 0.00 0.00 179.97 177.49 3fdg n ASN 21 N -3.10 0.44 0.20 7.04 5.15 -0.78 -4.98 115.26 119.22 3fdg n ASN 21 Ca 0.03 -2.82 0.06 0.00 -0.60 0.00 0.00 54.58 51.25 3fdg n ASN 21 Cb 0.58 -0.63 0.54 0.00 -0.53 0.00 0.00 39.78 39.74 3fdg n ASN 21 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3fdg h PRO 22 N 3.60 0.10 0.00 1.20 0.13 -1.50 -2.29 132.00 133.24 3fdg h PRO 22 Ca 0.08 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3fdg h PRO 22 Cb 0.92 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3fdg h PRO 22 CO 0.48 0.14 -0.01 0.00 -0.23 0.00 0.00 178.00 178.38 3fdg h ALA 23 N 1.87 1.61 -0.49 -0.56 0.00 -1.94 -1.98 119.26 117.77 3fdg h ALA 23 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fdg h ALA 23 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fdg h ALA 23 CO 0.01 0.01 0.00 -1.71 0.00 0.00 0.00 179.25 177.56 3fdg n ASN 24 N -3.98 4.00 -0.30 0.00 5.15 -0.86 -4.70 115.26 114.56 3fdg n ASN 24 Ca -0.03 -2.39 0.06 0.00 -0.60 0.00 0.00 54.58 51.62 3fdg n ASN 24 Cb 0.09 -0.46 0.22 0.00 -0.53 0.00 0.00 39.78 39.10 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 3.06 0.70 0.13 1.20 0.11 -1.37 -1.85 114.38 116.37 3fdg h ARG 25 Ca 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.05 3fdg h ARG 25 Cb 1.20 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 32.09 3fdg h ARG 25 CO 0.14 0.46 -0.28 0.93 0.10 0.00 0.00 179.97 181.33 3fdg h GLU 26 N 0.72 -0.49 -0.37 0.08 3.07 -1.84 -0.89 114.58 114.87 3fdg h GLU 26 Ca 0.45 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.36 3fdg h GLU 26 Cb 0.57 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 3fdg h GLU 26 CO -0.32 -0.32 0.21 1.15 -1.40 0.00 0.00 179.01 178.33 3fdg h THR 27 N -0.50 1.04 -0.52 1.13 2.02 -1.84 -0.77 112.91 113.46 3fdg h THR 27 Ca 0.03 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 3fdg h THR 27 Cb 0.53 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3fdg h THR 27 CO -0.15 0.08 0.06 0.40 0.37 0.00 0.00 175.52 176.28 3fdg h ILE 28 N 0.44 1.26 0.00 3.11 2.04 -0.93 0.47 117.51 123.89 3fdg h ILE 28 Ca 0.15 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3fdg h ILE 28 Cb 0.01 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3fdg h ILE 28 CO -0.07 0.35 -0.05 -0.25 0.00 0.00 0.00 178.15 178.13 3fdg h TRP 29 N 0.76 0.00 0.00 1.37 -0.00 -1.20 -2.99 115.95 113.89 3fdg h TRP 29 Ca 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 58.89 58.85 3fdg h TRP 29 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.57 3fdg h TRP 29 CO 0.03 0.68 -1.01 -0.07 -0.00 0.00 0.00 178.44 178.07 3fdg h LEU 30 N -1.00 0.00 0.00 0.65 3.38 -1.17 -0.88 115.31 116.29 3fdg h LEU 30 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3fdg h LEU 30 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3fdg h LEU 30 CO -0.01 0.87 -1.47 0.29 0.09 0.00 0.00 178.44 178.22 3fdg n LYS 31 N -3.26 1.86 0.00 1.13 5.02 -0.28 -4.42 118.16 118.22 3fdg n LYS 31 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3fdg n LYS 31 Cb 0.91 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 2.79 0.96 0.42 0.72 0.00 0.15 -4.80 105.19 105.43 3fdg n GLY 32 Ca -0.12 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.34 2.54 -1.55 1.61 5.75 -1.26 -4.58 116.55 118.72 3fdg n ASP 33 Ca 0.00 -3.29 -0.17 0.00 -0.01 0.00 0.00 54.79 51.32 3fdg n ASP 33 Cb 0.00 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.18 1.55 3.52 6.12 0.00 -1.26 -5.00 105.19 108.95 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 -2.50 1.65 0.00 2.61 -4.23 -1.26 -5.11 115.64 106.80 3fdg s THR 35 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3fdg s THR 35 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3fdg s THR 35 CO 0.00 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3fdg n GLY 36 N -0.79 -1.78 0.03 3.99 0.00 -1.26 -4.68 105.19 100.71 3fdg n GLY 36 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.50 0.00 -4.14 1.61 8.25 -1.26 -4.90 115.22 114.27 3fdg n HIS 37 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3fdg n HIS 37 Cb 0.00 -0.51 -0.12 0.00 1.12 0.00 0.00 29.99 30.48 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 -4.50 2.28 0.03 2.41 1.43 -1.26 -1.30 118.68 117.77 3fdg s LEU 38 Ca -0.07 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 3fdg s LEU 38 Cb 0.08 -0.41 0.11 0.00 0.03 0.00 0.00 46.19 46.00 3fdg s LEU 38 CO 0.66 -0.12 1.21 1.51 0.23 0.00 0.00 176.35 179.84 3fdg s ASP 39 N -1.74 -0.08 0.09 2.29 1.47 -1.26 -4.97 116.67 112.46 3fdg s ASP 39 Ca -0.04 -0.20 -0.25 0.00 1.18 0.00 0.00 52.55 53.24 3fdg s ASP 39 Cb -0.10 0.24 -0.16 0.00 -0.34 0.00 0.00 42.92 42.57 3fdg s ASP 39 CO 0.02 -0.45 1.71 0.25 0.68 0.00 0.00 175.17 177.39 3fdg h LEU 40 N 2.00 -0.13 -1.20 2.11 5.85 -1.42 -0.87 115.31 121.65 3fdg h LEU 40 Ca -0.29 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3fdg h LEU 40 Cb 1.21 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3fdg h LEU 40 CO 0.28 -0.09 0.55 -0.65 -0.34 0.00 0.00 178.44 178.19 3fdg h PRO 41 N -0.16 1.01 -0.08 5.25 0.11 -1.78 -2.12 132.00 134.22 3fdg h PRO 41 Ca -0.02 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 3fdg h PRO 41 Cb 0.13 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3fdg h PRO 41 CO 0.03 0.67 -0.66 0.00 -0.21 0.00 0.00 178.00 177.82 3fdg h ARG 42 N 1.04 0.34 -0.24 1.05 3.08 -1.85 -0.60 114.38 117.19 3fdg h ARG 42 Ca 0.33 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3fdg h ARG 42 Cb 0.04 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3fdg h ARG 42 CO -0.10 0.88 -0.08 0.52 -1.07 0.00 0.00 179.97 180.13 3fdg h MET 43 N 0.24 -0.02 0.17 0.04 2.86 -0.79 0.01 114.93 117.44 3fdg h MET 43 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3fdg h MET 43 Cb 1.21 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3fdg h MET 43 CO 0.11 -0.02 -0.08 0.87 1.06 0.00 0.00 176.91 178.85 3fdg h LYS 44 N -0.03 -0.23 -0.77 1.72 1.79 -1.16 0.33 116.57 118.23 3fdg h LYS 44 Ca 0.12 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 3fdg h LYS 44 Cb 0.21 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 3fdg h LYS 44 CO -0.26 -0.13 0.50 1.49 -1.08 0.00 0.00 179.45 179.97 3fdg h GLU 45 N -0.26 0.68 -0.07 3.15 4.81 -0.99 -3.04 114.58 118.86 3fdg h GLU 45 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3fdg h GLU 45 Cb 0.20 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3fdg h GLU 45 CO 0.04 0.45 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 3fdg n GLY 46 N -1.45 0.87 1.90 1.92 0.00 -0.02 -4.94 105.19 103.47 3fdg n GLY 46 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.33 0.45 3.61 -0.02 0.00 -0.76 -4.24 105.19 105.56 3fdg n GLY 47 Ca 0.16 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.02 2.49 -0.17 1.61 5.36 0.03 -0.28 117.98 125.01 3fdg s PHE 48 Ca 0.00 0.71 0.15 0.00 -0.96 0.00 0.00 56.93 56.83 3fdg s PHE 48 Cb 0.00 -4.26 0.06 0.00 -0.34 0.00 0.00 43.02 38.48 3fdg s PHE 48 CO 0.00 -1.86 1.41 0.00 -1.46 0.00 0.00 175.22 173.30 3fdg h ALA 49 N 10.31 0.68 0.00 11.12 0.00 -0.53 -3.43 119.26 137.40 3fdg h ALA 49 Ca -0.27 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3fdg h ALA 49 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3fdg h ALA 49 CO 1.08 0.62 0.00 0.41 0.00 0.00 0.00 179.25 181.36 3fdg n GLY 50 N 1.23 -1.69 0.00 0.00 0.00 -1.20 -1.14 105.19 102.39 3fdg n GLY 50 Ca 0.01 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.94 -1.14 3.70 -0.02 0.00 -0.66 -0.84 105.19 105.29 3fdg n GLY 51 Ca 0.00 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 3.58 -0.35 1.61 0.08 -0.51 -0.93 117.98 119.46 3fdg s PHE 52 Ca 0.00 1.47 -0.09 0.00 0.12 0.00 0.00 56.93 58.43 3fdg s PHE 52 Cb 0.00 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.47 3fdg s PHE 52 CO 0.00 -0.04 0.15 -0.06 -0.10 0.00 0.00 175.22 175.18 3fdg s PHE 53 N 1.22 3.23 0.09 0.36 0.08 0.74 -2.13 117.98 121.57 3fdg s PHE 53 Ca 0.45 -1.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.13 3fdg s PHE 53 Cb -0.19 -2.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.85 3fdg s PHE 53 CO 0.21 -0.64 1.08 0.00 -0.10 0.00 0.00 175.22 175.77 3fdg s ALA 54 N 1.51 3.30 -0.37 5.36 0.00 -0.57 -2.18 121.76 128.80 3fdg s ALA 54 Ca 0.01 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 3fdg s ALA 54 Cb -0.19 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3fdg s ALA 54 CO 0.05 -0.25 0.72 0.42 0.00 0.00 0.00 175.76 176.69 3fdg s ILE 55 N 0.52 4.79 -0.07 0.00 1.01 0.28 -4.51 121.20 123.22 3fdg s ILE 55 Ca 0.53 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.84 3fdg s ILE 55 Cb -0.26 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.06 3fdg s ILE 55 CO 0.31 -0.43 -0.02 -0.47 0.00 0.00 0.00 174.94 174.33 3fdg s TYR 56 N 2.95 0.79 -0.39 3.97 5.04 -1.26 -0.02 117.35 128.44 3fdg s TYR 56 Ca 0.28 -0.25 -0.23 0.00 -2.44 0.00 0.00 57.07 54.43 3fdg s TYR 56 Cb -0.14 -0.82 0.01 0.00 0.35 0.00 0.00 41.96 41.37 3fdg s TYR 56 CO 0.17 -0.31 0.75 0.08 -1.34 0.00 0.00 175.55 174.90 3fdg s VAL 57 N 1.64 4.74 0.45 3.14 1.01 -1.26 -4.96 120.40 125.17 3fdg s VAL 57 Ca 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 3fdg s VAL 57 Cb -0.13 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 3fdg s VAL 57 CO -0.04 -0.48 0.91 -2.16 0.00 0.00 0.00 175.10 173.32 3fdg s PRO 58 N 3.06 3.97 0.57 2.72 0.04 -1.26 -5.07 135.00 139.05 3fdg s PRO 58 Ca 0.29 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 3fdg s PRO 58 Cb -0.13 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3fdg s PRO 58 CO 0.18 -0.13 0.93 -1.12 0.04 0.00 0.00 177.00 176.90 3fdg s SER 59 N -2.83 6.07 0.09 6.66 0.01 -1.26 -5.14 113.70 117.29 3fdg s SER 59 Ca 0.57 1.11 0.08 0.00 1.31 0.00 0.00 55.95 59.02 3fdg s SER 59 Cb -0.10 -2.22 0.42 0.00 0.21 0.00 0.00 66.02 64.33 3fdg s SER 59 CO 0.26 -0.84 1.26 -2.65 0.41 0.00 0.00 173.24 171.68 3fdg n PRO 60 N -2.57 0.04 -0.03 12.44 -0.02 -1.26 -5.20 135.00 138.39 3fdg n PRO 60 Ca 0.04 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3fdg n PRO 60 Cb 0.55 -1.63 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3fdg n PRO 60 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fdg n PRO 76 N -1.72 0.00 -3.91 0.52 -0.04 -1.26 -5.25 135.00 123.35 3fdg n PRO 76 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 3fdg n PRO 76 Cb 0.05 -0.03 -0.07 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.04 0.26 -0.16 0.54 -0.12 -0.69 -5.00 117.98 112.86 3fdg s PHE 77 Ca 0.02 -0.67 -0.08 0.00 -0.05 0.00 0.00 56.93 56.15 3fdg s PHE 77 Cb -0.03 -0.08 0.06 0.00 -0.63 0.00 0.00 43.02 42.34 3fdg s PHE 77 CO 0.01 -0.59 0.37 -1.21 -0.05 0.00 0.00 175.22 173.75 3fdg s GLU 78 N -3.90 0.33 -0.02 1.99 2.02 -1.26 -1.38 118.70 116.47 3fdg s GLU 78 Ca 0.10 0.76 -0.14 0.00 0.02 0.00 0.00 54.97 55.71 3fdg s GLU 78 Cb 0.05 -0.00 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 3fdg s GLU 78 CO -0.07 -0.18 0.38 -0.51 0.02 0.00 0.00 175.26 174.90 3fdg s LEU 79 N 1.59 4.45 0.75 1.80 1.02 -0.06 -5.01 118.68 123.22 3fdg s LEU 79 Ca -0.08 0.89 -0.13 0.00 0.02 0.00 0.00 54.13 54.83 3fdg s LEU 79 Cb -0.09 -2.52 0.05 0.00 0.02 0.00 0.00 46.19 43.64 3fdg s LEU 79 CO -0.12 0.32 1.12 -2.16 0.02 0.00 0.00 176.35 175.53 3fdg s PRO 80 N -0.95 2.25 0.22 1.29 0.04 -1.26 -4.29 135.00 132.30 3fdg s PRO 80 Ca 0.23 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3fdg s PRO 80 Cb -0.16 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3fdg s PRO 80 CO 0.12 -1.68 1.15 -0.51 0.04 0.00 0.00 177.00 176.13 3fdg s LEU 81 N -5.54 4.49 0.83 -3.56 1.43 -1.26 -4.91 118.68 110.15 3fdg s LEU 81 Ca 0.66 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 3fdg s LEU 81 Cb -0.21 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.49 3fdg s LEU 81 CO 0.50 -0.28 1.09 -2.84 0.23 0.00 0.00 176.35 175.05 3fdg s PRO 82 N -0.69 1.82 0.70 1.29 0.02 -1.26 -5.03 135.00 131.85 3fdg s PRO 82 Ca 0.49 0.80 -0.14 0.00 0.02 0.00 0.00 61.00 62.17 3fdg s PRO 82 Cb -0.32 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3fdg s PRO 82 CO 0.38 -1.85 1.13 -2.14 -0.33 0.00 0.00 177.00 174.20 3fdg s PRO 83 N -5.02 2.50 0.44 5.54 0.02 -1.26 -4.43 135.00 132.79 3fdg s PRO 83 Ca 0.62 1.46 -0.25 0.00 0.02 0.00 0.00 61.00 62.84 3fdg s PRO 83 Cb -0.16 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3fdg s PRO 83 CO 0.56 -1.49 1.37 1.41 -0.33 0.00 0.00 177.00 178.51 3fdg s MET 84 N -4.16 3.76 -0.14 5.54 1.75 -1.26 -4.85 119.30 119.93 3fdg s MET 84 Ca 0.68 2.29 -0.02 0.00 -1.25 0.00 0.00 55.69 57.39 3fdg s MET 84 Cb -0.22 -2.66 -0.02 0.00 2.84 0.00 0.00 34.83 34.77 3fdg s MET 84 CO 0.45 -0.71 -0.09 0.42 -0.65 0.00 0.00 175.02 174.43 3fdg s ILE 85 N -1.24 3.39 0.51 10.11 1.01 -1.26 -5.09 121.20 128.62 3fdg s ILE 85 Ca 0.60 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3fdg s ILE 85 Cb -0.41 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.62 3fdg s ILE 85 CO 0.52 0.51 0.75 -0.13 0.00 0.00 0.00 174.94 176.59 3fdg s ARG 86 N 0.35 2.90 0.26 2.79 1.81 -1.26 -4.80 118.95 121.00 3fdg s ARG 86 Ca -0.08 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.46 3fdg s ARG 86 Cb -0.15 -2.47 0.48 0.00 -0.45 0.00 0.00 34.95 32.35 3fdg s ARG 86 CO 0.05 -0.48 1.78 0.00 -0.68 0.00 0.00 175.30 175.97 3fdg h ALA 87 N 0.18 1.25 -0.81 2.13 0.00 -1.87 -0.73 119.26 119.41 3fdg h ALA 87 Ca -0.45 0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.66 3fdg h ALA 87 Cb 1.26 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3fdg h ALA 87 CO 0.57 -0.00 0.40 1.49 0.00 0.00 0.00 179.25 181.71 3fdg h GLU 88 N 0.71 0.57 0.01 0.00 4.81 -1.94 0.22 114.58 118.95 3fdg h GLU 88 Ca 0.44 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.39 3fdg h GLU 88 Cb 0.53 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3fdg h GLU 88 CO -0.31 0.38 -1.31 1.96 -0.73 0.00 0.00 179.01 179.00 3fdg h GLN 89 N 0.59 0.01 0.09 1.92 7.50 -1.74 -3.38 115.11 120.10 3fdg h GLN 89 Ca 0.43 -0.02 -0.26 0.00 0.50 0.00 0.00 58.65 59.31 3fdg h GLN 89 Cb 0.59 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.14 3fdg h GLN 89 CO -0.35 0.80 -1.14 0.00 -1.50 0.00 0.00 178.83 176.64 3fdg h ALA 90 N 0.97 0.19 -0.36 3.87 0.00 -0.54 -3.38 119.26 120.01 3fdg h ALA 90 Ca -0.13 -0.82 0.07 0.00 0.00 0.00 0.00 54.91 54.03 3fdg h ALA 90 Cb 1.88 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 3fdg h ALA 90 CO 0.11 0.91 -0.04 1.96 0.00 0.00 0.00 179.25 182.19 3fdg h GLN 91 N 0.13 0.05 -0.63 0.00 4.20 -0.77 0.13 115.11 118.22 3fdg h GLN 91 Ca -0.12 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3fdg h GLN 91 Cb 1.83 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.57 3fdg h GLN 91 CO 0.19 0.03 0.42 -1.35 -0.67 0.00 0.00 178.83 177.45 3fdg h PRO 92 N 0.05 0.80 -0.08 1.46 0.11 -1.79 0.12 132.00 132.68 3fdg h PRO 92 Ca 0.18 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3fdg h PRO 92 Cb 0.26 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 3fdg h PRO 92 CO -0.33 0.53 -0.04 0.28 -0.21 0.00 0.00 178.00 178.23 3fdg h VAL 93 N 0.83 1.32 -0.73 3.15 2.07 -1.54 -0.87 116.25 120.48 3fdg h VAL 93 Ca 0.24 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3fdg h VAL 93 Cb -0.05 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3fdg h VAL 93 CO -0.06 0.29 0.39 0.00 0.02 0.00 0.00 177.57 178.22 3fdg h ALA 94 N 0.64 1.32 -0.52 1.67 0.00 -0.46 -1.42 119.26 120.50 3fdg h ALA 94 Ca 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3fdg h ALA 94 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fdg h ALA 94 CO 0.01 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.77 3fdg h LEU 95 N 1.02 0.81 -0.25 0.00 3.38 -0.72 0.92 115.31 120.46 3fdg h LEU 95 Ca 0.26 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3fdg h LEU 95 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fdg h LEU 95 CO -0.04 0.86 0.12 0.00 0.09 0.00 0.00 178.44 179.47 3fdg h ALA 96 N 1.24 0.30 -0.30 1.53 0.00 -0.50 0.25 119.26 121.78 3fdg h ALA 96 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3fdg h ALA 96 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3fdg h ALA 96 CO 0.02 -0.28 -0.06 0.52 0.00 0.00 0.00 179.25 179.45 3fdg h MET 97 N 0.26 0.57 -0.85 0.00 2.86 -1.05 -1.09 114.93 115.64 3fdg h MET 97 Ca 0.10 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3fdg h MET 97 Cb 0.03 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 3fdg h MET 97 CO -0.07 0.75 0.55 0.00 1.06 0.00 0.00 176.91 179.20 3fdg h ALA 98 N 0.80 1.55 -0.75 6.32 0.00 -0.76 -1.74 119.26 124.67 3fdg h ALA 98 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fdg h ALA 98 Cb 0.53 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3fdg h ALA 98 CO 0.03 0.34 0.33 0.78 0.00 0.00 0.00 179.25 180.73 3fdg h GLY 99 N 0.97 1.19 1.24 0.00 0.00 -0.68 -2.12 103.07 103.67 3fdg h GLY 99 Ca 0.36 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3fdg h GLY 99 CO -0.12 0.58 0.11 0.45 0.00 0.00 0.00 176.54 177.56 3fdg h HIS 100 N 1.07 0.99 -0.52 5.60 3.86 -0.73 -0.81 115.15 124.62 3fdg h HIS 100 Ca 0.26 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 3fdg h HIS 100 Cb 0.17 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3fdg h HIS 100 CO 0.01 0.83 0.05 1.25 0.86 0.00 0.00 177.93 180.94 3fdg h LEU 101 N 0.89 0.86 -0.56 2.43 5.85 -0.96 -0.19 115.31 123.64 3fdg h LEU 101 Ca 0.19 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3fdg h LEU 101 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3fdg h LEU 101 CO 0.01 0.92 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.83 3fdg h LEU 102 N 0.77 1.03 -0.81 2.25 3.38 -1.22 -2.68 115.31 118.02 3fdg h LEU 102 Ca 0.15 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3fdg h LEU 102 Cb 0.45 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3fdg h LEU 102 CO 0.02 1.15 0.49 -0.25 0.09 0.00 0.00 178.44 179.93 3fdg h TRP 103 N 0.90 0.89 -0.83 1.13 7.01 -0.88 -1.53 115.95 122.64 3fdg h TRP 103 Ca 0.14 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.26 3fdg h TRP 103 Cb 0.70 -0.28 -0.07 0.00 -2.10 0.00 0.00 29.16 27.41 3fdg h TRP 103 CO 0.05 0.42 0.48 0.52 -2.79 0.00 0.00 178.44 177.12 3fdg h MET 104 N 0.87 0.79 -0.28 2.65 2.86 -0.71 0.28 114.93 121.39 3fdg h MET 104 Ca 0.37 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.87 3fdg h MET 104 Cb 0.23 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3fdg h MET 104 CO -0.19 0.52 -0.17 1.49 1.06 0.00 0.00 176.91 179.62 3fdg h GLU 105 N 0.81 0.60 -0.38 1.72 4.81 -1.14 -0.35 114.58 120.65 3fdg h GLU 105 Ca 0.40 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3fdg h GLU 105 Cb 0.35 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3fdg h GLU 105 CO -0.24 0.86 0.13 0.00 -0.73 0.00 0.00 179.01 179.02 3fdg h ARG 106 N 0.34 0.27 0.00 1.92 3.08 -0.56 -3.10 114.38 116.33 3fdg h ARG 106 Ca 0.06 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3fdg h ARG 106 Cb 0.70 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3fdg h ARG 106 CO 0.05 0.18 -0.30 0.00 -1.07 0.00 0.00 179.97 178.83 3fdg h ALA 107 N 1.25 1.05 -0.01 0.04 0.00 -0.29 -2.82 119.26 118.47 3fdg h ALA 107 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fdg h ALA 107 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fdg h ALA 107 CO -0.19 0.37 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 3fdg n ALA 108 N -2.28 2.70 -3.87 0.00 0.00 -0.16 -4.95 120.51 111.96 3fdg n ALA 108 Ca -0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.79 3fdg n ALA 108 Cb 0.45 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.23 -3.36 0.00 0.00 1.74 -1.07 -2.02 116.66 111.73 3fdg n ARG 109 Ca 0.18 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3fdg n ARG 109 Cb 0.32 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.15 3fdg n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fdg n GLY 110 N -1.86 1.67 0.06 -0.13 0.00 -1.26 -4.91 105.19 98.75 3fdg n GLY 110 Ca -0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.31 -4.13 1.61 1.74 -0.85 -4.77 116.66 108.56 3fdg n ARG 111 Ca 0.00 -0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 3fdg n ARG 111 Cb 0.00 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.77 0.44 -0.04 -1.55 5.36 -1.26 -1.54 117.98 116.63 3fdg s PHE 112 Ca 0.20 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 3fdg s PHE 112 Cb 0.19 -0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.61 3fdg s PHE 112 CO 0.56 -0.01 -0.01 0.21 -1.46 0.00 0.00 175.22 174.50 3fdg s LYS 113 N -0.20 0.47 -0.16 10.12 2.20 0.22 -4.74 119.74 127.65 3fdg s LYS 113 Ca 0.01 0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 3fdg s LYS 113 Cb -0.02 -0.63 -0.00 0.00 -1.51 0.00 0.00 37.83 35.67 3fdg s LYS 113 CO -0.00 -0.14 1.05 0.08 -0.36 0.00 0.00 175.35 175.98 3fdg s VAL 114 N 1.10 4.67 -0.02 4.02 1.01 -1.26 -0.76 120.40 129.16 3fdg s VAL 114 Ca -0.09 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.88 3fdg s VAL 114 Cb -0.14 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3fdg s VAL 114 CO -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 175.10 175.02 3fdg n ARG 116 N 1.48 2.97 -4.16 0.00 1.74 -1.26 -4.61 116.66 112.82 3fdg n ARG 116 Ca -0.15 -0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 56.63 3fdg n ARG 116 Cb 0.53 -0.66 -0.10 0.00 -1.02 0.00 0.00 32.46 31.21 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 -0.48 0.63 0.29 0.55 -4.23 -1.26 -5.05 115.64 106.09 3fdg s THR 117 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3fdg s THR 117 Cb 0.00 -1.63 0.14 0.00 1.34 0.00 0.00 72.50 72.35 3fdg s THR 117 CO 0.00 -0.88 1.82 0.00 -0.54 0.00 0.00 174.62 175.03 3fdg h ALA 118 N 3.03 1.23 -0.67 3.99 0.00 -1.88 -2.13 119.26 122.84 3fdg h ALA 118 Ca -0.35 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 3fdg h ALA 118 Cb 1.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3fdg h ALA 118 CO 0.64 0.52 0.21 0.00 0.00 0.00 0.00 179.25 180.62 3fdg h ALA 119 N 1.37 1.11 -0.31 0.00 0.00 -1.97 -0.91 119.26 118.55 3fdg h ALA 119 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fdg h ALA 119 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fdg h ALA 119 CO 0.01 0.61 0.10 0.93 0.00 0.00 0.00 179.25 180.90 3fdg h GLU 120 N 0.98 0.48 -0.40 0.00 5.08 -1.84 -0.87 114.58 118.01 3fdg h GLU 120 Ca 0.22 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3fdg h GLU 120 Cb 0.28 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3fdg h GLU 120 CO -0.01 0.52 -0.03 0.28 -1.00 0.00 0.00 179.01 178.77 3fdg h VAL 121 N 0.35 0.67 -0.49 3.13 2.07 -1.17 -1.23 116.25 119.58 3fdg h VAL 121 Ca 0.10 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3fdg h VAL 121 Cb 0.23 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3fdg h VAL 121 CO -0.00 0.01 0.04 0.03 0.02 0.00 0.00 177.57 177.67 3fdg h ARG 122 N 0.07 0.79 -0.42 1.57 3.08 -0.85 -1.78 114.38 116.84 3fdg h ARG 122 Ca 0.20 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3fdg h ARG 122 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3fdg h ARG 122 CO -0.35 0.77 -0.16 1.03 -1.07 0.00 0.00 179.97 180.19 3fdg h SER 123 N 0.75 0.80 -0.68 7.04 0.87 -0.93 -1.19 113.55 120.20 3fdg h SER 123 Ca 0.15 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3fdg h SER 123 Cb 0.39 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3fdg h SER 123 CO 0.01 0.96 0.44 0.00 -0.53 0.00 0.00 176.83 177.71 3fdg h HIS 125 N 0.88 -0.31 -0.82 0.00 6.17 -0.97 0.16 115.15 120.26 3fdg h HIS 125 Ca 0.26 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.43 3fdg h HIS 125 Cb -0.04 0.10 -0.06 0.00 2.52 0.00 0.00 27.41 29.93 3fdg h HIS 125 CO -0.04 -0.19 0.53 0.00 0.71 0.00 0.00 177.93 178.95 3fdg h ALA 126 N 0.42 1.72 -0.01 5.26 0.00 -0.99 -2.62 119.26 123.04 3fdg h ALA 126 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fdg h ALA 126 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fdg h ALA 126 CO 0.06 0.11 -0.19 -0.25 0.00 0.00 0.00 179.25 178.98 3fdg n ASP 127 N -4.51 1.33 -1.76 0.00 8.00 -0.19 -4.94 116.55 114.47 3fdg n ASP 127 Ca 0.14 -1.16 -0.15 0.00 0.71 0.00 0.00 54.79 54.32 3fdg n ASP 127 Cb 0.32 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.30 -0.26 3.76 0.44 0.00 0.08 -5.02 105.19 105.49 3fdg n GLY 128 Ca 0.14 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.77 5.38 0.11 -0.61 1.01 0.33 -5.03 121.20 119.62 3fdg s ILE 129 Ca 0.01 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3fdg s ILE 129 Cb -0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 3fdg s ILE 129 CO 0.01 0.46 1.22 -0.69 0.00 0.00 0.00 174.94 175.95 3fdg s VAL 130 N 0.08 3.79 0.14 2.92 1.01 -0.59 -4.32 120.40 123.43 3fdg s VAL 130 Ca 0.12 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.48 3fdg s VAL 130 Cb -0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3fdg s VAL 130 CO 0.01 0.14 0.22 -0.94 0.00 0.00 0.00 175.10 174.54 3fdg s SER 131 N 0.74 6.08 -0.01 3.32 1.04 -0.30 -0.61 113.70 123.97 3fdg s SER 131 Ca 0.57 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 57.09 3fdg s SER 131 Cb -0.31 -1.77 0.01 0.00 0.10 0.00 0.00 66.02 64.05 3fdg s SER 131 CO 0.32 0.08 0.02 -0.83 0.98 0.00 0.00 173.24 173.80 3fdg s GLY 132 N -3.07 0.03 -0.17 7.32 0.00 0.06 -1.65 107.32 109.84 3fdg s GLY 132 Ca 0.33 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.13 3fdg s GLY 132 CO 0.27 0.26 -0.01 -0.42 0.00 0.00 0.00 173.10 173.20 3fdg s ILE 133 N 0.37 4.11 -0.18 0.90 1.01 -0.11 -0.65 121.20 126.65 3fdg s ILE 133 Ca -0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3fdg s ILE 133 Cb -0.04 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3fdg s ILE 133 CO -0.01 0.47 1.45 -0.32 0.00 0.00 0.00 174.94 176.53 3fdg s MET 134 N 0.50 4.05 0.03 2.79 -2.45 -1.26 -0.18 119.30 122.77 3fdg s MET 134 Ca -0.01 1.70 0.06 0.00 -1.25 0.00 0.00 55.69 56.18 3fdg s MET 134 Cb -0.14 -3.90 -0.02 0.00 1.25 0.00 0.00 34.83 32.02 3fdg s MET 134 CO 0.02 -0.97 -0.18 -1.58 1.05 0.00 0.00 175.02 173.37 3fdg s HIS 135 N 4.23 1.55 -0.16 4.11 2.46 -0.93 -1.53 115.29 125.02 3fdg s HIS 135 Ca 0.63 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.82 3fdg s HIS 135 Cb -0.24 -0.93 -0.00 0.00 -0.13 0.00 0.00 32.58 31.27 3fdg s HIS 135 CO 0.23 0.05 -0.15 1.41 -2.47 0.00 0.00 174.74 173.81 3fdg s MET 136 N -0.99 3.20 -0.53 2.88 1.75 -0.66 0.99 119.30 125.94 3fdg s MET 136 Ca 0.05 -0.75 -0.10 0.00 -1.25 0.00 0.00 55.69 53.64 3fdg s MET 136 Cb -0.08 -2.63 0.13 0.00 2.84 0.00 0.00 34.83 35.09 3fdg s MET 136 CO 0.01 -0.01 0.41 -2.00 -0.65 0.00 0.00 175.02 172.78 3fdg s GLU 137 N 0.88 2.64 0.00 4.11 2.12 0.97 -0.51 118.70 128.91 3fdg s GLU 137 Ca -0.04 -1.91 0.00 0.00 0.36 0.00 0.00 54.97 53.38 3fdg s GLU 137 Cb -0.15 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.25 3fdg s GLU 137 CO -0.01 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.90 3fdg n GLY 138 N 4.69 0.56 2.04 -1.50 0.00 0.13 -4.45 105.19 106.66 3fdg n GLY 138 Ca -0.05 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 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 2.32 5.12 -0.23 4.61 0.00 -0.70 -4.62 120.51 127.01 3fdg n ALA 139 Ca 0.00 -2.74 0.16 0.00 0.00 0.00 0.00 53.44 50.86 3fdg n ALA 139 Cb 0.00 -1.31 0.47 0.00 0.00 0.00 0.00 19.45 18.61 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 1.55 0.48 0.00 0.00 3.07 -1.87 0.61 114.58 118.43 3fdg h GLU 140 Ca 0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3fdg h GLU 140 Cb 2.57 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.37 3fdg h GLU 140 CO 0.91 0.32 0.00 0.00 -1.40 0.00 0.00 179.01 178.84 3fdg n ALA 141 N -2.49 2.17 -2.88 3.43 0.00 -1.26 -3.19 120.51 116.29 3fdg n ALA 141 Ca 0.17 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 3fdg n ALA 141 Cb 0.58 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.34 4.62 0.80 0.00 1.01 0.21 -4.76 121.20 120.73 3fdg s ILE 142 Ca 0.25 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 3fdg s ILE 142 Cb 0.14 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.57 3fdg s ILE 142 CO 0.29 0.40 1.09 -0.83 0.00 0.00 0.00 174.94 175.89 3fdg s GLY 143 N 0.93 1.67 0.55 6.18 0.00 -1.26 -4.84 107.32 110.56 3fdg s GLY 143 Ca 0.04 0.24 0.27 0.00 0.00 0.00 0.00 44.72 45.26 3fdg s GLY 143 CO 0.03 0.61 1.99 0.00 0.00 0.00 0.00 173.10 175.72 3fdg h ALA 144 N -1.23 2.37 0.00 3.20 0.00 -1.96 0.02 119.26 121.66 3fdg h ALA 144 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3fdg h ALA 144 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fdg h ALA 144 CO 0.51 -0.64 -0.00 0.38 0.00 0.00 0.00 179.25 179.50 3fdg h ASP 145 N 0.00 0.00 0.00 0.00 2.03 -1.97 -3.47 116.42 113.00 3fdg h ASP 145 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3fdg h ASP 145 Cb 1.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 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 -3.10 0.33 -0.23 0.15 4.77 -0.01 -4.89 117.00 114.01 3fdg n LEU 146 Ca -0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3fdg n LEU 146 Cb 0.24 -0.66 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 3fdg n LEU 146 CO 0.25 -0.21 1.08 0.44 -1.33 0.00 0.00 177.39 177.63 3fdg h ASP 147 N 0.00 0.52 0.10 -1.43 3.32 -1.91 -1.25 116.42 115.76 3fdg h ASP 147 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3fdg h ASP 147 Cb 0.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3fdg h ASP 147 CO 0.00 0.33 -0.10 0.00 -1.72 0.00 0.00 179.24 177.74 3fdg h ALA 148 N 1.37 1.81 -0.49 3.45 0.00 -1.89 -2.65 119.26 120.86 3fdg h ALA 148 Ca 0.31 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3fdg h ALA 148 Cb 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3fdg h ALA 148 CO -0.20 0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.55 3fdg h LEU 149 N 0.02 0.04 -0.90 0.00 5.85 -1.57 0.16 115.31 118.90 3fdg h LEU 149 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3fdg h LEU 149 Cb 0.19 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3fdg h LEU 149 CO 0.01 0.05 0.52 0.45 -0.34 0.00 0.00 178.44 179.13 3fdg h HIS 150 N 0.26 1.22 -0.11 1.25 3.86 -1.48 0.15 115.15 120.29 3fdg h HIS 150 Ca 0.24 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3fdg h HIS 150 Cb 0.31 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3fdg h HIS 150 CO -0.21 0.82 0.02 -0.07 0.86 0.00 0.00 177.93 179.36 3fdg h LEU 151 N 1.25 0.16 -1.07 2.43 3.38 -1.26 -2.11 115.31 118.09 3fdg h LEU 151 Ca 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fdg h LEU 151 Cb -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3fdg h LEU 151 CO -0.06 0.36 0.51 -0.26 0.09 0.00 0.00 178.44 179.08 3fdg h PHE 152 N -0.04 1.11 -0.95 1.13 0.04 -0.54 -1.78 116.94 115.91 3fdg h PHE 152 Ca 0.03 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3fdg h PHE 152 Cb 0.26 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 3fdg h PHE 152 CO 0.01 0.74 0.58 1.25 -0.60 0.00 0.00 178.31 180.28 3fdg h HIS 153 N 1.16 1.25 -0.24 -0.55 2.76 -0.57 -1.00 115.15 117.96 3fdg h HIS 153 Ca 0.30 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.44 3fdg h HIS 153 Cb -0.05 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.49 3fdg h HIS 153 CO 0.00 0.82 -0.01 0.77 -1.30 0.00 0.00 177.93 178.21 3fdg h SER 154 N 1.31 0.33 0.97 3.26 0.02 -0.74 -2.25 113.55 116.45 3fdg h SER 154 Ca 0.34 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3fdg h SER 154 Cb -0.06 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3fdg h SER 154 CO -0.06 0.40 0.00 -0.07 -1.14 0.00 0.00 176.83 175.95 3fdg h LEU 155 N 0.35 0.00 0.00 5.07 3.38 -0.40 -3.46 115.31 120.24 3fdg h LEU 155 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fdg h LEU 155 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3fdg h LEU 155 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3fdg n GLY 156 N 0.29 1.27 3.72 0.83 0.00 -0.84 -5.10 105.19 105.36 3fdg n GLY 156 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.39 0.00 0.99 2.96 -0.52 -4.38 118.68 122.12 3fdg s LEU 157 Ca 0.00 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 3fdg s LEU 157 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3fdg s LEU 157 CO 0.00 -0.58 0.29 0.54 -1.32 0.00 0.00 176.35 175.28 3fdg n ARG 158 N 3.36 -0.14 -3.75 1.98 5.12 -0.59 -4.53 116.66 118.12 3fdg n ARG 158 Ca 0.09 -0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.56 3fdg n ARG 158 Cb 0.43 -0.71 -0.10 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.07 -0.37 -0.12 0.55 0.15 -1.20 -1.47 113.70 111.19 3fdg s SER 159 Ca 0.00 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 3fdg s SER 159 Cb 0.00 0.72 0.05 0.00 -1.71 0.00 0.00 66.02 65.09 3fdg s SER 159 CO 0.00 -0.13 0.26 -0.22 1.20 0.00 0.00 173.24 174.35 3fdg s LEU 160 N 0.15 0.16 -0.32 3.45 2.96 0.47 -1.65 118.68 123.91 3fdg s LEU 160 Ca -0.00 0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 3fdg s LEU 160 Cb -0.03 0.75 -0.02 0.00 0.50 0.00 0.00 46.19 47.39 3fdg s LEU 160 CO 0.01 -0.19 0.36 -0.83 -1.32 0.00 0.00 176.35 174.37 3fdg s GLY 161 N 1.63 1.89 0.46 7.98 0.00 0.33 -0.57 107.32 119.05 3fdg s GLY 161 Ca -0.06 -1.07 0.12 0.00 0.00 0.00 0.00 44.72 43.72 3fdg s GLY 161 CO -0.09 0.98 2.08 -2.55 0.00 0.00 0.00 173.10 173.52 3fdg h PRO 162 N 8.37 0.29 -5.43 2.90 0.11 -1.86 0.38 132.00 136.77 3fdg h PRO 162 Ca -0.31 -0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.37 3fdg h PRO 162 Cb 1.15 -0.07 -0.19 0.00 0.11 0.00 0.00 31.00 32.00 3fdg h PRO 162 CO 0.67 0.19 -0.77 0.14 -0.21 0.00 0.00 178.00 178.03 3fdg s VAL 163 N -5.30 1.28 0.00 3.15 -7.23 -1.26 -1.72 120.40 109.32 3fdg s VAL 163 Ca -0.07 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3fdg s VAL 163 Cb 0.18 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.71 3fdg s VAL 163 CO 0.71 -0.35 0.00 1.87 -0.31 0.00 0.00 175.10 177.02 3fdg n TRP 164 N 0.75 -0.22 -2.65 2.82 -0.00 -1.26 -3.93 117.44 112.94 3fdg n TRP 164 Ca -0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 56.90 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 -0.23 5.16 0.00 5.87 7.64 -1.26 -3.77 113.62 127.03 3fdg n SER 165 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 3fdg n SER 165 Cb 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 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 4.79 0.00 -2.23 1.43 0.63 -1.26 -4.40 116.66 115.61 3fdg n ARG 166 Ca 0.38 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.92 3fdg n ARG 166 Cb 0.40 0.00 -0.02 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 -0.33 4.15 0.44 -0.14 0.04 -1.26 -4.05 135.00 133.84 3fdg s PRO 167 Ca 0.00 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.04 3fdg s PRO 167 Cb 0.00 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 3fdg s PRO 167 CO 0.00 -0.28 0.12 0.95 0.04 0.00 0.00 177.00 177.84 3fdg s THR 168 N -1.31 0.62 -1.11 1.26 -4.23 -0.44 -4.39 115.64 106.04 3fdg s THR 168 Ca 0.54 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.21 3fdg s THR 168 Cb -0.34 -2.27 0.17 0.00 1.34 0.00 0.00 72.50 71.40 3fdg s THR 168 CO 0.43 0.00 1.49 1.33 -0.54 0.00 0.00 174.62 177.33 3fdg n VAL 169 N -1.00 0.83 -0.01 2.29 0.24 -1.26 -3.29 118.33 116.13 3fdg n VAL 169 Ca -0.08 0.21 0.06 0.00 -2.04 0.00 0.00 64.34 62.48 3fdg n VAL 169 Cb 0.65 -0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 31.94 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 -1.44 0.21 -3.15 6.34 3.72 -1.26 -4.34 117.46 117.53 3fdg n PHE 170 Ca 0.05 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3fdg n PHE 170 Cb 0.17 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 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 -0.53 3.12 1.37 0.00 -1.21 -1.32 105.19 107.98 3fdg n GLY 171 Ca -0.10 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.89 1.54 0.33 1.61 3.76 -1.26 -1.33 115.29 117.05 3fdg s HIS 172 Ca 0.00 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 3fdg s HIS 172 Cb 0.00 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 3fdg s HIS 172 CO 0.00 -0.13 0.50 0.20 -0.85 0.00 0.00 174.74 174.46 3fdg s GLY 173 N -0.02 1.37 0.33 -2.22 0.00 -1.25 -2.35 107.32 103.18 3fdg s GLY 173 Ca -0.02 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 3fdg s GLY 173 CO 0.01 -1.04 1.04 -1.34 0.00 0.00 0.00 173.10 171.77 3fdg s VAL 174 N -2.23 3.76 0.73 1.40 -7.23 0.28 -4.48 120.40 112.64 3fdg s VAL 174 Ca 0.40 1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 62.00 3fdg s VAL 174 Cb -0.09 -3.89 0.03 0.00 0.56 0.00 0.00 36.38 32.99 3fdg s VAL 174 CO 0.34 0.19 1.08 -2.16 -0.31 0.00 0.00 175.10 174.24 3fdg s PRO 175 N -1.96 2.55 -0.22 4.82 0.04 -1.26 -4.51 135.00 134.46 3fdg s PRO 175 Ca 0.51 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3fdg s PRO 175 Cb -0.25 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3fdg s PRO 175 CO 0.32 -1.41 1.15 -0.06 0.04 0.00 0.00 177.00 177.04 3fdg s PHE 176 N -2.89 3.07 -0.07 0.56 0.08 -1.26 -4.74 117.98 112.73 3fdg s PHE 176 Ca 0.61 1.21 -0.19 0.00 0.12 0.00 0.00 56.93 58.67 3fdg s PHE 176 Cb -0.16 -3.45 0.04 0.00 -0.57 0.00 0.00 43.02 38.88 3fdg s PHE 176 CO 0.54 -1.10 0.45 0.50 -0.10 0.00 0.00 175.22 175.51 3fdg s ARG 177 N 3.43 0.74 -0.15 0.44 3.52 -1.26 -0.88 118.95 124.78 3fdg s ARG 177 Ca 0.49 0.18 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 3fdg s ARG 177 Cb -0.18 0.34 0.06 0.00 -1.56 0.00 0.00 34.95 33.61 3fdg s ARG 177 CO 0.12 -0.19 0.36 0.12 -0.81 0.00 0.00 175.30 174.90 3fdg s PHE 178 N -0.83 -0.53 0.54 5.12 5.36 -0.48 -2.08 117.98 125.08 3fdg s PHE 178 Ca -0.09 1.15 -0.09 0.00 -0.96 0.00 0.00 56.93 56.94 3fdg s PHE 178 Cb -0.03 0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 3fdg s PHE 178 CO 0.05 -0.32 0.90 -1.25 -1.46 0.00 0.00 175.22 173.14 3fdg s PRO 179 N 1.42 3.60 0.00 10.12 0.04 -1.26 -1.70 135.00 147.22 3fdg s PRO 179 Ca -0.09 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.44 3fdg s PRO 179 Cb -0.09 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3fdg s PRO 179 CO -0.12 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3fdg n GLY 180 N -2.36 1.10 3.79 0.56 0.00 -0.56 -4.95 105.19 102.77 3fdg n GLY 180 Ca 0.03 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 6.21 0.00 1.61 0.15 -1.26 -3.50 113.70 116.91 3fdg s SER 181 Ca 0.00 2.00 0.21 0.00 0.70 0.00 0.00 55.95 58.86 3fdg s SER 181 Cb 0.00 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 62.88 3fdg s SER 181 CO 0.00 -0.88 1.64 -0.81 1.20 0.00 0.00 173.24 174.39 3fdg n PRO 182 N -0.99 0.47 -2.69 5.44 -0.04 -1.26 -4.41 135.00 131.51 3fdg n PRO 182 Ca 0.10 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3fdg n PRO 182 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3fdg n PRO 182 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3fdg s ASP 183 N -2.29 6.86 -0.00 3.54 2.15 -1.26 -0.71 116.67 124.96 3fdg s ASP 183 Ca 0.25 -2.49 0.03 0.00 0.43 0.00 0.00 52.55 50.78 3fdg s ASP 183 Cb 0.14 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 3fdg s ASP 183 CO 0.28 -1.08 0.12 0.35 -0.17 0.00 0.00 175.17 174.67 3fdg n THR 184 N 5.92 0.00 -2.70 1.71 -2.24 -1.26 -4.96 114.28 110.75 3fdg n THR 184 Ca 0.43 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3fdg n THR 184 Cb 0.46 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3fdg n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fdg n GLY 185 N 1.39 1.23 3.83 3.38 0.00 -1.26 -4.98 105.19 108.78 3fdg n GLY 185 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 1.09 3.23 0.00 1.61 2.02 -1.26 -4.55 118.70 120.83 3fdg s GLU 186 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.95 3fdg s GLU 186 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3fdg s GLU 186 CO 0.00 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.82 3fdg n GLY 187 N -1.92 -0.90 3.76 -1.39 0.00 -1.26 -4.23 105.19 99.25 3fdg n GLY 187 Ca 0.07 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 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 4.00 0.93 0.99 1.43 -1.26 -4.36 118.68 120.40 3fdg s LEU 188 Ca 0.00 2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 3fdg s LEU 188 Cb 0.00 -4.20 0.15 0.00 0.03 0.00 0.00 46.19 42.18 3fdg s LEU 188 CO 0.00 -1.10 1.17 0.42 0.23 0.00 0.00 176.35 177.07 3fdg s THR 189 N -1.43 1.96 0.22 5.49 -4.23 -0.43 -4.85 115.64 112.37 3fdg s THR 189 Ca 0.65 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3fdg s THR 189 Cb -0.34 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 70.88 3fdg s THR 189 CO 0.41 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 175.86 3fdg h GLU 190 N -1.55 0.25 -0.91 3.99 4.39 -1.89 -0.85 114.58 118.02 3fdg h GLU 190 Ca -0.48 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.24 3fdg h GLU 190 Cb 1.31 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 3fdg h GLU 190 CO 0.56 0.17 0.60 0.00 -1.16 0.00 0.00 179.01 179.18 3fdg h ALA 191 N 1.51 1.44 -0.38 3.43 0.00 -1.90 -1.57 119.26 121.79 3fdg h ALA 191 Ca 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3fdg h ALA 191 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fdg h ALA 191 CO -0.43 0.47 -0.10 0.78 0.00 0.00 0.00 179.25 179.96 3fdg h GLY 192 N 1.12 0.72 1.21 0.00 0.00 -1.29 0.75 103.07 105.59 3fdg h GLY 192 Ca 0.37 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3fdg h GLY 192 CO -0.12 0.48 -0.05 3.21 0.00 0.00 0.00 176.54 180.06 3fdg h ARG 193 N 0.61 0.94 -0.74 4.80 3.08 -0.80 -1.07 114.38 121.20 3fdg h ARG 193 Ca 0.11 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3fdg h ARG 193 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3fdg h ARG 193 CO 0.03 0.96 0.30 0.00 -1.07 0.00 0.00 179.97 180.19 3fdg h ARG 194 N 0.85 1.09 -0.50 0.04 3.08 -0.93 -2.57 114.38 115.44 3fdg h ARG 194 Ca 0.15 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3fdg h ARG 194 Cb 0.57 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3fdg h ARG 194 CO 0.03 0.88 0.22 1.25 -1.07 0.00 0.00 179.97 181.29 3fdg h LEU 195 N 1.07 0.67 -0.27 3.04 5.85 -0.41 0.05 115.31 125.31 3fdg h LEU 195 Ca 0.25 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3fdg h LEU 195 Cb 0.19 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3fdg h LEU 195 CO -0.02 0.63 0.03 0.58 -0.34 0.00 0.00 178.44 179.31 3fdg h VAL 196 N 0.66 0.84 -0.67 1.05 2.07 -1.05 0.05 116.25 119.20 3fdg h VAL 196 Ca 0.17 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3fdg h VAL 196 Cb 0.15 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3fdg h VAL 196 CO -0.02 0.02 0.38 0.00 0.02 0.00 0.00 177.57 177.97 3fdg h ALA 197 N 1.21 0.86 -0.06 1.67 0.00 -1.15 -0.72 119.26 121.08 3fdg h ALA 197 Ca 0.12 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3fdg h ALA 197 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3fdg h ALA 197 CO -0.19 0.37 -0.70 1.49 0.00 0.00 0.00 179.25 180.22 3fdg h GLU 198 N 0.92 0.28 -0.25 0.00 4.57 -0.79 -1.61 114.58 117.70 3fdg h GLU 198 Ca 0.24 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 3fdg h GLU 198 Cb 0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3fdg h GLU 198 CO -0.04 0.87 -0.31 0.00 -1.18 0.00 0.00 179.01 178.35 3fdg h ASN 200 N 0.44 0.44 -0.51 0.00 2.35 -0.76 0.52 115.58 118.07 3fdg h ASN 200 Ca 0.05 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3fdg h ASN 200 Cb 0.76 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3fdg h ASN 200 CO 0.06 0.34 0.16 -0.09 -1.65 0.00 0.00 177.43 176.25 3fdg h ARG 201 N 0.51 0.79 -0.00 0.81 2.43 -1.10 -2.30 114.38 115.51 3fdg h ARG 201 Ca 0.14 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fdg h ARG 201 Cb -0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3fdg h ARG 201 CO -0.03 0.73 -0.01 1.28 -1.51 0.00 0.00 179.97 180.44 3fdg n LEU 202 N -4.49 0.02 -3.48 3.80 4.77 -0.32 -4.93 117.00 112.36 3fdg n LEU 202 Ca 0.02 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 3fdg n LEU 202 Cb 0.19 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3fdg n LEU 202 CO 0.39 0.00 0.19 0.29 -1.33 0.00 0.00 177.39 176.94 3fdg n LYS 203 N -1.30 -7.34 -3.40 3.23 4.76 -0.12 -5.01 118.16 108.98 3fdg n LYS 203 Ca 0.13 0.82 -0.39 0.00 -2.87 0.00 0.00 58.31 56.01 3fdg n LYS 203 Cb 0.25 -5.81 -0.09 0.00 -1.84 0.00 0.00 35.03 27.54 3fdg n LYS 203 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fdg s ILE 204 N -3.33 5.18 0.19 -0.18 1.01 -0.01 -4.66 121.20 119.40 3fdg s ILE 204 Ca 0.36 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 3fdg s ILE 204 Cb -0.16 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3fdg s ILE 204 CO 0.72 0.18 1.35 -0.32 0.00 0.00 0.00 174.94 176.86 3fdg s MET 205 N 1.90 4.35 -0.02 2.79 -2.45 -0.54 -4.45 119.30 120.88 3fdg s MET 205 Ca 0.15 2.10 -0.14 0.00 -1.25 0.00 0.00 55.69 56.56 3fdg s MET 205 Cb -0.15 -3.19 -0.05 0.00 1.25 0.00 0.00 34.83 32.68 3fdg s MET 205 CO 0.09 -0.32 0.38 -0.51 1.05 0.00 0.00 175.02 175.71 3fdg s LEU 206 N 0.09 4.45 -0.20 4.11 1.43 -1.26 -0.40 118.68 126.90 3fdg s LEU 206 Ca 0.59 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.56 3fdg s LEU 206 Cb -0.37 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 3fdg s LEU 206 CO 0.37 0.32 -0.08 -0.62 0.23 0.00 0.00 176.35 176.58 3fdg s ASP 207 N -0.98 4.10 0.00 2.29 2.15 0.26 -4.09 116.67 120.40 3fdg s ASP 207 Ca 0.23 -0.42 0.26 0.00 0.43 0.00 0.00 52.55 53.05 3fdg s ASP 207 Cb -0.16 -1.68 0.62 0.00 -0.30 0.00 0.00 42.92 41.39 3fdg s ASP 207 CO 0.12 0.01 1.48 0.18 -0.17 0.00 0.00 175.17 176.79 3fdg n LEU 208 N 4.58 0.74 -4.76 -1.34 4.77 0.85 -4.03 117.00 117.81 3fdg n LEU 208 Ca -0.19 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 3fdg n LEU 208 Cb 0.51 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3fdg n LEU 208 CO 0.29 0.16 1.24 -0.44 -1.33 0.00 0.00 177.39 177.30 3fdg s SER 209 N -2.77 6.34 0.00 -1.43 0.01 -1.26 -0.81 113.70 113.78 3fdg s SER 209 Ca 0.17 2.99 0.00 0.00 1.31 0.00 0.00 55.95 60.42 3fdg s SER 209 Cb 0.18 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3fdg s SER 209 CO 0.62 -0.92 0.00 1.41 0.41 0.00 0.00 173.24 174.75 3fdg n HIS 210 N 1.84 0.00 -2.02 2.43 8.25 -1.26 -4.84 115.22 119.62 3fdg n HIS 210 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 3fdg n HIS 210 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 4.27 0.92 2.41 2.96 0.01 -0.55 118.68 128.69 3fdg s LEU 211 Ca 0.00 2.73 -0.13 0.00 -0.22 0.00 0.00 54.13 56.51 3fdg s LEU 211 Cb 0.00 -3.82 0.14 0.00 0.50 0.00 0.00 46.19 43.01 3fdg s LEU 211 CO 0.00 -0.80 1.14 0.54 -1.32 0.00 0.00 176.35 175.91 3fdg s ASN 212 N -0.60 3.44 0.20 3.68 2.20 -0.99 -4.62 114.94 118.25 3fdg s ASN 212 Ca 0.55 0.92 -0.08 0.00 -0.94 0.00 0.00 52.86 53.31 3fdg s ASN 212 Cb -0.40 -1.47 0.12 0.00 -2.00 0.00 0.00 41.25 37.51 3fdg s ASN 212 CO 0.52 -2.59 1.71 -0.08 -2.94 0.00 0.00 177.10 173.71 3fdg h GLU 213 N -1.53 1.12 -0.61 3.55 4.81 -1.26 0.18 114.58 120.85 3fdg h GLU 213 Ca -0.50 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.43 3fdg h GLU 213 Cb 1.33 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3fdg h GLU 213 CO 0.60 1.01 0.33 0.87 -0.73 0.00 0.00 179.01 181.09 3fdg h LYS 214 N 1.06 0.86 -0.46 1.92 1.57 -1.83 0.04 116.57 119.71 3fdg h LYS 214 Ca 0.21 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3fdg h LYS 214 Cb 0.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3fdg h LYS 214 CO 0.01 0.66 0.19 0.78 -0.57 0.00 0.00 179.45 180.52 3fdg h GLY 215 N 0.83 0.73 0.43 3.86 0.00 -1.73 -1.05 103.07 106.14 3fdg h GLY 215 Ca 0.21 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3fdg h GLY 215 CO -0.03 0.37 -0.07 -2.75 0.00 0.00 0.00 176.54 174.06 3fdg h PHE 216 N 0.60 -0.15 -0.99 5.60 3.57 -0.68 0.00 116.94 124.90 3fdg h PHE 216 Ca 0.15 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3fdg h PHE 216 Cb 0.18 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 3fdg h PHE 216 CO 0.00 -0.12 0.63 -0.44 -2.23 0.00 0.00 178.31 176.15 3fdg h ASP 217 N 0.00 1.01 -0.24 0.41 3.32 -0.59 0.46 116.42 120.79 3fdg h ASP 217 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3fdg h ASP 217 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3fdg h ASP 217 CO -0.30 0.64 0.12 0.44 -1.72 0.00 0.00 179.24 178.42 3fdg h ASP 218 N 1.14 0.31 -0.73 6.45 3.32 -0.52 -1.67 116.42 124.72 3fdg h ASP 218 Ca 0.43 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3fdg h ASP 218 Cb 0.18 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3fdg h ASP 218 CO -0.18 0.34 0.39 0.58 -1.72 0.00 0.00 179.24 178.66 3fdg h VAL 219 N 0.26 1.23 -0.71 -1.35 2.07 -0.32 0.18 116.25 117.60 3fdg h VAL 219 Ca 0.08 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3fdg h VAL 219 Cb 0.11 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3fdg h VAL 219 CO -0.01 0.26 0.42 0.00 0.02 0.00 0.00 177.57 178.25 3fdg h ALA 220 N 1.20 1.41 -0.13 1.67 0.00 -0.83 0.24 119.26 122.82 3fdg h ALA 220 Ca 0.26 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3fdg h ALA 220 Cb 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3fdg h ALA 220 CO -0.04 0.51 -0.81 -0.09 0.00 0.00 0.00 179.25 178.81 3fdg h ARG 221 N 0.97 0.76 0.00 0.00 2.43 -0.83 -3.40 114.38 114.31 3fdg h ARG 221 Ca 0.25 -0.64 -0.35 0.00 -0.81 0.00 0.00 59.98 58.43 3fdg h ARG 221 Cb -0.03 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3fdg h ARG 221 CO -0.05 1.25 -2.20 1.28 -1.51 0.00 0.00 179.97 178.74 3fdg n LEU 222 N -3.92 0.38 -4.76 3.80 4.77 0.01 -4.96 117.00 112.32 3fdg n LEU 222 Ca -0.08 0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 3fdg n LEU 222 Cb 0.77 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 42.15 3fdg n LEU 222 CO 0.53 0.49 0.74 -0.55 -1.33 0.00 0.00 177.39 177.27 3fdg s SER 223 N -5.71 7.21 0.00 -1.43 0.15 0.80 -4.90 113.70 109.81 3fdg s SER 223 Ca -0.10 2.12 0.19 0.00 0.70 0.00 0.00 55.95 58.87 3fdg s SER 223 Cb 0.07 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.29 3fdg s SER 223 CO 0.82 -0.17 1.43 -0.90 1.20 0.00 0.00 173.24 175.62 3fdg n ASP 224 N 0.87 2.84 -4.48 5.45 5.68 -1.26 -4.94 116.55 120.71 3fdg n ASP 224 Ca 0.01 -1.95 -0.24 0.00 -0.50 0.00 0.00 54.79 52.11 3fdg n ASP 224 Cb 0.47 -0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.41 2.76 0.33 2.12 0.00 -1.26 -5.10 121.76 119.20 3fdg s ALA 225 Ca 0.37 -1.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.18 3fdg s ALA 225 Cb 0.20 -0.28 -0.13 0.00 0.00 0.00 0.00 23.12 22.91 3fdg s ALA 225 CO 0.27 0.28 1.21 -2.30 0.00 0.00 0.00 175.76 175.22 3fdg n PRO 226 N -0.61 1.90 -2.79 0.00 -0.02 -1.26 -4.92 135.00 127.31 3fdg n PRO 226 Ca -0.05 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3fdg n PRO 226 Cb 0.60 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.63 4.43 -0.01 2.45 1.43 -1.26 -4.85 118.68 120.25 3fdg s LEU 227 Ca 0.56 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 3fdg s LEU 227 Cb -0.60 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 3fdg s LEU 227 CO 0.62 -0.13 -0.12 -0.69 0.23 0.00 0.00 176.35 176.26 3fdg s VAL 228 N 0.41 0.92 -0.23 -1.59 1.01 -1.26 -2.13 120.40 117.53 3fdg s VAL 228 Ca 0.47 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3fdg s VAL 228 Cb -0.22 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.45 3fdg s VAL 228 CO 0.27 0.26 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 3fdg s ALA 229 N -0.27 1.84 0.00 5.51 0.00 -0.76 -0.10 121.76 127.99 3fdg s ALA 229 Ca 0.04 -1.31 0.27 0.00 0.00 0.00 0.00 51.96 50.96 3fdg s ALA 229 Cb -0.05 -1.42 0.93 0.00 0.00 0.00 0.00 23.12 22.58 3fdg s ALA 229 CO -0.00 -1.22 1.82 1.79 0.00 0.00 0.00 175.76 178.15 3fdg h THR 230 N 6.64 0.28 -1.05 0.00 1.35 -1.86 -1.08 112.91 117.19 3fdg h THR 230 Ca -0.17 -0.95 -0.35 0.00 -0.55 0.00 0.00 66.41 64.39 3fdg h THR 230 Cb 1.07 1.76 -0.24 0.00 -1.73 0.00 0.00 68.15 69.01 3fdg h THR 230 CO 0.41 0.12 -0.73 0.00 -0.25 0.00 0.00 175.52 175.07 3fdg n HIS 231 N -3.22 -2.31 -3.80 4.73 1.44 -1.24 -3.72 115.22 107.10 3fdg n HIS 231 Ca 0.01 -2.38 -0.12 0.00 -2.01 0.00 0.00 57.72 53.22 3fdg n HIS 231 Cb 0.42 0.85 -0.09 0.00 0.12 0.00 0.00 29.99 31.30 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 -0.85 -0.10 0.00 4.39 0.01 -0.63 -4.66 113.70 111.86 3fdg s SER 232 Ca 0.33 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3fdg s SER 232 Cb 0.15 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3fdg s SER 232 CO -0.17 -0.43 0.00 0.59 0.41 0.00 0.00 173.24 173.64 3fdg n ASN 233 N 1.29 1.49 -4.53 2.44 3.02 -1.26 -4.34 115.26 113.36 3fdg n ASN 233 Ca -0.22 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.92 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 -2.01 3.48 0.31 5.41 0.00 -1.26 -0.51 121.76 127.18 3fdg s ALA 234 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3fdg s ALA 234 Cb 0.00 -2.88 0.52 0.00 0.00 0.00 0.00 23.12 20.76 3fdg s ALA 234 CO 0.00 -1.20 1.88 1.25 0.00 0.00 0.00 175.76 177.69 3fdg h HIS 235 N 8.53 0.74 -0.91 0.00 2.76 -1.10 -0.26 115.15 124.89 3fdg h HIS 235 Ca -0.29 -0.05 0.23 0.00 -2.20 0.00 0.00 60.37 58.06 3fdg h HIS 235 Cb 1.14 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.82 3fdg h HIS 235 CO 0.67 0.61 0.62 0.00 -1.30 0.00 0.00 177.93 178.53 3fdg h ALA 236 N 1.45 2.46 0.03 5.26 0.00 -1.93 -2.77 119.26 123.76 3fdg h ALA 236 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 3fdg h ALA 236 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3fdg h ALA 236 CO -0.01 -0.74 -1.59 0.28 0.00 0.00 0.00 179.25 177.19 3fdg n VAL 237 N -4.43 1.60 -3.84 0.00 0.31 -0.31 -4.84 118.33 106.83 3fdg n VAL 237 Ca 0.20 -0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 3fdg n VAL 237 Cb 0.82 -1.93 -0.16 0.00 -0.91 0.00 0.00 33.84 31.66 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 -2.43 1.07 -0.97 2.52 2.01 -0.26 -4.66 115.64 112.92 3fdg s THR 238 Ca -0.28 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.64 3fdg s THR 238 Cb 0.07 -1.50 -0.11 0.00 0.01 0.00 0.00 72.50 70.96 3fdg s THR 238 CO 0.63 -0.22 2.73 -0.81 -0.69 0.00 0.00 174.62 176.26 3fdg n PRO 239 N 4.83 2.65 -2.63 4.92 -0.04 -1.06 -4.15 135.00 139.53 3fdg n PRO 239 Ca -0.09 -1.60 -0.35 0.00 -0.04 0.00 0.00 63.50 61.42 3fdg n PRO 239 Cb 0.45 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 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 2.55 6.76 0.15 3.54 0.15 -1.26 -1.49 113.70 124.10 3fdg s SER 240 Ca 0.57 1.92 0.15 0.00 0.70 0.00 0.00 55.95 59.28 3fdg s SER 240 Cb 0.18 -2.57 0.69 0.00 -1.71 0.00 0.00 66.02 62.61 3fdg s SER 240 CO -0.04 -0.48 1.46 0.35 1.20 0.00 0.00 173.24 175.73 3fdg n THR 241 N -0.32 1.22 1.03 6.45 -2.24 -0.88 -1.84 114.28 117.70 3fdg n THR 241 Ca 0.06 0.43 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 3fdg n THR 241 Cb 0.51 -1.35 0.31 0.00 -2.10 0.00 0.00 70.33 67.70 3fdg n THR 241 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fdg n ARG 242 N -1.88 0.09 -2.73 -0.78 5.12 -1.26 -4.35 116.66 110.87 3fdg n ARG 242 Ca 0.01 -0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.68 3fdg n ARG 242 Cb 0.11 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 29.94 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 -2.95 5.35 -0.15 0.55 0.02 -0.76 -4.48 114.94 112.51 3fdg s ASN 243 Ca 0.13 -0.13 -0.05 0.00 -1.02 0.00 0.00 52.86 51.80 3fdg s ASN 243 Cb 0.18 -0.79 -0.03 0.00 0.02 0.00 0.00 41.25 40.63 3fdg s ASN 243 CO 0.66 -1.07 0.00 -0.76 0.02 0.00 0.00 177.10 175.96 3fdg s LEU 244 N -4.67 3.51 0.91 0.60 1.43 0.33 -4.64 118.68 116.15 3fdg s LEU 244 Ca 0.57 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 3fdg s LEU 244 Cb -0.10 -1.85 0.14 0.00 0.03 0.00 0.00 46.19 44.41 3fdg s LEU 244 CO 0.37 0.22 1.11 0.42 0.23 0.00 0.00 176.35 178.70 3fdg s THR 245 N 0.09 2.36 0.32 5.49 -4.23 -1.26 -0.76 115.64 117.65 3fdg s THR 245 Ca 0.02 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3fdg s THR 245 Cb -0.13 -2.74 0.15 0.00 1.34 0.00 0.00 72.50 71.12 3fdg s THR 245 CO 0.02 -0.15 1.86 0.44 -0.54 0.00 0.00 174.62 176.24 3fdg h ASP 246 N -1.55 0.54 -0.42 3.99 3.32 -1.98 -0.08 116.42 120.25 3fdg h ASP 246 Ca -0.51 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 3fdg h ASP 246 Cb 1.31 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3fdg h ASP 246 CO 0.59 0.60 0.26 -0.09 -1.72 0.00 0.00 179.24 178.88 3fdg h ARG 247 N 0.55 0.56 -0.77 3.56 2.43 -2.00 0.81 114.38 119.52 3fdg h ARG 247 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3fdg h ARG 247 Cb 0.34 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3fdg h ARG 247 CO 0.01 0.40 0.29 1.96 -1.51 0.00 0.00 179.97 181.12 3fdg h GLN 248 N 0.55 1.17 -0.89 0.20 4.20 -1.80 -2.21 115.11 116.34 3fdg h GLN 248 Ca 0.15 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3fdg h GLN 248 Cb -0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3fdg h GLN 248 CO -0.03 0.96 0.51 -0.07 -0.67 0.00 0.00 178.83 179.54 3fdg h LEU 249 N 1.13 1.09 -0.88 1.46 3.38 -0.70 -1.12 115.31 119.67 3fdg h LEU 249 Ca 0.26 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3fdg h LEU 249 Cb 0.25 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3fdg h LEU 249 CO -0.02 0.85 0.57 0.00 0.09 0.00 0.00 178.44 179.93 3fdg h ALA 250 N 1.28 1.15 -0.58 1.53 0.00 -0.40 0.06 119.26 122.30 3fdg h ALA 250 Ca 0.32 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3fdg h ALA 250 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3fdg h ALA 250 CO -0.06 0.43 -0.02 0.52 0.00 0.00 0.00 179.25 180.12 3fdg h MET 251 N 1.12 1.03 -0.32 0.00 2.86 -0.90 -0.37 114.93 118.35 3fdg h MET 251 Ca 0.35 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fdg h MET 251 Cb -0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3fdg h MET 251 CO -0.11 1.03 0.15 0.82 1.06 0.00 0.00 176.91 179.86 3fdg h ILE 252 N 0.92 1.17 -0.39 -1.22 2.04 -0.82 -2.16 117.51 117.05 3fdg h ILE 252 Ca 0.16 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3fdg h ILE 252 Cb 0.58 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3fdg h ILE 252 CO 0.03 0.18 0.15 -0.09 0.00 0.00 0.00 178.15 178.42 3fdg h ARG 253 N 0.38 0.31 -0.38 2.37 2.43 -0.73 -1.21 114.38 117.55 3fdg h ARG 253 Ca 0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3fdg h ARG 253 Cb 0.14 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3fdg h ARG 253 CO -0.01 0.21 0.14 1.49 -1.51 0.00 0.00 179.97 180.28 3fdg h GLU 254 N 0.32 0.55 0.00 0.20 4.81 -0.90 -1.50 114.58 118.06 3fdg h GLU 254 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3fdg h GLU 254 Cb 0.14 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3fdg h GLU 254 CO -0.17 0.47 0.00 -1.13 -0.73 0.00 0.00 179.01 177.45 3fdg n SER 255 N -4.37 0.00 -3.59 1.04 3.41 -0.83 -4.89 113.62 104.39 3fdg n SER 255 Ca 0.02 -0.92 -0.21 0.00 -0.26 0.00 0.00 58.87 57.51 3fdg n SER 255 Cb 0.15 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.01 -6.10 0.00 4.33 1.74 -0.56 -4.13 116.66 110.93 3fdg n ARG 256 Ca 0.22 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 3fdg n ARG 256 Cb 0.11 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 25.96 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 -1.46 1.58 3.57 -0.13 0.00 -0.51 -4.78 105.19 103.47 3fdg n GLY 257 Ca -0.22 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 2.86 0.93 -0.05 1.61 1.75 -0.91 -4.65 119.30 120.84 3fdg s MET 258 Ca 0.00 0.53 0.02 0.00 -1.25 0.00 0.00 55.69 54.99 3fdg s MET 258 Cb 0.00 0.44 0.02 0.00 2.84 0.00 0.00 34.83 38.13 3fdg s MET 258 CO 0.00 -0.23 -0.08 0.08 -0.65 0.00 0.00 175.02 174.15 3fdg s VAL 259 N -0.56 0.78 -0.20 10.11 1.01 -0.62 -1.82 120.40 129.11 3fdg s VAL 259 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3fdg s VAL 259 Cb -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 3fdg s VAL 259 CO 0.05 0.27 0.12 -0.83 0.00 0.00 0.00 175.10 174.72 3fdg s GLY 260 N 0.71 2.01 -0.01 4.51 0.00 -0.41 -0.87 107.32 113.26 3fdg s GLY 260 Ca -0.12 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 3fdg s GLY 260 CO 0.02 0.17 1.36 -2.27 0.00 0.00 0.00 173.10 172.38 3fdg s LEU 261 N 0.47 4.31 0.02 0.66 2.96 0.57 -1.60 118.68 126.07 3fdg s LEU 261 Ca 0.07 2.06 -0.24 0.00 -0.22 0.00 0.00 54.13 55.80 3fdg s LEU 261 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3fdg s LEU 261 CO -0.01 -0.69 0.74 0.21 -1.32 0.00 0.00 176.35 175.28 3fdg s ASN 262 N 1.80 7.15 0.00 3.68 3.84 -1.22 0.02 114.94 130.21 3fdg s ASN 262 Ca 0.62 1.38 0.26 0.00 0.21 0.00 0.00 52.86 55.33 3fdg s ASN 262 Cb -0.30 -2.45 0.93 0.00 -0.55 0.00 0.00 41.25 38.88 3fdg s ASN 262 CO 0.26 0.01 1.67 0.49 -2.79 0.00 0.00 177.10 176.73 3fdg n PHE 263 N 2.94 0.06 -1.68 0.43 3.72 -0.37 -4.76 117.46 117.80 3fdg n PHE 263 Ca -0.03 -0.03 -0.47 0.00 -0.05 0.00 0.00 57.45 56.87 3fdg n PHE 263 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.28 1.07 -0.10 4.37 0.00 -1.26 -3.91 120.51 120.96 3fdg n ALA 264 Ca 0.18 0.35 0.09 0.00 0.00 0.00 0.00 53.44 54.06 3fdg n ALA 264 Cb 0.36 -2.44 0.44 0.00 0.00 0.00 0.00 19.45 17.82 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 4.71 0.96 0.00 0.00 1.35 -1.46 -0.62 112.91 117.85 3fdg h THR 265 Ca -0.47 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.18 3fdg h THR 265 Cb 1.26 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3fdg h THR 265 CO 0.92 0.10 -0.10 0.28 -0.25 0.00 0.00 175.52 176.47 3fdg h SER 266 N 0.54 0.00 -0.02 5.36 0.02 -1.81 -1.81 113.55 115.83 3fdg h SER 266 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3fdg h SER 266 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3fdg h SER 266 CO -0.08 0.10 -0.10 0.49 -1.14 0.00 0.00 176.83 176.09 3fdg n PHE 267 N -3.89 0.00 -0.09 3.45 3.72 -0.27 -4.48 117.46 115.90 3fdg n PHE 267 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 3fdg n PHE 267 Cb 0.19 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.91 2.26 -4.77 4.37 4.77 -1.01 -4.71 117.00 118.82 3fdg n LEU 268 Ca 0.12 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 3fdg n LEU 268 Cb 0.51 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3fdg n LEU 268 CO 0.16 0.63 0.98 -0.13 -1.33 0.00 0.00 177.39 177.70 3fdg s ARG 269 N -2.36 4.33 0.51 3.23 0.52 -0.72 -4.74 118.95 119.74 3fdg s ARG 269 Ca -0.25 2.22 0.17 0.00 -0.52 0.00 0.00 55.73 57.34 3fdg s ARG 269 Cb 0.08 -3.05 1.26 0.00 0.52 0.00 0.00 34.95 33.76 3fdg s ARG 269 CO 0.38 -0.21 2.13 0.93 0.02 0.00 0.00 175.30 178.55 3fdg h GLU 270 N 3.33 0.00 -0.00 3.54 5.08 -1.91 -1.60 114.58 123.02 3fdg h GLU 270 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3fdg h GLU 270 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fdg h GLU 270 CO 0.65 0.03 -0.30 -0.40 -1.00 0.00 0.00 179.01 177.99 3fdg n ASP 271 N -4.47 0.44 -0.33 1.42 5.68 -1.26 -4.75 116.55 113.28 3fdg n ASP 271 Ca -0.03 -0.20 -0.04 0.00 -0.50 0.00 0.00 54.79 54.02 3fdg n ASP 271 Cb 0.11 0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 3fdg n ASP 271 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fdg n GLY 272 N 1.45 0.70 3.83 6.12 0.00 -0.60 -4.97 105.19 111.71 3fdg n GLY 272 Ca 0.08 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.87 4.08 0.33 1.61 0.52 -1.26 -4.66 118.95 117.70 3fdg s ARG 273 Ca 0.00 0.98 0.26 0.00 -0.52 0.00 0.00 55.73 56.45 3fdg s ARG 273 Cb 0.00 -2.20 1.01 0.00 0.52 0.00 0.00 34.95 34.28 3fdg s ARG 273 CO 0.00 -0.10 1.78 -0.09 0.02 0.00 0.00 175.30 176.91 3fdg h ARG 274 N 1.56 0.00 -6.58 3.54 2.43 -1.92 -3.14 114.38 110.26 3fdg h ARG 274 Ca -0.48 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.14 3fdg h ARG 274 Cb 1.18 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.79 3fdg h ARG 274 CO 0.62 0.00 0.94 0.45 -1.51 0.00 0.00 179.97 180.46 3fdg n SER 275 N -2.47 3.64 0.00 -3.80 2.88 -1.26 -4.65 113.62 107.96 3fdg n SER 275 Ca 0.02 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 3fdg n SER 275 Cb 0.29 -1.51 0.67 0.00 -0.75 0.00 0.00 64.21 62.91 3fdg n SER 275 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fdg n ALA 276 N 3.90 2.32 -2.58 -1.46 0.00 -1.26 -4.53 120.51 116.91 3fdg n ALA 276 Ca 0.17 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3fdg n ALA 276 Cb 0.33 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.31 3.56 0.06 0.00 2.02 -1.26 -1.22 118.70 119.54 3fdg s GLU 277 Ca 0.30 -1.08 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 3fdg s GLU 277 Cb 0.17 -5.24 0.07 0.00 0.10 0.00 0.00 34.13 29.22 3fdg s GLU 277 CO 0.33 -2.19 0.62 0.00 0.02 0.00 0.00 175.26 174.05 3fdg s MET 278 N 4.94 1.16 0.00 1.61 0.23 -1.26 -5.04 119.30 120.93 3fdg s MET 278 Ca 0.44 -0.13 0.00 0.00 -1.03 0.00 0.00 55.69 54.97 3fdg s MET 278 Cb -0.01 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.83 3fdg s MET 278 CO -0.08 -0.44 0.00 0.41 -2.03 0.00 0.00 175.02 172.88 3fdg n GLY 279 N 0.26 1.26 0.15 3.16 0.00 -1.26 -4.50 105.19 104.26 3fdg n GLY 279 Ca -0.18 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 43.99 3fdg n GLY 279 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fdg h TRP 280 N -0.12 0.00 -0.76 1.61 4.06 -2.02 -3.38 115.95 115.35 3fdg h TRP 280 Ca 0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3fdg h TRP 280 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.09 3fdg h TRP 280 CO 0.00 0.00 0.40 0.93 -3.56 0.00 0.00 178.44 176.21 3fdg h GLU 281 N 0.00 0.64 -0.58 0.49 3.07 -1.99 -2.08 114.58 114.13 3fdg h GLU 281 Ca 0.00 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.72 3fdg h GLU 281 Cb 0.73 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3fdg h GLU 281 CO 0.00 0.42 -0.05 -1.35 -1.40 0.00 0.00 179.01 176.63 3fdg h PRO 282 N 0.66 1.05 -0.31 2.33 0.11 -1.87 0.10 132.00 134.07 3fdg h PRO 282 Ca 0.37 -0.36 0.06 0.00 0.11 0.00 0.00 66.00 66.19 3fdg h PRO 282 Cb 0.39 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.36 3fdg h PRO 282 CO -0.27 1.05 -0.07 0.28 -0.21 0.00 0.00 178.00 178.78 3fdg h VAL 283 N 0.95 0.70 -0.06 3.15 2.07 -1.74 -0.99 116.25 120.32 3fdg h VAL 283 Ca 0.16 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.57 3fdg h VAL 283 Cb 0.61 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3fdg h VAL 283 CO 0.04 0.00 -0.47 -0.07 0.02 0.00 0.00 177.57 177.09 3fdg h LEU 284 N 0.00 0.16 -0.07 2.57 3.38 -1.19 0.07 115.31 120.24 3fdg h LEU 284 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fdg h LEU 284 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fdg h LEU 284 CO -0.31 0.61 0.01 -0.09 0.09 0.00 0.00 178.44 178.75 3fdg h ARG 285 N 0.12 0.11 -0.29 1.13 2.43 -0.26 0.12 114.38 117.74 3fdg h ARG 285 Ca 0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fdg h ARG 285 Cb 0.88 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3fdg h ARG 285 CO 0.07 0.33 0.17 0.45 -1.51 0.00 0.00 179.97 179.48 3fdg h HIS 286 N -0.13 0.38 -0.51 2.20 3.86 -1.07 -1.70 115.15 118.19 3fdg h HIS 286 Ca 0.02 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3fdg h HIS 286 Cb 0.27 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3fdg h HIS 286 CO 0.01 0.29 0.33 -0.07 0.86 0.00 0.00 177.93 179.36 3fdg h LEU 287 N 0.36 0.56 -0.40 2.43 3.38 -0.87 -0.96 115.31 119.81 3fdg h LEU 287 Ca 0.10 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3fdg h LEU 287 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3fdg h LEU 287 CO -0.02 0.41 0.16 0.44 0.09 0.00 0.00 178.44 179.52 3fdg h ASP 288 N 0.67 0.20 -0.37 -0.43 3.32 -0.71 0.52 116.42 119.62 3fdg h ASP 288 Ca 0.19 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3fdg h ASP 288 Cb -0.06 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3fdg h ASP 288 CO -0.05 0.15 0.09 -0.74 -1.72 0.00 0.00 179.24 176.97 3fdg h HIS 289 N 0.34 0.63 -0.19 4.55 2.76 -0.60 0.07 115.15 122.72 3fdg h HIS 289 Ca 0.18 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3fdg h HIS 289 Cb 0.14 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3fdg h HIS 289 CO -0.13 0.62 0.09 -0.07 -1.30 0.00 0.00 177.93 177.14 3fdg h LEU 290 N 0.46 0.25 -0.57 0.26 3.38 -1.11 -0.42 115.31 117.56 3fdg h LEU 290 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fdg h LEU 290 Cb 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3fdg h LEU 290 CO 0.00 0.31 0.34 0.40 0.09 0.00 0.00 178.44 179.58 3fdg h ILE 291 N 0.17 1.17 -0.24 1.22 2.04 -0.77 0.22 117.51 121.33 3fdg h ILE 291 Ca 0.06 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3fdg h ILE 291 Cb 0.13 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3fdg h ILE 291 CO -0.01 0.18 0.01 -0.78 0.00 0.00 0.00 178.15 177.55 3fdg h ASP 292 N 0.76 -0.06 0.16 1.72 -0.00 -0.88 -0.83 116.42 117.28 3fdg h ASP 292 Ca 0.20 0.05 -0.35 0.00 -0.00 0.00 0.00 57.03 56.94 3fdg h ASP 292 Cb -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 39.40 3fdg h ASP 292 CO -0.04 -0.00 -1.79 0.03 -0.00 0.00 0.00 179.24 177.44 3fdg h ARG 293 N 0.09 0.33 0.00 0.28 2.47 -0.80 -3.37 114.38 113.39 3fdg h ARG 293 Ca 0.11 -0.57 -0.11 0.00 -1.26 0.00 0.00 59.98 58.15 3fdg h ARG 293 Cb 0.14 0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3fdg h ARG 293 CO -0.18 1.27 -0.53 -0.07 0.56 0.00 0.00 179.97 181.02 3fdg h LEU 294 N 0.03 0.00 0.00 3.04 3.38 -0.65 -3.47 115.31 117.64 3fdg h LEU 294 Ca -0.37 0.00 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 42.78 3fdg h LEU 294 CO 0.13 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.80 3fdg n GLY 295 N 1.06 1.20 0.32 0.83 0.00 -0.32 -4.56 105.19 103.71 3fdg n GLY 295 Ca 0.01 -1.70 0.21 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.33 114.58 117.01 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 -0.10 -0.25 -1.00 0.00 0.00 179.01 177.66 3fdg n ASP 297 N -3.04 1.52 -0.41 1.42 8.00 -1.26 -4.41 116.55 118.37 3fdg n ASP 297 Ca -0.02 -1.36 0.07 0.00 0.71 0.00 0.00 54.79 54.19 3fdg n ASP 297 Cb 0.11 0.06 0.15 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.02 0.00 -4.08 1.24 8.25 -0.87 -4.80 115.22 114.97 3fdg n HIS 298 Ca 0.16 -1.09 -0.15 0.00 -0.26 0.00 0.00 57.72 56.38 3fdg n HIS 298 Cb 0.38 -0.18 -0.15 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.61 0.31 0.00 1.59 1.01 -1.26 -1.58 120.40 117.86 3fdg s VAL 299 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3fdg s VAL 299 Cb 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.40 3fdg s VAL 299 CO -0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3fdg n GLY 300 N 3.12 4.17 3.81 4.51 0.00 -0.05 -4.44 105.19 116.31 3fdg n GLY 300 Ca -0.14 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 0.63 3.99 -0.41 1.61 -1.94 -1.24 -0.32 119.30 121.63 3fdg s MET 301 Ca 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 55.69 54.47 3fdg s MET 301 Cb 0.00 -3.26 0.29 0.00 2.01 0.00 0.00 34.83 33.87 3fdg s MET 301 CO 0.00 0.59 0.63 0.41 -0.01 0.00 0.00 175.02 176.64 3fdg n GLY 302 N 2.10 3.38 0.27 -0.03 0.00 0.10 0.28 105.19 111.28 3fdg n GLY 302 Ca -0.13 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 3.64 0.18 -1.05 1.61 4.64 -1.65 -3.24 113.55 117.68 3fdg h SER 303 Ca 0.09 0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 3fdg h SER 303 Cb 0.88 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 3fdg h SER 303 CO 0.52 0.06 -0.22 -0.67 -0.87 0.00 0.00 176.83 175.66 3fdg n ASP 304 N -5.05 -3.42 -4.63 4.97 2.03 0.12 -1.24 116.55 109.33 3fdg n ASP 304 Ca 0.13 0.06 -0.45 0.00 0.52 0.00 0.00 54.79 55.05 3fdg n ASP 304 Cb 0.40 -2.42 -0.02 0.00 -0.72 0.00 0.00 41.12 38.36 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 -3.64 1.71 -0.98 -0.67 3.72 -1.22 -0.53 117.46 115.85 3fdg n PHE 305 Ca -0.10 0.59 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 3fdg n PHE 305 Cb 0.50 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 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 1.64 -5.54 0.00 4.37 8.00 -1.26 -1.30 116.55 122.46 3fdg n ASP 306 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3fdg n ASP 306 Cb 0.31 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 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 0.58 0.07 3.54 0.44 0.00 0.32 -4.58 105.19 105.56 3fdg n GLY 307 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.30 -1.27 -0.01 4.61 0.00 -1.11 -5.06 121.76 118.61 3fdg s ALA 308 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 3fdg s ALA 308 Cb 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 3fdg s ALA 308 CO 0.00 -0.83 0.74 0.99 0.00 0.00 0.00 175.76 176.66 3fdg s THR 309 N -3.83 4.90 0.37 0.00 2.01 -1.26 -4.95 115.64 112.88 3fdg s THR 309 Ca 0.06 1.56 0.07 0.00 0.31 0.00 0.00 61.69 63.69 3fdg s THR 309 Cb -0.02 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 3fdg s THR 309 CO -0.05 0.30 -0.01 0.27 -0.69 0.00 0.00 174.62 174.43 3fdg s ILE 310 N 0.42 1.90 0.47 1.82 -4.36 -1.26 -1.24 121.20 118.95 3fdg s ILE 310 Ca 0.39 -2.06 -0.24 0.00 -0.26 0.00 0.00 60.65 58.48 3fdg s ILE 310 Cb -0.19 -2.84 -0.07 0.00 1.25 0.00 0.00 42.46 40.61 3fdg s ILE 310 CO 0.21 -0.07 1.38 -2.84 0.24 0.00 0.00 174.94 173.85 3fdg s PRO 311 N -3.72 3.56 0.53 0.37 0.02 -1.25 -4.66 135.00 129.85 3fdg s PRO 311 Ca 0.34 2.30 0.23 0.00 0.02 0.00 0.00 61.00 63.89 3fdg s PRO 311 Cb 0.08 -2.53 1.39 0.00 0.02 0.00 0.00 34.50 33.45 3fdg s PRO 311 CO 0.17 -0.88 2.04 -0.56 -0.33 0.00 0.00 177.00 177.44 3fdg h GLN 312 N 2.09 0.00 0.00 5.54 3.07 -1.39 0.21 115.11 124.62 3fdg h GLN 312 Ca -0.51 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.18 3fdg h GLN 312 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.83 3fdg h GLN 312 CO 0.60 0.00 -0.24 0.78 0.09 0.00 0.00 178.83 180.06 3fdg h GLY 313 N 0.00 0.00 0.00 0.06 0.00 -1.83 -3.25 103.07 98.05 3fdg h GLY 313 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 3fdg h GLY 313 CO -0.00 0.00 -1.19 1.39 0.00 0.00 0.00 176.54 176.74 3fdg n ILE 314 N -3.76 1.49 0.00 2.60 5.41 -0.12 -4.76 119.36 120.22 3fdg n ILE 314 Ca -0.01 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3fdg n ILE 314 Cb 0.34 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 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 -3.98 0.00 -3.02 -1.39 0.00 -0.18 -3.23 120.51 108.70 3fdg n ALA 315 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3fdg n ALA 315 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 2.22 -0.04 0.25 0.00 5.68 -1.26 -4.84 116.55 118.56 3fdg n ASP 316 Ca 0.00 -1.02 0.12 0.00 -0.50 0.00 0.00 54.79 53.39 3fdg n ASP 316 Cb 0.00 0.07 0.64 0.00 -1.14 0.00 0.00 41.12 40.69 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 1.02 0.52 0.00 2.12 3.04 -1.48 0.44 116.25 121.91 3fdg h VAL 317 Ca -0.01 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3fdg h VAL 317 Cb 0.03 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3fdg h VAL 317 CO 0.01 0.15 0.00 0.35 -1.01 0.00 0.00 177.57 177.07 3fdg n THR 318 N -3.50 0.68 1.85 3.17 -2.24 -1.26 -2.18 114.28 110.79 3fdg n THR 318 Ca -0.01 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.09 3fdg n THR 318 Cb 0.31 -0.88 0.83 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.22 -0.77 0.30 3.38 0.00 0.14 -4.16 105.19 104.30 3fdg n GLY 319 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.57 0.59 -0.73 0.99 3.38 -1.61 -2.22 115.31 116.28 3fdg h LEU 320 Ca 0.00 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3fdg h LEU 320 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3fdg h LEU 320 CO 0.00 0.56 -0.26 -0.65 0.09 0.00 0.00 178.44 178.18 3fdg h PRO 321 N 0.63 0.69 -0.31 1.13 0.11 -1.74 -1.60 132.00 130.91 3fdg h PRO 321 Ca 0.15 -0.29 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 3fdg h PRO 321 Cb 0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3fdg h PRO 321 CO -0.01 0.88 -0.08 0.00 -0.21 0.00 0.00 178.00 178.58 3fdg h ALA 322 N 1.12 1.29 -0.42 -0.75 0.00 -1.76 -0.04 119.26 118.70 3fdg h ALA 322 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3fdg h ALA 322 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3fdg h ALA 322 CO 0.06 0.48 0.16 1.25 0.00 0.00 0.00 179.25 181.20 3fdg h LEU 323 N 0.48 0.58 -0.95 0.00 5.85 -1.17 -1.67 115.31 118.44 3fdg h LEU 323 Ca 0.09 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3fdg h LEU 323 Cb 0.43 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3fdg h LEU 323 CO 0.02 0.60 0.20 1.56 -0.34 0.00 0.00 178.44 180.48 3fdg h GLN 324 N 0.53 0.97 -0.58 1.25 4.20 -0.69 -0.47 115.11 120.32 3fdg h GLN 324 Ca 0.14 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3fdg h GLN 324 Cb 0.20 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3fdg h GLN 324 CO -0.01 0.83 0.16 0.00 -0.67 0.00 0.00 178.83 179.14 3fdg h ALA 325 N 1.28 1.19 -0.51 3.87 0.00 -0.82 0.13 119.26 124.42 3fdg h ALA 325 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3fdg h ALA 325 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fdg h ALA 325 CO -0.01 0.56 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 3fdg h ALA 326 N 1.32 0.70 -0.29 0.00 0.00 -0.58 -0.84 119.26 119.57 3fdg h ALA 326 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3fdg h ALA 326 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fdg h ALA 326 CO -0.01 0.60 0.10 0.52 0.00 0.00 0.00 179.25 180.47 3fdg h MET 327 N 0.83 0.45 -0.34 0.00 2.07 -0.59 -1.33 114.93 116.02 3fdg h MET 327 Ca 0.13 -0.09 0.07 0.00 -2.07 0.00 0.00 59.70 57.74 3fdg h MET 327 Cb 0.66 -0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 30.27 3fdg h MET 327 CO 0.05 0.49 -0.06 0.00 1.07 0.00 0.00 176.91 178.46 3fdg h ARG 328 N 0.31 0.03 -0.29 1.72 3.08 -0.69 -2.40 114.38 116.14 3fdg h ARG 328 Ca 0.09 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3fdg h ARG 328 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3fdg h ARG 328 CO -0.00 0.02 0.04 0.00 -1.07 0.00 0.00 179.97 178.96 3fdg h ALA 329 N 1.32 1.54 0.00 0.04 0.00 -0.99 0.87 119.26 122.05 3fdg h ALA 329 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fdg h ALA 329 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fdg h ALA 329 CO -0.32 0.34 0.00 1.25 0.00 0.00 0.00 179.25 180.51 3fdg h HIS 330 N 0.41 0.00 0.00 0.00 -0.00 -0.74 -3.46 115.15 111.36 3fdg h HIS 330 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3fdg h HIS 330 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 3fdg h HIS 330 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.35 3fdg n GLY 331 N -0.46 1.09 3.68 5.26 0.00 0.30 -5.07 105.19 110.00 3fdg n GLY 331 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.45 0.89 1.61 2.02 -1.11 -4.99 117.35 116.22 3fdg s TYR 332 Ca 0.00 0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 57.06 3fdg s TYR 332 Cb 0.00 -3.83 0.13 0.00 -0.40 0.00 0.00 41.96 37.85 3fdg s TYR 332 CO 0.00 -3.32 1.09 0.16 -1.57 0.00 0.00 175.55 171.92 3fdg s ASP 333 N 2.49 3.54 0.20 2.29 -4.77 -1.26 -4.55 116.67 114.60 3fdg s ASP 333 Ca 0.70 1.43 -0.11 0.00 -3.30 0.00 0.00 52.55 51.27 3fdg s ASP 333 Cb -0.34 -2.12 0.13 0.00 -1.09 0.00 0.00 42.92 39.49 3fdg s ASP 333 CO 0.29 -2.59 1.82 -0.33 0.70 0.00 0.00 175.17 175.06 3fdg h GLU 334 N -1.51 0.96 -0.89 2.11 5.08 -1.99 0.47 114.58 118.80 3fdg h GLU 334 Ca -0.49 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3fdg h GLU 334 Cb 1.29 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3fdg h GLU 334 CO 0.55 0.71 0.56 -1.35 -1.00 0.00 0.00 179.01 178.48 3fdg h PRO 335 N 0.95 1.20 -0.41 2.33 0.11 -2.00 -0.41 132.00 133.78 3fdg h PRO 335 Ca 0.25 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3fdg h PRO 335 Cb 0.01 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 3fdg h PRO 335 CO -0.04 0.82 -0.23 1.25 -0.21 0.00 0.00 178.00 179.59 3fdg h LEU 336 N 1.22 0.92 -0.35 2.35 5.85 -1.79 -2.00 115.31 121.51 3fdg h LEU 336 Ca 0.32 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3fdg h LEU 336 Cb -0.09 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 3fdg h LEU 336 CO -0.06 1.13 -0.06 0.24 -0.34 0.00 0.00 178.44 179.35 3fdg h MET 337 N 0.70 0.03 -0.97 1.25 2.86 -0.38 0.45 114.93 118.87 3fdg h MET 337 Ca 0.09 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3fdg h MET 337 Cb 0.80 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 3fdg h MET 337 CO 0.07 0.02 0.64 0.00 1.06 0.00 0.00 176.91 178.70 3fdg h ARG 338 N 0.03 1.25 -0.64 1.72 3.08 -0.96 0.39 114.38 119.25 3fdg h ARG 338 Ca 0.17 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3fdg h ARG 338 Cb 0.25 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3fdg h ARG 338 CO -0.33 0.83 0.15 0.87 -1.07 0.00 0.00 179.97 180.41 3fdg h LYS 339 N 1.29 1.03 -0.09 0.04 1.57 -0.83 -1.67 116.57 117.91 3fdg h LYS 339 Ca 0.37 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3fdg h LYS 339 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3fdg h LYS 339 CO -0.09 0.93 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.94 3fdg h LEU 340 N 0.95 0.49 -0.02 2.94 3.38 -0.52 -0.89 115.31 121.64 3fdg h LEU 340 Ca 0.20 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 3fdg h LEU 340 Cb 0.37 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.99 3fdg h LEU 340 CO 0.00 1.04 -1.06 0.00 0.09 0.00 0.00 178.44 178.51 3fdg n HIS 342 N -3.80 0.00 0.01 0.00 1.44 -0.71 -0.31 115.22 111.85 3fdg n HIS 342 Ca -0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.55 3fdg n HIS 342 Cb 0.89 0.00 0.14 0.00 0.12 0.00 0.00 29.99 31.15 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 0.50 -0.21 -1.40 5.08 -1.25 -2.42 114.58 114.88 3fdg h GLU 343 Ca 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3fdg h GLU 343 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3fdg h GLU 343 CO 0.00 0.79 0.05 -0.91 -1.00 0.00 0.00 179.01 177.95 3fdg h ASN 344 N 0.42 0.31 -0.64 1.42 2.35 -1.39 -1.58 115.58 116.47 3fdg h ASN 344 Ca 0.04 -0.23 0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3fdg h ASN 344 Cb 0.84 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.06 3fdg h ASN 344 CO 0.07 0.46 0.28 -0.50 -1.65 0.00 0.00 177.43 176.09 3fdg h TRP 345 N 0.15 0.50 -0.55 1.19 -0.00 -1.76 -0.22 115.95 115.26 3fdg h TRP 345 Ca 0.06 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.93 3fdg h TRP 345 Cb 0.27 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 3fdg h TRP 345 CO 0.01 0.17 0.15 1.88 -0.00 0.00 0.00 178.44 180.65 3fdg h TYR 346 N 0.50 0.91 -0.43 0.49 0.05 -0.98 0.51 116.97 118.03 3fdg h TYR 346 Ca 0.31 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 3fdg h TYR 346 Cb 0.34 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3fdg h TYR 346 CO -0.13 0.78 0.19 0.78 -1.05 0.00 0.00 178.16 178.73 3fdg h GLY 347 N 0.78 0.67 0.31 3.88 0.00 -1.13 -2.00 103.07 105.57 3fdg h GLY 347 Ca 0.18 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.24 3fdg h GLY 347 CO -0.00 0.33 0.00 -2.00 0.00 0.00 0.00 176.54 174.87 3fdg h LEU 348 N 0.55 -0.18 -0.88 3.11 5.85 -0.68 -1.23 115.31 121.85 3fdg h LEU 348 Ca 0.15 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3fdg h LEU 348 Cb 0.15 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3fdg h LEU 348 CO -0.02 -0.05 0.51 -0.07 -0.34 0.00 0.00 178.44 178.47 3fdg h LEU 349 N 0.11 0.72 -0.88 2.25 3.38 -0.68 -0.93 115.31 119.27 3fdg h LEU 349 Ca 0.21 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3fdg h LEU 349 Cb 0.30 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3fdg h LEU 349 CO -0.35 0.39 0.36 -0.33 0.09 0.00 0.00 178.44 178.60 3fdg h GLU 350 N 0.82 1.18 0.00 1.13 5.08 -0.95 0.82 114.58 122.66 3fdg h GLU 350 Ca 0.44 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3fdg h GLU 350 Cb 0.45 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fdg h GLU 350 CO -0.27 0.92 -0.01 0.00 -1.00 0.00 0.00 179.01 178.65 3fdg h ARG 351 N 1.16 0.00 0.04 2.33 3.08 -0.31 -1.01 114.38 119.67 3fdg h ARG 351 Ca 0.28 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.95 3fdg h ARG 351 Cb 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3fdg h ARG 351 CO -0.03 0.01 -2.24 0.43 -1.07 0.00 0.00 179.97 177.07 3fdg n SER 352 N -3.10 2.02 -0.01 7.04 7.64 -0.44 -4.62 113.62 122.15 3fdg n SER 352 Ca 0.02 0.07 0.08 0.00 1.01 0.00 0.00 58.87 60.05 3fdg n SER 352 Cb 0.40 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 3fdg n SER 352 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3fdg n TRP 353 N -3.54 0.00 0.00 1.43 8.01 0.26 -4.78 117.44 118.82 3fdg n TRP 353 Ca -0.41 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.78 3fdg n TRP 353 Cb 0.97 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 30.01 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 1.50 2.10 0.00 6.99 0.00 -0.38 -5.01 105.19 110.39 3fdg n GLY 354 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3fdg n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32