#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fsf n ASN 14 N 0.00 -1.02 0.00 6.15 5.03 -1.26 -1.52 115.26 122.64 2fsf n ASN 14 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2fsf n ASN 14 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2fsf n ASN 14 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2fsf n ASP 15 N -1.02 0.00 -0.02 6.41 -0.08 -1.26 -1.53 116.55 119.05 2fsf n ASP 15 Ca 0.00 0.12 -0.16 0.00 -1.51 0.00 0.00 54.79 53.24 2fsf n ASP 15 Cb 0.00 -0.12 -0.09 0.00 2.34 0.00 0.00 41.12 43.25 2fsf n ASP 15 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2fsf h ARG 16 N 0.00 0.49 0.00 -0.67 9.65 -1.91 0.50 114.38 122.43 2fsf h ARG 16 Ca 0.00 -0.42 -0.06 0.00 -1.10 0.00 0.00 59.98 58.40 2fsf h ARG 16 Cb 0.02 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2fsf h ARG 16 CO 0.00 1.06 -0.77 1.79 2.80 0.00 0.00 179.97 184.85 2fsf h THR 17 N 0.07 0.28 -0.09 0.20 1.35 -1.09 -3.23 112.91 110.39 2fsf h THR 17 Ca -0.04 -1.46 -0.10 0.00 -0.55 0.00 0.00 66.41 64.25 2fsf h THR 17 Cb 1.17 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 2fsf h THR 17 CO 0.11 0.16 -0.40 -0.07 -0.25 0.00 0.00 175.52 175.06 2fsf h LEU 18 N 0.00 0.21 0.00 3.87 3.38 -1.32 -1.82 115.31 119.63 2fsf h LEU 18 Ca -0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2fsf h LEU 18 Cb 1.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2fsf h LEU 18 CO 0.02 0.60 -0.76 0.08 0.09 0.00 0.00 178.44 178.47 2fsf h ARG 19 N 0.17 0.00 -0.57 1.13 0.11 -1.01 -1.72 114.38 112.49 2fsf h ARG 19 Ca 0.02 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 2fsf h ARG 19 Cb 0.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 2fsf h ARG 19 CO 0.06 0.46 -0.02 -0.09 0.10 0.00 0.00 179.97 180.49 2fsf h ARG 20 N 0.00 1.01 -0.46 0.08 2.43 -1.56 -2.88 114.38 113.00 2fsf h ARG 20 Ca -0.04 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 58.71 2fsf h ARG 20 Cb 1.45 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 2fsf h ARG 20 CO 0.06 1.01 -0.04 0.52 -1.51 0.00 0.00 179.97 180.01 2fsf h MET 21 N 0.90 0.79 -0.52 0.20 2.86 -1.17 -3.13 114.93 114.86 2fsf h MET 21 Ca 0.16 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2fsf h MET 21 Cb 0.57 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2fsf h MET 21 CO 0.03 0.83 0.30 0.00 1.06 0.00 0.00 176.91 179.13 2fsf h ARG 22 N 0.73 0.71 -0.79 1.72 3.08 -1.23 -0.90 114.38 117.69 2fsf h ARG 22 Ca 0.13 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2fsf h ARG 22 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2fsf h ARG 22 CO 0.03 0.51 0.51 0.87 -1.07 0.00 0.00 179.97 180.82 2fsf h LYS 23 N 0.72 1.00 -0.49 0.04 1.57 -1.45 -2.43 116.57 115.53 2fsf h LYS 23 Ca 0.19 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2fsf h LYS 23 Cb -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2fsf h LYS 23 CO -0.03 0.66 -0.16 0.28 -0.57 0.00 0.00 179.45 179.63 2fsf h VAL 24 N 1.03 1.27 -0.97 0.50 2.07 -1.20 -2.91 116.25 116.04 2fsf h VAL 24 Ca 0.30 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2fsf h VAL 24 Cb -0.07 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2fsf h VAL 24 CO -0.08 0.45 0.63 0.58 0.02 0.00 0.00 177.57 179.16 2fsf h VAL 25 N 0.83 1.11 -0.03 2.57 2.07 -1.18 -0.66 116.25 120.97 2fsf h VAL 25 Ca 0.12 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2fsf h VAL 25 Cb 0.71 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2fsf h VAL 25 CO 0.05 0.21 -0.24 0.78 0.02 0.00 0.00 177.57 178.39 2fsf h ASN 26 N 1.17 0.05 -0.40 0.57 2.35 -1.29 0.27 115.58 118.29 2fsf h ASN 26 Ca 0.41 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 2fsf h ASN 26 Cb 0.10 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2fsf h ASN 26 CO -0.15 0.30 -0.32 0.40 -1.65 0.00 0.00 177.43 176.00 2fsf h ILE 27 N 0.05 1.27 -0.27 2.81 2.04 -1.14 -1.06 117.51 121.21 2fsf h ILE 27 Ca 0.01 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 2fsf h ILE 27 Cb 0.46 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2fsf h ILE 27 CO 0.03 0.50 0.08 0.40 0.00 0.00 0.00 178.15 179.17 2fsf h ILE 28 N 0.74 1.20 -0.23 -0.67 2.04 -0.69 -2.38 117.51 117.53 2fsf h ILE 28 Ca 0.07 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2fsf h ILE 28 Cb 0.91 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2fsf h ILE 28 CO 0.08 0.21 0.14 0.78 0.00 0.00 0.00 178.15 179.37 2fsf h ASN 29 N 0.27 0.26 0.00 1.72 2.35 -0.95 -1.73 115.58 117.50 2fsf h ASN 29 Ca 0.09 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2fsf h ASN 29 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2fsf h ASN 29 CO -0.00 0.21 0.10 0.00 -1.65 0.00 0.00 177.43 176.08 2fsf h ALA 30 N 1.07 1.09 0.00 -0.83 0.00 -0.98 -1.95 119.26 117.66 2fsf h ALA 30 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2fsf h ALA 30 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2fsf h ALA 30 CO -0.02 -0.09 -0.74 -1.33 0.00 0.00 0.00 179.25 177.07 2fsf n MET 31 N -2.89 0.14 -0.14 0.00 2.81 -0.66 -4.49 117.12 111.89 2fsf n MET 31 Ca -0.02 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.84 2fsf n MET 31 Cb 0.15 -1.56 0.04 0.00 -0.71 0.00 0.00 33.22 31.14 2fsf n MET 31 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2fsf h GLU 32 N 0.00 0.04 -0.20 0.03 4.81 -1.27 -2.50 114.58 115.48 2fsf h GLU 32 Ca 0.00 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2fsf h GLU 32 Cb 0.61 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 2fsf h GLU 32 CO 0.00 0.02 -0.36 -1.35 -0.73 0.00 0.00 179.01 176.59 2fsf h PRO 33 N 0.04 -0.38 -0.83 0.92 0.11 -1.81 0.77 132.00 130.82 2fsf h PRO 33 Ca 0.23 0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.54 2fsf h PRO 33 Cb 0.34 0.09 -0.16 0.00 0.11 0.00 0.00 31.00 31.39 2fsf h PRO 33 CO -0.44 -0.25 -0.14 1.49 -0.21 0.00 0.00 178.00 178.44 2fsf h GLU 34 N -0.40 0.02 -0.07 1.05 4.81 -1.78 -2.53 114.58 115.68 2fsf h GLU 34 Ca 0.11 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2fsf h GLU 34 Cb 0.57 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2fsf h GLU 34 CO -0.41 0.01 -0.55 0.52 -0.73 0.00 0.00 179.01 177.85 2fsf h MET 35 N 0.02 0.21 -0.01 1.92 2.86 -0.78 -2.88 114.93 116.27 2fsf h MET 35 Ca 0.42 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2fsf h MET 35 Cb 0.70 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2fsf h MET 35 CO -0.82 0.70 -0.23 0.93 1.06 0.00 0.00 176.91 178.55 2fsf h GLU 36 N 0.16 0.02 0.00 1.72 5.08 -0.47 -2.86 114.58 118.23 2fsf h GLU 36 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2fsf h GLU 36 Cb 1.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2fsf h GLU 36 CO 0.08 0.25 -0.21 0.87 -1.00 0.00 0.00 179.01 179.01 2fsf h LYS 37 N 0.02 0.00 -6.93 2.33 1.57 -1.37 -3.46 116.57 108.73 2fsf h LYS 37 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.28 2fsf h LYS 37 Cb 0.42 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.77 2fsf h LYS 37 CO 0.03 0.21 0.50 -0.51 -0.57 0.00 0.00 179.45 179.11 2fsf s LEU 38 N -6.42 4.24 0.66 2.94 1.02 -1.08 -5.02 118.68 115.02 2fsf s LEU 38 Ca 0.04 2.33 -0.15 0.00 0.02 0.00 0.00 54.13 56.37 2fsf s LEU 38 Cb 0.07 -3.97 0.00 0.00 0.02 0.00 0.00 46.19 42.31 2fsf s LEU 38 CO 0.67 -0.59 1.11 -0.94 0.02 0.00 0.00 176.35 176.62 2fsf s SER 39 N -1.11 5.07 0.24 2.29 1.04 -1.26 -4.84 113.70 115.13 2fsf s SER 39 Ca 0.55 2.00 -0.15 0.00 0.48 0.00 0.00 55.95 58.83 2fsf s SER 39 Cb -0.30 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.55 2fsf s SER 39 CO 0.38 -1.65 1.53 0.47 0.98 0.00 0.00 173.24 174.95 2fsf n ASP 40 N -2.46 -0.57 0.07 7.02 9.92 -1.26 -0.91 116.55 128.35 2fsf n ASP 40 Ca 0.10 1.71 0.00 0.00 -0.53 0.00 0.00 54.79 56.08 2fsf n ASP 40 Cb 0.52 -0.42 0.32 0.00 -0.64 0.00 0.00 41.12 40.90 2fsf n ASP 40 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2fsf h GLU 41 N 0.00 0.35 -0.16 -1.24 4.22 -1.93 -2.10 114.58 113.72 2fsf h GLU 41 Ca 0.37 -0.09 -0.11 0.00 0.08 0.00 0.00 59.36 59.61 2fsf h GLU 41 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2fsf h GLU 41 CO -0.99 0.50 -0.36 0.93 -2.18 0.00 0.00 179.01 176.91 2fsf h GLU 42 N 0.33 0.35 0.08 1.92 5.08 -1.50 -2.26 114.58 118.58 2fsf h GLU 42 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2fsf h GLU 42 Cb 0.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2fsf h GLU 42 CO 0.03 0.67 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.59 2fsf h LEU 43 N 0.30 -0.10 -0.70 1.33 3.38 -0.40 -2.80 115.31 116.31 2fsf h LEU 43 Ca 0.03 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.88 2fsf h LEU 43 Cb 0.78 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2fsf h LEU 43 CO 0.06 0.22 -0.07 0.50 0.09 0.00 0.00 178.44 179.25 2fsf h LYS 44 N -0.42 0.06 0.00 1.13 3.64 -1.36 -1.44 116.57 118.17 2fsf h LYS 44 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2fsf h LYS 44 Cb 0.36 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2fsf h LYS 44 CO 0.02 0.04 0.00 0.78 -2.27 0.00 0.00 179.45 178.02 2fsf h GLY 45 N 0.06 0.00 0.85 5.01 0.00 -1.16 -2.62 103.07 105.21 2fsf h GLY 45 Ca 0.36 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.82 2fsf h GLY 45 CO -0.66 0.00 0.46 0.50 0.00 0.00 0.00 176.54 176.84 2fsf h LYS 46 N 0.00 0.40 -0.59 4.80 1.79 -1.01 -1.53 116.57 120.43 2fsf h LYS 46 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2fsf h LYS 46 Cb 0.20 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2fsf h LYS 46 CO 0.00 0.27 0.29 1.15 -1.08 0.00 0.00 179.45 180.07 2fsf h THR 47 N 0.41 1.21 -0.42 -0.16 2.02 -1.63 0.19 112.91 114.54 2fsf h THR 47 Ca 0.33 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2fsf h THR 47 Cb 0.70 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2fsf h THR 47 CO -0.10 0.24 -0.09 0.00 0.37 0.00 0.00 175.52 175.94 2fsf h ALA 48 N 1.12 0.58 -0.21 6.16 0.00 -1.58 -1.59 119.26 123.73 2fsf h ALA 48 Ca 0.20 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2fsf h ALA 48 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2fsf h ALA 48 CO -0.03 0.45 -0.03 1.49 0.00 0.00 0.00 179.25 181.13 2fsf h GLU 49 N 0.63 0.03 -0.43 0.00 4.81 -0.96 0.15 114.58 118.80 2fsf h GLU 49 Ca 0.11 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2fsf h GLU 49 Cb 0.62 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2fsf h GLU 49 CO 0.04 0.02 0.12 0.74 -0.73 0.00 0.00 179.01 179.20 2fsf h PHE 50 N 0.03 0.21 -0.84 0.92 0.04 -0.57 -1.80 116.94 114.92 2fsf h PHE 50 Ca 0.10 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2fsf h PHE 50 Cb 0.14 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2fsf h PHE 50 CO -0.21 0.05 0.54 0.00 -0.60 0.00 0.00 178.31 178.09 2fsf h ARG 51 N 0.27 1.12 -0.75 1.51 3.08 -1.08 -0.96 114.38 117.57 2fsf h ARG 51 Ca 0.21 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.21 2fsf h ARG 51 Cb 0.23 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 2fsf h ARG 51 CO -0.24 0.76 0.47 0.00 -1.07 0.00 0.00 179.97 179.88 2fsf h ALA 52 N 1.29 0.99 -0.55 0.04 0.00 -0.49 -0.57 119.26 119.98 2fsf h ALA 52 Ca 0.30 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2fsf h ALA 52 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2fsf h ALA 52 CO -0.06 0.23 0.05 0.00 0.00 0.00 0.00 179.25 179.47 2fsf h ARG 53 N 0.89 0.93 0.02 0.00 3.08 -1.01 -1.94 114.38 116.34 2fsf h ARG 53 Ca 0.31 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2fsf h ARG 53 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2fsf h ARG 53 CO -0.13 0.92 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.59 2fsf h LEU 54 N 0.82 -0.09 -0.89 3.04 3.38 -1.10 -1.08 115.31 119.40 2fsf h LEU 54 Ca 0.16 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.36 2fsf h LEU 54 Cb 0.46 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.09 2fsf h LEU 54 CO 0.02 -0.05 -0.02 -0.08 0.09 0.00 0.00 178.44 178.40 2fsf h GLU 55 N -0.07 0.05 0.00 1.13 4.22 -0.95 0.28 114.58 119.24 2fsf h GLU 55 Ca 0.01 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2fsf h GLU 55 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2fsf h GLU 55 CO -0.02 0.03 0.00 1.63 -2.18 0.00 0.00 179.01 178.47 2fsf n LYS 56 N -5.44 0.70 0.00 1.92 5.02 -0.74 -4.87 118.16 114.74 2fsf n LYS 56 Ca 0.18 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2fsf n LYS 56 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2fsf n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsf n GLY 57 N 0.63 1.16 3.75 0.72 0.00 0.99 -5.08 105.19 107.37 2fsf n GLY 57 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2fsf n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fsf s GLU 58 N -0.63 3.23 -0.00 1.61 2.56 -0.46 -4.99 118.70 120.01 2fsf s GLU 58 Ca 0.00 2.12 -0.25 0.00 0.00 0.00 0.00 54.97 56.84 2fsf s GLU 58 Cb 0.00 -2.25 -0.04 0.00 2.00 0.00 0.00 34.13 33.83 2fsf s GLU 58 CO 0.00 -1.09 0.77 0.08 -0.56 0.00 0.00 175.26 174.47 2fsf s VAL 59 N -1.37 4.86 0.21 3.70 1.01 -1.26 -4.63 120.40 122.92 2fsf s VAL 59 Ca 0.71 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 64.22 2fsf s VAL 59 Cb -0.38 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.03 2fsf s VAL 59 CO 0.44 0.30 1.76 0.25 0.00 0.00 0.00 175.10 177.85 2fsf h LEU 60 N 6.21 0.30 -2.20 3.92 5.85 -1.99 0.09 115.31 127.48 2fsf h LEU 60 Ca -0.42 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.42 2fsf h LEU 60 Cb 1.20 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2fsf h LEU 60 CO 0.73 0.18 0.18 -0.33 -0.34 0.00 0.00 178.44 178.86 2fsf h GLU 61 N 0.47 0.00 0.00 1.25 3.07 -2.00 0.29 114.58 117.66 2fsf h GLU 61 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2fsf h GLU 61 Cb 0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2fsf h GLU 61 CO -0.28 0.00 -0.03 -0.91 -1.40 0.00 0.00 179.01 176.39 2fsf h ASN 62 N 0.00 0.00 0.71 1.42 2.35 -1.38 -2.92 115.58 115.77 2fsf h ASN 62 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2fsf h ASN 62 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2fsf h ASN 62 CO -0.00 0.03 -0.35 0.18 -1.65 0.00 0.00 177.43 175.64 2fsf n LEU 63 N -3.16 0.38 -0.07 1.61 4.77 0.10 -4.41 117.00 116.22 2fsf n LEU 63 Ca -0.01 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 2fsf n LEU 63 Cb 0.25 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2fsf n LEU 63 CO 0.26 0.06 0.70 0.40 -1.33 0.00 0.00 177.39 177.48 2fsf h ILE 64 N 0.00 0.38 0.09 -0.08 2.04 -1.55 0.61 117.51 119.00 2fsf h ILE 64 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2fsf h ILE 64 Cb 0.53 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2fsf h ILE 64 CO 0.00 0.00 -0.24 -0.65 0.00 0.00 0.00 178.15 177.26 2fsf h PRO 65 N -0.23 -0.41 -0.39 2.37 0.11 -1.82 0.86 132.00 132.49 2fsf h PRO 65 Ca 0.15 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 2fsf h PRO 65 Cb 0.46 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2fsf h PRO 65 CO -0.42 -0.27 -0.01 0.93 -0.21 0.00 0.00 178.00 178.03 2fsf h GLU 66 N -0.42 0.69 -0.81 1.05 5.08 -1.74 -1.99 114.58 116.43 2fsf h GLU 66 Ca 0.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2fsf h GLU 66 Cb 0.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2fsf h GLU 66 CO -0.16 0.79 0.39 0.00 -1.00 0.00 0.00 179.01 179.03 2fsf h ALA 67 N 0.88 1.05 -0.29 3.43 0.00 0.43 -1.36 119.26 123.40 2fsf h ALA 67 Ca 0.11 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2fsf h ALA 67 Cb 0.48 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2fsf h ALA 67 CO 0.02 0.62 -0.49 0.74 0.00 0.00 0.00 179.25 180.14 2fsf h PHE 68 N 1.16 0.99 -0.94 0.00 -1.00 -0.80 -0.77 116.94 115.58 2fsf h PHE 68 Ca 0.28 -0.33 0.01 0.00 2.81 0.00 0.00 57.97 60.74 2fsf h PHE 68 Cb 0.13 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 2fsf h PHE 68 CO 0.01 1.13 0.62 0.00 -1.61 0.00 0.00 178.31 178.46 2fsf h ALA 69 N 0.81 1.19 0.16 2.45 0.00 -1.14 0.25 119.26 122.98 2fsf h ALA 69 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2fsf h ALA 69 Cb 1.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2fsf h ALA 69 CO 0.11 0.59 -0.08 0.28 0.00 0.00 0.00 179.25 180.15 2fsf h VAL 70 N 1.27 0.89 -0.38 0.00 2.07 -1.07 -1.36 116.25 117.67 2fsf h VAL 70 Ca 0.34 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2fsf h VAL 70 Cb -0.15 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2fsf h VAL 70 CO -0.07 0.05 0.20 0.58 0.02 0.00 0.00 177.57 178.35 2fsf h VAL 71 N -0.30 1.15 -0.74 2.57 2.07 -0.84 0.11 116.25 120.27 2fsf h VAL 71 Ca -0.02 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2fsf h VAL 71 Cb 0.24 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2fsf h VAL 71 CO 0.04 0.16 0.46 -0.09 0.02 0.00 0.00 177.57 178.16 2fsf h ARG 72 N 0.49 0.87 -0.41 1.57 2.43 -0.92 -0.30 114.38 118.12 2fsf h ARG 72 Ca 0.13 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2fsf h ARG 72 Cb 0.07 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2fsf h ARG 72 CO -0.02 0.58 -0.02 1.49 -1.51 0.00 0.00 179.97 180.48 2fsf h GLU 73 N 0.90 0.73 -1.01 0.20 4.57 -0.84 -0.40 114.58 118.74 2fsf h GLU 73 Ca 0.30 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2fsf h GLU 73 Cb 0.03 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 2fsf h GLU 73 CO -0.12 0.83 0.66 0.00 -1.18 0.00 0.00 179.01 179.20 2fsf h ALA 74 N 0.88 1.33 -0.35 2.92 0.00 -0.54 -1.99 119.26 121.51 2fsf h ALA 74 Ca 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2fsf h ALA 74 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2fsf h ALA 74 CO 0.03 0.57 -0.42 1.03 0.00 0.00 0.00 179.25 180.45 2fsf h SER 75 N 1.28 0.95 -0.52 0.00 0.87 -0.99 0.32 113.55 115.46 2fsf h SER 75 Ca 0.40 -0.45 0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2fsf h SER 75 Cb -0.01 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 61.60 2fsf h SER 75 CO -0.12 1.24 0.00 0.11 -0.53 0.00 0.00 176.83 177.53 2fsf h LYS 76 N 0.71 0.12 0.01 2.24 1.57 -0.64 -0.20 116.57 120.39 2fsf h LYS 76 Ca 0.05 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2fsf h LYS 76 Cb 1.01 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.30 2fsf h LYS 76 CO 0.10 0.08 -0.26 0.00 -0.57 0.00 0.00 179.45 178.80 2fsf h ARG 77 N 0.12 0.16 0.08 3.15 3.08 -1.13 -2.01 114.38 117.84 2fsf h ARG 77 Ca 0.27 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2fsf h ARG 77 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2fsf h ARG 77 CO -0.44 0.95 -0.04 0.28 -1.07 0.00 0.00 179.97 179.65 2fsf h VAL 78 N -0.55 1.04 0.00 2.04 2.07 -0.36 -3.38 116.25 117.10 2fsf h VAL 78 Ca -0.04 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2fsf h VAL 78 Cb 1.05 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2fsf h VAL 78 CO 0.05 0.30 -1.12 0.49 0.02 0.00 0.00 177.57 177.32 2fsf n PHE 79 N -4.82 0.42 -1.51 1.57 3.72 -0.16 -4.96 117.46 111.71 2fsf n PHE 79 Ca -0.07 0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2fsf n PHE 79 Cb 0.29 -0.58 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 2fsf n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fsf n GLY 80 N 1.31 0.57 2.83 1.37 0.00 -0.72 -5.00 105.19 105.55 2fsf n GLY 80 Ca 0.01 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2fsf n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fsf s MET 81 N -3.15 0.58 -0.33 1.61 -1.94 -0.96 -4.93 119.30 110.19 2fsf s MET 81 Ca 0.00 0.02 -0.09 0.00 -1.71 0.00 0.00 55.69 53.92 2fsf s MET 81 Cb 0.00 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 36.09 2fsf s MET 81 CO 0.00 -0.17 0.14 0.50 -0.01 0.00 0.00 175.02 175.48 2fsf s ARG 82 N 1.29 3.04 0.07 2.03 3.52 -1.26 -2.32 118.95 125.32 2fsf s ARG 82 Ca -0.06 -0.91 -0.37 0.00 -0.13 0.00 0.00 55.73 54.26 2fsf s ARG 82 Cb -0.13 -3.55 -0.18 0.00 -1.56 0.00 0.00 34.95 29.53 2fsf s ARG 82 CO -0.02 -0.53 1.22 0.72 -0.81 0.00 0.00 175.30 175.88 2fsf n HIS 83 N 4.93 1.16 -1.43 5.12 8.25 -1.26 -4.94 115.22 127.05 2fsf n HIS 83 Ca -0.13 0.79 -0.31 0.00 -0.26 0.00 0.00 57.72 57.81 2fsf n HIS 83 Cb 0.47 -2.24 0.08 0.00 1.12 0.00 0.00 29.99 29.42 2fsf n HIS 83 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fsf s PHE 84 N 0.24 2.83 0.31 4.41 0.08 -1.26 -4.87 117.98 119.71 2fsf s PHE 84 Ca 0.85 1.41 0.07 0.00 0.12 0.00 0.00 56.93 59.38 2fsf s PHE 84 Cb -1.05 -2.99 0.78 0.00 -0.57 0.00 0.00 43.02 39.19 2fsf s PHE 84 CO 0.51 -1.59 1.75 -0.44 -0.10 0.00 0.00 175.22 175.34 2fsf h ASP 85 N -0.98 0.69 1.18 1.36 5.19 -1.99 -1.61 116.42 120.27 2fsf h ASP 85 Ca -0.45 0.12 -0.09 0.00 -0.62 0.00 0.00 57.03 55.99 2fsf h ASP 85 Cb 1.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2fsf h ASP 85 CO 0.55 0.18 -0.42 -0.37 -3.12 0.00 0.00 179.24 176.06 2fsf h VAL 86 N 0.66 0.83 -0.67 -1.35 -1.51 -1.92 -1.81 116.25 110.48 2fsf h VAL 86 Ca 0.60 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2fsf h VAL 86 Cb 1.03 2.16 -0.03 0.00 -2.13 0.00 0.00 31.29 32.32 2fsf h VAL 86 CO -0.43 0.42 0.42 1.56 -1.23 0.00 0.00 177.57 178.30 2fsf h GLN 87 N 0.00 0.89 -0.72 5.19 4.20 -1.66 -2.12 115.11 120.89 2fsf h GLN 87 Ca -0.00 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2fsf h GLN 87 Cb 1.13 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 2fsf h GLN 87 CO 0.06 0.62 0.42 -0.07 -0.67 0.00 0.00 178.83 179.18 2fsf h LEU 88 N 0.90 0.63 -0.94 1.46 3.38 -0.69 -1.54 115.31 118.51 2fsf h LEU 88 Ca 0.24 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2fsf h LEU 88 Cb -0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2fsf h LEU 88 CO -0.05 0.41 0.34 -0.07 0.09 0.00 0.00 178.44 179.16 2fsf h LEU 89 N 0.77 1.01 -0.35 1.67 3.38 -1.25 -1.07 115.31 119.47 2fsf h LEU 89 Ca 0.32 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2fsf h LEU 89 Cb 0.18 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2fsf h LEU 89 CO -0.18 0.87 -0.38 1.23 0.09 0.00 0.00 178.44 180.07 2fsf h GLY 90 N 1.13 0.95 0.89 0.83 0.00 -0.91 -0.73 103.07 105.23 2fsf h GLY 90 Ca 0.26 -0.99 0.03 0.00 0.00 0.00 0.00 47.33 46.63 2fsf h GLY 90 CO -0.03 0.89 0.59 -1.33 0.00 0.00 0.00 176.54 176.67 2fsf h GLY 91 N 0.67 1.32 1.32 4.60 0.00 -0.93 -0.24 103.07 109.81 2fsf h GLY 91 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2fsf h GLY 91 CO 0.09 0.39 -0.08 -0.33 0.00 0.00 0.00 176.54 176.62 2fsf h MET 92 N 1.15 0.81 -0.61 4.80 2.07 -0.79 -2.65 114.93 119.71 2fsf h MET 92 Ca 0.36 -0.26 -0.05 0.00 -2.07 0.00 0.00 59.70 57.68 2fsf h MET 92 Cb -0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 2fsf h MET 92 CO -0.11 0.86 0.17 0.28 1.07 0.00 0.00 176.91 179.18 2fsf h VAL 93 N 0.74 1.25 0.00 -2.22 2.07 -0.39 -2.95 116.25 114.74 2fsf h VAL 93 Ca 0.13 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2fsf h VAL 93 Cb 0.56 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2fsf h VAL 93 CO 0.03 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.88 2fsf h LEU 94 N 0.88 0.00 -0.78 2.57 3.38 -0.74 -1.83 115.31 118.80 2fsf h LEU 94 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2fsf h LEU 94 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2fsf h LEU 94 CO -0.00 0.00 -0.32 -1.13 0.09 0.00 0.00 178.44 177.08 2fsf h ASN 95 N 0.00 0.00 -3.08 -0.43 -1.24 -1.30 -3.44 115.58 106.09 2fsf h ASN 95 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 56.30 56.56 2fsf h ASN 95 Cb 0.43 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.55 2fsf h ASN 95 CO 0.00 0.32 0.12 -1.61 -1.29 0.00 0.00 177.43 174.97 2fsf s GLU 96 N -3.47 2.19 -1.33 6.67 0.41 -0.69 -4.96 118.70 117.52 2fsf s GLU 96 Ca 0.01 -0.58 -0.17 0.00 -0.41 0.00 0.00 54.97 53.83 2fsf s GLU 96 Cb 0.10 -2.30 0.07 0.00 -1.78 0.00 0.00 34.13 30.22 2fsf s GLU 96 CO 0.67 -1.12 1.84 -2.13 -0.49 0.00 0.00 175.26 174.04 2fsf n ARG 97 N -2.73 3.14 -3.95 1.61 0.63 -1.26 -4.60 116.66 109.49 2fsf n ARG 97 Ca 0.09 -3.16 -0.09 0.00 -0.92 0.00 0.00 57.85 53.77 2fsf n ARG 97 Cb 0.60 -3.41 -0.10 0.00 0.45 0.00 0.00 32.46 30.00 2fsf n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fsf s ILE 99 N -2.65 5.19 -0.41 0.00 -1.09 0.30 -2.34 121.20 120.20 2fsf s ILE 99 Ca -0.05 0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 59.06 2fsf s ILE 99 Cb -0.01 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 2fsf s ILE 99 CO -0.05 0.28 0.28 0.00 -1.23 0.00 0.00 174.94 174.22 2fsf s ALA 100 N 1.03 3.40 -0.36 9.38 0.00 -0.64 0.15 121.76 134.71 2fsf s ALA 100 Ca 0.22 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 2fsf s ALA 100 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2fsf s ALA 100 CO 0.08 -1.50 1.14 -1.21 0.00 0.00 0.00 175.76 174.28 2fsf s GLU 101 N 1.60 3.93 -0.14 0.00 2.02 -0.38 -2.63 118.70 123.11 2fsf s GLU 101 Ca 0.03 0.96 -0.00 0.00 0.02 0.00 0.00 54.97 55.98 2fsf s GLU 101 Cb -0.20 -3.82 0.03 0.00 0.10 0.00 0.00 34.13 30.24 2fsf s GLU 101 CO 0.08 -1.09 -0.10 -1.64 0.02 0.00 0.00 175.26 172.53 2fsf s MET 102 N 4.00 1.82 0.48 1.61 -1.94 -0.38 -1.16 119.30 123.73 2fsf s MET 102 Ca 0.48 -0.43 -0.20 0.00 -1.71 0.00 0.00 55.69 53.83 2fsf s MET 102 Cb -0.12 -1.88 -0.11 0.00 2.01 0.00 0.00 34.83 34.74 2fsf s MET 102 CO 0.22 -0.29 0.49 0.54 -0.01 0.00 0.00 175.02 175.97 2fsf n ARG 103 N 4.86 0.52 -1.70 2.03 1.74 -1.26 -3.77 116.66 119.08 2fsf n ARG 103 Ca -0.14 0.20 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 2fsf n ARG 103 Cb 0.49 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 2fsf n ARG 103 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2fsf n THR 104 N -1.21 3.48 -0.26 0.55 -1.04 -1.26 -1.70 114.28 112.83 2fsf n THR 104 Ca 0.11 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2fsf n THR 104 Cb 0.43 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2fsf n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fsf n GLY 105 N 0.89 2.30 0.04 3.41 0.00 -1.26 -4.67 105.19 105.90 2fsf n GLY 105 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 2fsf n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsf n GLU 106 N -2.00 1.04 -2.55 1.61 -0.58 -0.69 -4.89 120.64 112.59 2fsf n GLU 106 Ca 0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 57.16 56.61 2fsf n GLU 106 Cb 0.00 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2fsf n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fsf n GLY 107 N 1.02 0.41 0.38 0.62 0.00 -1.26 -4.87 105.19 101.49 2fsf n GLY 107 Ca 0.23 -0.39 0.24 0.00 0.00 0.00 0.00 46.02 46.10 2fsf n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsf h LYS 108 N -0.56 0.37 -0.42 1.61 1.57 -1.91 -1.40 116.57 115.84 2fsf h LYS 108 Ca -0.14 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2fsf h LYS 108 Cb 1.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2fsf h LYS 108 CO 0.13 0.25 0.06 1.15 -0.57 0.00 0.00 179.45 180.47 2fsf h THR 109 N 0.38 1.24 -0.04 -0.16 2.02 -1.98 -1.37 112.91 113.01 2fsf h THR 109 Ca 0.67 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2fsf h THR 109 Cb 1.62 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2fsf h THR 109 CO -0.43 0.31 -0.04 0.25 0.37 0.00 0.00 175.52 175.98 2fsf h LEU 110 N 0.54 0.10 -0.89 2.58 5.85 -1.74 -3.04 115.31 118.72 2fsf h LEU 110 Ca 0.13 -0.51 0.20 0.00 0.84 0.00 0.00 57.88 58.54 2fsf h LEU 110 Cb 0.39 -0.03 -0.17 0.00 0.37 0.00 0.00 40.66 41.22 2fsf h LEU 110 CO 0.01 0.59 -0.11 0.74 -0.34 0.00 0.00 178.44 179.32 2fsf h THR 111 N -0.38 0.13 0.00 1.05 2.02 -1.18 -1.40 112.91 113.15 2fsf h THR 111 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2fsf h THR 111 Cb 0.56 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2fsf h THR 111 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 2fsf h ALA 112 N 1.88 1.51 -0.45 6.16 0.00 -1.13 -1.85 119.26 125.39 2fsf h ALA 112 Ca 0.47 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.44 2fsf h ALA 112 Cb 0.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2fsf h ALA 112 CO -0.87 0.01 0.30 1.79 0.00 0.00 0.00 179.25 180.49 2fsf h THR 113 N 0.00 0.93 0.77 0.00 1.35 -1.25 -2.89 112.91 111.83 2fsf h THR 113 Ca -0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 2fsf h THR 113 Cb 0.02 0.60 0.01 0.00 -1.73 0.00 0.00 68.15 67.05 2fsf h THR 113 CO 0.00 0.06 -0.37 -0.07 -0.25 0.00 0.00 175.52 174.88 2fsf h LEU 114 N 0.30 -0.88 -0.65 3.87 3.38 -1.47 -2.28 115.31 117.58 2fsf h LEU 114 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2fsf h LEU 114 Cb 0.40 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2fsf h LEU 114 CO -0.04 -0.53 0.00 1.55 0.09 0.00 0.00 178.44 179.51 2fsf h PRO 115 N -1.25 0.00 -0.01 1.13 0.13 -1.73 -1.81 132.00 128.46 2fsf h PRO 115 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2fsf h PRO 115 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2fsf h PRO 115 CO 0.17 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 177.94 2fsf h ALA 116 N 2.28 0.01 0.93 -0.56 0.00 -1.50 -1.01 119.26 119.41 2fsf h ALA 116 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2fsf h ALA 116 Cb 0.43 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2fsf h ALA 116 CO 0.00 -0.33 -0.45 -0.92 0.00 0.00 0.00 179.25 177.55 2fsf h TYR 117 N -0.31 -1.16 -0.76 0.00 3.20 -1.26 -1.84 116.97 114.84 2fsf h TYR 117 Ca 0.00 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 61.99 2fsf h TYR 117 Cb 0.33 0.38 -0.14 0.00 1.54 0.00 0.00 36.73 38.84 2fsf h TYR 117 CO 0.04 -0.72 -0.22 1.25 -1.64 0.00 0.00 178.16 176.87 2fsf h LEU 118 N -1.29 -0.79 -0.34 2.82 5.85 -1.40 0.01 115.31 120.17 2fsf h LEU 118 Ca -0.13 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2fsf h LEU 118 Cb 0.96 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2fsf h LEU 118 CO 0.21 -0.26 0.00 0.59 -0.34 0.00 0.00 178.44 178.64 2fsf n ASN 119 N -5.50 0.52 0.11 1.25 3.02 -0.38 -2.71 115.26 111.57 2fsf n ASN 119 Ca 0.10 -1.21 0.12 0.00 -0.03 0.00 0.00 54.58 53.56 2fsf n ASN 119 Cb 0.39 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 2fsf n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fsf h ALA 120 N 4.08 0.53 -0.63 5.41 0.00 -0.11 -3.40 119.26 125.14 2fsf h ALA 120 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fsf h ALA 120 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2fsf h ALA 120 CO 0.00 0.00 0.38 -0.07 0.00 0.00 0.00 179.25 179.56 2fsf h LEU 121 N 0.00 0.74 0.00 0.00 3.38 -1.43 -1.80 115.31 116.20 2fsf h LEU 121 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2fsf h LEU 121 Cb 0.97 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2fsf h LEU 121 CO 0.00 0.57 0.00 0.35 0.09 0.00 0.00 178.44 179.45 2fsf n THR 122 N -4.41 0.15 -1.55 0.22 -2.24 -1.26 -4.79 114.28 100.40 2fsf n THR 122 Ca 0.06 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2fsf n THR 122 Cb 0.07 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2fsf n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fsf n GLY 123 N 0.43 0.46 0.09 3.38 0.00 -0.68 -4.93 105.19 103.95 2fsf n GLY 123 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.28 2fsf n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fsf n LYS 124 N -1.65 2.84 0.00 1.61 4.76 -1.26 -5.11 118.16 119.35 2fsf n LYS 124 Ca 0.00 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 2fsf n LYS 124 Cb 0.31 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 2fsf n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fsf n GLY 125 N 0.73 0.37 2.80 0.72 0.00 -1.26 -4.70 105.19 103.85 2fsf n GLY 125 Ca 0.02 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 2fsf n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fsf s VAL 126 N -2.66 -0.05 -0.37 1.61 1.01 -1.13 -4.19 120.40 114.61 2fsf s VAL 126 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2fsf s VAL 126 Cb 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 36.38 36.35 2fsf s VAL 126 CO 0.00 0.08 0.15 -1.00 0.00 0.00 0.00 175.10 174.33 2fsf s HIS 127 N 1.00 3.36 -0.14 5.22 3.76 0.24 0.13 115.29 128.86 2fsf s HIS 127 Ca -0.08 -1.80 -0.22 0.00 -0.15 0.00 0.00 55.06 52.81 2fsf s HIS 127 Cb -0.12 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 2fsf s HIS 127 CO -0.03 -0.84 0.67 0.08 -0.85 0.00 0.00 174.74 173.77 2fsf s VAL 128 N 1.31 5.02 -0.25 -0.90 1.01 -0.14 -0.75 120.40 125.70 2fsf s VAL 128 Ca 0.01 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2fsf s VAL 128 Cb -0.21 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2fsf s VAL 128 CO 0.00 0.16 0.00 -0.69 0.00 0.00 0.00 175.10 174.57 2fsf s VAL 129 N 1.48 3.56 0.31 2.92 1.01 0.50 -2.63 120.40 127.54 2fsf s VAL 129 Ca 0.33 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2fsf s VAL 129 Cb -0.16 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2fsf s VAL 129 CO 0.13 0.29 0.22 0.42 0.00 0.00 0.00 175.10 176.16 2fsf s THR 130 N 1.48 3.70 -0.19 3.92 -4.23 -0.65 -0.69 115.64 118.98 2fsf s THR 130 Ca 0.04 -1.47 0.16 0.00 -1.18 0.00 0.00 61.69 59.25 2fsf s THR 130 Cb -0.15 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.57 2fsf s THR 130 CO -0.01 -0.24 1.39 -0.37 -0.54 0.00 0.00 174.62 174.85 2fsf h VAL 131 N 1.40 0.70 -3.96 2.29 -1.51 -1.95 -3.18 116.25 110.04 2fsf h VAL 131 Ca -0.46 -2.02 -0.15 0.00 -1.23 0.00 0.00 66.70 62.84 2fsf h VAL 131 Cb 1.25 2.31 -0.10 0.00 -2.13 0.00 0.00 31.29 32.62 2fsf h VAL 131 CO 0.60 0.40 -0.23 0.54 -1.23 0.00 0.00 177.57 177.65 2fsf s ASN 132 N -6.33 0.23 0.26 4.19 2.20 -1.26 -4.91 114.94 109.32 2fsf s ASN 132 Ca 0.03 -1.17 0.08 0.00 -0.94 0.00 0.00 52.86 50.86 2fsf s ASN 132 Cb 0.07 0.57 0.32 0.00 -2.00 0.00 0.00 41.25 40.21 2fsf s ASN 132 CO 0.74 -1.13 1.59 0.44 -2.94 0.00 0.00 177.10 175.81 2fsf h ASP 133 N 2.28 0.09 -0.19 3.54 3.32 -1.96 -2.98 116.42 120.52 2fsf h ASP 133 Ca -0.29 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2fsf h ASP 133 Cb 1.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2fsf h ASP 133 CO 0.40 0.68 0.03 0.22 -1.72 0.00 0.00 179.24 178.85 2fsf h TYR 134 N 0.05 0.04 -0.77 4.55 3.20 -2.00 -2.26 116.97 119.79 2fsf h TYR 134 Ca -0.01 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fsf h TYR 134 Cb 1.11 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 2fsf h TYR 134 CO 0.01 0.01 0.47 -0.07 -1.64 0.00 0.00 178.16 176.93 2fsf h LEU 135 N 0.10 0.91 0.11 2.82 3.38 -1.97 -0.35 115.31 120.32 2fsf h LEU 135 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2fsf h LEU 135 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2fsf h LEU 135 CO -0.12 0.70 -0.05 0.00 0.09 0.00 0.00 178.44 179.05 2fsf h ALA 136 N 1.46 -0.14 -0.41 1.53 0.00 -1.34 0.16 119.26 120.51 2fsf h ALA 136 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2fsf h ALA 136 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2fsf h ALA 136 CO -0.05 -0.57 0.04 1.96 0.00 0.00 0.00 179.25 180.63 2fsf h GLN 137 N -0.17 0.70 0.60 0.00 4.20 -1.26 -1.17 115.11 118.00 2fsf h GLN 137 Ca -0.01 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 2fsf h GLN 137 Cb 0.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2fsf h GLN 137 CO 0.02 0.76 -0.30 -0.09 -0.67 0.00 0.00 178.83 178.56 2fsf h ARG 138 N 0.54 -0.78 -0.86 1.46 2.43 -0.89 -1.67 114.38 114.61 2fsf h ARG 138 Ca 0.12 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2fsf h ARG 138 Cb 0.42 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 2fsf h ARG 138 CO 0.01 -0.52 0.57 -0.44 -1.51 0.00 0.00 179.97 178.08 2fsf h ASP 139 N -0.81 0.96 -0.30 -3.80 3.32 -0.73 0.17 116.42 115.22 2fsf h ASP 139 Ca -0.08 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 2fsf h ASP 139 Cb 0.63 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2fsf h ASP 139 CO 0.13 0.68 -0.09 0.00 -1.72 0.00 0.00 179.24 178.23 2fsf h ALA 140 N 1.48 0.42 -0.15 3.45 0.00 -1.20 -1.06 119.26 122.19 2fsf h ALA 140 Ca 0.33 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2fsf h ALA 140 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2fsf h ALA 140 CO -0.09 0.26 -0.48 0.93 0.00 0.00 0.00 179.25 179.88 2fsf h GLU 141 N 0.36 0.39 -0.36 0.00 4.39 -1.01 -1.09 114.58 117.27 2fsf h GLU 141 Ca 0.07 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 2fsf h GLU 141 Cb 0.59 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2fsf h GLU 141 CO 0.03 0.79 -0.34 -0.91 -1.16 0.00 0.00 179.01 177.42 2fsf h ASN 142 N 0.31 0.87 1.44 1.42 2.35 -0.52 -3.26 115.58 118.21 2fsf h ASN 142 Ca 0.02 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2fsf h ASN 142 Cb 0.97 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2fsf h ASN 142 CO 0.08 1.13 -0.54 0.78 -1.65 0.00 0.00 177.43 177.23 2fsf h ASN 143 N 0.69 0.00 -0.91 5.81 2.35 -1.20 -3.38 115.58 118.94 2fsf h ASN 143 Ca 0.07 -0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.98 2fsf h ASN 143 Cb 0.90 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.17 2fsf h ASN 143 CO 0.08 0.00 0.50 -0.09 -1.65 0.00 0.00 177.43 176.27 2fsf h ARG 144 N 0.00 0.64 0.00 0.81 2.43 -1.23 0.60 114.38 117.63 2fsf h ARG 144 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2fsf h ARG 144 Cb 0.99 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2fsf h ARG 144 CO 0.00 0.43 -0.32 -1.35 -1.51 0.00 0.00 179.97 177.22 2fsf h PRO 145 N 0.66 0.00 -0.06 0.20 0.11 -1.76 -1.61 132.00 129.56 2fsf h PRO 145 Ca 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 2fsf h PRO 145 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2fsf h PRO 145 CO -0.38 0.32 -0.04 1.25 -0.21 0.00 0.00 178.00 178.94 2fsf h LEU 146 N 0.00 0.13 -0.40 2.35 5.85 -1.16 -2.58 115.31 119.49 2fsf h LEU 146 Ca -0.00 -0.45 -0.18 0.00 0.84 0.00 0.00 57.88 58.09 2fsf h LEU 146 Cb 0.61 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2fsf h LEU 146 CO 0.04 0.55 -0.80 -0.26 -0.34 0.00 0.00 178.44 177.63 2fsf h PHE 147 N -0.29 0.22 -0.71 1.25 0.04 -1.32 -3.05 116.94 113.08 2fsf h PHE 147 Ca 0.01 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 2fsf h PHE 147 Cb 0.50 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2fsf h PHE 147 CO 0.08 0.88 0.21 0.93 -0.60 0.00 0.00 178.31 179.81 2fsf h GLU 148 N 0.09 1.11 -0.97 1.51 5.08 -1.16 0.34 114.58 120.58 2fsf h GLU 148 Ca -0.03 -0.25 0.21 0.00 -1.00 0.00 0.00 59.36 58.30 2fsf h GLU 148 Cb 1.39 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.40 2fsf h GLU 148 CO 0.12 0.96 0.62 0.35 -1.00 0.00 0.00 179.01 180.06 2fsf h PHE 149 N 1.05 0.75 -0.54 4.33 3.57 -1.35 -0.47 116.94 124.27 2fsf h PHE 149 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2fsf h PHE 149 Cb 0.32 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2fsf h PHE 149 CO 0.03 0.16 0.00 1.28 -2.23 0.00 0.00 178.31 177.54 2fsf n LEU 150 N -4.62 5.17 -0.72 0.59 4.77 -0.78 -3.81 117.00 117.60 2fsf n LEU 150 Ca 0.22 -2.82 -0.06 0.00 -0.03 0.00 0.00 56.01 53.32 2fsf n LEU 150 Cb 0.70 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2fsf n LEU 150 CO 0.26 0.68 -0.08 0.61 -1.33 0.00 0.00 177.39 177.53 2fsf n GLY 151 N 0.54 0.13 3.55 -0.72 0.00 -0.19 -4.60 105.19 103.91 2fsf n GLY 151 Ca 0.26 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2fsf n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fsf s LEU 152 N -1.81 2.88 0.08 0.99 1.43 0.11 -4.98 118.68 117.37 2fsf s LEU 152 Ca 0.00 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2fsf s LEU 152 Cb 0.00 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2fsf s LEU 152 CO 0.00 0.08 0.08 0.42 0.23 0.00 0.00 176.35 177.16 2fsf s THR 153 N -1.89 4.53 -0.07 5.49 -4.23 -1.26 -2.90 115.64 115.30 2fsf s THR 153 Ca 0.26 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2fsf s THR 153 Cb -0.08 -3.18 -0.00 0.00 1.34 0.00 0.00 72.50 70.58 2fsf s THR 153 CO 0.15 0.13 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.47 2fsf s VAL 154 N -1.38 1.73 0.14 2.29 1.01 -1.26 -2.01 120.40 120.92 2fsf s VAL 154 Ca 0.29 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2fsf s VAL 154 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2fsf s VAL 154 CO 0.22 0.49 -0.12 -0.83 0.00 0.00 0.00 175.10 174.85 2fsf s GLY 155 N 0.18 1.74 -0.05 4.51 0.00 0.99 -4.96 107.32 109.73 2fsf s GLY 155 Ca -0.10 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.28 2fsf s GLY 155 CO 0.05 -1.36 -0.11 -1.50 0.00 0.00 0.00 173.10 170.18 2fsf s ILE 156 N -1.39 0.99 -0.14 0.90 1.10 -1.26 -1.28 121.20 120.12 2fsf s ILE 156 Ca 0.22 -0.43 -0.00 0.00 -0.51 0.00 0.00 60.65 59.92 2fsf s ILE 156 Cb -0.10 -0.90 -0.01 0.00 0.15 0.00 0.00 42.46 41.60 2fsf s ILE 156 CO 0.13 0.31 -0.12 0.21 -2.11 0.00 0.00 174.94 173.36 2fsf s ASN 157 N 0.46 3.98 0.07 4.50 2.47 -0.52 -4.73 114.94 121.17 2fsf s ASN 157 Ca -0.09 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 52.86 2fsf s ASN 157 Cb -0.13 -1.62 -0.03 0.00 -1.45 0.00 0.00 41.25 38.02 2fsf s ASN 157 CO 0.02 0.13 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.68 2fsf s LEU 158 N 0.55 2.33 0.34 3.21 1.43 -1.26 -4.50 118.68 120.79 2fsf s LEU 158 Ca -0.08 -0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 52.05 2fsf s LEU 158 Cb -0.16 -0.24 -0.12 0.00 0.03 0.00 0.00 46.19 45.70 2fsf s LEU 158 CO 0.04 -0.23 1.40 -0.81 0.23 0.00 0.00 176.35 176.98 2fsf n PRO 159 N 1.01 2.38 -0.04 1.29 -0.04 -1.26 -1.87 135.00 136.47 2fsf n PRO 159 Ca -0.19 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2fsf n PRO 159 Cb 0.56 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2fsf n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fsf n GLY 160 N 0.87 2.44 3.72 0.55 0.00 -1.26 -5.02 105.19 106.49 2fsf n GLY 160 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2fsf n GLY 160 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fsf s MET 161 N -0.16 4.40 0.69 1.61 0.00 -0.78 -4.96 119.30 120.09 2fsf s MET 161 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 55.69 57.47 2fsf s MET 161 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 34.83 31.56 2fsf s MET 161 CO 0.00 -0.29 1.13 -2.30 0.00 0.00 0.00 175.02 173.56 2fsf n PRO 162 N 3.48 0.76 -0.25 4.11 -0.02 -1.26 -4.65 135.00 137.17 2fsf n PRO 162 Ca 0.09 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.90 2fsf n PRO 162 Cb 0.44 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.69 2fsf n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsf h ALA 163 N 0.07 0.99 -0.90 3.55 0.00 -1.99 -0.99 119.26 119.98 2fsf h ALA 163 Ca -0.49 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2fsf h ALA 163 Cb 1.34 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2fsf h ALA 163 CO 0.50 -0.05 0.59 -1.35 0.00 0.00 0.00 179.25 178.94 2fsf h PRO 164 N 0.60 1.03 -0.00 0.00 0.11 -1.98 -1.16 132.00 130.61 2fsf h PRO 164 Ca 0.35 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.28 2fsf h PRO 164 Cb 0.37 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2fsf h PRO 164 CO -0.27 0.68 -0.57 0.00 -0.21 0.00 0.00 178.00 177.63 2fsf h ALA 165 N 1.50 1.06 -0.54 -0.75 0.00 -1.64 -2.19 119.26 116.70 2fsf h ALA 165 Ca 0.38 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2fsf h ALA 165 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fsf h ALA 165 CO -0.13 0.71 0.06 0.87 0.00 0.00 0.00 179.25 180.76 2fsf h LYS 166 N 0.00 0.92 -0.37 0.00 1.57 -0.60 -1.68 116.57 116.41 2fsf h LYS 166 Ca -0.01 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2fsf h LYS 166 Cb 1.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2fsf h LYS 166 CO 0.07 0.90 0.16 0.00 -0.57 0.00 0.00 179.45 180.02 2fsf h ARG 167 N 0.80 0.54 -0.59 3.15 3.08 -1.05 -0.15 114.38 120.17 2fsf h ARG 167 Ca 0.16 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.23 2fsf h ARG 167 Cb 0.45 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 2fsf h ARG 167 CO 0.02 0.51 0.13 0.93 -1.07 0.00 0.00 179.97 180.49 2fsf h GLU 168 N 0.45 0.26 -0.78 0.04 5.08 -1.29 0.31 114.58 118.65 2fsf h GLU 168 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2fsf h GLU 168 Cb 0.16 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2fsf h GLU 168 CO -0.01 0.17 0.44 0.00 -1.00 0.00 0.00 179.01 178.60 2fsf h ALA 169 N 1.46 1.00 0.00 3.43 0.00 -0.30 -1.71 119.26 123.14 2fsf h ALA 169 Ca 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2fsf h ALA 169 Cb 0.45 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2fsf h ALA 169 CO -0.39 0.51 -0.01 1.88 0.00 0.00 0.00 179.25 181.24 2fsf h TYR 170 N 1.08 0.00 0.00 0.00 0.05 -0.66 -2.94 116.97 114.51 2fsf h TYR 170 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2fsf h TYR 170 Cb 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 2fsf h TYR 170 CO 0.00 0.01 -0.18 0.00 -1.05 0.00 0.00 178.16 176.95 2fsf n ALA 171 N -2.10 2.74 -1.04 3.88 0.00 0.11 -4.75 120.51 119.34 2fsf n ALA 171 Ca 0.03 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 2fsf n ALA 171 Cb 0.49 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.76 2fsf n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsf s ALA 172 N -3.01 1.05 0.21 0.00 0.00 -0.70 -4.94 121.76 114.37 2fsf s ALA 172 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 2fsf s ALA 172 Cb 0.18 -3.21 0.18 0.00 0.00 0.00 0.00 23.12 20.28 2fsf s ALA 172 CO 0.59 -2.76 1.56 -0.44 0.00 0.00 0.00 175.76 174.70 2fsf h ASP 173 N -1.85 0.58 -3.49 0.00 3.32 -1.76 -3.43 116.42 109.79 2fsf h ASP 173 Ca -0.52 -0.28 -0.36 0.00 0.02 0.00 0.00 57.03 55.89 2fsf h ASP 173 Cb 1.30 -0.16 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 2fsf h ASP 173 CO 0.53 0.96 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.63 2fsf s ILE 174 N -4.11 0.27 0.01 0.35 1.01 -0.85 -2.85 121.20 115.03 2fsf s ILE 174 Ca -0.07 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.66 2fsf s ILE 174 Cb 0.12 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 2fsf s ILE 174 CO 0.83 0.16 -0.13 -0.89 0.00 0.00 0.00 174.94 174.91 2fsf s THR 175 N 0.98 3.18 -0.05 2.92 2.01 0.12 -0.01 115.64 124.80 2fsf s THR 175 Ca -0.10 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.00 2fsf s THR 175 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2fsf s THR 175 CO -0.01 0.40 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.82 2fsf s TYR 176 N -0.93 2.58 0.00 4.92 2.02 -0.41 -0.97 117.35 124.57 2fsf s TYR 176 Ca 0.15 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 2fsf s TYR 176 Cb -0.11 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 2fsf s TYR 176 CO 0.06 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 2fsf n GLY 177 N 2.57 0.40 3.87 0.71 0.00 -1.08 -1.44 105.19 110.22 2fsf n GLY 177 Ca -0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2fsf n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fsf s THR 178 N -2.00 4.72 0.28 2.61 -4.23 -1.26 -1.63 115.64 114.12 2fsf s THR 178 Ca 0.00 0.85 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 2fsf s THR 178 Cb 0.00 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.25 2fsf s THR 178 CO 0.00 -1.11 1.69 -0.55 -0.54 0.00 0.00 174.62 174.11 2fsf h ASN 179 N -0.23 0.21 -0.23 3.99 -1.07 -1.90 -2.30 115.58 114.06 2fsf h ASN 179 Ca -0.44 0.15 -0.03 0.00 0.07 0.00 0.00 56.30 56.05 2fsf h ASN 179 Cb 1.19 0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 2fsf h ASN 179 CO 0.62 -0.02 0.01 0.78 0.07 0.00 0.00 177.43 178.89 2fsf h ASN 180 N 0.35 0.38 0.33 6.14 2.35 -1.93 -2.36 115.58 120.84 2fsf h ASN 180 Ca 0.52 -0.29 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 2fsf h ASN 180 Cb 0.95 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 2fsf h ASN 180 CO -0.53 0.58 -0.73 -0.08 -1.65 0.00 0.00 177.43 175.02 2fsf h GLU 181 N 0.18 0.34 0.05 0.81 4.57 -1.90 -0.76 114.58 117.86 2fsf h GLU 181 Ca 0.07 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2fsf h GLU 181 Cb 0.38 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2fsf h GLU 181 CO 0.01 0.93 -0.03 1.88 -1.18 0.00 0.00 179.01 180.62 2fsf h TYR 182 N 0.23 -0.08 -0.48 0.92 0.05 -1.37 -1.83 116.97 114.42 2fsf h TYR 182 Ca -0.03 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.77 2fsf h TYR 182 Cb 1.29 0.03 -0.03 0.00 1.01 0.00 0.00 36.73 39.03 2fsf h TYR 182 CO 0.04 -0.05 0.28 0.78 -1.05 0.00 0.00 178.16 178.16 2fsf h GLY 183 N -0.07 0.67 1.01 3.88 0.00 -1.29 -1.96 103.07 105.30 2fsf h GLY 183 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2fsf h GLY 183 CO 0.00 0.18 0.09 0.74 0.00 0.00 0.00 176.54 177.55 2fsf h PHE 184 N 0.56 0.96 -0.78 5.60 0.04 -1.08 -2.56 116.94 119.69 2fsf h PHE 184 Ca 0.19 -0.13 0.11 0.00 2.80 0.00 0.00 57.97 60.94 2fsf h PHE 184 Cb 0.02 -0.26 -0.08 0.00 2.20 0.00 0.00 35.95 37.83 2fsf h PHE 184 CO -0.07 0.85 0.40 -0.44 -0.60 0.00 0.00 178.31 178.45 2fsf h ASP 185 N 0.80 0.51 -0.11 2.17 3.32 -1.18 -0.36 116.42 121.57 2fsf h ASP 185 Ca 0.17 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2fsf h ASP 185 Cb 0.41 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2fsf h ASP 185 CO 0.01 0.27 0.00 0.22 -1.72 0.00 0.00 179.24 178.02 2fsf h TYR 186 N 0.64 0.00 -0.56 4.55 3.20 -1.21 0.96 116.97 124.55 2fsf h TYR 186 Ca 0.40 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 2fsf h TYR 186 Cb 0.46 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2fsf h TYR 186 CO -0.10 -0.01 0.34 -0.07 -1.64 0.00 0.00 178.16 176.68 2fsf h LEU 187 N 0.04 0.68 -0.72 2.82 3.38 -1.15 -2.40 115.31 117.96 2fsf h LEU 187 Ca 0.05 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2fsf h LEU 187 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2fsf h LEU 187 CO -0.08 0.54 -0.18 0.03 0.09 0.00 0.00 178.44 178.84 2fsf h ARG 188 N 0.76 0.79 -0.18 1.13 3.08 -0.89 -2.07 114.38 117.00 2fsf h ARG 188 Ca 0.20 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2fsf h ARG 188 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2fsf h ARG 188 CO -0.04 0.91 0.12 -0.44 -1.07 0.00 0.00 179.97 179.46 2fsf h ASP 189 N 0.70 0.15 -0.57 7.04 5.19 -0.50 -1.43 116.42 127.00 2fsf h ASP 189 Ca 0.11 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2fsf h ASP 189 Cb 0.68 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2fsf h ASP 189 CO 0.05 0.10 0.00 0.59 -3.12 0.00 0.00 179.24 176.86 2fsf n ASN 190 N -4.51 3.97 -0.34 6.45 3.02 -0.81 -3.05 115.26 120.00 2fsf n ASN 190 Ca 0.00 -2.31 0.04 0.00 -0.03 0.00 0.00 54.58 52.29 2fsf n ASN 190 Cb 0.14 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.84 2fsf n ASN 190 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsf n MET 191 N 1.00 0.39 -1.69 3.52 2.81 -0.56 -5.06 117.12 117.53 2fsf n MET 191 Ca 0.22 -1.07 -0.34 0.00 -1.81 0.00 0.00 57.70 54.70 2fsf n MET 191 Cb 0.73 -1.16 0.06 0.00 -0.71 0.00 0.00 33.22 32.14 2fsf n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsf s ALA 192 N -0.71 2.35 -1.50 3.04 0.00 -1.07 -4.97 121.76 118.91 2fsf s ALA 192 Ca 0.10 0.75 0.12 0.00 0.00 0.00 0.00 51.96 52.94 2fsf s ALA 192 Cb 0.07 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.88 2fsf s ALA 192 CO 0.10 -1.46 0.87 1.19 0.00 0.00 0.00 175.76 176.46 2fsf n PHE 193 N -2.36 0.00 -3.81 0.00 3.01 -1.26 -4.95 117.46 108.10 2fsf n PHE 193 Ca 0.12 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.46 2fsf n PHE 193 Cb 0.51 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.89 2fsf n PHE 193 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2fsf s SER 194 N -1.11 -0.10 0.54 4.37 1.04 -1.26 -4.96 113.70 112.23 2fsf s SER 194 Ca 0.14 -0.04 0.31 0.00 0.48 0.00 0.00 55.95 56.84 2fsf s SER 194 Cb 0.10 0.27 1.55 0.00 0.10 0.00 0.00 66.02 68.04 2fsf s SER 194 CO 0.18 -0.42 2.09 1.55 0.98 0.00 0.00 173.24 177.62 2fsf h PRO 195 N 4.03 0.00 0.00 4.02 0.13 -1.93 -1.84 132.00 136.41 2fsf h PRO 195 Ca -0.30 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2fsf h PRO 195 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2fsf h PRO 195 CO 0.40 0.09 -0.32 0.93 -0.23 0.00 0.00 178.00 178.87 2fsf h GLU 196 N 0.00 0.00 0.00 0.86 3.07 -1.96 -2.51 114.58 114.05 2fsf h GLU 196 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2fsf h GLU 196 Cb 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2fsf h GLU 196 CO 0.01 0.32 -0.10 0.93 -1.40 0.00 0.00 179.01 178.77 2fsf h GLU 197 N 0.00 0.00 -7.09 2.33 5.08 -1.75 -3.45 114.58 109.70 2fsf h GLU 197 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2fsf h GLU 197 Cb 0.63 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.04 2fsf h GLU 197 CO 0.04 0.10 0.55 1.03 -1.00 0.00 0.00 179.01 179.73 2fsf s ARG 198 N -4.05 2.71 -0.17 2.33 0.52 -0.95 -4.95 118.95 114.39 2fsf s ARG 198 Ca -0.02 2.13 0.10 0.00 -0.52 0.00 0.00 55.73 57.42 2fsf s ARG 198 Cb 0.12 -1.96 -0.18 0.00 0.52 0.00 0.00 34.95 33.45 2fsf s ARG 198 CO 0.57 -1.50 -0.01 1.33 0.02 0.00 0.00 175.30 175.71 2fsf n VAL 199 N -1.66 1.10 -3.09 3.52 0.24 -1.26 -4.94 118.33 112.23 2fsf n VAL 199 Ca 0.14 -0.60 -0.25 0.00 -2.04 0.00 0.00 64.34 61.59 2fsf n VAL 199 Cb 0.47 -0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 32.07 2fsf n VAL 199 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fsf s GLN 200 N -2.39 3.51 0.13 7.34 -0.21 -1.26 -4.38 119.66 122.40 2fsf s GLN 200 Ca -0.13 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.13 2fsf s GLN 200 Cb 0.05 -2.55 0.02 0.00 1.00 0.00 0.00 33.01 31.53 2fsf s GLN 200 CO 0.59 0.01 0.18 0.54 -2.12 0.00 0.00 175.29 174.50 2fsf n ARG 201 N -1.96 0.72 -1.73 2.91 1.74 -1.26 -5.06 116.66 112.02 2fsf n ARG 201 Ca -0.03 -0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 56.05 2fsf n ARG 201 Cb 0.56 -0.09 -0.01 0.00 -1.02 0.00 0.00 32.46 31.90 2fsf n ARG 201 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2fsf n LYS 202 N -1.30 2.46 -2.43 5.56 4.81 -1.26 -4.83 118.16 121.17 2fsf n LYS 202 Ca 0.03 0.87 -0.42 0.00 -0.87 0.00 0.00 58.31 57.92 2fsf n LYS 202 Cb 0.12 -2.56 -0.02 0.00 0.02 0.00 0.00 35.03 32.58 2fsf n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2fsf s LEU 203 N -1.11 3.45 -0.15 3.14 1.43 -1.26 -4.87 118.68 119.30 2fsf s LEU 203 Ca 0.58 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.88 2fsf s LEU 203 Cb -0.53 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2fsf s LEU 203 CO 0.58 -1.61 -0.29 1.57 0.23 0.00 0.00 176.35 176.83 2fsf n HIS 204 N 9.20 0.07 -3.69 0.29 -0.00 -1.26 -2.46 115.22 117.37 2fsf n HIS 204 Ca 0.12 0.03 -0.19 0.00 -0.00 0.00 0.00 57.72 57.69 2fsf n HIS 204 Cb 0.49 -0.46 -0.17 0.00 -0.00 0.00 0.00 29.99 29.85 2fsf n HIS 204 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2fsf s TYR 205 N -2.61 0.04 -0.22 1.57 5.04 -1.26 -0.62 117.35 119.29 2fsf s TYR 205 Ca -0.24 0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 2fsf s TYR 205 Cb 0.03 -0.41 0.02 0.00 0.35 0.00 0.00 41.96 41.95 2fsf s TYR 205 CO 0.36 -0.17 -0.10 0.00 -1.34 0.00 0.00 175.55 174.29 2fsf s ALA 206 N 1.95 2.61 -0.30 3.97 0.00 -0.76 -0.60 121.76 128.64 2fsf s ALA 206 Ca 0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 2fsf s ALA 206 Cb -0.12 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.48 2fsf s ALA 206 CO -0.03 -0.61 0.04 -1.17 0.00 0.00 0.00 175.76 173.99 2fsf s LEU 207 N 1.34 3.86 -0.26 0.00 2.96 0.07 -1.49 118.68 125.17 2fsf s LEU 207 Ca 0.02 -0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 52.87 2fsf s LEU 207 Cb -0.15 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2fsf s LEU 207 CO -0.07 -0.23 0.14 -0.69 -1.32 0.00 0.00 176.35 174.18 2fsf s VAL 208 N 1.39 4.95 0.15 1.68 1.01 0.58 -0.37 120.40 129.78 2fsf s VAL 208 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2fsf s VAL 208 Cb -0.18 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 32.72 2fsf s VAL 208 CO 0.01 0.30 1.36 0.44 0.00 0.00 0.00 175.10 177.21 2fsf h ASP 209 N 8.12 0.57 -2.94 3.32 3.32 -1.19 -1.62 116.42 126.01 2fsf h ASP 209 Ca -0.37 -0.41 -0.56 0.00 0.02 0.00 0.00 57.03 55.71 2fsf h ASP 209 Cb 1.18 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 40.16 2fsf h ASP 209 CO 0.58 1.18 -0.78 -1.61 -1.72 0.00 0.00 179.24 176.89 2fsf s GLU 210 N -3.50 0.54 0.45 3.56 2.02 -1.25 -4.33 118.70 116.19 2fsf s GLU 210 Ca -0.06 -1.01 0.25 0.00 0.02 0.00 0.00 54.97 54.16 2fsf s GLU 210 Cb 0.10 -1.57 0.78 0.00 0.10 0.00 0.00 34.13 33.53 2fsf s GLU 210 CO 0.86 -1.06 1.76 -0.39 0.02 0.00 0.00 175.26 176.45 2fsf h VAL 211 N 6.04 0.34 -0.01 2.63 -1.51 -1.56 -2.95 116.25 119.23 2fsf h VAL 211 Ca -0.11 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2fsf h VAL 211 Cb 0.99 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 2fsf h VAL 211 CO 0.42 0.16 0.00 0.44 -1.23 0.00 0.00 177.57 177.36 2fsf h ASP 212 N 0.00 0.01 -0.10 4.19 3.32 -1.96 0.96 116.42 122.84 2fsf h ASP 212 Ca -0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2fsf h ASP 212 Cb 0.84 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2fsf h ASP 212 CO 0.02 0.03 -0.40 0.77 -1.72 0.00 0.00 179.24 177.94 2fsf h SER 213 N -0.02 0.53 0.07 6.45 4.64 -1.96 0.16 113.55 123.42 2fsf h SER 213 Ca 0.00 -0.63 -0.24 0.00 -0.47 0.00 0.00 61.79 60.46 2fsf h SER 213 Cb 0.03 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2fsf h SER 213 CO -0.00 1.07 -0.97 0.40 -0.87 0.00 0.00 176.83 176.46 2fsf h ILE 214 N 0.02 1.35 0.00 0.95 2.04 -1.37 -1.70 117.51 118.80 2fsf h ILE 214 Ca -0.02 -2.32 -0.33 0.00 1.00 0.00 0.00 64.86 63.19 2fsf h ILE 214 Cb 1.04 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 39.73 2fsf h ILE 214 CO 0.08 0.69 -2.30 0.18 0.00 0.00 0.00 178.15 176.80 2fsf n LEU 215 N -3.97 0.00 -0.05 1.44 4.77 0.28 -4.37 117.00 115.09 2fsf n LEU 215 Ca -0.12 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2fsf n LEU 215 Cb 0.86 0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 42.37 2fsf n LEU 215 CO 0.53 0.45 -0.44 -0.38 -1.33 0.00 0.00 177.39 176.22 2fsf n ILE 216 N -2.68 1.07 -0.15 -0.08 2.08 -0.87 -4.06 119.36 114.66 2fsf n ILE 216 Ca -0.30 0.24 -0.04 0.00 0.56 0.00 0.00 62.75 63.22 2fsf n ILE 216 Cb 1.09 -2.04 0.16 0.00 -0.75 0.00 0.00 39.64 38.10 2fsf n ILE 216 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2fsf h ASP 217 N -0.64 0.83 -0.45 4.38 3.32 -0.95 -2.76 116.42 120.15 2fsf h ASP 217 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2fsf h ASP 217 Cb 0.64 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2fsf h ASP 217 CO 0.00 0.83 0.00 -0.62 -1.72 0.00 0.00 179.24 177.73 2fsf n GLU 218 N -4.25 2.10 -0.23 3.56 -0.58 -0.64 -4.62 120.64 115.98 2fsf n GLU 218 Ca 0.04 -1.71 0.04 0.00 -0.42 0.00 0.00 57.16 55.10 2fsf n GLU 218 Cb 0.25 -1.39 0.16 0.00 -0.57 0.00 0.00 31.44 29.90 2fsf n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2fsf h ALA 219 N 3.94 0.89 -0.03 0.62 0.00 -1.63 -1.84 119.26 121.21 2fsf h ALA 219 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2fsf h ALA 219 Cb 0.65 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2fsf h ALA 219 CO 0.00 -0.29 -0.10 0.54 0.00 0.00 0.00 179.25 179.39 2fsf n ARG 220 N -5.11 2.02 -1.85 0.00 1.74 -1.26 -0.24 116.66 111.97 2fsf n ARG 220 Ca 0.12 -1.64 -0.42 0.00 -0.77 0.00 0.00 57.85 55.14 2fsf n ARG 220 Cb 0.40 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 2fsf n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2fsf s THR 221 N -2.11 3.11 0.04 0.55 2.01 -0.69 -4.74 115.64 113.81 2fsf s THR 221 Ca 0.27 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 2fsf s THR 221 Cb 0.20 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2fsf s THR 221 CO 0.36 -0.02 1.08 -2.16 -0.69 0.00 0.00 174.62 173.20 2fsf s PRO 222 N 3.54 4.51 -0.01 4.92 0.04 -1.26 -1.95 135.00 144.80 2fsf s PRO 222 Ca 0.79 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2fsf s PRO 222 Cb -0.40 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 2fsf s PRO 222 CO 0.35 -0.12 0.67 -0.51 0.04 0.00 0.00 177.00 177.43 2fsf s LEU 223 N 0.89 4.40 -0.04 -3.56 1.43 0.07 -4.96 118.68 116.90 2fsf s LEU 223 Ca 0.54 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 2fsf s LEU 223 Cb -0.25 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 42.94 2fsf s LEU 223 CO 0.29 0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 176.23 2fsf s ILE 224 N 0.13 0.40 -0.14 -0.59 1.01 -1.26 -1.45 121.20 119.29 2fsf s ILE 224 Ca 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 2fsf s ILE 224 Cb -0.19 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 2fsf s ILE 224 CO 0.19 0.19 -0.04 -0.63 0.00 0.00 0.00 174.94 174.65 2fsf s ILE 225 N 0.86 3.92 0.25 2.92 1.01 -0.10 -5.01 121.20 125.06 2fsf s ILE 225 Ca -0.10 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.30 2fsf s ILE 225 Cb -0.13 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2fsf s ILE 225 CO -0.00 0.51 -0.15 -0.44 0.00 0.00 0.00 174.94 174.86 2fsf s SER 226 N 0.15 3.86 0.12 3.58 0.01 -1.26 -0.18 113.70 119.99 2fsf s SER 226 Ca -0.01 -0.86 -0.25 0.00 1.31 0.00 0.00 55.95 56.13 2fsf s SER 226 Cb -0.14 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.71 2fsf s SER 226 CO 0.03 0.05 1.07 -0.83 0.41 0.00 0.00 173.24 173.97 2fsf s GLY 227 N -3.34 -0.13 1.04 3.44 0.00 0.78 -4.82 107.32 104.29 2fsf s GLY 227 Ca 0.28 0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.82 2fsf s GLY 227 CO 0.15 1.28 -0.90 -1.05 0.00 0.00 0.00 173.10 172.59 2fsf n PRO 228 N -0.59 -0.57 -1.28 2.90 -0.02 -1.26 0.93 135.00 135.11 2fsf n PRO 228 Ca -0.05 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2fsf n PRO 228 Cb 0.60 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2fsf n PRO 228 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2fsf n ILE 365 N -3.76 -0.23 -1.38 4.25 -0.00 -1.26 -4.44 119.36 112.55 2fsf n ILE 365 Ca -0.01 0.11 -0.23 0.00 -0.00 0.00 0.00 62.75 62.62 2fsf n ILE 365 Cb 0.69 -0.14 0.17 0.00 -0.00 0.00 0.00 39.64 40.36 2fsf n ILE 365 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2fsf n GLN 366 N -0.23 -1.72 -0.11 0.38 3.00 -1.26 -5.03 117.38 112.42 2fsf n GLN 366 Ca 0.00 -1.50 -0.22 0.00 -0.01 0.00 0.00 57.00 55.28 2fsf n GLN 366 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 30.24 28.98 2fsf n GLN 366 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2fsf n ASN 367 N -4.01 1.88 -1.40 1.08 2.85 -1.26 -5.12 115.26 109.28 2fsf n ASN 367 Ca 0.12 0.42 0.17 0.00 -0.11 0.00 0.00 54.58 55.19 2fsf n ASN 367 Cb 0.45 -0.92 -0.06 0.00 1.24 0.00 0.00 39.78 40.49 2fsf n ASN 367 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2fsf n GLU 368 N -4.41 -2.96 -4.03 1.20 1.02 -1.26 -5.02 120.64 105.18 2fsf n GLU 368 Ca -0.34 2.21 -0.08 0.00 -0.02 0.00 0.00 57.16 58.93 2fsf n GLU 368 Cb 0.68 -3.57 -0.10 0.00 -0.02 0.00 0.00 31.44 28.44 2fsf n GLU 368 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fsf s ASN 369 N -6.96 0.39 0.22 1.62 6.03 -1.26 -4.49 114.94 110.48 2fsf s ASN 369 Ca 0.00 -0.86 -0.19 0.00 -1.03 0.00 0.00 52.86 50.78 2fsf s ASN 369 Cb 0.00 0.21 0.03 0.00 -3.03 0.00 0.00 41.25 38.46 2fsf s ASN 369 CO 0.00 -0.58 0.58 0.00 -2.03 0.00 0.00 177.10 175.07 2fsf s GLN 370 N -3.55 1.48 -0.04 3.55 -2.07 0.26 -4.91 119.66 114.39 2fsf s GLN 370 Ca 0.03 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.41 2fsf s GLN 370 Cb 0.05 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.49 2fsf s GLN 370 CO -0.09 -0.65 1.16 0.99 -1.32 0.00 0.00 175.29 175.39 2fsf s THR 371 N -3.88 4.34 -0.15 3.63 2.01 -1.26 -0.16 115.64 120.17 2fsf s THR 371 Ca 0.09 1.66 0.18 0.00 0.31 0.00 0.00 61.69 63.93 2fsf s THR 371 Cb -0.02 -4.06 -0.25 0.00 0.01 0.00 0.00 72.50 68.17 2fsf s THR 371 CO -0.01 0.03 0.28 0.18 -0.69 0.00 0.00 174.62 174.41 2fsf n LEU 372 N 4.91 0.18 -3.63 4.42 4.77 0.75 -4.71 117.00 123.68 2fsf n LEU 372 Ca 0.10 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 2fsf n LEU 372 Cb 0.47 0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 2fsf n LEU 372 CO 0.55 0.36 0.39 0.00 -1.33 0.00 0.00 177.39 177.36 2fsf s ALA 373 N -2.73 -1.82 -0.06 -1.18 0.00 -1.11 -4.60 121.76 110.27 2fsf s ALA 373 Ca -0.08 2.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.94 2fsf s ALA 373 Cb 0.08 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2fsf s ALA 373 CO 0.84 -0.35 0.26 0.45 0.00 0.00 0.00 175.76 176.95 2fsf s SER 374 N 0.83 -0.19 -0.15 0.00 0.15 -1.26 -0.93 113.70 112.15 2fsf s SER 374 Ca -0.04 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.64 2fsf s SER 374 Cb -0.05 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2fsf s SER 374 CO -0.07 -0.25 0.60 -0.51 1.20 0.00 0.00 173.24 174.21 2fsf s ILE 375 N -0.60 0.01 0.62 6.45 2.07 -0.53 -5.00 121.20 124.22 2fsf s ILE 375 Ca -0.07 -0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.04 2fsf s ILE 375 Cb -0.04 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2fsf s ILE 375 CO 0.02 -0.03 0.95 0.42 -1.91 0.00 0.00 174.94 174.39 2fsf s THR 376 N -0.33 3.68 0.21 4.00 -4.23 -1.26 -0.75 115.64 116.96 2fsf s THR 376 Ca -0.05 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.54 2fsf s THR 376 Cb -0.03 -3.48 0.15 0.00 1.34 0.00 0.00 72.50 70.48 2fsf s THR 376 CO 0.04 -0.54 1.77 -0.26 -0.54 0.00 0.00 174.62 175.09 2fsf h PHE 377 N -0.29 1.22 -0.28 3.99 0.04 -0.97 -0.97 116.94 119.67 2fsf h PHE 377 Ca -0.45 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.28 2fsf h PHE 377 Cb 1.25 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 2fsf h PHE 377 CO 0.49 0.93 -0.10 0.37 -0.60 0.00 0.00 178.31 179.39 2fsf h GLN 378 N 1.16 -0.05 0.00 1.51 4.15 -0.85 -1.34 115.11 119.69 2fsf h GLN 378 Ca 0.26 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 2fsf h GLN 378 Cb 0.24 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2fsf h GLN 378 CO -0.02 -0.03 -0.20 -0.91 -1.93 0.00 0.00 178.83 175.74 2fsf h ASN 379 N -0.05 0.00 0.06 -0.69 2.35 -1.69 -1.40 115.58 114.15 2fsf h ASN 379 Ca 0.14 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2fsf h ASN 379 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2fsf h ASN 379 CO -0.32 0.20 -0.03 0.22 -1.65 0.00 0.00 177.43 175.86 2fsf h TYR 380 N 0.00 -0.07 -0.02 1.19 3.20 -0.85 -3.23 116.97 117.19 2fsf h TYR 380 Ca -0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2fsf h TYR 380 Cb 0.88 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2fsf h TYR 380 CO 0.00 0.18 -0.56 0.74 -1.64 0.00 0.00 178.16 176.88 2fsf h PHE 381 N -0.32 0.07 0.00 -3.82 0.04 -0.96 -1.35 116.94 110.60 2fsf h PHE 381 Ca -0.01 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2fsf h PHE 381 Cb 0.28 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2fsf h PHE 381 CO 0.01 0.60 0.00 0.54 -0.60 0.00 0.00 178.31 178.85 2fsf n ARG 382 N -3.88 0.03 0.18 1.51 1.74 -0.55 -2.46 116.66 113.22 2fsf n ARG 382 Ca -0.01 0.52 0.11 0.00 -0.77 0.00 0.00 57.85 57.70 2fsf n ARG 382 Cb 0.57 -1.59 0.11 0.00 -1.02 0.00 0.00 32.46 30.53 2fsf n ARG 382 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2fsf h LEU 383 N 0.00 0.00-10.08 0.55 3.38 -1.25 -3.46 115.31 104.45 2fsf h LEU 383 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2fsf h LEU 383 Cb 0.01 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.83 2fsf h LEU 383 CO 0.00 0.04 0.44 -0.31 0.09 0.00 0.00 178.44 178.70 2fsf s TYR 384 N -3.23 2.68 0.14 1.13 1.51 -1.03 -4.84 117.35 113.70 2fsf s TYR 384 Ca 0.05 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 57.52 2fsf s TYR 384 Cb 0.06 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.59 2fsf s TYR 384 CO 0.71 -1.59 1.54 1.49 -1.11 0.00 0.00 175.55 176.59 2fsf h GLU 385 N 1.27 0.83 -5.09 -0.62 4.81 -1.41 -3.43 114.58 110.93 2fsf h GLU 385 Ca -0.50 -0.32 -0.49 0.00 -0.13 0.00 0.00 59.36 57.92 2fsf h GLU 385 Cb 1.26 -0.05 -0.30 0.00 0.63 0.00 0.00 28.75 30.29 2fsf h GLU 385 CO 0.57 0.94 -0.81 0.15 -0.73 0.00 0.00 179.01 179.13 2fsf s LYS 386 N -4.80 1.29 -0.05 1.92 1.02 0.21 -5.02 119.74 114.31 2fsf s LYS 386 Ca -0.12 -0.48 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 2fsf s LYS 386 Cb 0.11 -1.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.26 2fsf s LYS 386 CO 0.83 0.23 0.11 -1.17 -0.92 0.00 0.00 175.35 174.43 2fsf s LEU 387 N -0.06 1.24 0.14 3.17 2.96 -1.26 -1.82 118.68 123.04 2fsf s LEU 387 Ca 0.00 0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.90 2fsf s LEU 387 Cb -0.08 0.32 0.07 0.00 0.50 0.00 0.00 46.19 47.00 2fsf s LEU 387 CO 0.01 -0.09 0.66 0.00 -1.32 0.00 0.00 176.35 175.61 2fsf s ALA 388 N 0.55 -1.61 0.25 5.97 0.00 -0.56 -3.84 121.76 122.53 2fsf s ALA 388 Ca -0.04 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 2fsf s ALA 388 Cb -0.06 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.91 2fsf s ALA 388 CO -0.02 -0.78 0.83 0.20 0.00 0.00 0.00 175.76 175.99 2fsf s GLY 389 N -2.72 -0.04 0.04 0.00 0.00 -0.99 -0.31 107.32 103.30 2fsf s GLY 389 Ca 0.03 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.57 2fsf s GLY 389 CO -0.10 0.11 -0.22 1.06 0.00 0.00 0.00 173.10 173.95 2fsf s MET 390 N -3.31 1.49 0.23 2.90 -1.94 -0.61 -1.62 119.30 116.44 2fsf s MET 390 Ca 0.13 -0.97 -0.13 0.00 -1.71 0.00 0.00 55.69 53.01 2fsf s MET 390 Cb -0.04 -1.61 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 2fsf s MET 390 CO 0.06 0.41 0.46 -0.08 -0.01 0.00 0.00 175.02 175.86 2fsf s THR 391 N -0.79 0.01 0.69 2.05 -1.32 -1.08 -1.78 115.64 113.43 2fsf s THR 391 Ca 0.08 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.13 2fsf s THR 391 Cb -0.09 -2.07 0.01 0.00 -1.51 0.00 0.00 72.50 68.83 2fsf s THR 391 CO 0.02 -0.06 1.08 -0.83 -2.21 0.00 0.00 174.62 172.62 2fsf s GLY 392 N -2.99 1.64 0.00 6.08 0.00 -1.25 -1.25 107.32 109.55 2fsf s GLY 392 Ca 0.20 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.71 2fsf s GLY 392 CO 0.06 0.12 0.82 2.41 0.00 0.00 0.00 173.10 176.51 2fsf n THR 393 N -3.00 0.87 0.00 0.90 -1.04 -1.26 -1.55 114.28 109.20 2fsf n THR 393 Ca 0.07 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2fsf n THR 393 Cb 0.56 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2fsf n THR 393 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fsf n ALA 394 N -1.23 0.00 -0.33 2.41 0.00 -1.26 -4.64 120.51 115.46 2fsf n ALA 394 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2fsf n ALA 394 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2fsf n ALA 394 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fsf n ASP 395 N 0.00 0.00 0.00 0.00 -0.08 -0.59 -4.75 116.55 111.13 2fsf n ASP 395 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2fsf n ASP 395 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2fsf n ASP 395 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2fsf n THR 396 N 0.00 0.00 -2.44 5.18 -2.24 -1.26 -4.80 114.28 108.72 2fsf n THR 396 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2fsf n THR 396 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2fsf n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fsf n GLU 397 N 0.70 2.77 -0.12 -0.78 1.02 -1.26 -4.82 120.64 118.16 2fsf n GLU 397 Ca 0.00 -4.01 -0.09 0.00 -0.02 0.00 0.00 57.16 53.04 2fsf n GLU 397 Cb 0.00 -1.96 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 2fsf n GLU 397 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsf h ALA 398 N 2.55 0.47 -0.35 0.62 0.00 -1.97 -2.32 119.26 118.26 2fsf h ALA 398 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2fsf h ALA 398 Cb 1.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2fsf h ALA 398 CO 0.65 0.02 0.21 0.27 0.00 0.00 0.00 179.25 180.40 2fsf h PHE 399 N 0.46 0.46 -0.29 0.00 -0.00 -1.95 -2.76 116.94 112.85 2fsf h PHE 399 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.01 2fsf h PHE 399 Cb 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 35.88 2fsf h PHE 399 CO -0.02 0.31 -0.16 0.93 -0.00 0.00 0.00 178.31 179.38 2fsf h GLU 400 N 0.48 0.62 -0.71 6.09 5.08 -1.80 -2.07 114.58 122.27 2fsf h GLU 400 Ca 0.13 -0.28 0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2fsf h GLU 400 Cb -0.01 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2fsf h GLU 400 CO -0.02 0.86 0.38 0.74 -1.00 0.00 0.00 179.01 179.97 2fsf h PHE 401 N 0.37 0.70 -0.00 4.33 0.04 -1.16 0.17 116.94 121.38 2fsf h PHE 401 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2fsf h PHE 401 Cb 0.68 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 2fsf h PHE 401 CO 0.06 0.30 -0.00 1.03 -0.60 0.00 0.00 178.31 179.10 2fsf h SER 402 N 0.68 0.00 0.10 2.17 0.87 -1.26 -2.04 113.55 114.06 2fsf h SER 402 Ca 0.33 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2fsf h SER 402 Cb 0.28 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2fsf h SER 402 CO -0.22 0.39 -0.13 -1.28 -0.53 0.00 0.00 176.83 175.05 2fsf h SER 403 N -0.39 -0.36 0.54 6.23 0.87 -0.97 0.01 113.55 119.49 2fsf h SER 403 Ca 0.00 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2fsf h SER 403 Cb 0.39 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2fsf h SER 403 CO 0.00 -0.20 -0.66 0.40 -0.53 0.00 0.00 176.83 175.84 2fsf h ILE 404 N -0.27 1.44 0.00 2.23 2.04 -0.76 -3.40 117.51 118.78 2fsf h ILE 404 Ca 0.02 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.69 2fsf h ILE 404 Cb 0.28 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2fsf h ILE 404 CO -0.06 0.63 -0.04 -1.22 0.00 0.00 0.00 178.15 177.46 2fsf n TYR 405 N -3.79 0.00 -4.06 1.37 4.01 -0.78 -5.03 117.16 108.87 2fsf n TYR 405 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 2fsf n TYR 405 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2fsf n TYR 405 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2fsf n LYS 406 N -0.28 -4.09 -3.52 -0.72 4.76 -0.01 -4.96 118.16 109.33 2fsf n LYS 406 Ca 0.00 0.47 -0.38 0.00 -2.87 0.00 0.00 58.31 55.53 2fsf n LYS 406 Cb 0.00 -5.17 -0.09 0.00 -1.84 0.00 0.00 35.03 27.93 2fsf n LYS 406 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fsf s LEU 407 N -7.22 4.10 0.49 -0.35 1.43 -1.12 -4.89 118.68 111.11 2fsf s LEU 407 Ca 0.59 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.74 2fsf s LEU 407 Cb -0.31 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 2fsf s LEU 407 CO 0.88 -0.03 1.05 -1.81 0.23 0.00 0.00 176.35 176.67 2fsf s ASP 408 N 1.23 6.28 0.02 2.29 -0.00 -1.10 -2.54 116.67 122.86 2fsf s ASP 408 Ca 0.12 1.98 0.04 0.00 -0.00 0.00 0.00 52.55 54.69 2fsf s ASP 408 Cb -0.15 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.17 2fsf s ASP 408 CO 0.07 -0.82 -0.08 0.28 -0.00 0.00 0.00 175.17 174.62 2fsf s THR 409 N -1.92 3.56 -0.04 -1.27 -1.32 -1.26 0.11 115.64 113.50 2fsf s THR 409 Ca 0.67 -0.89 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 2fsf s THR 409 Cb -0.18 -2.57 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 2fsf s THR 409 CO 0.22 0.34 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.22 2fsf s VAL 410 N -1.04 0.54 -0.39 5.08 1.01 0.12 -4.90 120.40 120.82 2fsf s VAL 410 Ca 0.18 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 2fsf s VAL 410 Cb -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2fsf s VAL 410 CO 0.09 0.22 0.98 -0.69 0.00 0.00 0.00 175.10 175.69 2fsf s VAL 411 N 0.76 4.50 -0.21 2.92 1.01 -1.26 -1.25 120.40 126.88 2fsf s VAL 411 Ca -0.10 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 2fsf s VAL 411 Cb -0.13 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2fsf s VAL 411 CO 0.00 -0.64 0.64 -0.69 0.00 0.00 0.00 175.10 174.41 2fsf s VAL 412 N 3.68 5.01 0.55 2.92 1.01 -0.31 -4.97 120.40 128.29 2fsf s VAL 412 Ca 0.40 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 2fsf s VAL 412 Cb -0.11 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2fsf s VAL 412 CO 0.21 0.09 1.01 -0.81 0.00 0.00 0.00 175.10 175.61 2fsf n PRO 413 N 5.18 1.12 -2.23 2.72 -0.04 -1.26 -4.67 135.00 135.81 2fsf n PRO 413 Ca -0.01 0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 2fsf n PRO 413 Cb 0.49 -2.18 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 2fsf n PRO 413 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2fsf s THR 414 N -1.43 4.23 0.07 0.52 -4.23 -1.26 -4.90 115.64 108.64 2fsf s THR 414 Ca 0.72 1.05 -0.27 0.00 -1.18 0.00 0.00 61.69 62.01 2fsf s THR 414 Cb -0.45 -3.58 -0.17 0.00 1.34 0.00 0.00 72.50 69.64 2fsf s THR 414 CO 0.50 -0.62 1.65 -1.13 -0.54 0.00 0.00 174.62 174.48 2fsf h ASN 415 N 0.68 -0.28 -2.42 3.99 -1.24 -1.96 -3.43 115.58 110.92 2fsf h ASN 415 Ca -0.47 -0.02 -0.51 0.00 0.71 0.00 0.00 56.30 56.01 2fsf h ASN 415 Cb 1.20 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.30 2fsf h ASN 415 CO 0.60 -0.17 -0.46 -0.13 -1.29 0.00 0.00 177.43 175.98 2fsf s ARG 416 N -5.98 3.37 0.43 6.67 1.81 -1.26 -5.06 118.95 118.93 2fsf s ARG 416 Ca -0.15 -0.70 -0.26 0.00 -1.72 0.00 0.00 55.73 52.90 2fsf s ARG 416 Cb 0.05 -2.90 -0.09 0.00 -0.45 0.00 0.00 34.95 31.56 2fsf s ARG 416 CO 0.64 0.48 1.45 -2.30 -0.68 0.00 0.00 175.30 174.89 2fsf n PRO 417 N -0.87 2.36 -2.97 3.54 -0.02 -1.26 -4.66 135.00 131.12 2fsf n PRO 417 Ca -0.08 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 2fsf n PRO 417 Cb 0.55 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2fsf n PRO 417 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2fsf s MET 418 N -2.36 4.27 0.00 -0.52 -1.94 -1.26 -4.18 119.30 113.31 2fsf s MET 418 Ca 0.59 0.88 0.00 0.00 -1.71 0.00 0.00 55.69 55.45 2fsf s MET 418 Cb -0.46 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 32.81 2fsf s MET 418 CO 0.59 -0.30 0.75 0.44 -0.01 0.00 0.00 175.02 176.49 2fsf n ILE 419 N 4.73 0.56 -1.93 2.53 -5.35 -1.26 -5.05 119.36 113.58 2fsf n ILE 419 Ca 0.02 -0.65 -0.41 0.00 -0.27 0.00 0.00 62.75 61.44 2fsf n ILE 419 Cb 0.49 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.16 2fsf n ILE 419 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2fsf s ARG 420 N -0.56 4.21 -0.50 6.28 3.52 -1.26 -4.50 118.95 126.14 2fsf s ARG 420 Ca 0.00 2.41 -0.20 0.00 -0.13 0.00 0.00 55.73 57.81 2fsf s ARG 420 Cb 0.00 -3.06 0.05 0.00 -1.56 0.00 0.00 34.95 30.38 2fsf s ARG 420 CO 0.00 -0.47 0.66 0.15 -0.81 0.00 0.00 175.30 174.83 2fsf s LYS 421 N -0.73 3.16 -0.61 5.12 1.02 -0.12 -4.92 119.74 122.65 2fsf s LYS 421 Ca 0.59 -0.77 -0.21 0.00 0.02 0.00 0.00 55.97 55.60 2fsf s LYS 421 Cb -0.44 -4.08 0.08 0.00 -0.52 0.00 0.00 37.83 32.87 2fsf s LYS 421 CO 0.48 -1.23 0.83 -0.51 -0.92 0.00 0.00 175.35 174.00 2fsf s ASP 422 N 2.64 6.19 0.65 2.83 1.01 -1.26 -1.31 116.67 127.42 2fsf s ASP 422 Ca 0.18 -1.12 -0.10 0.00 0.71 0.00 0.00 52.55 52.21 2fsf s ASP 422 Cb -0.18 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 2fsf s ASP 422 CO 0.13 -1.26 1.04 -0.76 0.21 0.00 0.00 175.17 174.54 2fsf s LEU 423 N 3.40 3.09 0.54 1.23 1.43 -0.53 -4.96 118.68 122.87 2fsf s LEU 423 Ca 0.18 1.19 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 2fsf s LEU 423 Cb -0.20 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 2fsf s LEU 423 CO 0.09 -1.11 1.31 -2.84 0.23 0.00 0.00 176.35 174.03 2fsf s PRO 424 N -5.23 3.20 0.54 1.29 0.02 -1.26 -4.68 135.00 128.87 2fsf s PRO 424 Ca 0.56 2.11 -0.22 0.00 0.02 0.00 0.00 61.00 63.47 2fsf s PRO 424 Cb -0.11 -2.23 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 2fsf s PRO 424 CO 0.52 -1.11 1.32 -0.51 -0.33 0.00 0.00 177.00 176.89 2fsf s ASP 425 N -1.11 5.34 -0.07 2.53 1.11 -1.26 -4.68 116.67 118.53 2fsf s ASP 425 Ca 0.71 2.68 0.04 0.00 0.18 0.00 0.00 52.55 56.17 2fsf s ASP 425 Cb -0.37 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 40.98 2fsf s ASP 425 CO 0.44 -1.51 -0.21 -0.76 1.18 0.00 0.00 175.17 174.30 2fsf s LEU 426 N -3.53 2.29 -0.06 1.23 1.43 -0.61 -4.68 118.68 114.74 2fsf s LEU 426 Ca 0.71 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2fsf s LEU 426 Cb -0.38 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2fsf s LEU 426 CO 0.45 0.24 -0.19 -0.69 0.23 0.00 0.00 176.35 176.39 2fsf s VAL 427 N -0.12 1.62 0.22 -1.59 1.01 -1.26 -1.22 120.40 119.07 2fsf s VAL 427 Ca -0.04 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.25 2fsf s VAL 427 Cb -0.14 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2fsf s VAL 427 CO 0.04 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.09 2fsf s TYR 428 N 0.17 2.16 0.10 5.22 2.02 -0.50 -4.97 117.35 121.56 2fsf s TYR 428 Ca -0.09 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 55.97 2fsf s TYR 428 Cb -0.14 -1.01 -0.10 0.00 -0.40 0.00 0.00 41.96 40.31 2fsf s TYR 428 CO 0.04 0.54 1.67 0.52 -1.57 0.00 0.00 175.55 176.76 2fsf h MET 429 N 2.79 -0.31 -5.87 -0.62 2.86 -1.89 -0.32 114.93 111.57 2fsf h MET 429 Ca -0.42 0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 56.72 2fsf h MET 429 Cb 1.23 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 32.81 2fsf h MET 429 CO 0.54 -0.21 -0.76 0.95 1.06 0.00 0.00 176.91 178.50 2fsf s THR 430 N -6.12 1.99 0.24 2.22 -4.23 -1.26 -2.49 115.64 105.99 2fsf s THR 430 Ca -0.15 -2.20 -0.08 0.00 -1.18 0.00 0.00 61.69 58.08 2fsf s THR 430 Cb 0.07 -2.08 0.30 0.00 1.34 0.00 0.00 72.50 72.14 2fsf s THR 430 CO 0.66 -0.46 1.62 -0.33 -0.54 0.00 0.00 174.62 175.57 2fsf h GLU 431 N 2.66 0.05 -0.84 3.99 4.39 -1.90 -1.10 114.58 121.82 2fsf h GLU 431 Ca -0.40 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 2fsf h GLU 431 Cb 1.23 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 2fsf h GLU 431 CO 0.58 0.03 0.49 0.00 -1.16 0.00 0.00 179.01 178.96 2fsf h ALA 432 N 1.75 1.08 -0.03 3.43 0.00 -1.99 0.22 119.26 123.72 2fsf h ALA 432 Ca 0.40 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 2fsf h ALA 432 Cb 0.69 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2fsf h ALA 432 CO -0.73 0.55 -0.88 0.93 0.00 0.00 0.00 179.25 179.12 2fsf h GLU 433 N 1.16 0.47 0.15 0.00 5.08 -1.84 -2.19 114.58 117.40 2fsf h GLU 433 Ca 0.30 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2fsf h GLU 433 Cb -0.02 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2fsf h GLU 433 CO -0.05 1.10 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.48 2fsf h LYS 434 N 0.28 -0.59 -0.76 2.33 3.64 -0.58 -2.12 116.57 118.77 2fsf h LYS 434 Ca -0.07 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2fsf h LYS 434 Cb 1.51 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 33.38 2fsf h LYS 434 CO 0.16 -0.39 0.37 0.82 -2.27 0.00 0.00 179.45 178.13 2fsf h ILE 435 N -0.61 0.77 -0.71 2.00 1.08 -0.60 -0.61 117.51 118.83 2fsf h ILE 435 Ca 0.02 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 2fsf h ILE 435 Cb 0.63 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 2fsf h ILE 435 CO -0.19 0.11 0.28 1.56 -0.69 0.00 0.00 178.15 179.21 2fsf h GLN 436 N 0.58 1.07 -0.46 2.37 1.08 -1.11 -0.04 115.11 118.59 2fsf h GLN 436 Ca 0.40 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2fsf h GLN 436 Cb 0.51 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2fsf h GLN 436 CO -0.33 0.88 0.21 0.00 -0.95 0.00 0.00 178.83 178.65 2fsf h ALA 437 N 1.13 0.59 0.31 3.87 0.00 -1.03 0.13 119.26 124.27 2fsf h ALA 437 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2fsf h ALA 437 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2fsf h ALA 437 CO -0.02 0.17 -0.30 0.82 0.00 0.00 0.00 179.25 179.92 2fsf h ILE 438 N 0.60 0.37 -0.61 0.00 2.04 -0.68 -0.43 117.51 118.79 2fsf h ILE 438 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.14 2fsf h ILE 438 Cb 0.14 0.37 -0.10 0.00 -0.74 0.00 0.00 36.82 36.49 2fsf h ILE 438 CO -0.02 0.00 0.06 0.40 0.00 0.00 0.00 178.15 178.59 2fsf h ILE 439 N -0.64 0.55 -0.45 -0.67 1.08 -1.03 -0.21 117.51 116.13 2fsf h ILE 439 Ca -0.02 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2fsf h ILE 439 Cb 0.58 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2fsf h ILE 439 CO -0.05 0.03 0.21 -0.33 -0.69 0.00 0.00 178.15 177.32 2fsf h GLU 440 N 0.18 0.63 0.05 2.37 4.39 -0.37 -1.26 114.58 120.57 2fsf h GLU 440 Ca 0.32 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2fsf h GLU 440 Cb 0.51 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2fsf h GLU 440 CO -0.48 0.50 -0.03 0.22 -1.16 0.00 0.00 179.01 178.07 2fsf h ASP 441 N 0.64 -0.06 -0.56 1.42 3.58 0.55 -2.62 116.42 119.36 2fsf h ASP 441 Ca 0.16 -0.23 0.11 0.00 0.42 0.00 0.00 57.03 57.49 2fsf h ASP 441 Cb 0.08 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.06 2fsf h ASP 441 CO -0.02 0.20 0.06 0.40 -2.88 0.00 0.00 179.24 177.00 2fsf h ILE 442 N -0.33 0.61 -0.77 2.25 2.04 -1.03 -1.95 117.51 118.34 2fsf h ILE 442 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2fsf h ILE 442 Cb 0.29 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2fsf h ILE 442 CO 0.01 0.03 0.49 0.50 0.00 0.00 0.00 178.15 179.19 2fsf h LYS 443 N 0.18 1.03 -0.29 2.37 3.64 -1.15 -0.09 116.57 122.26 2fsf h LYS 443 Ca 0.29 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2fsf h LYS 443 Cb 0.44 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2fsf h LYS 443 CO -0.42 0.70 -0.36 0.93 -2.27 0.00 0.00 179.45 178.03 2fsf h GLU 444 N 1.05 0.76 -0.05 1.90 5.08 -1.04 -2.95 114.58 119.33 2fsf h GLU 444 Ca 0.28 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2fsf h GLU 444 Cb -0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2fsf h GLU 444 CO -0.06 1.05 -0.12 0.00 -1.00 0.00 0.00 179.01 178.88 2fsf h ARG 445 N 0.51 0.16 -0.75 2.33 3.08 -1.22 -3.15 114.38 115.34 2fsf h ARG 445 Ca 0.04 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 60.10 2fsf h ARG 445 Cb 0.94 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.96 2fsf h ARG 445 CO 0.09 0.72 0.50 1.79 -1.07 0.00 0.00 179.97 181.99 2fsf h THR 446 N -0.36 0.85 0.00 2.04 1.35 -1.08 -1.69 112.91 114.02 2fsf h THR 446 Ca -0.00 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 2fsf h THR 446 Cb 0.72 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2fsf h THR 446 CO 0.03 0.09 -0.09 0.00 -0.25 0.00 0.00 175.52 175.30 2fsf h ALA 447 N 1.64 1.30 -0.01 6.62 0.00 -1.55 -1.12 119.26 126.14 2fsf h ALA 447 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2fsf h ALA 447 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2fsf h ALA 447 CO -0.13 0.11 -0.20 1.63 0.00 0.00 0.00 179.25 180.66 2fsf n LYS 448 N -3.63 0.86 -0.64 0.00 5.02 -0.71 -4.95 118.16 114.11 2fsf n LYS 448 Ca -0.02 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2fsf n LYS 448 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2fsf n LYS 448 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsf n GLY 449 N 1.31 0.64 3.73 0.72 0.00 -0.42 -4.76 105.19 106.41 2fsf n GLY 449 Ca 0.13 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2fsf n GLY 449 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fsf s GLN 450 N -0.78 4.44 0.48 1.61 0.74 -0.77 -1.90 119.66 123.47 2fsf s GLN 450 Ca 0.00 0.91 -0.12 0.00 0.05 0.00 0.00 55.36 56.19 2fsf s GLN 450 Cb 0.00 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 2fsf s GLN 450 CO 0.00 0.13 0.89 -1.25 -0.55 0.00 0.00 175.29 174.51 2fsf s PRO 451 N 0.56 3.80 -0.02 1.67 0.04 -1.26 -3.65 135.00 136.14 2fsf s PRO 451 Ca 0.37 0.67 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2fsf s PRO 451 Cb -0.18 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2fsf s PRO 451 CO 0.19 -0.21 -0.09 0.08 0.04 0.00 0.00 177.00 177.01 2fsf s VAL 452 N -2.61 0.76 -0.19 -0.36 1.01 0.57 -1.54 120.40 118.04 2fsf s VAL 452 Ca 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2fsf s VAL 452 Cb -0.10 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2fsf s VAL 452 CO 0.35 0.23 -0.14 -0.22 0.00 0.00 0.00 175.10 175.33 2fsf s LEU 453 N 0.08 2.43 -0.22 3.92 2.96 -0.10 -1.83 118.68 125.92 2fsf s LEU 453 Ca -0.01 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 2fsf s LEU 453 Cb -0.07 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2fsf s LEU 453 CO 0.00 0.00 0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 2fsf s VAL 454 N 1.29 4.30 -0.16 1.68 1.01 0.11 -0.71 120.40 127.93 2fsf s VAL 454 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 2fsf s VAL 454 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2fsf s VAL 454 CO -0.08 0.39 0.08 -0.83 0.00 0.00 0.00 175.10 174.66 2fsf s GLY 455 N 1.21 1.97 0.30 4.51 0.00 -0.03 0.21 107.32 115.49 2fsf s GLY 455 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2fsf s GLY 455 CO 0.03 -0.09 -0.01 -0.51 0.00 0.00 0.00 173.10 172.52 2fsf s THR 456 N -0.06 1.48 -1.15 0.90 -4.23 -0.07 -1.56 115.64 110.96 2fsf s THR 456 Ca 0.07 -2.06 0.24 0.00 -1.18 0.00 0.00 61.69 58.76 2fsf s THR 456 Cb -0.12 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 2fsf s THR 456 CO 0.01 -0.17 1.22 2.30 -0.54 0.00 0.00 174.62 177.44 2fsf n ILE 457 N -0.64 0.00 -3.75 2.99 -0.00 -1.26 -0.81 119.36 115.89 2fsf n ILE 457 Ca -0.04 -0.03 -0.10 0.00 -0.00 0.00 0.00 62.75 62.58 2fsf n ILE 457 Cb 0.65 0.60 -0.04 0.00 -0.00 0.00 0.00 39.64 40.85 2fsf n ILE 457 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2fsf s SER 458 N -2.91 -0.22 0.18 7.28 1.04 -1.26 -4.52 113.70 113.28 2fsf s SER 458 Ca 0.12 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 2fsf s SER 458 Cb 0.17 0.54 0.15 0.00 0.10 0.00 0.00 66.02 66.99 2fsf s SER 458 CO 0.73 -1.00 1.73 0.40 0.98 0.00 0.00 173.24 176.08 2fsf h ILE 459 N 2.27 0.78 -0.94 -1.02 2.04 -1.96 0.63 117.51 119.31 2fsf h ILE 459 Ca -0.30 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.52 2fsf h ILE 459 Cb 1.26 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 2fsf h ILE 459 CO 0.40 0.05 0.61 -0.33 0.00 0.00 0.00 178.15 178.87 2fsf h GLU 460 N 0.26 1.11 -0.25 2.37 3.07 -1.99 0.39 114.58 119.54 2fsf h GLU 460 Ca 0.22 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.86 2fsf h GLU 460 Cb 0.27 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2fsf h GLU 460 CO -0.27 0.73 -0.44 0.87 -1.40 0.00 0.00 179.01 178.50 2fsf h LYS 461 N 1.14 0.75 -0.71 2.33 1.79 -1.44 -1.77 116.57 118.66 2fsf h LYS 461 Ca 0.39 -0.46 0.07 0.00 -2.18 0.00 0.00 60.65 58.47 2fsf h LYS 461 Cb 0.07 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 2fsf h LYS 461 CO -0.14 1.09 0.38 0.77 -1.08 0.00 0.00 179.45 180.47 2fsf h SER 462 N 0.48 0.55 -0.60 0.86 0.02 0.67 -2.35 113.55 113.18 2fsf h SER 462 Ca 0.02 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2fsf h SER 462 Cb 1.04 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2fsf h SER 462 CO 0.10 0.34 0.31 -0.33 -1.14 0.00 0.00 176.83 176.11 2fsf h GLU 463 N 0.68 0.88 -0.08 3.45 5.08 -0.06 -2.20 114.58 122.34 2fsf h GLU 463 Ca 0.33 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2fsf h GLU 463 Cb 0.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2fsf h GLU 463 CO -0.22 0.68 -0.17 1.25 -1.00 0.00 0.00 179.01 179.55 2fsf h LEU 464 N 0.88 0.29 -0.38 1.33 5.85 -0.88 -0.35 115.31 122.05 2fsf h LEU 464 Ca 0.22 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 2fsf h LEU 464 Cb 0.08 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2fsf h LEU 464 CO -0.03 0.81 -0.03 1.62 -0.34 0.00 0.00 178.44 180.47 2fsf h VAL 465 N -0.22 1.27 -0.56 1.05 3.04 -1.34 -2.16 116.25 117.32 2fsf h VAL 465 Ca 0.00 -1.05 0.06 0.00 -1.01 0.00 0.00 66.70 64.70 2fsf h VAL 465 Cb 0.77 1.20 -0.09 0.00 -2.01 0.00 0.00 31.29 31.16 2fsf h VAL 465 CO 0.04 0.35 -0.51 -1.28 -1.01 0.00 0.00 177.57 175.16 2fsf h SER 466 N 0.49 -1.76 -0.85 3.17 0.87 -1.41 0.10 113.55 114.16 2fsf h SER 466 Ca 0.10 0.25 0.14 0.00 -1.23 0.00 0.00 61.79 61.05 2fsf h SER 466 Cb 0.51 0.75 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 2fsf h SER 466 CO 0.02 -0.30 0.56 0.78 -0.53 0.00 0.00 176.83 177.36 2fsf h ASN 467 N -0.22 0.61 0.66 6.23 4.21 -1.09 0.15 115.58 126.13 2fsf h ASN 467 Ca 0.09 0.03 -0.17 0.00 1.21 0.00 0.00 56.30 57.47 2fsf h ASN 467 Cb 0.47 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 2fsf h ASN 467 CO -0.65 0.32 -0.77 -0.33 -1.29 0.00 0.00 177.43 174.72 2fsf h GLU 468 N 0.65 0.08 -0.57 0.81 4.39 -0.65 -1.71 114.58 117.59 2fsf h GLU 468 Ca 0.42 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.94 2fsf h GLU 468 Cb 0.70 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2fsf h GLU 468 CO -0.18 0.81 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.36 2fsf h LEU 469 N 0.05 1.01 -0.27 1.33 3.38 0.82 -2.38 115.31 119.25 2fsf h LEU 469 Ca -0.02 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2fsf h LEU 469 Cb 1.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2fsf h LEU 469 CO 0.11 1.08 0.01 0.74 0.09 0.00 0.00 178.44 180.47 2fsf h THR 470 N 0.93 1.25 -0.78 0.22 2.02 -0.62 -0.05 112.91 115.88 2fsf h THR 470 Ca 0.16 -0.90 0.19 0.00 0.77 0.00 0.00 66.41 66.63 2fsf h THR 470 Cb 0.59 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 2fsf h THR 470 CO 0.04 0.28 0.54 0.50 0.37 0.00 0.00 175.52 177.25 2fsf h LYS 471 N 0.26 0.24 -0.01 6.66 3.64 -1.27 0.54 116.57 126.63 2fsf h LYS 471 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2fsf h LYS 471 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2fsf h LYS 471 CO 0.01 0.16 -0.24 0.00 -2.27 0.00 0.00 179.45 177.11 2fsf n ALA 472 N -2.58 3.04 -0.87 5.00 0.00 -0.55 -4.96 120.51 119.59 2fsf n ALA 472 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2fsf n ALA 472 Cb 0.68 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2fsf n ALA 472 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsf n GLY 473 N 1.33 0.58 3.47 0.00 0.00 0.18 -5.01 105.19 105.75 2fsf n GLY 473 Ca 0.13 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 2fsf n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fsf s ILE 474 N -2.00 4.92 0.43 -0.61 1.01 -0.53 -5.00 121.20 119.42 2fsf s ILE 474 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2fsf s ILE 474 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 2fsf s ILE 474 CO 0.00 -0.01 1.21 -0.54 0.00 0.00 0.00 174.94 175.59 2fsf s LYS 475 N 1.66 3.86 0.21 2.79 1.02 -1.26 -4.25 119.74 123.77 2fsf s LYS 475 Ca 0.05 1.90 -0.23 0.00 0.02 0.00 0.00 55.97 57.71 2fsf s LYS 475 Cb -0.17 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2fsf s LYS 475 CO 0.08 -0.50 0.90 -3.38 -0.92 0.00 0.00 175.35 171.53 2fsf s HIS 476 N -1.43 -0.08 -0.04 3.18 -3.43 -1.26 -4.28 115.29 107.94 2fsf s HIS 476 Ca 0.61 -0.31 0.04 0.00 -0.80 0.00 0.00 55.06 54.59 2fsf s HIS 476 Cb -0.32 0.69 -0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2fsf s HIS 476 CO 0.40 -1.02 -0.15 -0.80 -2.00 0.00 0.00 174.74 171.16 2fsf s ASN 477 N -3.02 1.98 -0.03 7.38 -0.87 0.11 -5.01 114.94 115.49 2fsf s ASN 477 Ca 0.14 -0.32 -0.20 0.00 -1.57 0.00 0.00 52.86 50.90 2fsf s ASN 477 Cb -0.03 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.25 40.56 2fsf s ASN 477 CO 0.05 0.13 0.57 -0.69 -2.57 0.00 0.00 177.10 174.58 2fsf s VAL 478 N 0.13 4.97 -0.60 1.60 1.01 -1.26 -0.21 120.40 126.03 2fsf s VAL 478 Ca -0.05 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2fsf s VAL 478 Cb -0.12 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2fsf s VAL 478 CO 0.02 0.40 1.19 -0.76 0.00 0.00 0.00 175.10 175.95 2fsf s LEU 479 N -0.06 3.45 -0.36 3.92 1.43 0.03 -4.91 118.68 122.18 2fsf s LEU 479 Ca 0.30 -0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 2fsf s LEU 479 Cb -0.18 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2fsf s LEU 479 CO 0.16 -1.52 0.60 0.21 0.23 0.00 0.00 176.35 176.02 2fsf s ASN 480 N 3.08 6.38 0.41 2.29 3.84 -1.26 -4.54 114.94 125.14 2fsf s ASN 480 Ca 0.41 0.04 0.28 0.00 0.21 0.00 0.00 52.86 53.79 2fsf s ASN 480 Cb -0.08 -2.31 1.46 0.00 -0.55 0.00 0.00 41.25 39.78 2fsf s ASN 480 CO 0.23 -0.58 1.86 0.00 -2.79 0.00 0.00 177.10 175.83 2fsf h ALA 481 N 8.50 1.00 0.00 1.71 0.00 -1.99 0.86 119.26 129.34 2fsf h ALA 481 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2fsf h ALA 481 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2fsf h ALA 481 CO 0.82 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.94 2fsf h LYS 482 N 0.00 0.00 -2.86 0.00 1.57 -2.03 -3.40 116.57 109.85 2fsf h LYS 482 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2fsf h LYS 482 Cb 0.09 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.00 2fsf h LYS 482 CO 0.00 0.00 -0.75 -0.06 -0.57 0.00 0.00 179.45 178.07 2fsf s PHE 483 N -3.43 2.27 0.24 -1.35 0.08 0.29 -4.98 117.98 111.11 2fsf s PHE 483 Ca 0.04 -2.70 0.00 0.00 0.12 0.00 0.00 56.93 54.39 2fsf s PHE 483 Cb 0.09 -1.91 0.27 0.00 -0.57 0.00 0.00 43.02 40.90 2fsf s PHE 483 CO 0.54 -0.72 1.63 0.45 -0.10 0.00 0.00 175.22 177.02 2fsf h HIS 484 N 6.03 0.61 -0.25 0.36 3.86 -1.79 -1.39 115.15 122.58 2fsf h HIS 484 Ca 0.11 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 2fsf h HIS 484 Cb 0.87 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 2fsf h HIS 484 CO 0.49 0.82 -0.24 0.00 0.86 0.00 0.00 177.93 179.86 2fsf h ALA 485 N 1.16 0.36 -0.75 2.45 0.00 -1.95 -2.18 119.26 118.35 2fsf h ALA 485 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2fsf h ALA 485 Cb 0.85 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2fsf h ALA 485 CO 0.07 0.33 0.48 -0.91 0.00 0.00 0.00 179.25 179.22 2fsf h ASN 486 N 0.30 0.88 -0.08 0.00 2.35 -1.90 -2.24 115.58 114.90 2fsf h ASN 486 Ca 0.04 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2fsf h ASN 486 Cb 0.79 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2fsf h ASN 486 CO 0.06 0.65 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.15 2fsf h GLU 487 N 1.02 0.01 -0.26 0.81 5.08 -1.11 -0.46 114.58 119.67 2fsf h GLU 487 Ca 0.27 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2fsf h GLU 487 Cb -0.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2fsf h GLU 487 CO -0.06 0.01 -0.08 0.00 -1.00 0.00 0.00 179.01 177.88 2fsf h ALA 488 N 1.08 1.37 -0.88 3.43 0.00 -1.27 -1.30 119.26 121.70 2fsf h ALA 488 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2fsf h ALA 488 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2fsf h ALA 488 CO -0.08 0.43 0.52 0.00 0.00 0.00 0.00 179.25 180.13 2fsf h ALA 489 N 1.52 1.12 -0.04 0.00 0.00 -1.01 -2.42 119.26 118.43 2fsf h ALA 489 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2fsf h ALA 489 Cb 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2fsf h ALA 489 CO 0.02 0.58 -0.10 0.82 0.00 0.00 0.00 179.25 180.57 2fsf h ILE 490 N 1.21 1.44 -0.70 0.00 2.04 -0.66 -3.20 117.51 117.64 2fsf h ILE 490 Ca 0.31 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.74 2fsf h ILE 490 Cb -0.04 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2fsf h ILE 490 CO -0.06 0.40 0.46 0.58 0.00 0.00 0.00 178.15 179.53 2fsf h VAL 491 N -0.40 1.11 -0.81 1.67 2.07 -1.28 -1.60 116.25 117.02 2fsf h VAL 491 Ca -0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2fsf h VAL 491 Cb 0.70 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2fsf h VAL 491 CO 0.02 0.16 0.52 0.00 0.02 0.00 0.00 177.57 178.29 2fsf h ALA 492 N 1.59 1.05 -0.40 1.67 0.00 -1.43 -2.97 119.26 118.78 2fsf h ALA 492 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2fsf h ALA 492 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2fsf h ALA 492 CO -0.08 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.57 2fsf n GLN 493 N -4.57 3.66 0.30 0.00 1.13 -0.84 -3.03 117.38 114.02 2fsf n GLN 493 Ca 0.09 -2.93 0.19 0.00 -1.94 0.00 0.00 57.00 52.42 2fsf n GLN 493 Cb 0.07 -1.97 1.01 0.00 0.11 0.00 0.00 30.24 29.46 2fsf n GLN 493 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fsf h ALA 494 N 2.71 1.35 -0.25 -1.58 0.00 -1.14 -2.10 119.26 118.25 2fsf h ALA 494 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fsf h ALA 494 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2fsf h ALA 494 CO 0.31 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2fsf n GLY 495 N -1.23 1.33 3.77 0.00 0.00 -1.25 -4.60 105.19 103.22 2fsf n GLY 495 Ca -0.02 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2fsf n GLY 495 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fsf s TYR 496 N -1.69 2.91 -0.12 1.61 6.14 -0.79 -0.07 117.35 125.35 2fsf s TYR 496 Ca 0.35 1.51 -0.41 0.00 0.64 0.00 0.00 57.07 59.16 2fsf s TYR 496 Cb 0.22 -3.47 -0.19 0.00 0.42 0.00 0.00 41.96 38.93 2fsf s TYR 496 CO 0.31 -1.64 1.31 -2.30 0.64 0.00 0.00 175.55 173.87 2fsf n PRO 497 N -0.15 0.35 -1.11 4.97 -0.02 -1.26 -2.05 135.00 135.72 2fsf n PRO 497 Ca 0.05 0.13 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2fsf n PRO 497 Cb 0.46 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2fsf n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsf n ALA 498 N 2.63 -0.07 -1.77 3.55 0.00 -0.80 -4.87 120.51 119.18 2fsf n ALA 498 Ca 0.23 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 2fsf n ALA 498 Cb 0.08 -1.59 0.01 0.00 0.00 0.00 0.00 19.45 17.95 2fsf n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsf s ALA 499 N -1.37 3.27 -0.08 0.00 0.00 -0.87 -4.85 121.76 117.86 2fsf s ALA 499 Ca 0.00 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 2fsf s ALA 499 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2fsf s ALA 499 CO 0.00 -1.06 -0.01 0.08 0.00 0.00 0.00 175.76 174.77 2fsf s VAL 500 N -1.21 0.51 -0.11 0.00 1.01 -1.26 -0.32 120.40 119.02 2fsf s VAL 500 Ca 0.59 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2fsf s VAL 500 Cb -0.42 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2fsf s VAL 500 CO 0.54 0.28 -0.22 -0.89 0.00 0.00 0.00 175.10 174.81 2fsf s THR 501 N 1.92 1.97 -0.21 3.92 2.01 -0.76 -0.71 115.64 123.78 2fsf s THR 501 Ca 0.05 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 2fsf s THR 501 Cb -0.12 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2fsf s THR 501 CO -0.06 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 173.82 2fsf s ILE 502 N 0.50 4.32 0.07 1.82 -1.09 0.70 0.08 121.20 127.61 2fsf s ILE 502 Ca -0.15 -0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.18 2fsf s ILE 502 Cb -0.17 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2fsf s ILE 502 CO 0.06 0.40 -0.26 0.00 -1.23 0.00 0.00 174.94 173.91 2fsf s ALA 503 N 1.04 2.21 -0.20 9.38 0.00 0.13 -0.79 121.76 133.53 2fsf s ALA 503 Ca 0.03 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 2fsf s ALA 503 Cb -0.14 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2fsf s ALA 503 CO 0.03 0.51 0.02 0.99 0.00 0.00 0.00 175.76 177.31 2fsf s THR 504 N -0.90 4.17 -1.07 0.00 2.01 -1.26 -0.89 115.64 117.69 2fsf s THR 504 Ca 0.12 -0.24 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 2fsf s THR 504 Cb -0.10 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2fsf s THR 504 CO 0.03 0.42 0.48 0.59 -0.69 0.00 0.00 174.62 175.46 2fsf n ASN 505 N 4.15 -2.74 -4.65 3.53 3.02 0.01 -4.65 115.26 113.93 2fsf n ASN 505 Ca -0.17 -1.10 -0.60 0.00 -0.03 0.00 0.00 54.58 52.67 2fsf n ASN 505 Cb 0.52 -1.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.28 2fsf n ASN 505 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsf n MET 506 N -4.38 0.48 0.00 3.52 2.81 -1.26 -4.91 117.12 113.38 2fsf n MET 506 Ca -0.12 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2fsf n MET 506 Cb 0.49 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2fsf n MET 506 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsf n ALA 507 N 3.43 0.00 -3.51 3.04 0.00 -1.26 -4.85 120.51 117.36 2fsf n ALA 507 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2fsf n ALA 507 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 2fsf n ALA 507 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fsf s GLY 508 N 0.00 -0.38 0.00 0.00 0.00 -1.26 -4.83 107.32 100.84 2fsf s GLY 508 Ca 0.00 2.79 0.00 0.00 0.00 0.00 0.00 44.72 47.51 2fsf s GLY 508 CO 0.00 3.11 0.00 -0.96 0.00 0.00 0.00 173.10 175.25 2fsf n ARG 509 N 5.03 0.00 -1.54 2.90 1.85 -1.26 -4.97 116.66 118.68 2fsf n ARG 509 Ca -0.11 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.79 2fsf n ARG 509 Cb 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.90 2fsf n ARG 509 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fsf n GLY 510 N 0.00 -3.68 3.54 2.89 0.00 -1.26 -4.76 105.19 101.92 2fsf n GLY 510 Ca 0.00 -0.84 -0.60 0.00 0.00 0.00 0.00 46.02 44.58 2fsf n GLY 510 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fsf n THR 511 N -3.08 0.11 -0.96 2.61 -1.04 -1.26 -4.94 114.28 105.71 2fsf n THR 511 Ca -0.03 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 2fsf n THR 511 Cb 0.52 -0.87 -0.05 0.00 -1.82 0.00 0.00 70.33 68.11 2fsf n THR 511 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2fsf n ASP 512 N 6.38 0.01 -4.49 8.00 9.92 -1.26 -4.95 116.55 130.17 2fsf n ASP 512 Ca 0.39 0.74 -0.39 0.00 -0.53 0.00 0.00 54.79 55.00 2fsf n ASP 512 Cb 0.04 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 2fsf n ASP 512 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2fsf s ILE 513 N 0.05 4.86 -0.17 0.53 1.01 -1.26 -4.95 121.20 121.27 2fsf s ILE 513 Ca 0.58 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 2fsf s ILE 513 Cb -0.81 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2fsf s ILE 513 CO 0.37 0.10 0.79 -0.69 0.00 0.00 0.00 174.94 175.51 2fsf s VAL 514 N 1.66 4.91 0.32 2.92 1.01 -1.26 -4.89 120.40 125.07 2fsf s VAL 514 Ca 0.05 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.29 2fsf s VAL 514 Cb -0.17 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 2fsf s VAL 514 CO 0.08 0.04 1.27 -0.76 0.00 0.00 0.00 175.10 175.73 2fsf s LEU 515 N 2.11 4.45 0.00 3.92 1.43 -1.26 -1.88 118.68 127.45 2fsf s LEU 515 Ca 0.36 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 2fsf s LEU 515 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2fsf s LEU 515 CO 0.12 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.85 2fsf n GLY 516 N 0.93 1.61 0.00 -3.19 0.00 0.90 -4.44 105.19 101.01 2fsf n GLY 516 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fsf n GLY 516 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsf n GLY 517 N -2.00 2.39 3.60 -0.02 0.00 -0.79 -4.53 105.19 103.85 2fsf n GLY 517 Ca 0.00 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2fsf n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fsf s SER 518 N 0.00 6.50 0.44 1.61 1.04 -1.17 -4.70 113.70 117.42 2fsf s SER 518 Ca 0.00 0.48 0.21 0.00 0.48 0.00 0.00 55.95 57.12 2fsf s SER 518 Cb 0.00 -2.32 1.01 0.00 0.10 0.00 0.00 66.02 64.81 2fsf s SER 518 CO 0.00 -0.44 1.89 4.11 0.98 0.00 0.00 173.24 179.79 2fsf h TRP 519 N 8.12 0.00 -0.16 5.02 5.08 -1.93 -3.25 115.95 128.83 2fsf h TRP 519 Ca -0.27 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.69 2fsf h TRP 519 Cb 1.12 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 2fsf h TRP 519 CO 0.75 0.25 0.06 1.96 -1.28 0.00 0.00 178.44 180.19 2fsf h GLN 520 N 0.00 0.24 -0.89 0.12 4.20 -1.99 -1.85 115.11 114.94 2fsf h GLN 520 Ca -0.00 -0.05 0.21 0.00 0.06 0.00 0.00 58.65 58.87 2fsf h GLN 520 Cb 0.61 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 2fsf h GLN 520 CO 0.03 0.34 0.59 0.00 -0.67 0.00 0.00 178.83 179.13 2fsf h ALA 521 N 0.88 2.28 0.01 3.87 0.00 -1.98 -0.22 119.26 124.12 2fsf h ALA 521 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fsf h ALA 521 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fsf h ALA 521 CO -0.00 -0.56 -0.00 0.93 0.00 0.00 0.00 179.25 179.61 2fsf h GLU 522 N 0.35 -0.01 -0.08 0.00 5.08 -1.40 -1.66 114.58 116.85 2fsf h GLU 522 Ca 0.46 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.68 2fsf h GLU 522 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 2fsf h GLU 522 CO -0.15 0.20 -0.48 -0.39 -1.00 0.00 0.00 179.01 177.20 2fsf h VAL 523 N -0.23 1.39 -0.81 3.13 -1.51 -0.89 -2.94 116.25 114.39 2fsf h VAL 523 Ca -0.00 -1.84 0.24 0.00 -1.23 0.00 0.00 66.70 63.87 2fsf h VAL 523 Cb 0.22 2.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2fsf h VAL 523 CO 0.00 0.54 0.85 0.00 -1.23 0.00 0.00 177.57 177.73 2fsf h ALA 524 N 0.44 2.64 0.00 5.19 0.00 -1.02 0.80 119.26 127.31 2fsf h ALA 524 Ca -0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2fsf h ALA 524 Cb 1.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2fsf h ALA 524 CO 0.10 -1.27 -0.56 0.00 0.00 0.00 0.00 179.25 177.53 2fsf h ALA 525 N 1.07 0.68 -2.85 0.00 0.00 -1.13 -3.47 119.26 113.57 2fsf h ALA 525 Ca 0.39 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 2fsf h ALA 525 Cb 2.08 -0.05 0.13 0.00 0.00 0.00 0.00 17.79 19.94 2fsf h ALA 525 CO -0.00 0.62 0.53 1.28 0.00 0.00 0.00 179.25 181.68 2fsf n LEU 526 N -3.19 4.58 0.09 0.00 4.77 0.28 -4.92 117.00 118.60 2fsf n LEU 526 Ca 0.01 1.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.90 2fsf n LEU 526 Cb 0.73 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.20 2fsf n LEU 526 CO 0.40 -0.62 0.05 -0.33 -1.33 0.00 0.00 177.39 175.57 2fsf h GLU 527 N 1.86 0.35 -1.29 3.23 4.39 -1.90 -3.39 114.58 117.83 2fsf h GLU 527 Ca -0.49 -0.48 -0.39 0.00 0.34 0.00 0.00 59.36 58.33 2fsf h GLU 527 Cb 1.30 0.16 -0.38 0.00 -0.10 0.00 0.00 28.75 29.73 2fsf h GLU 527 CO 0.59 1.18 -1.12 -1.71 -1.16 0.00 0.00 179.01 176.78 2fsf n ASN 528 N -3.65 0.86 -4.71 1.42 5.15 -1.26 -5.11 115.26 107.96 2fsf n ASN 528 Ca -0.08 -2.85 -0.57 0.00 -0.60 0.00 0.00 54.58 50.47 2fsf n ASN 528 Cb 0.94 -0.38 -0.07 0.00 -0.53 0.00 0.00 39.78 39.74 2fsf n ASN 528 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2fsf n PRO 529 N 0.06 1.17 -0.40 1.20 -0.04 -1.26 -4.95 135.00 130.78 2fsf n PRO 529 Ca 0.14 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.97 2fsf n PRO 529 Cb 0.75 -2.12 0.05 0.00 -0.04 0.00 0.00 33.50 32.14 2fsf n PRO 529 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2fsf n THR 530 N 4.68 0.00 -0.04 0.52 -2.24 -1.26 -5.02 114.28 110.91 2fsf n THR 530 Ca 0.27 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 2fsf n THR 530 Cb 0.13 -1.73 -0.14 0.00 -2.10 0.00 0.00 70.33 66.49 2fsf n THR 530 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fsf n ALA 531 N -3.24 1.31 0.63 6.98 0.00 -1.26 -4.15 120.51 120.79 2fsf n ALA 531 Ca -0.05 -0.86 0.12 0.00 0.00 0.00 0.00 53.44 52.65 2fsf n ALA 531 Cb 0.13 -0.58 0.19 0.00 0.00 0.00 0.00 19.45 19.19 2fsf n ALA 531 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2fsf n GLU 532 N -3.15 0.25 -0.24 0.00 4.07 -1.26 -2.27 120.64 118.04 2fsf n GLU 532 Ca -0.28 0.07 -0.06 0.00 -0.06 0.00 0.00 57.16 56.83 2fsf n GLU 532 Cb 1.06 -1.66 0.04 0.00 -0.06 0.00 0.00 31.44 30.83 2fsf n GLU 532 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2fsf h GLN 533 N 0.00 0.97 0.00 5.31 4.20 -1.97 -3.18 115.11 120.43 2fsf h GLN 533 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2fsf h GLN 533 Cb 0.71 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2fsf h GLN 533 CO 0.00 0.76 0.00 -0.89 -0.67 0.00 0.00 178.83 178.03 2fsf n ILE 534 N -4.46 0.02 -0.13 2.54 5.41 -0.96 -2.77 119.36 119.00 2fsf n ILE 534 Ca 0.05 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.63 2fsf n ILE 534 Cb 0.13 -0.66 -0.12 0.00 -0.71 0.00 0.00 39.64 38.28 2fsf n ILE 534 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fsf n GLU 535 N -1.01 0.65 0.06 0.38 -0.58 -1.09 -3.51 120.64 115.53 2fsf n GLU 535 Ca 0.16 0.15 0.07 0.00 -0.42 0.00 0.00 57.16 57.12 2fsf n GLU 535 Cb 0.08 -1.52 0.50 0.00 -0.57 0.00 0.00 31.44 29.93 2fsf n GLU 535 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2fsf h LYS 536 N 0.00 0.36 -0.17 3.49 1.63 -1.59 -1.65 116.57 118.64 2fsf h LYS 536 Ca -0.58 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.09 2fsf h LYS 536 Cb 1.91 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.46 2fsf h LYS 536 CO -0.08 0.24 -0.33 0.82 -3.45 0.00 0.00 179.45 176.64 2fsf h ILE 537 N 0.37 1.35 -0.24 2.00 2.04 -1.69 -1.25 117.51 120.09 2fsf h ILE 537 Ca 0.13 -1.58 -0.08 0.00 1.00 0.00 0.00 64.86 64.34 2fsf h ILE 537 Cb 0.07 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2fsf h ILE 537 CO -0.03 0.48 -0.18 0.11 0.00 0.00 0.00 178.15 178.53 2fsf h LYS 538 N 0.16 0.42 0.02 2.37 1.79 -1.55 -1.44 116.57 118.34 2fsf h LYS 538 Ca 0.01 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2fsf h LYS 538 Cb 0.93 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2fsf h LYS 538 CO 0.07 0.59 -0.01 0.00 -1.08 0.00 0.00 179.45 179.02 2fsf h ALA 539 N 1.44 -0.03 -0.84 3.86 0.00 -1.12 -0.08 119.26 122.48 2fsf h ALA 539 Ca 0.07 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 54.83 2fsf h ALA 539 Cb 0.54 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 2fsf h ALA 539 CO 0.03 -0.16 0.32 -0.44 0.00 0.00 0.00 179.25 179.01 2fsf h ASP 540 N -0.75 0.24 -0.05 0.00 5.19 -1.34 -3.01 116.42 116.71 2fsf h ASP 540 Ca -0.00 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2fsf h ASP 540 Cb 0.68 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 2fsf h ASP 540 CO 0.01 0.01 -0.01 -0.25 -3.12 0.00 0.00 179.24 175.88 2fsf h TRP 541 N 0.38 0.10 -0.95 4.55 7.01 -1.04 -2.89 115.95 123.10 2fsf h TRP 541 Ca 0.50 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.65 2fsf h TRP 541 Cb 0.90 -0.02 -0.17 0.00 -2.10 0.00 0.00 29.16 27.77 2fsf h TRP 541 CO -0.18 0.42 -0.33 0.37 -2.79 0.00 0.00 178.44 175.94 2fsf h GLN 542 N -0.25 -0.01 -0.71 2.65 5.75 -0.95 0.50 115.11 122.08 2fsf h GLN 542 Ca 0.01 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2fsf h GLN 542 Cb 0.39 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 2fsf h GLN 542 CO 0.00 -0.01 0.38 0.28 -2.65 0.00 0.00 178.83 176.83 2fsf h VAL 543 N -0.01 0.90 -0.25 2.39 2.07 -1.53 0.37 116.25 120.20 2fsf h VAL 543 Ca 0.38 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 2fsf h VAL 543 Cb 0.64 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2fsf h VAL 543 CO -0.97 0.12 -0.05 0.03 0.02 0.00 0.00 177.57 176.73 2fsf h ARG 544 N 0.66 0.47 -0.21 1.57 3.08 -0.20 -0.63 114.38 119.12 2fsf h ARG 544 Ca 0.34 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2fsf h ARG 544 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2fsf h ARG 544 CO -0.23 0.68 0.14 1.25 -1.07 0.00 0.00 179.97 180.74 2fsf h HIS 545 N 0.22 0.27 -0.20 3.04 2.76 -0.05 -0.77 115.15 120.43 2fsf h HIS 545 Ca 0.06 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.07 2fsf h HIS 545 Cb 0.50 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 2fsf h HIS 545 CO 0.05 0.18 -0.56 -0.44 -1.30 0.00 0.00 177.93 175.85 2fsf h ASP 546 N 0.28 0.68 -0.82 3.26 5.19 -0.90 -1.00 116.42 123.12 2fsf h ASP 546 Ca 0.08 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 2fsf h ASP 546 Cb -0.02 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.25 2fsf h ASP 546 CO -0.02 1.10 0.39 0.00 -3.12 0.00 0.00 179.24 177.60 2fsf h ALA 547 N 0.91 1.05 -0.47 3.45 0.00 -0.89 -1.17 119.26 122.14 2fsf h ALA 547 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2fsf h ALA 547 Cb 1.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2fsf h ALA 547 CO 0.11 0.62 -0.13 0.28 0.00 0.00 0.00 179.25 180.13 2fsf h VAL 548 N 1.16 1.26 -0.57 0.00 2.07 -0.93 -0.99 116.25 118.25 2fsf h VAL 548 Ca 0.28 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 2fsf h VAL 548 Cb 0.12 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2fsf h VAL 548 CO -0.03 0.43 0.13 -0.07 0.02 0.00 0.00 177.57 178.05 2fsf h LEU 549 N 0.79 0.88 -0.47 2.57 3.38 -0.97 -1.46 115.31 120.03 2fsf h LEU 549 Ca 0.12 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2fsf h LEU 549 Cb 0.66 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2fsf h LEU 549 CO 0.05 0.89 0.21 -0.33 0.09 0.00 0.00 178.44 179.34 2fsf h GLU 550 N 0.83 0.41 0.00 1.13 4.39 -0.95 -1.89 114.58 118.50 2fsf h GLU 550 Ca 0.18 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2fsf h GLU 550 Cb 0.36 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2fsf h GLU 550 CO 0.00 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 2fsf n ALA 551 N -2.35 1.92 0.00 3.43 0.00 -0.40 -4.85 120.51 118.26 2fsf n ALA 551 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2fsf n ALA 551 Cb 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2fsf n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsf n GLY 552 N -0.18 1.08 7.00 0.00 0.00 -0.71 -4.72 105.19 107.66 2fsf n GLY 552 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2fsf n GLY 552 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsf n GLY 553 N -1.21 -1.64 3.70 -0.02 0.00 -0.60 -2.28 105.19 103.14 2fsf n GLY 553 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2fsf n GLY 553 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fsf s LEU 554 N 0.00 4.33 -0.16 0.99 2.96 -1.26 -4.26 118.68 121.28 2fsf s LEU 554 Ca 0.00 1.97 -0.16 0.00 -0.22 0.00 0.00 54.13 55.71 2fsf s LEU 554 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2fsf s LEU 554 CO 0.00 -0.56 0.41 -2.28 -1.32 0.00 0.00 176.35 172.61 2fsf s HIS 555 N 1.70 3.44 -0.19 5.38 5.65 -0.59 -1.66 115.29 129.02 2fsf s HIS 555 Ca 0.59 0.72 -0.06 0.00 0.25 0.00 0.00 55.06 56.55 2fsf s HIS 555 Cb -0.28 -2.51 -0.03 0.00 -1.18 0.00 0.00 32.58 28.58 2fsf s HIS 555 CO 0.26 0.10 0.04 0.42 -0.65 0.00 0.00 174.74 174.91 2fsf s ILE 556 N 0.93 4.47 -0.21 0.89 -1.09 -0.01 -0.92 121.20 125.25 2fsf s ILE 556 Ca 0.21 -0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.47 2fsf s ILE 556 Cb -0.14 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.73 2fsf s ILE 556 CO 0.08 0.44 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.50 2fsf s ILE 557 N 0.65 2.79 -0.27 2.92 1.01 0.12 -0.32 121.20 128.10 2fsf s ILE 557 Ca 0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 2fsf s ILE 557 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2fsf s ILE 557 CO 0.02 0.41 0.48 -0.83 0.00 0.00 0.00 174.94 175.03 2fsf s GLY 558 N 1.38 1.85 0.25 6.18 0.00 -0.17 -0.85 107.32 115.95 2fsf s GLY 558 Ca 0.04 -0.68 0.25 0.00 0.00 0.00 0.00 44.72 44.33 2fsf s GLY 558 CO -0.07 1.19 1.64 -0.91 0.00 0.00 0.00 173.10 174.95 2fsf h THR 559 N 5.42 0.00 -3.96 0.90 1.35 -1.55 -1.10 112.91 113.96 2fsf h THR 559 Ca -0.29 -0.61 -0.12 0.00 -0.55 0.00 0.00 66.41 64.84 2fsf h THR 559 Cb 1.14 1.53 -0.16 0.00 -1.73 0.00 0.00 68.15 68.93 2fsf h THR 559 CO 0.70 0.00 -0.55 -1.61 -0.25 0.00 0.00 175.52 173.81 2fsf s GLU 560 N -3.14 0.64 0.27 4.72 8.01 -1.24 -4.57 118.70 123.40 2fsf s GLU 560 Ca 0.09 -0.95 -0.09 0.00 0.01 0.00 0.00 54.97 54.02 2fsf s GLU 560 Cb 0.11 0.24 -0.07 0.00 -4.31 0.00 0.00 34.13 30.10 2fsf s GLU 560 CO 0.64 -0.16 0.60 1.03 0.01 0.00 0.00 175.26 177.38 2fsf s ARG 561 N -3.29 3.78 0.54 1.61 0.52 -1.26 -4.85 118.95 116.01 2fsf s ARG 561 Ca 0.01 0.27 -0.02 0.00 -0.52 0.00 0.00 55.73 55.47 2fsf s ARG 561 Cb 0.03 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.92 2fsf s ARG 561 CO -0.08 0.23 0.79 -1.01 0.02 0.00 0.00 175.30 175.26 2fsf s HIS 562 N -1.97 3.10 0.24 -0.53 3.76 -1.26 -4.79 115.29 113.85 2fsf s HIS 562 Ca 0.48 0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2fsf s HIS 562 Cb -0.11 -2.63 0.26 0.00 1.11 0.00 0.00 32.58 31.21 2fsf s HIS 562 CO 0.24 -0.73 1.57 1.49 -0.85 0.00 0.00 174.74 176.46 2fsf h GLU 563 N 0.06 0.24 -5.71 1.40 4.81 -2.00 -3.40 114.58 109.98 2fsf h GLU 563 Ca -0.45 -0.16 -0.59 0.00 -0.13 0.00 0.00 59.36 58.03 2fsf h GLU 563 Cb 1.27 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.59 2fsf h GLU 563 CO 0.57 0.76 0.10 0.45 -0.73 0.00 0.00 179.01 180.16 2fsf s SER 564 N -6.89 6.72 0.42 1.04 0.15 -1.26 -4.79 113.70 109.08 2fsf s SER 564 Ca -0.04 0.87 0.20 0.00 0.70 0.00 0.00 55.95 57.69 2fsf s SER 564 Cb 0.12 -2.35 0.93 0.00 -1.71 0.00 0.00 66.02 63.01 2fsf s SER 564 CO 0.80 -0.23 1.86 -0.09 1.20 0.00 0.00 173.24 176.77 2fsf h ARG 565 N 7.34 0.00 -0.67 5.44 2.43 -1.89 -3.16 114.38 123.87 2fsf h ARG 565 Ca -0.33 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.90 2fsf h ARG 565 Cb 1.15 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 2fsf h ARG 565 CO 0.77 0.29 0.38 -0.09 -1.51 0.00 0.00 179.97 179.80 2fsf h ARG 566 N 0.00 0.67 -1.00 0.20 2.43 -1.92 0.37 114.38 115.13 2fsf h ARG 566 Ca -0.00 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2fsf h ARG 566 Cb 0.68 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2fsf h ARG 566 CO 0.04 0.45 0.65 0.82 -1.51 0.00 0.00 179.97 180.42 2fsf h ILE 567 N 0.69 1.13 -0.51 1.20 2.04 -1.94 -1.50 117.51 118.63 2fsf h ILE 567 Ca 0.30 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2fsf h ILE 567 Cb 0.18 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 2fsf h ILE 567 CO -0.18 0.22 -0.05 0.44 0.00 0.00 0.00 178.15 178.58 2fsf h ASP 568 N 1.22 0.88 0.01 1.72 3.32 -1.03 -2.50 116.42 120.03 2fsf h ASP 568 Ca 0.41 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2fsf h ASP 568 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2fsf h ASP 568 CO -0.15 0.97 -0.13 0.78 -1.72 0.00 0.00 179.24 179.00 2fsf h ASN 569 N 0.82 0.25 -0.09 6.45 2.35 0.21 -1.66 115.58 123.90 2fsf h ASN 569 Ca 0.14 -0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 2fsf h ASN 569 Cb 0.56 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.87 2fsf h ASN 569 CO 0.03 0.40 -0.60 1.56 -1.65 0.00 0.00 177.43 177.18 2fsf h GLN 570 N 0.25 0.56 0.49 0.81 4.20 -1.01 -0.54 115.11 119.88 2fsf h GLN 570 Ca 0.05 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 2fsf h GLN 570 Cb 0.38 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2fsf h GLN 570 CO 0.02 1.11 -0.30 1.25 -0.67 0.00 0.00 178.83 180.24 2fsf h LEU 571 N 0.17 -0.76 -1.43 1.46 5.85 -1.14 -2.98 115.31 116.47 2fsf h LEU 571 Ca -0.05 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2fsf h LEU 571 Cb 1.25 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 2fsf h LEU 571 CO 0.12 -0.48 0.50 -0.09 -0.34 0.00 0.00 178.44 178.15 2fsf h ARG 572 N -0.76 0.61 0.00 1.25 2.43 -1.28 -2.28 114.38 114.34 2fsf h ARG 572 Ca -0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2fsf h ARG 572 Cb 0.62 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2fsf h ARG 572 CO 0.06 0.40 0.00 0.41 -1.51 0.00 0.00 179.97 179.33 2fsf n GLY 573 N -1.47 -0.82 0.18 2.80 0.00 -0.21 -1.80 105.19 103.88 2fsf n GLY 573 Ca 0.13 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2fsf n GLY 573 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fsf h ARG 574 N 0.00 0.00 -5.97 1.61 3.08 -1.43 -3.44 114.38 108.23 2fsf h ARG 574 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2fsf h ARG 574 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2fsf h ARG 574 CO 0.00 0.00 -0.47 0.45 -1.07 0.00 0.00 179.97 178.88 2fsf s SER 575 N -5.23 6.36 -0.10 7.04 0.15 -0.74 -4.70 113.70 116.49 2fsf s SER 575 Ca 0.06 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2fsf s SER 575 Cb 0.09 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2fsf s SER 575 CO 0.56 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2fsf n GLY 576 N 0.03 0.42 3.75 9.45 0.00 -1.26 -4.93 105.19 112.65 2fsf n GLY 576 Ca -0.05 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2fsf n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsf s ARG 577 N -2.68 4.46 -1.42 1.61 0.52 -1.26 -3.78 118.95 116.39 2fsf s ARG 577 Ca 0.00 2.02 -0.09 0.00 -0.52 0.00 0.00 55.73 57.14 2fsf s ARG 577 Cb 0.00 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 32.35 2fsf s ARG 577 CO 0.00 -0.09 1.00 1.04 0.02 0.00 0.00 175.30 177.27 2fsf n GLN 578 N 1.69 -6.24 0.00 3.54 6.02 -1.26 -2.46 117.38 118.67 2fsf n GLN 578 Ca 0.02 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2fsf n GLN 578 Cb 0.43 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.11 2fsf n GLN 578 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fsf n GLY 579 N -1.72 2.30 3.52 1.08 0.00 -1.25 -4.90 105.19 104.22 2fsf n GLY 579 Ca -0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.44 2fsf n GLY 579 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fsf n ASP 580 N 0.00 0.49 -4.74 1.61 8.00 -1.03 -4.63 116.55 116.25 2fsf n ASP 580 Ca 0.00 1.14 -0.36 0.00 0.71 0.00 0.00 54.79 56.28 2fsf n ASP 580 Cb 0.00 -1.06 0.06 0.00 -0.02 0.00 0.00 41.12 40.09 2fsf n ASP 580 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fsf s ALA 581 N -0.15 2.42 0.09 2.24 0.00 -1.26 -4.31 121.76 120.79 2fsf s ALA 581 Ca 0.80 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 2fsf s ALA 581 Cb -1.03 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 18.66 2fsf s ALA 581 CO 0.54 -1.46 1.15 0.20 0.00 0.00 0.00 175.76 176.19 2fsf s GLY 582 N -1.50 -0.01 0.23 0.00 0.00 -0.97 -3.98 107.32 101.09 2fsf s GLY 582 Ca 0.80 -0.14 -0.16 0.00 0.00 0.00 0.00 44.72 45.22 2fsf s GLY 582 CO 0.38 3.73 0.54 -1.35 0.00 0.00 0.00 173.10 176.41 2fsf s SER 583 N -3.56 -0.19 -0.02 1.64 1.04 -0.67 -0.94 113.70 111.00 2fsf s SER 583 Ca 0.25 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 2fsf s SER 583 Cb -0.01 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2fsf s SER 583 CO 0.02 -1.14 0.29 -0.94 0.98 0.00 0.00 173.24 172.45 2fsf s SER 584 N -2.93 -0.17 -0.14 7.02 1.04 -0.42 -0.83 113.70 117.26 2fsf s SER 584 Ca 0.14 0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.57 2fsf s SER 584 Cb -0.02 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2fsf s SER 584 CO 0.03 -0.42 0.33 -0.60 0.98 0.00 0.00 173.24 173.57 2fsf s ARG 585 N -1.26 0.31 -0.03 4.02 6.06 0.57 -1.45 118.95 127.16 2fsf s ARG 585 Ca -0.13 0.66 -0.01 0.00 -2.50 0.00 0.00 55.73 53.75 2fsf s ARG 585 Cb -0.05 -0.06 -0.04 0.00 0.06 0.00 0.00 34.95 34.86 2fsf s ARG 585 CO 0.04 -0.16 0.06 -0.06 -2.50 0.00 0.00 175.30 172.68 2fsf s PHE 586 N 1.31 3.27 -0.06 5.12 0.08 -1.26 -1.00 117.98 125.45 2fsf s PHE 586 Ca -0.09 0.23 0.05 0.00 0.12 0.00 0.00 56.93 57.24 2fsf s PHE 586 Cb -0.09 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2fsf s PHE 586 CO -0.11 0.55 -0.21 0.71 -0.10 0.00 0.00 175.22 176.06 2fsf s TYR 587 N -1.10 2.53 0.09 0.36 2.02 -0.42 -1.58 117.35 119.26 2fsf s TYR 587 Ca 0.20 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2fsf s TYR 587 Cb -0.12 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2fsf s TYR 587 CO 0.10 -0.07 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.42 2fsf s LEU 588 N -0.36 2.43 0.23 -1.29 1.02 -0.35 -3.59 118.68 116.77 2fsf s LEU 588 Ca 0.03 -0.86 0.03 0.00 0.02 0.00 0.00 54.13 53.35 2fsf s LEU 588 Cb -0.12 -0.20 -0.05 0.00 0.02 0.00 0.00 46.19 45.84 2fsf s LEU 588 CO 0.02 -0.34 0.00 -0.94 0.02 0.00 0.00 176.35 175.12 2fsf s SER 589 N -2.59 1.77 0.35 2.29 1.04 -1.26 -1.40 113.70 113.90 2fsf s SER 589 Ca 0.06 -1.23 0.27 0.00 0.48 0.00 0.00 55.95 55.53 2fsf s SER 589 Cb -0.00 0.02 1.12 0.00 0.10 0.00 0.00 66.02 67.26 2fsf s SER 589 CO -0.02 -0.53 1.80 0.24 0.98 0.00 0.00 173.24 175.71 2fsf h MET 590 N 2.47 0.00 -0.71 4.02 0.00 -0.73 -2.22 114.93 117.76 2fsf h MET 590 Ca -0.38 0.00 -0.23 0.00 0.00 0.00 0.00 59.70 59.08 2fsf h MET 590 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 31.60 32.68 2fsf h MET 590 CO 0.64 0.00 0.27 -0.85 0.00 0.00 0.00 176.91 176.97 2fsf n GLU 591 N -2.49 3.36 -3.11 1.72 0.28 -1.24 -4.86 120.64 114.30 2fsf n GLU 591 Ca 0.02 -3.08 -0.37 0.00 -0.16 0.00 0.00 57.16 53.57 2fsf n GLU 591 Cb 0.24 -2.16 -0.06 0.00 1.43 0.00 0.00 31.44 30.89 2fsf n GLU 591 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2fsf s ASP 592 N -1.25 7.08 0.15 -1.84 -0.00 -0.83 -4.90 116.67 115.07 2fsf s ASP 592 Ca 0.54 1.42 -0.17 0.00 -0.00 0.00 0.00 52.55 54.33 2fsf s ASP 592 Cb 0.44 -2.42 0.06 0.00 -0.00 0.00 0.00 42.92 41.00 2fsf s ASP 592 CO 0.12 0.07 1.71 0.00 -0.00 0.00 0.00 175.17 177.06 2fsf h ALA 593 N 3.58 0.30 -0.42 5.23 0.00 -1.91 -2.20 119.26 123.84 2fsf h ALA 593 Ca -0.48 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.64 2fsf h ALA 593 Cb 1.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2fsf h ALA 593 CO 0.65 -0.40 0.42 1.25 0.00 0.00 0.00 179.25 181.17 2fsf h LEU 594 N 0.10 0.00 -0.67 0.00 6.46 -1.93 -0.11 115.31 119.16 2fsf h LEU 594 Ca 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2fsf h LEU 594 Cb 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2fsf h LEU 594 CO -0.26 0.00 0.00 0.23 -0.62 0.00 0.00 178.44 177.79 2fsf n MET 595 N -3.83 0.47 -0.11 1.25 2.81 -0.83 -1.63 117.12 115.25 2fsf n MET 595 Ca 0.07 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 2fsf n MET 595 Cb 0.60 -1.16 -0.14 0.00 -0.71 0.00 0.00 33.22 31.81 2fsf n MET 595 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2fsf n ARG 596 N 0.02 0.67 0.00 0.03 1.74 -0.05 -4.43 116.66 114.63 2fsf n ARG 596 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2fsf n ARG 596 Cb 0.08 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2fsf n ARG 596 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2fsf n ILE 597 N -2.99 0.82 -0.78 0.55 -5.35 -0.65 -0.34 119.36 110.63 2fsf n ILE 597 Ca -0.39 0.21 -0.20 0.00 -0.27 0.00 0.00 62.75 62.11 2fsf n ILE 597 Cb 1.08 -1.21 0.08 0.00 -1.74 0.00 0.00 39.64 37.85 2fsf n ILE 597 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2fsf n PHE 598 N -1.20 2.06 -0.21 4.28 3.72 -1.26 -4.93 117.46 119.92 2fsf n PHE 598 Ca 0.00 -1.91 0.00 0.00 -0.05 0.00 0.00 57.45 55.49 2fsf n PHE 598 Cb 0.00 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 2fsf n PHE 598 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fsf n ALA 599 N -0.29 0.00 -3.65 4.37 0.00 0.54 -4.67 120.51 116.80 2fsf n ALA 599 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 2fsf n ALA 599 Cb 0.90 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.28 2fsf n ALA 599 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fsf s SER 600 N 0.00 -0.88 0.08 0.00 0.15 -1.26 -5.06 113.70 106.72 2fsf s SER 600 Ca 0.00 1.40 -0.13 0.00 0.70 0.00 0.00 55.95 57.92 2fsf s SER 600 Cb 0.00 1.54 -0.23 0.00 -1.71 0.00 0.00 66.02 65.63 2fsf s SER 600 CO 0.00 -0.23 1.19 0.44 1.20 0.00 0.00 173.24 175.85 2fsf h ASP 601 N 7.38 0.89 -0.04 5.45 3.45 -1.95 -2.24 116.42 129.37 2fsf h ASP 601 Ca -0.27 -0.72 0.02 0.00 0.43 0.00 0.00 57.03 56.49 2fsf h ASP 601 Cb 1.18 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.65 2fsf h ASP 601 CO 0.16 1.52 -0.08 0.03 -1.57 0.00 0.00 179.24 179.30 2fsf h ARG 602 N 0.38 -0.11 0.00 3.56 3.08 -1.97 -2.95 114.38 116.38 2fsf h ARG 602 Ca -0.13 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2fsf h ARG 602 Cb 1.70 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.78 2fsf h ARG 602 CO 0.20 -0.08 0.00 0.28 -1.07 0.00 0.00 179.97 179.31 2fsf n VAL 603 N -5.20 0.00 -0.32 2.04 0.31 -0.88 -2.07 118.33 112.20 2fsf n VAL 603 Ca -0.05 1.14 0.32 0.00 -0.01 0.00 0.00 64.34 65.74 2fsf n VAL 603 Cb 0.13 -1.95 0.59 0.00 -0.91 0.00 0.00 33.84 31.70 2fsf n VAL 603 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2fsf h SER 604 N 0.00 0.32 0.00 4.52 0.02 -1.66 -1.65 113.55 115.10 2fsf h SER 604 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2fsf h SER 604 Cb 0.00 0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2fsf h SER 604 CO 0.00 -0.43 0.00 0.61 -1.14 0.00 0.00 176.83 175.87 2fsf n GLY 605 N -1.27 -0.76 0.09 -3.77 0.00 -0.88 -1.92 105.19 96.68 2fsf n GLY 605 Ca 0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 2fsf n GLY 605 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2fsf h MET 606 N 0.00 0.00 -0.41 1.61 4.05 -1.24 -3.24 114.93 115.70 2fsf h MET 606 Ca 0.00 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 2fsf h MET 606 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2fsf h MET 606 CO 0.00 0.64 0.28 0.52 0.23 0.00 0.00 176.91 178.58 2fsf h MET 607 N 0.00 0.21 0.00 0.39 2.86 -1.57 0.33 114.93 117.15 2fsf h MET 607 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2fsf h MET 607 Cb 1.69 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.31 2fsf h MET 607 CO 0.09 0.14 0.00 0.00 1.06 0.00 0.00 176.91 178.20 2fsf h ARG 608 N 0.22 0.00 0.00 1.72 3.08 -1.74 -2.40 114.38 115.26 2fsf h ARG 608 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2fsf h ARG 608 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2fsf h ARG 608 CO -0.03 0.00 -0.29 0.87 -1.07 0.00 0.00 179.97 179.45 2fsf h LYS 609 N 0.00 0.00 0.00 0.04 1.79 -0.54 -2.04 116.57 115.82 2fsf h LYS 609 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2fsf h LYS 609 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2fsf h LYS 609 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2fsf n LEU 610 N -2.42 0.44 0.00 2.94 4.32 -0.90 -4.92 117.00 116.45 2fsf n LEU 610 Ca 0.04 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 2fsf n LEU 610 Cb 0.46 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2fsf n LEU 610 CO 0.34 -0.41 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 2fsf n GLY 611 N 0.17 1.45 4.06 -0.72 0.00 -0.77 -4.77 105.19 104.61 2fsf n GLY 611 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2fsf n GLY 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fsf n MET 612 N 0.00 0.00 -2.68 1.61 2.81 -1.26 -4.88 117.12 112.72 2fsf n MET 612 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 2fsf n MET 612 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 2fsf n MET 612 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2fsf n LYS 613 N 0.00 -3.69 -0.09 0.03 4.76 -1.26 -3.80 118.16 114.11 2fsf n LYS 613 Ca 0.00 2.91 0.00 0.00 -2.87 0.00 0.00 58.31 58.35 2fsf n LYS 613 Cb 0.00 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 27.88 2fsf n LYS 613 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2fsf n PRO 614 N 0.88 0.00 0.00 1.97 -0.02 -1.26 -0.17 135.00 136.40 2fsf n PRO 614 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2fsf n PRO 614 Cb 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2fsf n PRO 614 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fsf n GLY 615 N 0.35 1.04 2.20 -1.23 0.00 -1.26 -5.01 105.19 101.29 2fsf n GLY 615 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2fsf n GLY 615 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fsf n GLU 616 N -0.19 3.47 -2.05 1.61 2.13 0.76 -5.04 120.64 121.32 2fsf n GLU 616 Ca 0.00 -4.18 -0.28 0.00 0.66 0.00 0.00 57.16 53.36 2fsf n GLU 616 Cb 0.00 -2.27 0.13 0.00 0.27 0.00 0.00 31.44 29.57 2fsf n GLU 616 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fsf s ALA 617 N -3.62 2.70 0.00 4.31 0.00 -1.25 -4.71 121.76 119.19 2fsf s ALA 617 Ca 0.51 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2fsf s ALA 617 Cb 0.42 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2fsf s ALA 617 CO -0.04 -1.90 0.00 -0.89 0.00 0.00 0.00 175.76 172.93 2fsf n ILE 618 N -3.37 0.00 -0.15 0.00 5.41 -1.26 -5.13 119.36 114.86 2fsf n ILE 618 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2fsf n ILE 618 Cb 0.60 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 2fsf n ILE 618 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fsf n GLU 619 N -2.73 0.00 -3.81 0.38 1.02 -1.26 -5.05 120.64 109.19 2fsf n GLU 619 Ca 0.00 0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2fsf n GLU 619 Cb 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.66 2fsf n GLU 619 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fsf s HIS 620 N -0.13 2.39 0.11 -0.32 3.76 -1.26 -4.99 115.29 114.85 2fsf s HIS 620 Ca 0.00 -2.40 0.18 0.00 -0.15 0.00 0.00 55.06 52.68 2fsf s HIS 620 Cb 0.00 -2.15 0.96 0.00 1.11 0.00 0.00 32.58 32.50 2fsf s HIS 620 CO 0.00 -0.84 1.48 -1.00 -0.85 0.00 0.00 174.74 173.52 2fsf h PRO 621 N 7.34 0.00 0.00 8.40 0.13 -1.97 -0.53 132.00 145.37 2fsf h PRO 621 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 2fsf h PRO 621 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2fsf h PRO 621 CO 0.51 0.00 -0.32 0.11 -0.23 0.00 0.00 178.00 178.07 2fsf h TRP 622 N 0.00 0.00 -0.67 1.56 5.08 -1.98 -3.13 115.95 116.81 2fsf h TRP 622 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 2fsf h TRP 622 Cb 0.52 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.65 2fsf h TRP 622 CO 0.00 0.32 0.23 0.28 -1.28 0.00 0.00 178.44 177.99 2fsf h VAL 623 N 0.00 1.25 -0.41 0.12 2.07 -1.47 0.27 116.25 118.09 2fsf h VAL 623 Ca -0.00 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2fsf h VAL 623 Cb 0.70 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2fsf h VAL 623 CO 0.04 0.32 0.25 0.74 0.02 0.00 0.00 177.57 178.94 2fsf h THR 624 N 0.97 1.05 -0.13 2.57 2.02 -1.68 0.17 112.91 117.88 2fsf h THR 624 Ca 0.22 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2fsf h THR 624 Cb 0.27 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2fsf h THR 624 CO -0.01 0.09 -0.02 0.11 0.37 0.00 0.00 175.52 176.06 2fsf h LYS 625 N 0.50 0.25 -0.87 6.66 1.57 -1.47 -0.81 116.57 122.40 2fsf h LYS 625 Ca 0.16 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 2fsf h LYS 625 Cb -0.01 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 2fsf h LYS 625 CO -0.07 0.53 0.49 0.00 -0.57 0.00 0.00 179.45 179.83 2fsf h ALA 626 N 0.71 1.31 -0.14 3.86 0.00 -0.63 0.38 119.26 124.74 2fsf h ALA 626 Ca 0.03 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2fsf h ALA 626 Cb 0.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2fsf h ALA 626 CO 0.01 0.02 -0.73 0.82 0.00 0.00 0.00 179.25 179.36 2fsf h ILE 627 N 0.74 1.29 -0.42 0.00 2.04 -0.60 -1.74 117.51 118.82 2fsf h ILE 627 Ca 0.46 -1.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.32 2fsf h ILE 627 Cb 0.56 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2fsf h ILE 627 CO -0.31 0.61 0.05 0.00 0.00 0.00 0.00 178.15 178.50 2fsf h ALA 628 N 0.53 1.32 -0.45 1.87 0.00 -0.47 -1.82 119.26 120.24 2fsf h ALA 628 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2fsf h ALA 628 Cb 1.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2fsf h ALA 628 CO 0.15 0.47 0.17 -0.97 0.00 0.00 0.00 179.25 179.08 2fsf h ASN 629 N 0.62 0.62 -0.29 0.00 -0.00 -0.19 -1.17 115.58 115.17 2fsf h ASN 629 Ca 0.14 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.23 2fsf h ASN 629 Cb 0.31 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.46 2fsf h ASN 629 CO 0.01 0.63 0.05 0.00 -0.00 0.00 0.00 177.43 178.11 2fsf h ALA 630 N 1.02 0.39 -0.68 1.57 0.00 -0.96 -1.23 119.26 119.36 2fsf h ALA 630 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fsf h ALA 630 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2fsf h ALA 630 CO -0.01 0.08 0.44 1.96 0.00 0.00 0.00 179.25 181.71 2fsf h GLN 631 N 0.30 0.90 0.00 0.00 4.20 -1.24 -2.33 115.11 116.94 2fsf h GLN 631 Ca 0.09 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 2fsf h GLN 631 Cb 0.34 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2fsf h GLN 631 CO 0.01 0.61 -0.48 0.07 -0.67 0.00 0.00 178.83 178.37 2fsf h ARG 632 N 0.93 0.00 0.02 1.46 0.11 -0.69 -2.72 114.38 113.48 2fsf h ARG 632 Ca 0.25 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.12 2fsf h ARG 632 Cb -0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 2fsf h ARG 632 CO -0.05 0.48 -0.94 0.87 0.10 0.00 0.00 179.97 180.43 2fsf h LYS 633 N 0.00 0.24 -0.14 0.08 1.57 -0.95 -1.76 116.57 115.62 2fsf h LYS 633 Ca -0.00 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2fsf h LYS 633 Cb 1.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2fsf h LYS 633 CO 0.06 1.02 0.06 0.28 -0.57 0.00 0.00 179.45 180.30 2fsf h VAL 634 N 0.13 0.99 -0.37 0.50 2.07 -1.41 -0.03 116.25 118.13 2fsf h VAL 634 Ca -0.06 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2fsf h VAL 634 Cb 1.58 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2fsf h VAL 634 CO 0.15 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 177.65 2fsf h GLU 635 N 0.14 0.42 -0.10 1.57 4.39 -1.46 -1.48 114.58 118.07 2fsf h GLU 635 Ca 0.06 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2fsf h GLU 635 Cb 0.01 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2fsf h GLU 635 CO -0.04 0.28 0.00 0.77 -1.16 0.00 0.00 179.01 178.86 2fsf h SER 636 N 0.44 -0.03 -0.51 1.42 0.02 -1.27 0.13 113.55 113.74 2fsf h SER 636 Ca 0.15 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 2fsf h SER 636 Cb 0.00 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.48 2fsf h SER 636 CO -0.07 -0.00 -0.14 0.03 -1.14 0.00 0.00 176.83 175.51 2fsf h ARG 637 N 0.04 -0.02 -0.41 3.45 3.08 -0.94 -0.10 114.38 119.48 2fsf h ARG 637 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2fsf h ARG 637 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2fsf h ARG 637 CO -0.08 -0.01 0.03 -0.91 -1.07 0.00 0.00 179.97 177.93 2fsf h ASN 638 N -0.02 0.68 -0.47 7.04 -0.26 -0.94 -2.81 115.58 118.80 2fsf h ASN 638 Ca 0.24 -0.29 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 2fsf h ASN 638 Cb 0.39 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 2fsf h ASN 638 CO -0.53 0.80 0.11 0.15 -1.06 0.00 0.00 177.43 176.90 2fsf h PHE 639 N 0.54 0.80 -0.98 1.19 3.57 -0.62 -1.41 116.94 120.03 2fsf h PHE 639 Ca 0.12 -0.10 0.22 0.00 3.53 0.00 0.00 57.97 61.74 2fsf h PHE 639 Cb 0.43 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 2fsf h PHE 639 CO 0.03 0.72 0.62 -0.44 -2.23 0.00 0.00 178.31 177.02 2fsf h ASP 640 N 0.64 0.57 -0.06 0.41 3.32 -0.90 0.21 116.42 120.62 2fsf h ASP 640 Ca 0.15 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 2fsf h ASP 640 Cb 0.33 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2fsf h ASP 640 CO 0.00 0.19 -0.60 0.40 -1.72 0.00 0.00 179.24 177.51 2fsf h ILE 641 N 0.55 1.31 -0.34 0.35 2.04 -1.19 -2.75 117.51 117.47 2fsf h ILE 641 Ca 0.55 -1.84 -0.14 0.00 1.00 0.00 0.00 64.86 64.44 2fsf h ILE 641 Cb 1.15 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 2fsf h ILE 641 CO -0.29 0.58 -0.32 0.03 0.00 0.00 0.00 178.15 178.15 2fsf h ARG 642 N 0.49 0.82 -0.84 2.37 3.08 -0.03 -2.73 114.38 117.55 2fsf h ARG 642 Ca -0.00 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.68 2fsf h ARG 642 Cb 1.17 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 2fsf h ARG 642 CO 0.12 1.06 0.52 -0.22 -1.07 0.00 0.00 179.97 180.37 2fsf h LYS 643 N 0.61 0.92 -0.79 0.04 1.63 -0.65 0.17 116.57 118.49 2fsf h LYS 643 Ca 0.06 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2fsf h LYS 643 Cb 0.90 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 2fsf h LYS 643 CO 0.08 0.61 0.38 1.96 -3.45 0.00 0.00 179.45 179.03 2fsf h GLN 644 N 0.95 1.13 -0.34 1.90 1.08 -1.37 -1.67 115.11 116.79 2fsf h GLN 644 Ca 0.36 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 2fsf h GLN 644 Cb 0.16 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2fsf h GLN 644 CO -0.17 0.87 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.40 2fsf h LEU 645 N 1.11 0.69 -1.80 1.46 3.38 -0.91 -2.20 115.31 117.04 2fsf h LEU 645 Ca 0.27 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2fsf h LEU 645 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2fsf h LEU 645 CO -0.04 0.91 0.31 -0.07 0.09 0.00 0.00 178.44 179.65 2fsf h LEU 646 N 0.46 0.21 -1.00 1.67 3.38 -0.68 -1.07 115.31 118.27 2fsf h LEU 646 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2fsf h LEU 646 Cb 0.63 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2fsf h LEU 646 CO 0.04 0.13 -0.24 -0.33 0.09 0.00 0.00 178.44 178.14 2fsf h GLU 647 N 0.24 0.44 -0.38 1.13 5.08 -0.67 -0.17 114.58 120.25 2fsf h GLU 647 Ca 0.21 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2fsf h GLU 647 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2fsf h GLU 647 CO -0.04 0.65 0.01 1.88 -1.00 0.00 0.00 179.01 180.51 2fsf h TYR 648 N 0.39 0.72 -0.88 4.33 -1.99 -1.20 -3.11 116.97 115.24 2fsf h TYR 648 Ca 0.06 -0.12 0.19 0.00 2.00 0.00 0.00 58.73 60.85 2fsf h TYR 648 Cb 0.63 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 39.10 2fsf h TYR 648 CO 0.02 0.75 0.58 -0.44 -0.00 0.00 0.00 178.16 179.07 2fsf h ASP 649 N 0.49 0.45 0.24 3.88 5.19 -0.87 -2.61 116.42 123.17 2fsf h ASP 649 Ca 0.11 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 2fsf h ASP 649 Cb 0.45 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2fsf h ASP 649 CO 0.02 0.19 -0.19 0.44 -3.12 0.00 0.00 179.24 176.58 2fsf h ASP 650 N 0.45 0.00 0.53 6.45 5.19 -0.96 -0.50 116.42 127.59 2fsf h ASP 650 Ca 0.45 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.84 2fsf h ASP 650 Cb 1.05 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.57 2fsf h ASP 650 CO -0.18 0.19 -0.25 0.58 -3.12 0.00 0.00 179.24 176.46 2fsf h VAL 651 N 0.00 0.44 -0.57 -1.35 2.07 -1.57 -1.96 116.25 113.30 2fsf h VAL 651 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2fsf h VAL 651 Cb 0.36 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2fsf h VAL 651 CO 0.02 0.03 0.26 0.00 0.02 0.00 0.00 177.57 177.91 2fsf h ALA 652 N -0.46 1.37 -0.02 1.67 0.00 -1.59 -1.83 119.26 118.40 2fsf h ALA 652 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2fsf h ALA 652 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2fsf h ALA 652 CO 0.12 0.48 -0.01 -0.97 0.00 0.00 0.00 179.25 178.87 2fsf h ASN 653 N 0.81 -0.03 -0.83 0.00 -1.24 -1.04 -1.43 115.58 111.82 2fsf h ASN 653 Ca 0.20 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 2fsf h ASN 653 Cb 0.12 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 2fsf h ASN 653 CO -0.02 -0.01 0.48 0.44 -1.29 0.00 0.00 177.43 177.03 2fsf h ASP 654 N -0.00 1.03 -0.06 1.15 3.45 -1.11 -0.47 116.42 120.41 2fsf h ASP 654 Ca 0.01 -0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 2fsf h ASP 654 Cb 0.02 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.53 2fsf h ASP 654 CO -0.03 0.81 0.03 1.56 -1.57 0.00 0.00 179.24 180.04 2fsf h GLN 655 N 1.17 0.09 -0.52 3.56 4.20 -1.19 -1.36 115.11 121.05 2fsf h GLN 655 Ca 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2fsf h GLN 655 Cb -0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2fsf h GLN 655 CO -0.05 0.18 0.26 -0.09 -0.67 0.00 0.00 178.83 178.46 2fsf h ARG 656 N -0.03 0.74 -0.69 1.46 2.43 -1.13 0.03 114.38 117.19 2fsf h ARG 656 Ca 0.02 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2fsf h ARG 656 Cb 0.13 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2fsf h ARG 656 CO -0.00 0.61 0.41 -0.09 -1.51 0.00 0.00 179.97 179.38 2fsf h ARG 657 N 0.69 0.74 -0.26 0.20 2.43 -1.04 0.55 114.38 117.70 2fsf h ARG 657 Ca 0.18 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2fsf h ARG 657 Cb 0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2fsf h ARG 657 CO -0.02 0.49 0.08 0.00 -1.51 0.00 0.00 179.97 179.01 2fsf h ALA 658 N 1.33 0.34 -0.34 2.80 0.00 -0.71 -1.92 119.26 120.76 2fsf h ALA 658 Ca 0.30 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2fsf h ALA 658 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2fsf h ALA 658 CO -0.15 -0.04 -0.42 0.97 0.00 0.00 0.00 179.25 179.61 2fsf h ILE 659 N 0.25 1.28 -0.19 0.00 6.09 -0.85 -2.14 117.51 121.96 2fsf h ILE 659 Ca 0.08 -1.59 -0.14 0.00 -1.37 0.00 0.00 64.86 61.84 2fsf h ILE 659 Cb 0.23 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 2fsf h ILE 659 CO -0.00 0.53 -0.47 1.88 -3.07 0.00 0.00 178.15 177.01 2fsf h TYR 660 N 0.69 0.59 -0.25 2.19 -1.99 -0.92 0.02 116.97 117.30 2fsf h TYR 660 Ca 0.05 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 2fsf h TYR 660 Cb 1.00 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 2fsf h TYR 660 CO 0.06 0.87 0.10 1.03 -0.00 0.00 0.00 178.16 180.22 2fsf h SER 661 N 0.39 0.35 -0.50 3.88 0.87 -1.05 0.24 113.55 117.73 2fsf h SER 661 Ca 0.02 -0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2fsf h SER 661 Cb 0.98 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.78 2fsf h SER 661 CO 0.09 0.42 0.14 -0.61 -0.53 0.00 0.00 176.83 176.33 2fsf h GLN 662 N 0.26 0.28 -0.35 2.24 4.15 -1.35 -1.37 115.11 118.98 2fsf h GLN 662 Ca 0.08 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 2fsf h GLN 662 Cb 0.18 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2fsf h GLN 662 CO -0.01 0.19 0.06 -0.09 -1.93 0.00 0.00 178.83 177.05 2fsf h ARG 663 N 0.29 0.57 -0.55 1.69 2.43 -0.63 -2.13 114.38 116.05 2fsf h ARG 663 Ca 0.24 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2fsf h ARG 663 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2fsf h ARG 663 CO -0.28 0.64 0.09 -0.91 -1.51 0.00 0.00 179.97 178.00 2fsf h ASN 664 N 0.41 0.83 -0.65 -3.80 2.35 -0.89 0.71 115.58 114.54 2fsf h ASN 664 Ca 0.11 -0.17 0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2fsf h ASN 664 Cb 0.35 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 2fsf h ASN 664 CO 0.01 0.84 0.27 -0.33 -1.65 0.00 0.00 177.43 176.57 2fsf h GLU 665 N 0.83 0.46 0.16 0.81 5.08 -0.92 -0.94 114.58 120.06 2fsf h GLU 665 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2fsf h GLU 665 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2fsf h GLU 665 CO 0.01 0.30 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.17 2fsf h LEU 666 N 0.47 -0.18 -1.48 1.33 3.38 -1.08 -3.01 115.31 114.74 2fsf h LEU 666 Ca 0.32 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.32 2fsf h LEU 666 Cb 0.38 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2fsf h LEU 666 CO -0.30 -0.03 0.49 0.25 0.09 0.00 0.00 178.44 178.95 2fsf h LEU 667 N -0.34 0.51 0.00 1.67 5.85 -0.61 -2.77 115.31 119.62 2fsf h LEU 667 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2fsf h LEU 667 Cb 0.26 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2fsf h LEU 667 CO 0.04 0.29 0.00 0.47 -0.34 0.00 0.00 178.44 178.90 2fsf n ASP 668 N -4.49 0.00 -4.59 1.25 8.00 -0.38 -4.20 116.55 112.14 2fsf n ASP 668 Ca 0.13 -0.01 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 2fsf n ASP 668 Cb 0.40 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 2fsf n ASP 668 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fsf s VAL 669 N -2.64 3.53 -0.22 2.53 0.11 -1.05 -5.02 120.40 117.64 2fsf s VAL 669 Ca 0.24 -0.96 0.22 0.00 -2.93 0.00 0.00 61.98 58.54 2fsf s VAL 669 Cb 0.18 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2fsf s VAL 669 CO 0.42 0.29 1.00 -1.20 -3.33 0.00 0.00 175.10 172.29 2fsf n SER 670 N 1.25 0.84 -3.76 3.54 7.64 -1.26 -4.85 113.62 117.02 2fsf n SER 670 Ca -0.15 0.33 -0.27 0.00 1.01 0.00 0.00 58.87 59.79 2fsf n SER 670 Cb 0.52 0.44 -0.17 0.00 -1.01 0.00 0.00 64.21 64.00 2fsf n SER 670 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2fsf s ASP 671 N -5.40 2.82 0.00 6.43 -1.08 -1.26 -4.61 116.67 113.57 2fsf s ASP 671 Ca -0.01 -0.76 0.22 0.00 -0.52 0.00 0.00 52.55 51.49 2fsf s ASP 671 Cb 0.09 -0.64 0.56 0.00 -1.46 0.00 0.00 42.92 41.47 2fsf s ASP 671 CO 0.80 -0.28 1.48 0.55 0.52 0.00 0.00 175.17 178.23 2fsf n VAL 672 N 5.02 0.76 -0.24 1.11 3.14 -1.26 -4.75 118.33 122.11 2fsf n VAL 672 Ca -0.09 -0.85 -0.06 0.00 -2.96 0.00 0.00 64.34 60.37 2fsf n VAL 672 Cb 0.47 0.65 -0.06 0.00 -1.06 0.00 0.00 33.84 33.85 2fsf n VAL 672 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2fsf n SER 673 N 1.50 -0.60 0.08 6.55 7.64 -1.26 -1.44 113.62 126.10 2fsf n SER 673 Ca 0.22 1.06 -0.12 0.00 1.01 0.00 0.00 58.87 61.04 2fsf n SER 673 Cb 0.59 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2fsf n SER 673 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2fsf h GLU 674 N 0.00 -0.19 -0.42 1.43 4.22 -2.00 -0.22 114.58 117.40 2fsf h GLU 674 Ca 0.09 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.61 2fsf h GLU 674 Cb 0.23 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2fsf h GLU 674 CO -0.53 -0.12 0.04 1.15 -2.18 0.00 0.00 179.01 177.37 2fsf h THR 675 N -0.19 0.73 0.13 0.32 2.02 -1.80 -1.71 112.91 112.40 2fsf h THR 675 Ca 0.01 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2fsf h THR 675 Cb 0.20 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2fsf h THR 675 CO -0.05 0.03 -0.32 0.40 0.37 0.00 0.00 175.52 175.95 2fsf h ILE 676 N 0.15 0.32 -0.91 3.11 1.08 -0.78 0.23 117.51 120.72 2fsf h ILE 676 Ca 0.20 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.85 2fsf h ILE 676 Cb 0.28 0.32 -0.10 0.00 -3.07 0.00 0.00 36.82 34.25 2fsf h ILE 676 CO -0.31 0.00 0.50 0.78 -0.69 0.00 0.00 178.15 178.43 2fsf h ASN 677 N -0.55 0.61 -0.02 1.72 2.35 -0.80 0.90 115.58 119.79 2fsf h ASN 677 Ca 0.03 0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2fsf h ASN 677 Cb 0.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.95 2fsf h ASN 677 CO -0.18 0.22 -0.41 -1.28 -1.65 0.00 0.00 177.43 174.13 2fsf h SER 678 N 0.65 0.39 1.39 5.81 0.87 -0.95 -3.03 113.55 118.69 2fsf h SER 678 Ca 0.52 -0.74 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2fsf h SER 678 Cb 0.79 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2fsf h SER 678 CO -0.39 1.08 -0.08 0.16 -0.53 0.00 0.00 176.83 177.07 2fsf h ILE 679 N -0.27 0.17 -0.32 2.23 3.07 -0.17 -2.65 117.51 119.58 2fsf h ILE 679 Ca -0.05 -0.94 -0.06 0.00 1.55 0.00 0.00 64.86 65.37 2fsf h ILE 679 Cb 1.13 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 39.47 2fsf h ILE 679 CO 0.08 0.08 -0.04 -0.09 -1.05 0.00 0.00 178.15 177.13 2fsf h ARG 680 N 0.00 0.50 0.03 0.16 2.43 -0.77 0.78 114.38 117.51 2fsf h ARG 680 Ca -0.00 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 58.86 2fsf h ARG 680 Cb 0.80 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2fsf h ARG 680 CO 0.01 0.56 -0.77 0.93 -1.51 0.00 0.00 179.97 179.19 2fsf h GLU 681 N 0.48 0.48 -0.80 0.20 5.08 -1.40 -1.49 114.58 117.11 2fsf h GLU 681 Ca 0.10 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2fsf h GLU 681 Cb 0.38 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2fsf h GLU 681 CO 0.02 1.19 0.53 -0.44 -1.00 0.00 0.00 179.01 179.31 2fsf h ASP 682 N -0.00 0.86 -0.09 1.42 3.32 -1.10 -0.33 116.42 120.50 2fsf h ASP 682 Ca -0.10 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 2fsf h ASP 682 Cb 1.49 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.85 2fsf h ASP 682 CO 0.15 0.59 -0.74 0.58 -1.72 0.00 0.00 179.24 178.10 2fsf h VAL 683 N 0.99 1.32 -0.50 -1.35 2.07 -0.57 -1.48 116.25 116.73 2fsf h VAL 683 Ca 0.32 -2.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.77 2fsf h VAL 683 Cb 0.04 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2fsf h VAL 683 CO -0.09 0.62 0.04 -0.26 0.02 0.00 0.00 177.57 177.89 2fsf h PHE 684 N 0.32 0.92 0.74 1.57 0.04 -1.13 0.13 116.94 119.53 2fsf h PHE 684 Ca -0.07 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 2fsf h PHE 684 Cb 1.39 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 39.30 2fsf h PHE 684 CO 0.11 0.86 -0.37 -0.22 -0.60 0.00 0.00 178.31 178.08 2fsf h LYS 685 N 0.72 -0.98 -0.84 1.51 3.64 -0.99 0.77 116.57 120.40 2fsf h LYS 685 Ca 0.15 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.79 2fsf h LYS 685 Cb 0.47 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.39 2fsf h LYS 685 CO 0.02 -0.65 0.29 0.00 -2.27 0.00 0.00 179.45 176.84 2fsf h ALA 686 N -0.76 1.24 -0.09 5.00 0.00 -1.23 -0.96 119.26 122.46 2fsf h ALA 686 Ca -0.10 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2fsf h ALA 686 Cb 0.79 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2fsf h ALA 686 CO 0.16 -0.35 -0.17 1.15 0.00 0.00 0.00 179.25 180.04 2fsf h THR 687 N 0.33 1.40 -0.78 0.00 2.02 -0.41 -3.08 112.91 112.39 2fsf h THR 687 Ca 0.51 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 2fsf h THR 687 Cb 0.93 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.44 2fsf h THR 687 CO -0.54 0.41 0.38 0.40 0.37 0.00 0.00 175.52 176.55 2fsf h ILE 688 N -0.18 1.24 -0.90 3.11 2.04 -0.63 -2.89 117.51 119.30 2fsf h ILE 688 Ca 0.00 -0.67 0.17 0.00 1.00 0.00 0.00 64.86 65.37 2fsf h ILE 688 Cb 0.74 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 2fsf h ILE 688 CO 0.04 0.29 0.58 0.44 0.00 0.00 0.00 178.15 179.49 2fsf h ASP 689 N 1.09 0.56 0.00 1.72 3.32 -1.10 0.40 116.42 122.42 2fsf h ASP 689 Ca 0.27 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2fsf h ASP 689 Cb 0.10 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2fsf h ASP 689 CO -0.04 0.25 -0.00 0.00 -1.72 0.00 0.00 179.24 177.74 2fsf h ALA 690 N 1.61 1.26 0.00 3.45 0.00 -1.44 -3.19 119.26 120.95 2fsf h ALA 690 Ca 0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2fsf h ALA 690 Cb 0.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2fsf h ALA 690 CO -0.21 0.00 -1.24 0.66 0.00 0.00 0.00 179.25 178.46 2fsf n TYR 691 N -3.46 0.00 -3.88 0.00 4.01 0.11 -4.90 117.16 109.03 2fsf n TYR 691 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 2fsf n TYR 691 Cb 0.08 -0.15 -0.14 0.00 -0.31 0.00 0.00 39.34 38.81 2fsf n TYR 691 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2fsf s ILE 692 N -2.20 2.13 0.14 -0.72 1.01 0.84 -1.15 121.20 121.25 2fsf s ILE 692 Ca -0.02 -2.89 -0.32 0.00 0.00 0.00 0.00 60.65 57.42 2fsf s ILE 692 Cb 0.02 -2.50 -0.12 0.00 0.01 0.00 0.00 42.46 39.87 2fsf s ILE 692 CO 0.18 -0.79 1.74 -2.65 0.00 0.00 0.00 174.94 173.41 2fsf n PRO 693 N 3.47 2.56 -1.69 2.79 -0.02 -1.23 -4.22 135.00 136.66 2fsf n PRO 693 Ca 0.05 0.93 -0.44 0.00 -2.02 0.00 0.00 63.50 62.03 2fsf n PRO 693 Cb 0.34 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 2fsf n PRO 693 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2fsf n PRO 694 N 4.60 2.61 -1.06 0.52 -0.02 -1.26 -2.01 135.00 138.37 2fsf n PRO 694 Ca 0.17 0.95 -0.02 0.00 -2.02 0.00 0.00 63.50 62.58 2fsf n PRO 694 Cb 0.34 -2.81 -0.01 0.00 -0.02 0.00 0.00 33.50 30.99 2fsf n PRO 694 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fsf n GLN 695 N 5.27 -0.25 -2.91 -0.52 6.02 -1.26 -5.04 117.38 118.69 2fsf n GLN 695 Ca 0.18 0.42 -0.24 0.00 -0.01 0.00 0.00 57.00 57.35 2fsf n GLN 695 Cb 0.35 -3.91 0.01 0.00 1.02 0.00 0.00 30.24 27.70 2fsf n GLN 695 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2fsf s SER 696 N -2.62 5.92 1.10 1.08 1.04 -0.85 -5.12 113.70 114.24 2fsf s SER 696 Ca 0.00 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 2fsf s SER 696 Cb 0.00 -1.72 0.25 0.00 0.10 0.00 0.00 66.02 64.65 2fsf s SER 696 CO 0.00 -0.68 1.19 -0.76 0.98 0.00 0.00 173.24 173.96 2fsf s LEU 697 N -4.61 1.50 0.38 2.42 1.43 -1.26 -4.93 118.68 113.62 2fsf s LEU 697 Ca 0.48 0.53 0.21 0.00 -1.03 0.00 0.00 54.13 54.31 2fsf s LEU 697 Cb -0.10 -2.41 0.25 0.00 0.03 0.00 0.00 46.19 43.96 2fsf s LEU 697 CO 0.40 -3.53 1.54 -0.33 0.23 0.00 0.00 176.35 174.66 2fsf h GLU 698 N -2.18 0.00 0.00 1.70 5.08 -1.99 0.17 114.58 117.36 2fsf h GLU 698 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2fsf h GLU 698 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2fsf h GLU 698 CO 0.37 0.14 -0.02 1.49 -1.00 0.00 0.00 179.01 180.00 2fsf h GLU 699 N 0.00 0.00 -0.00 2.33 4.81 -2.03 -0.72 114.58 118.96 2fsf h GLU 699 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2fsf h GLU 699 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2fsf h GLU 699 CO 0.02 0.02 -0.20 -1.33 -0.73 0.00 0.00 179.01 176.79 2fsf n MET 700 N -3.30 0.44 -2.63 1.92 0.00 0.59 -4.92 117.12 109.22 2fsf n MET 700 Ca -0.02 -0.18 -0.39 0.00 0.00 0.00 0.00 57.70 57.11 2fsf n MET 700 Cb 0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.80 2fsf n MET 700 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2fsf s TRP 701 N -2.68 3.72 -0.80 2.03 0.51 -0.28 -4.65 118.94 116.79 2fsf s TRP 701 Ca 0.22 1.79 0.02 0.00 -2.12 0.00 0.00 56.10 56.01 2fsf s TRP 701 Cb 0.19 -3.10 0.21 0.00 -0.81 0.00 0.00 33.47 29.96 2fsf s TRP 701 CO 0.54 -0.06 0.70 -3.47 -0.51 0.00 0.00 176.95 174.15 2fsf n ASP 702 N 1.09 3.80 -0.05 2.95 2.03 -0.30 -4.95 116.55 121.12 2fsf n ASP 702 Ca -0.00 -3.22 -0.16 0.00 0.52 0.00 0.00 54.79 51.93 2fsf n ASP 702 Cb 0.47 -0.90 -0.06 0.00 -0.72 0.00 0.00 41.12 39.91 2fsf n ASP 702 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2fsf h ILE 703 N 4.03 1.29 -0.99 5.18 1.08 -1.94 -1.65 117.51 124.52 2fsf h ILE 703 Ca 0.16 -1.81 0.11 0.00 -0.39 0.00 0.00 64.86 62.93 2fsf h ILE 703 Cb 0.76 1.86 -0.08 0.00 -3.07 0.00 0.00 36.82 36.29 2fsf h ILE 703 CO 0.82 0.58 0.63 -0.65 -0.69 0.00 0.00 178.15 178.84 2fsf h PRO 704 N 0.50 0.99 -0.70 2.37 0.11 -1.99 0.71 132.00 133.99 2fsf h PRO 704 Ca -0.02 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 2fsf h PRO 704 Cb 1.22 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2fsf h PRO 704 CO 0.13 0.65 0.28 0.78 -0.21 0.00 0.00 178.00 179.64 2fsf h GLY 705 N 1.02 1.11 1.57 -0.55 0.00 -1.95 -1.98 103.07 102.29 2fsf h GLY 705 Ca 0.47 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 2fsf h GLY 705 CO -0.23 0.55 -0.76 -2.00 0.00 0.00 0.00 176.54 174.10 2fsf h LEU 706 N 1.02 0.50 -0.39 3.11 5.85 -0.61 -1.99 115.31 122.79 2fsf h LEU 706 Ca 0.24 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2fsf h LEU 706 Cb 0.19 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2fsf h LEU 706 CO -0.02 1.09 -0.03 1.56 -0.34 0.00 0.00 178.44 180.70 2fsf h GLN 707 N 0.27 0.71 -0.38 1.25 4.20 0.57 -2.42 115.11 119.32 2fsf h GLN 707 Ca -0.04 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.33 2fsf h GLN 707 Cb 1.35 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2fsf h GLN 707 CO 0.13 0.82 -0.15 0.93 -0.67 0.00 0.00 178.83 179.89 2fsf h GLU 708 N 0.53 0.77 -0.54 1.46 3.07 -1.39 -2.56 114.58 115.92 2fsf h GLU 708 Ca 0.11 -0.32 -0.06 0.00 -0.50 0.00 0.00 59.36 58.58 2fsf h GLU 708 Cb 0.52 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2fsf h GLU 708 CO 0.03 0.94 0.09 -0.09 -1.40 0.00 0.00 179.01 178.57 2fsf h ARG 709 N 0.57 0.86 -0.75 2.33 9.65 -1.31 0.71 114.38 126.44 2fsf h ARG 709 Ca 0.09 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 2fsf h ARG 709 Cb 0.69 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 2fsf h ARG 709 CO 0.05 0.80 0.29 -0.07 2.80 0.00 0.00 179.97 183.84 2fsf h LEU 710 N 0.82 1.04 0.32 3.80 3.38 -1.44 0.05 115.31 123.28 2fsf h LEU 710 Ca 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2fsf h LEU 710 Cb 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2fsf h LEU 710 CO 0.01 0.94 -0.15 0.11 0.09 0.00 0.00 178.44 179.43 2fsf h LYS 711 N 1.10 -0.42 0.18 1.13 1.57 -0.74 0.25 116.57 119.64 2fsf h LYS 711 Ca 0.25 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2fsf h LYS 711 Cb 0.23 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2fsf h LYS 711 CO -0.02 -0.10 -0.09 -0.91 -0.57 0.00 0.00 179.45 177.77 2fsf h ASN 712 N -0.78 -0.20 0.37 0.86 2.35 0.42 -1.29 115.58 117.29 2fsf h ASN 712 Ca -0.04 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2fsf h ASN 712 Cb 0.51 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2fsf h ASN 712 CO 0.07 -0.02 -0.70 0.47 -1.65 0.00 0.00 177.43 175.60 2fsf n ASP 713 N -5.13 0.65 0.00 5.81 10.43 0.00 -4.52 116.55 123.79 2fsf n ASP 713 Ca -0.09 -0.44 0.00 0.00 2.57 0.00 0.00 54.79 56.83 2fsf n ASP 713 Cb 0.17 0.51 0.00 0.00 1.84 0.00 0.00 41.12 43.64 2fsf n ASP 713 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2fsf n PHE 714 N -1.57 0.00 -2.56 1.24 3.72 -0.77 -4.53 117.46 112.99 2fsf n PHE 714 Ca 0.05 -0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 2fsf n PHE 714 Cb 0.35 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 2fsf n PHE 714 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2fsf n ASP 715 N -0.00 -4.65 -3.75 4.37 -0.08 -0.31 -4.31 116.55 107.82 2fsf n ASP 715 Ca 0.00 -0.12 -0.30 0.00 -1.51 0.00 0.00 54.79 52.87 2fsf n ASP 715 Cb 0.26 -3.64 -0.15 0.00 2.34 0.00 0.00 41.12 39.93 2fsf n ASP 715 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2fsf s LEU 716 N -4.57 2.30 -0.58 -2.67 2.96 0.74 -4.91 118.68 111.95 2fsf s LEU 716 Ca 0.12 -1.61 -0.05 0.00 -0.22 0.00 0.00 54.13 52.36 2fsf s LEU 716 Cb -0.05 -0.89 0.15 0.00 0.50 0.00 0.00 46.19 45.90 2fsf s LEU 716 CO 0.14 -0.40 0.42 -0.62 -1.32 0.00 0.00 176.35 174.57 2fsf s ASP 717 N 1.59 5.51 -0.06 3.68 3.68 -1.26 -2.02 116.67 127.80 2fsf s ASP 717 Ca 0.09 -2.51 0.02 0.00 2.13 0.00 0.00 52.55 52.29 2fsf s ASP 717 Cb -0.17 -1.92 -0.03 0.00 -1.45 0.00 0.00 42.92 39.35 2fsf s ASP 717 CO -0.23 -0.49 -0.11 -0.76 0.13 0.00 0.00 175.17 173.71 2fsf s LEU 718 N 0.46 2.93 -0.22 -1.34 1.43 -1.26 -5.02 118.68 115.66 2fsf s LEU 718 Ca 0.13 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2fsf s LEU 718 Cb -0.21 -1.62 -0.15 0.00 0.03 0.00 0.00 46.19 44.25 2fsf s LEU 718 CO -0.04 0.35 3.30 -0.81 0.23 0.00 0.00 176.35 179.39 2fsf n PRO 719 N 2.24 2.22 -0.20 1.29 -0.04 -1.26 -4.74 135.00 134.52 2fsf n PRO 719 Ca -0.17 -1.53 -0.06 0.00 -0.04 0.00 0.00 63.50 61.70 2fsf n PRO 719 Cb 0.53 -2.08 0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2fsf n PRO 719 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2fsf h ILE 720 N 2.04 1.15 -1.01 0.52 2.04 -1.95 0.17 117.51 120.47 2fsf h ILE 720 Ca 0.29 -0.27 0.18 0.00 1.00 0.00 0.00 64.86 66.05 2fsf h ILE 720 Cb 1.20 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 2fsf h ILE 720 CO 0.51 0.15 0.62 0.00 0.00 0.00 0.00 178.15 179.42 2fsf h ALA 721 N 1.22 1.65 0.01 1.87 0.00 -1.92 -1.56 119.26 120.52 2fsf h ALA 721 Ca 0.22 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 2fsf h ALA 721 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2fsf h ALA 721 CO -0.05 0.00 -0.89 0.93 0.00 0.00 0.00 179.25 179.24 2fsf h GLU 722 N 0.81 0.09 0.23 0.00 5.08 -1.14 -2.81 114.58 116.83 2fsf h GLU 722 Ca 0.57 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2fsf h GLU 722 Cb 0.83 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2fsf h GLU 722 CO -0.36 0.92 -0.11 -1.49 -1.00 0.00 0.00 179.01 176.97 2fsf h TRP 723 N 0.04 -0.28 -0.30 4.33 6.55 -0.19 -1.95 115.95 124.15 2fsf h TRP 723 Ca -0.03 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 2fsf h TRP 723 Cb 1.55 0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 29.93 2fsf h TRP 723 CO 0.01 -0.12 0.12 -0.07 -1.05 0.00 0.00 178.44 177.34 2fsf h LEU 724 N -0.38 0.42 -1.58 -4.49 3.38 -1.39 -1.58 115.31 109.68 2fsf h LEU 724 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2fsf h LEU 724 Cb 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2fsf h LEU 724 CO 0.05 0.47 0.00 -2.24 0.09 0.00 0.00 178.44 176.81 2fsf h ASP 725 N 0.34 0.00 0.02 -0.43 3.04 -1.51 -3.22 116.42 114.67 2fsf h ASP 725 Ca 0.10 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.64 2fsf h ASP 725 Cb 0.18 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.44 2fsf h ASP 725 CO -0.01 0.00 -1.34 0.11 -2.04 0.00 0.00 179.24 175.96 2fsf h LYS 726 N 0.00 0.05 -4.40 4.15 1.57 -0.82 -3.44 116.57 113.67 2fsf h LYS 726 Ca 0.00 -0.08 -0.72 0.00 -1.87 0.00 0.00 60.65 57.98 2fsf h LYS 726 Cb 0.47 0.03 -0.27 0.00 0.08 0.00 0.00 32.23 32.54 2fsf h LYS 726 CO 0.00 1.04 -0.43 -1.83 -0.57 0.00 0.00 179.45 177.65 2fsf s GLU 727 N -2.39 2.65 0.00 3.15 1.03 -0.64 -4.90 118.70 117.60 2fsf s GLU 727 Ca -0.27 -1.49 0.00 0.00 0.03 0.00 0.00 54.97 53.24 2fsf s GLU 727 Cb 0.06 -3.86 0.00 0.00 -0.80 0.00 0.00 34.13 29.53 2fsf s GLU 727 CO 0.62 -1.00 0.51 -0.35 -1.33 0.00 0.00 175.26 173.72 2fsf n PRO 728 N 4.96 0.00 0.11 -4.83 -0.04 -1.26 -2.15 135.00 131.80 2fsf n PRO 728 Ca -0.10 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2fsf n PRO 728 Cb 0.43 -1.54 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 2fsf n PRO 728 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2fsf h GLU 729 N 0.00 0.00 0.00 0.54 5.08 -1.91 -3.45 114.58 114.84 2fsf h GLU 729 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fsf h GLU 729 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2fsf h GLU 729 CO 0.00 0.21 0.00 -0.11 -1.00 0.00 0.00 179.01 178.11 2fsf n LEU 730 N -2.95 0.00 0.00 1.33 -0.00 -0.91 -5.02 117.00 109.45 2fsf n LEU 730 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2fsf n LEU 730 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 2fsf n LEU 730 CO 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.79 2fsf n HIS 731 N 0.00 0.00 -0.36 1.96 1.44 -1.26 -4.58 115.22 112.42 2fsf n HIS 731 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 2fsf n HIS 731 Cb 0.00 -0.81 -0.03 0.00 0.12 0.00 0.00 29.99 29.26 2fsf n HIS 731 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2fsf n GLU 732 N -1.16 -0.31 -0.16 -1.40 2.13 -1.26 -1.75 120.64 116.73 2fsf n GLU 732 Ca 0.00 1.35 -0.04 0.00 0.66 0.00 0.00 57.16 59.13 2fsf n GLU 732 Cb 0.00 -2.00 0.05 0.00 0.27 0.00 0.00 31.44 29.77 2fsf n GLU 732 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2fsf h GLU 733 N 0.00 0.38 0.00 5.31 4.81 -1.99 0.20 114.58 123.29 2fsf h GLU 733 Ca 0.22 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2fsf h GLU 733 Cb 0.44 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2fsf h GLU 733 CO -0.86 0.25 -0.63 1.79 -0.73 0.00 0.00 179.01 178.84 2fsf h THR 734 N 0.39 1.39 0.20 0.32 1.35 -1.69 -2.61 112.91 112.26 2fsf h THR 734 Ca 0.23 -2.21 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 2fsf h THR 734 Cb 0.20 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2fsf h THR 734 CO -0.21 0.62 -0.09 0.25 -0.25 0.00 0.00 175.52 175.84 2fsf h LEU 735 N 0.00 -0.22 -0.98 3.87 6.46 -0.54 -1.63 115.31 122.26 2fsf h LEU 735 Ca -0.01 -0.17 0.27 0.00 -0.12 0.00 0.00 57.88 57.85 2fsf h LEU 735 Cb 1.16 0.06 -0.14 0.00 -0.73 0.00 0.00 40.66 41.01 2fsf h LEU 735 CO 0.08 0.05 0.53 0.03 -0.62 0.00 0.00 178.44 178.52 2fsf h ARG 736 N -0.51 0.41 -0.01 1.25 3.08 -0.97 -1.84 114.38 115.79 2fsf h ARG 736 Ca -0.03 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.76 2fsf h ARG 736 Cb 0.38 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2fsf h ARG 736 CO 0.04 0.27 -0.96 0.93 -1.07 0.00 0.00 179.97 179.18 2fsf h GLU 737 N 0.42 0.53 -0.08 0.04 5.08 -1.34 -3.05 114.58 116.18 2fsf h GLU 737 Ca 0.67 -0.56 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2fsf h GLU 737 Cb 1.39 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 2fsf h GLU 737 CO -0.55 1.19 -0.02 0.00 -1.00 0.00 0.00 179.01 178.63 2fsf h ARG 738 N 0.31 0.00 0.09 2.33 3.08 -0.54 -0.53 114.38 119.12 2fsf h ARG 738 Ca -0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2fsf h ARG 738 Cb 1.60 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 2fsf h ARG 738 CO 0.18 0.00 -0.10 0.82 -1.07 0.00 0.00 179.97 179.80 2fsf h ILE 739 N 0.00 0.78 -0.03 2.04 2.04 -1.41 -0.65 117.51 120.27 2fsf h ILE 739 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2fsf h ILE 739 Cb 0.06 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2fsf h ILE 739 CO -0.08 0.00 -0.52 0.25 0.00 0.00 0.00 178.15 177.80 2fsf h LEU 740 N -0.21 -1.60 -0.88 1.44 5.85 -1.45 -1.32 115.31 117.13 2fsf h LEU 740 Ca 0.01 0.19 0.23 0.00 0.84 0.00 0.00 57.88 59.14 2fsf h LEU 740 Cb 0.21 0.62 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 2fsf h LEU 740 CO -0.03 -0.51 0.14 0.00 -0.34 0.00 0.00 178.44 177.70 2fsf h ALA 741 N -0.31 1.16 -0.40 1.25 0.00 -0.86 -1.68 119.26 118.42 2fsf h ALA 741 Ca 0.03 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2fsf h ALA 741 Cb 0.70 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2fsf h ALA 741 CO -0.37 -0.49 -0.26 1.96 0.00 0.00 0.00 179.25 180.08 2fsf h GLN 742 N 0.13 0.83 -0.41 0.00 7.50 -0.46 -1.04 115.11 121.66 2fsf h GLN 742 Ca 0.54 -0.36 0.01 0.00 0.50 0.00 0.00 58.65 59.33 2fsf h GLN 742 Cb 1.08 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.56 2fsf h GLN 742 CO -0.72 1.00 0.26 0.66 -1.50 0.00 0.00 178.83 178.53 2fsf h SER 743 N 0.71 0.45 0.33 1.46 4.64 -0.44 -1.67 113.55 119.03 2fsf h SER 743 Ca 0.09 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2fsf h SER 743 Cb 0.80 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2fsf h SER 743 CO 0.07 0.32 -0.19 0.40 -0.87 0.00 0.00 176.83 176.56 2fsf h ILE 744 N 0.54 0.61 -0.98 0.95 2.04 -1.21 -1.71 117.51 117.75 2fsf h ILE 744 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2fsf h ILE 744 Cb -0.04 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 2fsf h ILE 744 CO -0.05 0.00 0.64 -0.33 0.00 0.00 0.00 178.15 178.41 2fsf h GLU 745 N -0.49 1.18 -0.36 2.37 5.08 -1.02 0.25 114.58 121.59 2fsf h GLU 745 Ca -0.04 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2fsf h GLU 745 Cb 0.40 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2fsf h GLU 745 CO 0.05 0.78 0.01 0.28 -1.00 0.00 0.00 179.01 179.13 2fsf h VAL 746 N 1.22 1.20 -0.01 3.13 2.07 -1.16 -1.56 116.25 121.14 2fsf h VAL 746 Ca 0.39 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 2fsf h VAL 746 Cb 0.03 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2fsf h VAL 746 CO -0.13 0.27 -0.47 0.22 0.02 0.00 0.00 177.57 177.49 2fsf h TYR 747 N 0.53 0.49 -0.71 1.57 5.03 -0.12 -2.91 116.97 120.85 2fsf h TYR 747 Ca 0.12 -0.26 0.09 0.00 2.58 0.00 0.00 58.73 61.25 2fsf h TYR 747 Cb 0.33 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.50 2fsf h TYR 747 CO 0.01 1.07 0.47 1.96 -1.32 0.00 0.00 178.16 180.35 2fsf h GLN 748 N -0.23 0.62 -0.28 1.82 4.20 -0.50 -1.42 115.11 119.32 2fsf h GLN 748 Ca -0.06 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2fsf h GLN 748 Cb 1.19 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2fsf h GLN 748 CO 0.09 0.41 0.14 -0.09 -0.67 0.00 0.00 178.83 178.71 2fsf h ARG 749 N 0.63 0.28 -0.69 1.46 2.43 -1.31 -1.36 114.38 115.83 2fsf h ARG 749 Ca 0.32 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2fsf h ARG 749 Cb 0.42 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2fsf h ARG 749 CO -0.11 0.19 0.28 0.87 -1.51 0.00 0.00 179.97 179.69 2fsf h LYS 750 N 0.29 1.03 -0.65 0.20 1.57 -1.09 -2.78 116.57 115.15 2fsf h LYS 750 Ca 0.11 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2fsf h LYS 750 Cb 0.03 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 2fsf h LYS 750 CO -0.08 0.86 0.36 1.49 -0.57 0.00 0.00 179.45 181.51 2fsf h GLU 751 N 0.98 0.64 -0.43 3.15 4.81 -1.23 -2.15 114.58 120.35 2fsf h GLU 751 Ca 0.23 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2fsf h GLU 751 Cb 0.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2fsf h GLU 751 CO -0.02 0.42 0.29 0.93 -0.73 0.00 0.00 179.01 179.90 2fsf h GLU 752 N 0.66 0.30 -0.26 1.92 5.08 -0.96 0.34 114.58 121.66 2fsf h GLU 752 Ca 0.29 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 2fsf h GLU 752 Cb 0.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2fsf h GLU 752 CO -0.18 0.20 -0.44 0.28 -1.00 0.00 0.00 179.01 177.86 2fsf h VAL 753 N 0.31 1.30 0.03 3.13 2.07 -1.29 -3.38 116.25 118.42 2fsf h VAL 753 Ca 0.19 -1.64 -0.36 0.00 0.82 0.00 0.00 66.70 65.71 2fsf h VAL 753 Cb 0.35 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2fsf h VAL 753 CO -0.04 0.52 -2.22 0.55 0.02 0.00 0.00 177.57 176.40 2fsf n VAL 754 N -4.15 1.55 0.00 2.57 3.14 -0.95 -5.08 118.33 115.41 2fsf n VAL 754 Ca -0.05 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 2fsf n VAL 754 Cb 0.56 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 2fsf n VAL 754 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2fsf n GLY 755 N 1.94 2.71 0.32 7.55 0.00 0.12 -4.68 105.19 113.15 2fsf n GLY 755 Ca -0.35 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 43.70 2fsf n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fsf h ALA 756 N 0.00 -0.74 -0.95 4.61 0.00 -1.95 -1.88 119.26 118.35 2fsf h ALA 756 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2fsf h ALA 756 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2fsf h ALA 756 CO 0.00 -0.92 0.61 0.93 0.00 0.00 0.00 179.25 179.87 2fsf h GLU 757 N -0.74 1.08 -0.61 0.00 5.08 -1.96 0.26 114.58 117.69 2fsf h GLU 757 Ca -0.07 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2fsf h GLU 757 Cb 0.58 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2fsf h GLU 757 CO 0.11 0.71 0.18 1.98 -1.00 0.00 0.00 179.01 180.98 2fsf h MET 758 N 1.11 0.93 -0.12 2.33 4.05 -1.81 -2.68 114.93 118.74 2fsf h MET 758 Ca 0.41 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 2fsf h MET 758 Cb 0.15 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2fsf h MET 758 CO -0.17 0.81 -0.02 0.52 0.23 0.00 0.00 176.91 178.28 2fsf h MET 759 N 0.90 0.23 -0.94 0.39 2.86 -0.00 -1.00 114.93 117.35 2fsf h MET 759 Ca 0.20 -0.08 0.13 0.00 -2.06 0.00 0.00 59.70 57.89 2fsf h MET 759 Cb 0.28 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 2fsf h MET 759 CO -0.01 0.52 0.60 0.00 1.06 0.00 0.00 176.91 179.08 2fsf h ARG 760 N -0.08 0.82 0.06 1.72 2.47 -0.47 -0.12 114.38 118.77 2fsf h ARG 760 Ca 0.03 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.41 2fsf h ARG 760 Cb 0.43 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2fsf h ARG 760 CO 0.01 0.54 -1.53 0.45 0.56 0.00 0.00 179.97 180.00 2fsf h HIS 761 N 0.84 0.22 -0.91 3.04 3.86 -1.37 -2.15 115.15 118.68 2fsf h HIS 761 Ca 0.47 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 2fsf h HIS 761 Cb 0.60 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2fsf h HIS 761 CO -0.00 1.22 0.51 0.35 0.86 0.00 0.00 177.93 180.87 2fsf h PHE 762 N 0.03 1.24 -0.23 2.45 3.57 -0.89 -0.53 116.94 122.58 2fsf h PHE 762 Ca -0.23 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 2fsf h PHE 762 Cb 1.97 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 2fsf h PHE 762 CO 0.03 0.85 0.12 0.93 -2.23 0.00 0.00 178.31 178.01 2fsf h GLU 763 N 1.27 0.32 0.44 1.11 5.08 -0.84 0.11 114.58 122.07 2fsf h GLU 763 Ca 0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2fsf h GLU 763 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2fsf h GLU 763 CO -0.05 0.32 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.84 2fsf h LYS 764 N 0.25 -0.57 -0.73 2.33 3.64 -1.15 -1.25 116.57 119.09 2fsf h LYS 764 Ca 0.08 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2fsf h LYS 764 Cb 0.09 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 31.92 2fsf h LYS 764 CO -0.01 -0.38 -0.47 0.78 -2.27 0.00 0.00 179.45 177.10 2fsf h GLY 765 N -0.59 -0.48 0.53 5.01 0.00 -1.00 -1.43 103.07 105.10 2fsf h GLY 765 Ca -0.06 0.62 0.09 0.00 0.00 0.00 0.00 47.33 47.98 2fsf h GLY 765 CO 0.09 -0.12 0.48 -2.08 0.00 0.00 0.00 176.54 174.91 2fsf h VAL 766 N -0.15 0.91 -0.81 4.60 2.07 -0.55 -1.40 116.25 120.93 2fsf h VAL 766 Ca 0.20 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2fsf h VAL 766 Cb 0.54 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2fsf h VAL 766 CO -0.79 0.15 0.48 0.24 0.02 0.00 0.00 177.57 177.66 2fsf h MET 767 N 0.80 1.12 -0.00 1.57 2.07 -0.30 -0.90 114.93 119.29 2fsf h MET 767 Ca 0.40 -0.11 -0.13 0.00 -2.07 0.00 0.00 59.70 57.78 2fsf h MET 767 Cb 0.36 -0.23 0.01 0.00 -1.87 0.00 0.00 31.60 29.87 2fsf h MET 767 CO -0.24 0.80 -0.52 -0.07 1.07 0.00 0.00 176.91 177.94 2fsf h LEU 768 N 1.12 0.47 -0.80 1.22 3.38 -1.09 -0.07 115.31 119.54 2fsf h LEU 768 Ca 0.29 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2fsf h LEU 768 Cb -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2fsf h LEU 768 CO -0.05 1.17 0.35 -0.61 0.09 0.00 0.00 178.44 179.39 2fsf h GLN 769 N -0.19 1.17 -0.27 1.13 4.15 -1.25 -0.33 115.11 119.53 2fsf h GLN 769 Ca -0.06 -0.19 -0.18 0.00 0.77 0.00 0.00 58.65 58.99 2fsf h GLN 769 Cb 1.25 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2fsf h GLN 769 CO 0.10 0.93 -0.52 1.15 -1.93 0.00 0.00 178.83 178.56 2fsf h THR 770 N 1.15 1.28 -0.01 2.39 2.02 -1.13 -2.07 112.91 116.54 2fsf h THR 770 Ca 0.27 -1.71 0.03 0.00 0.77 0.00 0.00 66.41 65.77 2fsf h THR 770 Cb 0.16 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2fsf h THR 770 CO -0.03 0.55 -0.22 0.25 0.37 0.00 0.00 175.52 176.44 2fsf h LEU 771 N 0.60 -0.66 -0.77 2.58 6.46 -0.77 -2.07 115.31 120.67 2fsf h LEU 771 Ca 0.01 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 2fsf h LEU 771 Cb 1.13 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 41.27 2fsf h LEU 771 CO 0.12 -0.29 0.42 0.44 -0.62 0.00 0.00 178.44 178.50 2fsf h ASP 772 N -0.35 0.57 -0.33 1.25 3.32 -1.01 0.05 116.42 119.94 2fsf h ASP 772 Ca 0.06 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2fsf h ASP 772 Cb 0.43 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2fsf h ASP 772 CO -0.21 0.33 -0.31 0.28 -1.72 0.00 0.00 179.24 177.60 2fsf h SER 773 N 0.70 0.84 0.26 6.45 0.02 -1.07 -0.60 113.55 120.14 2fsf h SER 773 Ca 0.38 -0.47 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 2fsf h SER 773 Cb 0.37 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2fsf h SER 773 CO -0.26 1.13 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.06 2fsf h LEU 774 N 0.56 0.24 -0.09 5.07 3.38 -1.05 -2.62 115.31 120.80 2fsf h LEU 774 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2fsf h LEU 774 Cb 0.89 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2fsf h LEU 774 CO 0.08 0.65 -0.01 -0.25 0.09 0.00 0.00 178.44 179.00 2fsf h TRP 775 N 0.19 0.19 -0.79 1.13 -0.00 -0.78 0.29 115.95 116.18 2fsf h TRP 775 Ca 0.01 -0.04 0.13 0.00 -0.00 0.00 0.00 58.89 59.00 2fsf h TRP 775 Cb 0.85 -0.05 -0.09 0.00 -0.00 0.00 0.00 29.16 29.87 2fsf h TRP 775 CO 0.01 0.46 0.37 1.57 -0.00 0.00 0.00 178.44 180.86 2fsf h LYS 776 N -0.14 0.54 -0.40 2.65 2.10 -1.09 0.15 116.57 120.38 2fsf h LYS 776 Ca 0.02 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 2fsf h LYS 776 Cb 0.39 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2fsf h LYS 776 CO 0.01 0.36 0.04 1.49 -2.00 0.00 0.00 179.45 179.35 2fsf h GLU 777 N 0.56 0.68 -0.49 0.07 4.81 -1.35 -2.42 114.58 116.44 2fsf h GLU 777 Ca 0.42 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2fsf h GLU 777 Cb 0.59 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2fsf h GLU 777 CO -0.36 0.75 0.26 1.25 -0.73 0.00 0.00 179.01 180.18 2fsf h HIS 778 N 0.53 0.69 -0.77 0.92 2.76 0.25 -2.24 115.15 117.28 2fsf h HIS 778 Ca 0.12 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.39 2fsf h HIS 778 Cb 0.41 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.10 2fsf h HIS 778 CO 0.03 0.52 0.50 -0.07 -1.30 0.00 0.00 177.93 177.62 2fsf h LEU 779 N 0.65 0.53 -0.08 0.26 3.38 -0.48 0.16 115.31 119.73 2fsf h LEU 779 Ca 0.17 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2fsf h LEU 779 Cb 0.08 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2fsf h LEU 779 CO -0.03 0.30 -0.67 0.00 0.09 0.00 0.00 178.44 178.13 2fsf h ALA 780 N 1.63 0.19 -0.50 1.53 0.00 -1.12 -2.12 119.26 118.88 2fsf h ALA 780 Ca 0.37 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2fsf h ALA 780 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2fsf h ALA 780 CO -0.13 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.46 2fsf h ALA 781 N 0.45 0.78 -0.42 0.00 0.00 -0.93 -1.69 119.26 117.46 2fsf h ALA 781 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2fsf h ALA 781 Cb 1.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2fsf h ALA 781 CO 0.14 0.66 0.27 0.52 0.00 0.00 0.00 179.25 180.84 2fsf h MET 782 N 0.85 0.56 -0.52 0.00 2.07 -0.69 -0.12 114.93 117.07 2fsf h MET 782 Ca 0.12 -0.04 0.06 0.00 -2.07 0.00 0.00 59.70 57.78 2fsf h MET 782 Cb 0.71 -0.12 -0.09 0.00 -1.87 0.00 0.00 31.60 30.23 2fsf h MET 782 CO 0.05 0.39 -0.53 0.22 1.07 0.00 0.00 176.91 178.12 2fsf h ASP 783 N 0.56 -1.80 -0.19 1.22 3.58 -1.21 -0.23 116.42 118.36 2fsf h ASP 783 Ca 0.15 0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.82 2fsf h ASP 783 Cb -0.03 0.76 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2fsf h ASP 783 CO -0.03 -0.37 0.00 1.88 -2.88 0.00 0.00 179.24 177.85 2fsf h TYR 784 N -0.31 0.46 -0.11 0.28 0.99 -0.89 -1.62 116.97 115.77 2fsf h TYR 784 Ca 0.11 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 2fsf h TYR 784 Cb 0.57 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 38.16 2fsf h TYR 784 CO -0.76 0.46 0.03 1.25 -0.00 0.00 0.00 178.16 179.14 2fsf h LEU 785 N 0.44 0.17 -0.59 3.88 5.85 -0.63 -2.17 115.31 122.25 2fsf h LEU 785 Ca 0.10 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2fsf h LEU 785 Cb 0.28 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2fsf h LEU 785 CO 0.01 0.35 0.29 -0.09 -0.34 0.00 0.00 178.44 178.66 2fsf h ARG 786 N -0.02 0.85 0.00 1.25 2.43 -0.67 -2.43 114.38 115.78 2fsf h ARG 786 Ca 0.03 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2fsf h ARG 786 Cb 0.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2fsf h ARG 786 CO 0.00 0.68 -0.27 -0.56 -1.51 0.00 0.00 179.97 178.32 2fsf h GLN 787 N 0.80 0.00 0.00 0.20 3.07 -1.30 -2.55 115.11 115.33 2fsf h GLN 787 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 2fsf h GLN 787 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 2fsf h GLN 787 CO -0.03 0.27 0.00 0.41 0.09 0.00 0.00 178.83 179.57 2fsf n GLY 788 N -0.36 -0.54 2.13 0.06 0.00 -0.82 -4.45 105.19 101.21 2fsf n GLY 788 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2fsf n GLY 788 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2fsf n ILE 789 N -0.54 3.48 -1.97 -0.61 0.13 -0.96 -3.37 119.36 115.52 2fsf n ILE 789 Ca 0.01 -1.90 0.00 0.00 -1.10 0.00 0.00 62.75 59.76 2fsf n ILE 789 Cb 0.01 -2.24 0.00 0.00 -0.84 0.00 0.00 39.64 36.57 2fsf n ILE 789 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2fsf n HIS 790 N 2.94 0.00 -0.92 9.51 8.25 -1.26 -5.00 115.22 128.74 2fsf n HIS 790 Ca 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2fsf n HIS 790 Cb 0.64 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.86 2fsf n HIS 790 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2fsf n LEU 791 N 0.00 0.00 -0.08 2.41 4.77 -1.22 -5.06 117.00 117.83 2fsf n LEU 791 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2fsf n LEU 791 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2fsf n LEU 791 CO 0.00 0.00 -0.41 0.54 -1.33 0.00 0.00 177.39 176.19 2fsf n ARG 792 N 0.00 0.47 -3.28 3.23 1.74 -1.26 -4.89 116.66 112.67 2fsf n ARG 792 Ca 0.00 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 2fsf n ARG 792 Cb 0.00 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.68 2fsf n ARG 792 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2fsf s GLY 793 N -4.40 1.84 0.00 -0.13 0.00 -1.26 -4.99 107.32 98.39 2fsf s GLY 793 Ca -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2fsf s GLY 793 CO 0.29 1.23 0.00 1.58 0.00 0.00 0.00 173.10 176.20 2fsf n TYR 794 N 5.72 0.00 -1.51 1.90 4.11 -1.25 -4.18 117.16 121.94 2fsf n TYR 794 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.48 2fsf n TYR 794 Cb 0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.69 2fsf n TYR 794 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2fsf n ALA 795 N -3.00 0.51 -0.02 -3.48 0.00 -1.26 -3.52 120.51 109.74 2fsf n ALA 795 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2fsf n ALA 795 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 16.92 2fsf n ALA 795 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fsf n GLN 796 N 8.19 0.00 -1.44 0.00 1.13 -1.26 -4.96 117.38 119.05 2fsf n GLN 796 Ca 0.59 0.00 -0.50 0.00 -1.94 0.00 0.00 57.00 55.15 2fsf n GLN 796 Cb 0.17 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.48 2fsf n GLN 796 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2fsf n LYS 797 N 0.00 0.11 -2.40 -1.09 4.01 -1.23 -4.90 118.16 112.66 2fsf n LYS 797 Ca 0.00 0.04 -0.41 0.00 -0.51 0.00 0.00 58.31 57.43 2fsf n LYS 797 Cb 0.00 -1.17 -0.03 0.00 -0.51 0.00 0.00 35.03 33.31 2fsf n LYS 797 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2fsf s ASP 798 N -0.75 7.11 0.96 4.39 2.15 -1.26 -3.88 116.67 125.39 2fsf s ASP 798 Ca 0.69 2.19 -0.16 0.00 0.43 0.00 0.00 52.55 55.70 2fsf s ASP 798 Cb -0.98 -2.60 0.20 0.00 -0.30 0.00 0.00 42.92 39.23 2fsf s ASP 798 CO 0.56 -0.37 1.32 -2.16 -0.17 0.00 0.00 175.17 174.35 2fsf s PRO 799 N -0.08 0.67 0.61 4.34 0.04 -1.26 -2.70 135.00 136.63 2fsf s PRO 799 Ca 0.53 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2fsf s PRO 799 Cb -0.32 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2fsf s PRO 799 CO 0.35 -2.40 0.00 1.17 0.04 0.00 0.00 177.00 176.17 2fsf n LYS 800 N -3.76 -3.39 0.00 4.56 4.81 -1.26 -4.64 118.16 114.47 2fsf n LYS 800 Ca 0.15 2.76 0.00 0.00 -0.87 0.00 0.00 58.31 60.35 2fsf n LYS 800 Cb 0.59 -3.89 0.00 0.00 0.02 0.00 0.00 35.03 31.76 2fsf n LYS 800 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2fsf n GLN 801 N -4.14 0.00 0.00 1.64 -0.06 -1.26 -3.71 117.38 109.85 2fsf n GLN 801 Ca -0.08 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.85 2fsf n GLN 801 Cb 0.65 0.00 0.12 0.00 -4.06 0.00 0.00 30.24 26.95 2fsf n GLN 801 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2fsf h GLU 802 N 0.00 0.54 -0.43 3.69 4.57 -1.77 -1.99 114.58 119.18 2fsf h GLU 802 Ca 0.00 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.82 2fsf h GLU 802 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2fsf h GLU 802 CO 0.00 0.85 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.68 2fsf h TYR 803 N 0.44 0.90 -0.72 0.92 3.20 -1.84 -0.26 116.97 119.60 2fsf h TYR 803 Ca 0.04 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.75 2fsf h TYR 803 Cb 0.89 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 2fsf h TYR 803 CO 0.03 0.90 0.48 0.87 -1.64 0.00 0.00 178.16 178.81 2fsf h LYS 804 N 0.63 0.88 0.04 1.82 1.57 -1.80 0.15 116.57 119.87 2fsf h LYS 804 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2fsf h LYS 804 Cb 0.60 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2fsf h LYS 804 CO 0.04 0.58 -0.02 0.00 -0.57 0.00 0.00 179.45 179.48 2fsf h ARG 805 N 0.91 -0.05 -0.99 3.15 3.08 -0.75 -1.18 114.38 118.54 2fsf h ARG 805 Ca 0.28 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.39 2fsf h ARG 805 Cb 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2fsf h ARG 805 CO -0.08 0.36 0.65 0.93 -1.07 0.00 0.00 179.97 180.76 2fsf h GLU 806 N -0.48 1.18 -0.20 0.04 5.08 -0.89 -1.01 114.58 118.29 2fsf h GLU 806 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2fsf h GLU 806 Cb 0.44 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2fsf h GLU 806 CO 0.01 0.78 0.07 0.77 -1.00 0.00 0.00 179.01 179.64 2fsf h SER 807 N 1.21 0.29 -0.10 1.42 0.02 -0.66 -0.29 113.55 115.45 2fsf h SER 807 Ca 0.41 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2fsf h SER 807 Cb 0.08 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2fsf h SER 807 CO -0.15 0.39 0.02 0.15 -1.14 0.00 0.00 176.83 176.11 2fsf h PHE 808 N 0.17 0.04 -0.56 3.45 3.04 -1.06 -1.28 116.94 120.74 2fsf h PHE 808 Ca 0.07 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.12 2fsf h PHE 808 Cb 0.20 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 38.63 2fsf h PHE 808 CO -0.01 0.02 0.13 0.77 -2.02 0.00 0.00 178.31 177.21 2fsf h SER 809 N 0.07 0.03 -0.09 0.41 0.02 -1.08 -0.87 113.55 112.05 2fsf h SER 809 Ca 0.04 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2fsf h SER 809 Cb 0.03 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2fsf h SER 809 CO -0.05 0.03 -0.52 -0.03 -1.14 0.00 0.00 176.83 175.13 2fsf h MET 810 N 0.27 0.66 -0.48 3.45 1.85 -0.86 -2.19 114.93 117.64 2fsf h MET 810 Ca 0.29 -0.40 -0.08 0.00 -0.61 0.00 0.00 59.70 58.89 2fsf h MET 810 Cb 0.40 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 2fsf h MET 810 CO -0.36 1.02 -0.03 0.35 -0.40 0.00 0.00 176.91 177.49 2fsf h PHE 811 N 0.51 0.95 -0.65 1.39 3.57 -1.07 -0.91 116.94 120.74 2fsf h PHE 811 Ca 0.02 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.40 2fsf h PHE 811 Cb 1.08 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 2fsf h PHE 811 CO 0.05 0.91 0.35 0.00 -2.23 0.00 0.00 178.31 177.39 2fsf h ALA 812 N 0.91 0.87 -0.48 2.41 0.00 -1.07 -1.86 119.26 120.04 2fsf h ALA 812 Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2fsf h ALA 812 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2fsf h ALA 812 CO 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 2fsf h ALA 813 N 1.35 0.84 -0.30 0.00 0.00 -1.26 -2.55 119.26 117.34 2fsf h ALA 813 Ca 0.29 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2fsf h ALA 813 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fsf h ALA 813 CO -0.19 0.65 -0.05 1.98 0.00 0.00 0.00 179.25 181.64 2fsf h MET 814 N 0.81 0.47 0.00 0.00 -1.53 -0.71 -0.34 114.93 113.64 2fsf h MET 814 Ca 0.12 -0.11 -0.12 0.00 -3.44 0.00 0.00 59.70 56.16 2fsf h MET 814 Cb 0.68 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.65 2fsf h MET 814 CO 0.05 0.54 -0.57 -0.07 0.14 0.00 0.00 176.91 177.00 2fsf h LEU 815 N 0.45 0.00 0.05 3.39 3.38 -0.95 -0.26 115.31 121.37 2fsf h LEU 815 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 2fsf h LEU 815 Cb 0.37 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.14 2fsf h LEU 815 CO 0.02 0.57 -1.00 -0.33 0.09 0.00 0.00 178.44 177.79 2fsf h GLU 816 N 0.00 0.59 -0.66 1.13 4.39 -1.16 -3.03 114.58 115.84 2fsf h GLU 816 Ca -0.01 -0.70 0.08 0.00 0.34 0.00 0.00 59.36 59.07 2fsf h GLU 816 Cb 1.24 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 30.04 2fsf h GLU 816 CO 0.07 1.29 0.33 0.77 -1.16 0.00 0.00 179.01 180.31 2fsf h SER 817 N 0.20 0.43 -0.38 1.42 0.02 -0.91 -2.10 113.55 112.23 2fsf h SER 817 Ca -0.14 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2fsf h SER 817 Cb 1.68 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 64.12 2fsf h SER 817 CO 0.19 0.26 -0.11 0.25 -1.14 0.00 0.00 176.83 176.28 2fsf h LEU 818 N 0.58 -0.40 0.20 5.07 5.85 -1.04 0.26 115.31 125.82 2fsf h LEU 818 Ca 0.32 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 2fsf h LEU 818 Cb 0.30 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2fsf h LEU 818 CO -0.24 -0.14 -0.09 0.11 -0.34 0.00 0.00 178.44 177.73 2fsf h LYS 819 N -0.03 -0.25 -0.39 1.25 1.57 -1.39 -2.31 116.57 115.01 2fsf h LYS 819 Ca 0.18 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 2fsf h LYS 819 Cb 0.30 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2fsf h LYS 819 CO -0.40 -0.14 -0.11 -0.92 -0.57 0.00 0.00 179.45 177.31 2fsf h TYR 820 N -0.29 -0.24 -0.44 -1.35 3.20 -0.89 -2.20 116.97 114.75 2fsf h TYR 820 Ca -0.03 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 2fsf h TYR 820 Cb 0.23 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2fsf h TYR 820 CO -0.06 -0.18 -0.20 0.93 -1.64 0.00 0.00 178.16 177.01 2fsf h GLU 821 N -0.02 0.86 0.08 1.82 4.39 -0.89 0.32 114.58 121.15 2fsf h GLU 821 Ca 0.19 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 2fsf h GLU 821 Cb 0.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2fsf h GLU 821 CO -0.41 0.98 -0.04 0.28 -1.16 0.00 0.00 179.01 178.66 2fsf h VAL 822 N 0.75 0.97 -0.50 3.13 2.07 -1.25 -0.60 116.25 120.83 2fsf h VAL 822 Ca 0.11 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 2fsf h VAL 822 Cb 0.73 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2fsf h VAL 822 CO 0.06 0.05 -0.16 0.40 0.02 0.00 0.00 177.57 177.93 2fsf h ILE 823 N -0.20 1.27 -0.42 4.57 1.08 -1.23 -1.37 117.51 121.21 2fsf h ILE 823 Ca -0.01 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.21 2fsf h ILE 823 Cb 0.17 1.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.92 2fsf h ILE 823 CO 0.02 0.46 0.01 -1.28 -0.69 0.00 0.00 178.15 176.67 2fsf h SER 824 N 0.86 -0.15 0.01 1.72 0.87 -0.17 -0.35 113.55 116.34 2fsf h SER 824 Ca 0.12 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2fsf h SER 824 Cb 0.74 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2fsf h SER 824 CO 0.06 -0.04 -0.00 0.74 -0.53 0.00 0.00 176.83 177.05 2fsf h THR 825 N 0.12 1.00 -0.13 2.23 2.02 -0.75 -1.11 112.91 116.29 2fsf h THR 825 Ca 0.21 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 2fsf h THR 825 Cb 0.29 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2fsf h THR 825 CO -0.34 0.01 -0.09 -0.07 0.37 0.00 0.00 175.52 175.41 2fsf h LEU 826 N -0.03 0.18 -0.43 2.58 3.38 -1.19 -0.49 115.31 119.31 2fsf h LEU 826 Ca -0.00 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2fsf h LEU 826 Cb 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2fsf h LEU 826 CO 0.00 0.30 -0.73 0.28 0.09 0.00 0.00 178.44 178.39 2fsf h SER 827 N 0.19 0.42 0.75 -0.43 0.02 -0.89 -3.33 113.55 110.28 2fsf h SER 827 Ca 0.04 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2fsf h SER 827 Cb 0.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2fsf h SER 827 CO 0.01 1.01 -0.65 0.29 -1.14 0.00 0.00 176.83 176.35 2fsf n LYS 828 N -3.82 0.24 -1.68 3.45 5.02 -0.44 -4.63 118.16 116.30 2fsf n LYS 828 Ca -0.04 0.06 -0.45 0.00 -2.02 0.00 0.00 58.31 55.86 2fsf n LYS 828 Cb 0.70 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 2fsf n LYS 828 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2fsf n VAL 829 N -1.98 0.53 -2.78 -0.18 3.14 -0.23 -4.88 118.33 111.95 2fsf n VAL 829 Ca 0.03 -0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 2fsf n VAL 829 Cb 0.42 -2.02 -0.03 0.00 -1.06 0.00 0.00 33.84 31.14 2fsf n VAL 829 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2fsf s GLN 830 N 3.57 4.28 -0.12 1.45 -0.21 -1.26 -5.02 119.66 122.35 2fsf s GLN 830 Ca 0.88 1.18 0.01 0.00 0.02 0.00 0.00 55.36 57.45 2fsf s GLN 830 Cb -0.57 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 29.83 2fsf s GLN 830 CO 0.44 -0.47 -0.17 0.08 -2.12 0.00 0.00 175.29 173.05 2fsf s VAL 831 N 2.63 2.67 -0.28 1.09 1.01 -1.26 -5.09 120.40 121.18 2fsf s VAL 831 Ca 0.41 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2fsf s VAL 831 Cb -0.16 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 2fsf s VAL 831 CO 0.10 0.53 2.26 -1.14 0.00 0.00 0.00 175.10 176.85 2fsf n ARG 832 N 3.62 1.71 -2.97 2.72 0.00 -1.26 -4.96 116.66 115.51 2fsf n ARG 832 Ca -0.19 0.42 -0.41 0.00 -0.00 0.00 0.00 57.85 57.67 2fsf n ARG 832 Cb 0.53 -3.18 -0.05 0.00 0.00 0.00 0.00 32.46 29.75 2fsf n ARG 832 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2fsf s MET 833 N 6.69 4.22 0.00 -0.14 -1.94 -1.26 -5.07 119.30 121.80 2fsf s MET 833 Ca 1.02 0.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.84 2fsf s MET 833 Cb -0.37 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 32.87 2fsf s MET 833 CO 0.35 -0.37 0.00 -2.30 -0.01 0.00 0.00 175.02 172.70