#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fsh h ASN 14 N 0.00 0.66 -0.77 6.15 -1.24 -1.99 -2.33 115.58 116.07 2fsh h ASN 14 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2fsh h ASN 14 Cb 0.00 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 2fsh h ASN 14 CO 0.00 0.99 0.48 -2.24 -1.29 0.00 0.00 177.43 175.37 2fsh h ASP 15 N 0.51 0.90 -0.01 1.15 2.03 -1.98 -1.41 116.42 117.61 2fsh h ASP 15 Ca 0.04 -0.05 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 2fsh h ASP 15 Cb 0.93 -0.23 0.02 0.00 -0.83 0.00 0.00 39.33 39.21 2fsh h ASP 15 CO 0.08 0.68 -0.95 0.03 -1.03 0.00 0.00 179.24 178.06 2fsh h ARG 16 N 1.04 0.71 0.06 4.15 2.47 -1.95 -1.62 114.38 119.23 2fsh h ARG 16 Ca 0.28 -0.69 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 2fsh h ARG 16 Cb -0.07 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2fsh h ARG 16 CO -0.06 1.28 -0.07 1.15 0.56 0.00 0.00 179.97 182.84 2fsh h THR 17 N 0.43 0.85 -0.46 2.04 2.02 -1.33 -2.43 112.91 114.02 2fsh h THR 17 Ca -0.10 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2fsh h THR 17 Cb 1.59 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 2fsh h THR 17 CO 0.19 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 176.02 2fsh h LEU 18 N -0.14 0.72 -0.32 2.58 3.38 -1.30 -1.06 115.31 119.17 2fsh h LEU 18 Ca 0.01 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2fsh h LEU 18 Cb 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2fsh h LEU 18 CO -0.03 0.78 0.09 0.03 0.09 0.00 0.00 178.44 179.41 2fsh h ARG 19 N 0.71 0.21 -0.37 1.13 3.08 -1.18 0.21 114.38 118.17 2fsh h ARG 19 Ca 0.14 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2fsh h ARG 19 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2fsh h ARG 19 CO 0.02 0.14 -0.34 -0.09 -1.07 0.00 0.00 179.97 178.63 2fsh h ARG 20 N 0.22 0.88 -0.26 0.04 2.43 -1.24 -2.67 114.38 113.78 2fsh h ARG 20 Ca 0.15 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 2fsh h ARG 20 Cb 0.13 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2fsh h ARG 20 CO -0.17 1.10 -0.34 0.52 -1.51 0.00 0.00 179.97 179.57 2fsh h MET 21 N 0.68 0.57 -0.09 0.20 2.86 -1.06 -1.88 114.93 116.21 2fsh h MET 21 Ca 0.06 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2fsh h MET 21 Cb 0.92 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2fsh h MET 21 CO 0.09 0.84 -0.04 0.00 1.06 0.00 0.00 176.91 178.85 2fsh h ARG 22 N 0.49 0.13 -0.52 1.72 2.47 -0.35 -0.21 114.38 118.10 2fsh h ARG 22 Ca 0.05 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2fsh h ARG 22 Cb 0.82 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.09 2fsh h ARG 22 CO 0.07 0.18 0.31 0.87 0.56 0.00 0.00 179.97 181.96 2fsh h LYS 23 N 0.13 0.71 -0.30 0.04 1.57 -1.01 -2.19 116.57 115.51 2fsh h LYS 23 Ca 0.03 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2fsh h LYS 23 Cb 0.16 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2fsh h LYS 23 CO 0.01 0.52 -0.40 0.28 -0.57 0.00 0.00 179.45 179.29 2fsh h VAL 24 N 0.70 1.29 -0.99 0.50 2.07 -1.09 -2.17 116.25 116.56 2fsh h VAL 24 Ca 0.19 -1.58 0.15 0.00 0.82 0.00 0.00 66.70 66.27 2fsh h VAL 24 Cb -0.00 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 2fsh h VAL 24 CO -0.03 0.51 0.62 0.58 0.02 0.00 0.00 177.57 179.27 2fsh h VAL 25 N 0.58 0.83 0.00 2.57 2.07 -0.90 0.76 116.25 122.16 2fsh h VAL 25 Ca 0.04 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2fsh h VAL 25 Cb 0.99 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2fsh h VAL 25 CO 0.09 0.16 -0.31 0.78 0.02 0.00 0.00 177.57 178.32 2fsh h ASN 26 N 0.87 0.00 -0.02 0.57 2.35 -0.76 -0.98 115.58 117.61 2fsh h ASN 26 Ca 0.52 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.25 2fsh h ASN 26 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2fsh h ASN 26 CO -0.29 0.31 -0.05 0.40 -1.65 0.00 0.00 177.43 176.14 2fsh h ILE 27 N 0.00 1.46 -0.48 2.81 2.04 -0.97 -2.60 117.51 119.78 2fsh h ILE 27 Ca -0.00 -1.44 0.10 0.00 1.00 0.00 0.00 64.86 64.51 2fsh h ILE 27 Cb 0.54 2.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 2fsh h ILE 27 CO 0.04 0.38 -0.16 0.40 0.00 0.00 0.00 178.15 178.82 2fsh h ILE 28 N -0.49 0.45 -0.94 -0.67 2.04 -0.55 -2.24 117.51 115.12 2fsh h ILE 28 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2fsh h ILE 28 Cb 0.65 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2fsh h ILE 28 CO 0.01 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.51 2fsh h ASN 29 N -0.04 1.13 0.09 1.72 2.35 -1.23 -2.16 115.58 117.43 2fsh h ASN 29 Ca 0.23 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2fsh h ASN 29 Cb 0.40 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2fsh h ASN 29 CO -0.52 0.86 -0.06 0.00 -1.65 0.00 0.00 177.43 176.07 2fsh h ALA 30 N 1.31 1.71 0.00 -0.83 0.00 -1.00 -2.52 119.26 117.94 2fsh h ALA 30 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2fsh h ALA 30 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2fsh h ALA 30 CO -0.06 0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2fsh n MET 31 N -4.19 0.04 -0.10 0.00 2.81 -0.82 -4.16 117.12 110.70 2fsh n MET 31 Ca -0.03 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.80 2fsh n MET 31 Cb 0.14 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.17 2fsh n MET 31 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2fsh h GLU 32 N 0.00 0.27 -0.53 0.03 4.81 -1.31 -2.47 114.58 115.38 2fsh h GLU 32 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2fsh h GLU 32 Cb 0.48 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2fsh h GLU 32 CO 0.00 0.18 0.34 -1.35 -0.73 0.00 0.00 179.01 177.45 2fsh h PRO 33 N 0.28 0.71 -0.29 0.92 0.11 -1.81 -0.11 132.00 131.81 2fsh h PRO 33 Ca 0.16 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.25 2fsh h PRO 33 Cb 0.13 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 2fsh h PRO 33 CO -0.16 0.48 0.11 1.49 -0.21 0.00 0.00 178.00 179.71 2fsh h GLU 34 N 0.72 0.23 -0.26 1.05 4.81 -1.72 -2.89 114.58 116.52 2fsh h GLU 34 Ca 0.19 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 2fsh h GLU 34 Cb -0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2fsh h GLU 34 CO -0.04 0.15 -0.45 0.52 -0.73 0.00 0.00 179.01 178.46 2fsh h MET 35 N 0.24 0.68 -0.24 1.92 2.86 -1.05 -3.00 114.93 116.34 2fsh h MET 35 Ca 0.13 -0.38 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2fsh h MET 35 Cb 0.09 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2fsh h MET 35 CO -0.12 0.99 0.28 0.93 1.06 0.00 0.00 176.91 180.05 2fsh h GLU 36 N 0.54 0.00 0.00 1.72 5.08 -0.83 -2.49 114.58 118.61 2fsh h GLU 36 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2fsh h GLU 36 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2fsh h GLU 36 CO 0.09 0.00 -1.23 1.63 -1.00 0.00 0.00 179.01 178.50 2fsh n LYS 37 N -3.70 0.49 -2.21 2.33 4.01 -1.14 -4.89 118.16 113.06 2fsh n LYS 37 Ca 0.03 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.42 2fsh n LYS 37 Cb 0.42 -1.67 -0.03 0.00 -0.51 0.00 0.00 35.03 33.24 2fsh n LYS 37 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2fsh s LEU 38 N -4.61 4.42 0.94 -0.35 1.02 -0.94 -5.02 118.68 114.14 2fsh s LEU 38 Ca -0.01 2.43 -0.11 0.00 0.02 0.00 0.00 54.13 56.47 2fsh s LEU 38 Cb 0.12 -3.61 0.15 0.00 0.02 0.00 0.00 46.19 42.87 2fsh s LEU 38 CO 0.82 -0.52 1.09 -0.94 0.02 0.00 0.00 176.35 176.82 2fsh s SER 39 N 0.22 2.97 0.14 2.29 1.04 -1.26 -4.82 113.70 114.27 2fsh s SER 39 Ca 0.56 1.71 -0.18 0.00 0.48 0.00 0.00 55.95 58.52 2fsh s SER 39 Cb -0.37 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2fsh s SER 39 CO 0.40 -2.99 1.80 0.44 0.98 0.00 0.00 173.24 173.86 2fsh h ASP 40 N -1.79 0.35 -0.62 7.02 3.32 -1.97 -1.09 116.42 121.64 2fsh h ASP 40 Ca -0.49 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.60 2fsh h ASP 40 Cb 1.28 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2fsh h ASP 40 CO 0.50 0.26 0.41 -0.33 -1.72 0.00 0.00 179.24 178.36 2fsh h GLU 41 N 0.42 0.62 -0.42 3.56 4.39 -1.92 -1.42 114.58 119.80 2fsh h GLU 41 Ca 0.11 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 2fsh h GLU 41 Cb -0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2fsh h GLU 41 CO -0.02 0.41 -0.32 0.93 -1.16 0.00 0.00 179.01 178.85 2fsh h GLU 42 N 0.64 0.97 -0.32 2.33 5.08 -1.73 -1.56 114.58 119.98 2fsh h GLU 42 Ca 0.26 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2fsh h GLU 42 Cb 0.22 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2fsh h GLU 42 CO -0.08 1.14 0.19 -0.07 -1.00 0.00 0.00 179.01 179.19 2fsh h LEU 43 N 0.80 0.31 -0.94 1.33 3.38 -0.95 -1.61 115.31 117.62 2fsh h LEU 43 Ca 0.08 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2fsh h LEU 43 Cb 0.91 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2fsh h LEU 43 CO 0.09 0.22 0.59 0.50 0.09 0.00 0.00 178.44 179.93 2fsh h LYS 44 N 0.39 1.00 0.00 1.13 3.64 -1.05 -2.26 116.57 119.41 2fsh h LYS 44 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2fsh h LYS 44 Cb -0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2fsh h LYS 44 CO -0.06 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.19 2fsh n GLY 45 N -1.34 -0.89 0.34 5.01 0.00 -0.61 -2.85 105.19 104.85 2fsh n GLY 45 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2fsh n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsh h LYS 46 N 0.00 1.00 -0.00 1.61 1.79 -1.10 -1.33 116.57 118.54 2fsh h LYS 46 Ca 0.00 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.38 2fsh h LYS 46 Cb 0.20 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2fsh h LYS 46 CO 0.00 0.73 -0.08 1.15 -1.08 0.00 0.00 179.45 180.17 2fsh h THR 47 N 1.01 0.80 -0.76 -0.16 2.02 -1.70 0.11 112.91 114.23 2fsh h THR 47 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 2fsh h THR 47 Cb 0.01 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2fsh h THR 47 CO -0.04 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.13 2fsh h ALA 48 N 0.86 1.06 -0.37 6.16 0.00 -1.68 -1.20 119.26 124.09 2fsh h ALA 48 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2fsh h ALA 48 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2fsh h ALA 48 CO -0.08 0.66 0.24 1.49 0.00 0.00 0.00 179.25 181.55 2fsh h GLU 49 N 1.12 0.48 -0.96 0.00 4.81 -0.86 -1.32 114.58 117.84 2fsh h GLU 49 Ca 0.25 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2fsh h GLU 49 Cb 0.24 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 2fsh h GLU 49 CO -0.02 0.31 0.61 0.74 -0.73 0.00 0.00 179.01 179.93 2fsh h PHE 50 N 0.49 1.13 0.00 0.92 0.04 -0.51 -2.08 116.94 116.93 2fsh h PHE 50 Ca 0.14 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 2fsh h PHE 50 Cb -0.05 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.72 2fsh h PHE 50 CO -0.05 0.57 -0.56 0.00 -0.60 0.00 0.00 178.31 177.67 2fsh h ARG 51 N 1.10 0.00 -0.11 1.51 3.08 -1.01 -0.02 114.38 118.93 2fsh h ARG 51 Ca 0.42 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.30 2fsh h ARG 51 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2fsh h ARG 51 CO -0.18 0.56 -0.67 0.00 -1.07 0.00 0.00 179.97 178.60 2fsh h ALA 52 N 1.44 0.63 -0.45 0.04 0.00 -0.94 -1.71 119.26 118.28 2fsh h ALA 52 Ca -0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2fsh h ALA 52 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2fsh h ALA 52 CO 0.07 0.73 -0.11 0.00 0.00 0.00 0.00 179.25 179.95 2fsh h ARG 53 N 0.32 0.87 -0.50 0.00 3.08 -1.11 -2.33 114.38 114.72 2fsh h ARG 53 Ca -0.02 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 2fsh h ARG 53 Cb 1.23 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2fsh h ARG 53 CO 0.12 0.98 0.31 -0.07 -1.07 0.00 0.00 179.97 180.23 2fsh h LEU 54 N 0.71 0.59 -1.02 3.04 3.38 -0.92 -0.66 115.31 120.43 2fsh h LEU 54 Ca 0.11 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2fsh h LEU 54 Cb 0.65 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2fsh h LEU 54 CO 0.04 0.45 0.63 -0.33 0.09 0.00 0.00 178.44 179.33 2fsh h GLU 55 N 0.67 0.96 0.00 1.13 4.39 -1.22 -0.44 114.58 120.07 2fsh h GLU 55 Ca 0.18 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2fsh h GLU 55 Cb -0.03 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 2fsh h GLU 55 CO -0.04 0.63 0.00 1.63 -1.16 0.00 0.00 179.01 180.08 2fsh n LYS 56 N -4.62 0.93 0.00 2.33 5.02 -0.89 -4.89 118.16 116.05 2fsh n LYS 56 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2fsh n LYS 56 Cb 0.36 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2fsh n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsh n GLY 57 N 0.44 0.62 3.70 0.72 0.00 -0.17 -5.06 105.19 105.43 2fsh n GLY 57 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2fsh n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fsh n GLU 58 N -1.67 1.70 -3.04 1.61 4.07 -0.30 -4.97 120.64 118.04 2fsh n GLU 58 Ca 0.00 0.61 -0.40 0.00 -0.06 0.00 0.00 57.16 57.32 2fsh n GLU 58 Cb 0.00 -2.41 -0.05 0.00 -0.06 0.00 0.00 31.44 28.92 2fsh n GLU 58 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2fsh s VAL 59 N -1.27 4.88 0.27 6.31 1.01 -1.26 -4.58 120.40 125.75 2fsh s VAL 59 Ca 0.66 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 64.11 2fsh s VAL 59 Cb -0.47 -4.06 0.27 0.00 0.00 0.00 0.00 36.38 32.12 2fsh s VAL 59 CO 0.54 0.33 1.91 0.25 0.00 0.00 0.00 175.10 178.13 2fsh h LEU 60 N 6.07 1.07 -1.34 3.92 5.85 -1.99 0.37 115.31 129.26 2fsh h LEU 60 Ca -0.43 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2fsh h LEU 60 Cb 1.20 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2fsh h LEU 60 CO 0.72 0.72 -0.04 -0.33 -0.34 0.00 0.00 178.44 179.17 2fsh h GLU 61 N 1.23 0.00 0.00 1.25 3.07 -2.00 -0.49 114.58 117.65 2fsh h GLU 61 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2fsh h GLU 61 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2fsh h GLU 61 CO -0.13 0.04 0.00 -0.91 -1.40 0.00 0.00 179.01 176.62 2fsh h ASN 62 N 0.00 0.00 0.27 1.42 2.35 -1.32 -3.04 115.58 115.27 2fsh h ASN 62 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fsh h ASN 62 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2fsh h ASN 62 CO 0.01 0.00 -0.38 0.18 -1.65 0.00 0.00 177.43 175.59 2fsh n LEU 63 N -2.90 0.98 -0.13 1.61 4.77 -0.19 -4.51 117.00 116.63 2fsh n LEU 63 Ca -0.02 -0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 55.64 2fsh n LEU 63 Cb 0.13 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2fsh n LEU 63 CO 0.20 0.19 1.03 0.40 -1.33 0.00 0.00 177.39 177.88 2fsh h ILE 64 N 0.95 1.06 -0.13 -0.08 2.04 -1.63 0.80 117.51 120.53 2fsh h ILE 64 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2fsh h ILE 64 Cb 0.53 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2fsh h ILE 64 CO 0.00 0.09 0.08 -0.65 0.00 0.00 0.00 178.15 177.67 2fsh h PRO 65 N 0.50 0.17 -0.47 2.37 0.11 -1.84 0.13 132.00 132.98 2fsh h PRO 65 Ca 0.16 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 2fsh h PRO 65 Cb -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2fsh h PRO 65 CO -0.06 0.13 -0.02 0.93 -0.21 0.00 0.00 178.00 178.77 2fsh h GLU 66 N 0.15 0.84 -0.53 1.05 5.08 -1.83 -2.30 114.58 117.04 2fsh h GLU 66 Ca 0.05 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2fsh h GLU 66 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2fsh h GLU 66 CO -0.01 0.90 0.15 0.00 -1.00 0.00 0.00 179.01 179.05 2fsh h ALA 67 N 0.91 0.70 -0.88 3.43 0.00 -0.74 -0.91 119.26 121.77 2fsh h ALA 67 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fsh h ALA 67 Cb 0.53 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2fsh h ALA 67 CO 0.03 0.37 0.58 0.74 0.00 0.00 0.00 179.25 180.97 2fsh h PHE 68 N 0.74 1.10 -0.41 0.00 -1.00 -0.94 -0.94 116.94 115.48 2fsh h PHE 68 Ca 0.17 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.90 2fsh h PHE 68 Cb 0.31 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 2fsh h PHE 68 CO 0.02 0.68 -0.05 0.00 -1.61 0.00 0.00 178.31 177.35 2fsh h ALA 69 N 1.33 1.15 0.01 2.45 0.00 -1.18 0.16 119.26 123.18 2fsh h ALA 69 Ca 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fsh h ALA 69 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2fsh h ALA 69 CO -0.08 0.54 -0.00 0.28 0.00 0.00 0.00 179.25 179.99 2fsh h VAL 70 N 0.64 1.12 -0.82 0.00 2.07 -0.82 -2.04 116.25 116.39 2fsh h VAL 70 Ca 0.12 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2fsh h VAL 70 Cb 0.47 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2fsh h VAL 70 CO 0.02 0.10 0.48 0.58 0.02 0.00 0.00 177.57 178.77 2fsh h VAL 71 N -0.18 1.23 -0.90 2.57 2.07 -0.91 -0.75 116.25 119.39 2fsh h VAL 71 Ca -0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2fsh h VAL 71 Cb 0.17 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2fsh h VAL 71 CO 0.00 0.25 0.58 -0.09 0.02 0.00 0.00 177.57 178.33 2fsh h ARG 72 N 1.13 1.20 -0.18 1.57 2.43 -0.63 -0.39 114.38 119.51 2fsh h ARG 72 Ca 0.29 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 59.21 2fsh h ARG 72 Cb -0.02 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 2fsh h ARG 72 CO -0.05 0.81 -0.52 1.49 -1.51 0.00 0.00 179.97 180.19 2fsh h GLU 73 N 1.23 0.67 -0.66 0.20 4.57 -1.11 -1.91 114.58 117.56 2fsh h GLU 73 Ca 0.33 -0.48 0.12 0.00 -1.18 0.00 0.00 59.36 58.14 2fsh h GLU 73 Cb -0.11 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.47 2fsh h GLU 73 CO -0.07 1.10 0.22 0.00 -1.18 0.00 0.00 179.01 179.09 2fsh h ALA 74 N 0.57 0.87 -0.62 2.92 0.00 -0.93 -2.20 119.26 119.87 2fsh h ALA 74 Ca -0.01 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2fsh h ALA 74 Cb 1.14 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2fsh h ALA 74 CO 0.11 -0.23 0.07 1.03 0.00 0.00 0.00 179.25 180.23 2fsh h SER 75 N 0.38 1.01 -0.71 0.00 0.87 -0.91 0.11 113.55 114.29 2fsh h SER 75 Ca 0.35 -0.27 0.12 0.00 -1.23 0.00 0.00 61.79 60.75 2fsh h SER 75 Cb 0.50 -0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.11 2fsh h SER 75 CO -0.37 1.03 0.31 0.11 -0.53 0.00 0.00 176.83 177.37 2fsh h LYS 76 N 0.95 0.48 0.18 2.24 1.57 -0.71 0.24 116.57 121.52 2fsh h LYS 76 Ca 0.18 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.63 2fsh h LYS 76 Cb 0.47 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.69 2fsh h LYS 76 CO 0.02 0.32 -1.39 0.00 -0.57 0.00 0.00 179.45 177.82 2fsh h ARG 77 N 0.50 0.39 0.09 3.15 3.08 -0.77 -1.91 114.38 118.91 2fsh h ARG 77 Ca 0.37 -0.67 -0.26 0.00 0.07 0.00 0.00 59.98 59.49 2fsh h ARG 77 Cb 0.49 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2fsh h ARG 77 CO -0.34 1.31 -1.36 0.28 -1.07 0.00 0.00 179.97 178.79 2fsh h VAL 78 N 0.11 1.02 0.00 2.04 2.07 -0.66 -3.39 116.25 117.44 2fsh h VAL 78 Ca -0.20 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2fsh h VAL 78 Cb 2.07 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.50 2fsh h VAL 78 CO 0.23 0.66 -1.39 0.49 0.02 0.00 0.00 177.57 177.58 2fsh n PHE 79 N -4.00 0.00 -2.47 1.57 3.72 0.74 -4.98 117.46 112.04 2fsh n PHE 79 Ca -0.26 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.97 2fsh n PHE 79 Cb 0.86 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2fsh n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fsh n GLY 80 N 1.41 -0.31 2.89 1.37 0.00 -0.52 -4.97 105.19 105.06 2fsh n GLY 80 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2fsh n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fsh s MET 81 N -5.01 0.68 -0.33 1.61 -1.94 -1.13 -4.93 119.30 108.26 2fsh s MET 81 Ca 0.07 -0.08 -0.05 0.00 -1.71 0.00 0.00 55.69 53.91 2fsh s MET 81 Cb -0.03 -0.71 0.04 0.00 2.01 0.00 0.00 34.83 36.14 2fsh s MET 81 CO 0.08 -0.06 0.08 0.50 -0.01 0.00 0.00 175.02 175.61 2fsh s ARG 82 N 0.79 2.55 0.16 2.03 3.52 -1.26 -2.00 118.95 124.73 2fsh s ARG 82 Ca -0.10 -1.22 -0.32 0.00 -0.13 0.00 0.00 55.73 53.96 2fsh s ARG 82 Cb -0.13 -3.38 -0.17 0.00 -1.56 0.00 0.00 34.95 29.71 2fsh s ARG 82 CO -0.00 -0.66 0.84 0.72 -0.81 0.00 0.00 175.30 175.39 2fsh n HIS 83 N 4.75 0.35 -1.86 5.12 8.25 -1.26 -4.96 115.22 125.62 2fsh n HIS 83 Ca -0.12 0.90 -0.30 0.00 -0.26 0.00 0.00 57.72 57.93 2fsh n HIS 83 Cb 0.44 -2.09 0.05 0.00 1.12 0.00 0.00 29.99 29.51 2fsh n HIS 83 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fsh s PHE 84 N -0.60 3.26 0.20 4.41 0.08 -1.26 -4.87 117.98 119.19 2fsh s PHE 84 Ca 0.72 1.03 -0.11 0.00 0.12 0.00 0.00 56.93 58.69 2fsh s PHE 84 Cb -0.97 -3.11 0.19 0.00 -0.57 0.00 0.00 43.02 38.57 2fsh s PHE 84 CO 0.56 -1.27 1.80 -0.44 -0.10 0.00 0.00 175.22 175.77 2fsh h ASP 85 N -0.72 0.50 0.10 1.36 5.19 -1.99 -0.73 116.42 120.14 2fsh h ASP 85 Ca -0.45 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 2fsh h ASP 85 Cb 1.26 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 2fsh h ASP 85 CO 0.64 0.34 -0.05 -0.37 -3.12 0.00 0.00 179.24 176.67 2fsh h VAL 86 N 0.64 0.68 -0.01 -1.35 -1.51 -1.93 -1.77 116.25 111.00 2fsh h VAL 86 Ca 0.27 -0.19 -0.22 0.00 -1.23 0.00 0.00 66.70 65.32 2fsh h VAL 86 Cb 0.14 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2fsh h VAL 86 CO -0.16 0.05 -0.91 1.56 -1.23 0.00 0.00 177.57 176.87 2fsh h GLN 87 N 0.00 0.41 -0.06 5.19 4.20 -1.52 -1.35 115.11 121.98 2fsh h GLN 87 Ca -0.00 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.32 2fsh h GLN 87 Cb 0.11 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2fsh h GLN 87 CO 0.01 1.09 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.95 2fsh h LEU 88 N 0.24 -0.70 -0.47 1.46 3.38 -0.87 -0.61 115.31 117.74 2fsh h LEU 88 Ca -0.07 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2fsh h LEU 88 Cb 1.54 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 42.53 2fsh h LEU 88 CO 0.16 -0.29 0.05 -0.07 0.09 0.00 0.00 178.44 178.38 2fsh h LEU 89 N -0.33 -0.08 -0.65 1.67 3.38 -1.23 -0.66 115.31 117.41 2fsh h LEU 89 Ca 0.08 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2fsh h LEU 89 Cb 0.45 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2fsh h LEU 89 CO -0.25 -0.01 0.39 1.23 0.09 0.00 0.00 178.44 179.88 2fsh h GLY 90 N 0.18 0.93 1.26 0.83 0.00 -1.15 -1.01 103.07 104.10 2fsh h GLY 90 Ca 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2fsh h GLY 90 CO -0.34 0.23 0.24 -1.33 0.00 0.00 0.00 176.54 175.34 2fsh h GLY 91 N 0.75 1.01 1.32 4.60 0.00 -0.61 -1.90 103.07 108.25 2fsh h GLY 91 Ca 0.27 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2fsh h GLY 91 CO -0.12 0.50 -0.36 -0.33 0.00 0.00 0.00 176.54 176.23 2fsh h MET 92 N 0.92 0.76 -0.94 4.80 2.86 -0.58 -2.96 114.93 119.79 2fsh h MET 92 Ca 0.22 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2fsh h MET 92 Cb 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 2fsh h MET 92 CO -0.02 1.00 0.62 0.28 1.06 0.00 0.00 176.91 179.85 2fsh h VAL 93 N 0.63 1.14 0.00 -2.22 2.07 -0.76 -2.80 116.25 114.31 2fsh h VAL 93 Ca 0.06 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2fsh h VAL 93 Cb 0.90 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2fsh h VAL 93 CO 0.08 0.21 0.00 0.18 0.02 0.00 0.00 177.57 178.06 2fsh n LEU 94 N -4.45 0.36 0.07 2.57 4.77 -0.75 -2.06 117.00 117.50 2fsh n LEU 94 Ca 0.13 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 2fsh n LEU 94 Cb 0.12 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.08 2fsh n LEU 94 CO 0.34 -0.26 0.70 -3.20 -1.33 0.00 0.00 177.39 173.64 2fsh n ASN 95 N -1.86 0.63 -5.02 -1.43 5.15 -1.06 -4.71 115.26 106.96 2fsh n ASN 95 Ca 0.04 0.36 -0.19 0.00 -0.60 0.00 0.00 54.58 54.19 2fsh n ASN 95 Cb 0.28 -0.37 0.04 0.00 -0.53 0.00 0.00 39.78 39.20 2fsh n ASN 95 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2fsh s GLU 96 N -3.10 2.51 -1.31 1.20 0.41 -0.88 -5.00 118.70 112.54 2fsh s GLU 96 Ca 0.10 -1.50 -0.16 0.00 -0.41 0.00 0.00 54.97 53.00 2fsh s GLU 96 Cb 0.14 -2.67 0.09 0.00 -1.78 0.00 0.00 34.13 29.91 2fsh s GLU 96 CO 0.63 -0.61 1.78 -2.13 -0.49 0.00 0.00 175.26 174.44 2fsh n ARG 97 N -2.06 3.20 -3.83 1.61 0.63 -1.26 -4.62 116.66 110.32 2fsh n ARG 97 Ca 0.12 -3.29 -0.10 0.00 -0.92 0.00 0.00 57.85 53.66 2fsh n ARG 97 Cb 0.61 -3.33 -0.08 0.00 0.45 0.00 0.00 32.46 30.11 2fsh n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fsh s ILE 99 N -2.74 5.26 -0.37 0.00 -1.09 0.17 -2.12 121.20 120.31 2fsh s ILE 99 Ca -0.04 0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 58.83 2fsh s ILE 99 Cb -0.00 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2fsh s ILE 99 CO -0.05 0.32 0.41 0.00 -1.23 0.00 0.00 174.94 174.40 2fsh s ALA 100 N 0.87 3.47 -0.47 9.38 0.00 0.27 -1.28 121.76 133.99 2fsh s ALA 100 Ca 0.18 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.62 2fsh s ALA 100 Cb -0.14 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 20.08 2fsh s ALA 100 CO 0.06 -1.29 0.72 -2.00 0.00 0.00 0.00 175.76 173.26 2fsh s GLU 101 N 2.12 3.29 -0.13 0.00 2.12 -0.29 -2.33 118.70 123.48 2fsh s GLU 101 Ca 0.13 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2fsh s GLU 101 Cb -0.17 -3.99 0.02 0.00 0.26 0.00 0.00 34.13 30.26 2fsh s GLU 101 CO 0.13 -1.15 -0.13 -1.64 -0.54 0.00 0.00 175.26 171.93 2fsh s MET 102 N 3.09 2.06 0.54 4.30 -1.94 -0.32 -1.29 119.30 125.73 2fsh s MET 102 Ca 0.24 -0.47 -0.21 0.00 -1.71 0.00 0.00 55.69 53.54 2fsh s MET 102 Cb -0.14 -1.89 -0.06 0.00 2.01 0.00 0.00 34.83 34.75 2fsh s MET 102 CO 0.19 -0.19 1.09 -2.13 -0.01 0.00 0.00 175.02 173.97 2fsh n ARG 103 N 4.62 1.26 -1.63 2.03 0.00 -1.26 -3.49 116.66 118.19 2fsh n ARG 103 Ca -0.17 0.47 -0.48 0.00 -0.00 0.00 0.00 57.85 57.67 2fsh n ARG 103 Cb 0.50 -2.26 -0.05 0.00 0.00 0.00 0.00 32.46 30.66 2fsh n ARG 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2fsh n THR 104 N -1.19 0.28 0.00 5.15 -1.04 -1.26 -1.50 114.28 114.72 2fsh n THR 104 Ca 0.11 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2fsh n THR 104 Cb 0.44 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 2fsh n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fsh n GLY 105 N 2.69 0.43 0.55 3.41 0.00 -1.26 -4.73 105.19 106.28 2fsh n GLY 105 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2fsh n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsh n GLU 106 N -1.98 1.58 -2.09 1.61 -0.58 -0.56 -4.84 120.64 113.76 2fsh n GLU 106 Ca 0.00 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 2fsh n GLU 106 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2fsh n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fsh n GLY 107 N 1.30 0.85 0.29 0.62 0.00 -1.26 -4.89 105.19 102.10 2fsh n GLY 107 Ca 0.15 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.69 2fsh n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsh h LYS 108 N 0.00 0.37 -0.63 1.61 1.57 -1.92 -1.69 116.57 115.89 2fsh h LYS 108 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2fsh h LYS 108 Cb 0.88 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2fsh h LYS 108 CO 0.00 0.25 0.15 1.15 -0.57 0.00 0.00 179.45 180.42 2fsh h THR 109 N 0.38 1.25 -0.45 -0.16 2.02 -1.97 -2.47 112.91 111.51 2fsh h THR 109 Ca 0.47 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 2fsh h THR 109 Cb 0.82 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2fsh h THR 109 CO -0.49 0.35 -0.21 0.25 0.37 0.00 0.00 175.52 175.79 2fsh h LEU 110 N 0.92 0.92 -0.71 2.58 5.85 -1.89 -3.12 115.31 119.87 2fsh h LEU 110 Ca 0.20 -0.34 0.14 0.00 0.84 0.00 0.00 57.88 58.71 2fsh h LEU 110 Cb 0.37 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 2fsh h LEU 110 CO 0.00 1.10 0.23 0.74 -0.34 0.00 0.00 178.44 180.17 2fsh h THR 111 N 0.79 0.62 0.00 1.05 2.02 -1.06 -1.01 112.91 115.32 2fsh h THR 111 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2fsh h THR 111 Cb 0.76 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2fsh h THR 111 CO 0.06 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2fsh n ALA 112 N -2.57 1.29 0.26 6.16 0.00 -0.95 -2.11 120.51 122.58 2fsh n ALA 112 Ca 0.13 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2fsh n ALA 112 Cb 0.40 -1.31 0.70 0.00 0.00 0.00 0.00 19.45 19.24 2fsh n ALA 112 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2fsh h THR 113 N 0.00 0.50 0.25 0.00 1.35 -1.28 -2.76 112.91 110.97 2fsh h THR 113 Ca 0.00 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 2fsh h THR 113 Cb 0.14 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2fsh h THR 113 CO 0.00 0.12 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.21 2fsh h LEU 114 N 0.00 -0.28 -1.07 3.87 3.38 -1.59 -1.46 115.31 118.16 2fsh h LEU 114 Ca -0.00 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2fsh h LEU 114 Cb 0.41 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2fsh h LEU 114 CO 0.02 0.22 -0.46 1.55 0.09 0.00 0.00 178.44 179.86 2fsh h PRO 115 N -0.99 0.00 -0.12 1.13 0.13 -1.74 -2.22 132.00 128.20 2fsh h PRO 115 Ca -0.03 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2fsh h PRO 115 Cb 0.45 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 2fsh h PRO 115 CO 0.06 0.46 -0.00 0.00 -0.23 0.00 0.00 178.00 178.29 2fsh h ALA 116 N 1.54 0.10 0.19 -0.56 0.00 -1.54 -0.49 119.26 118.50 2fsh h ALA 116 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fsh h ALA 116 Cb 0.82 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2fsh h ALA 116 CO 0.06 -0.46 -0.28 -0.92 0.00 0.00 0.00 179.25 177.65 2fsh h TYR 117 N 0.04 -0.75 -0.59 0.00 3.20 -1.19 -1.93 116.97 115.76 2fsh h TYR 117 Ca 0.05 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2fsh h TYR 117 Cb 0.06 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2fsh h TYR 117 CO -0.14 -0.39 0.30 1.25 -1.64 0.00 0.00 178.16 177.54 2fsh h LEU 118 N -0.54 0.76 0.00 2.82 5.85 -1.32 -2.13 115.31 120.75 2fsh h LEU 118 Ca 0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2fsh h LEU 118 Cb 0.53 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2fsh h LEU 118 CO -0.11 0.66 0.00 0.59 -0.34 0.00 0.00 178.44 179.24 2fsh n ASN 119 N -4.55 0.00 0.13 1.25 3.02 -0.20 -2.33 115.26 112.58 2fsh n ASN 119 Ca 0.04 -0.55 0.12 0.00 -0.03 0.00 0.00 54.58 54.15 2fsh n ASN 119 Cb 0.11 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2fsh n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fsh h ALA 120 N 3.45 0.60 -0.90 5.41 0.00 -0.65 -3.41 119.26 123.76 2fsh h ALA 120 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2fsh h ALA 120 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2fsh h ALA 120 CO 0.00 0.00 0.58 -0.07 0.00 0.00 0.00 179.25 179.76 2fsh h LEU 121 N 0.00 0.92 0.00 0.00 3.38 -1.35 -1.89 115.31 116.37 2fsh h LEU 121 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fsh h LEU 121 Cb 1.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2fsh h LEU 121 CO 0.00 0.60 0.00 0.35 0.09 0.00 0.00 178.44 179.48 2fsh n THR 122 N -4.47 0.00 -1.36 0.22 -2.24 -1.26 -4.80 114.28 100.37 2fsh n THR 122 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2fsh n THR 122 Cb 0.17 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2fsh n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fsh n GLY 123 N 0.28 0.44 0.05 3.38 0.00 -0.71 -4.92 105.19 103.71 2fsh n GLY 123 Ca 0.15 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.25 2fsh n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fsh n LYS 124 N -2.38 3.74 0.00 1.61 4.76 -1.26 -5.10 118.16 119.53 2fsh n LYS 124 Ca -0.02 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2fsh n LYS 124 Cb 0.20 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2fsh n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fsh n GLY 125 N 1.09 2.11 2.81 0.72 0.00 -1.26 -4.65 105.19 106.01 2fsh n GLY 125 Ca 0.02 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 2fsh n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fsh s VAL 126 N -2.66 0.15 -0.42 1.61 1.01 -1.07 -4.16 120.40 114.86 2fsh s VAL 126 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2fsh s VAL 126 Cb 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.21 2fsh s VAL 126 CO 0.00 0.14 0.27 -1.00 0.00 0.00 0.00 175.10 174.51 2fsh s HIS 127 N 1.03 3.34 -0.20 5.22 3.76 0.41 -0.55 115.29 128.29 2fsh s HIS 127 Ca -0.10 -1.50 -0.23 0.00 -0.15 0.00 0.00 55.06 53.08 2fsh s HIS 127 Cb -0.13 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.56 2fsh s HIS 127 CO -0.02 -0.85 0.74 0.08 -0.85 0.00 0.00 174.74 173.85 2fsh s VAL 128 N 1.44 4.93 -0.29 -0.90 1.01 0.78 -0.70 120.40 126.67 2fsh s VAL 128 Ca 0.03 1.42 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 2fsh s VAL 128 Cb -0.23 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2fsh s VAL 128 CO 0.02 0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.56 2fsh s VAL 129 N 2.22 4.16 0.33 2.92 1.01 -0.25 -2.12 120.40 128.68 2fsh s VAL 129 Ca 0.33 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2fsh s VAL 129 Cb -0.16 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2fsh s VAL 129 CO 0.10 0.15 0.27 0.42 0.00 0.00 0.00 175.10 176.04 2fsh s THR 130 N 1.55 3.49 -0.33 3.92 -4.23 -0.50 -1.08 115.64 118.47 2fsh s THR 130 Ca 0.04 -1.42 0.25 0.00 -1.18 0.00 0.00 61.69 59.38 2fsh s THR 130 Cb -0.17 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.86 2fsh s THR 130 CO 0.03 -0.18 1.69 -0.37 -0.54 0.00 0.00 174.62 175.26 2fsh h VAL 131 N 1.30 0.00 -3.45 2.29 -1.51 -1.95 -3.21 116.25 109.72 2fsh h VAL 131 Ca -0.45 -0.88 -0.08 0.00 -1.23 0.00 0.00 66.70 64.06 2fsh h VAL 131 Cb 1.25 1.88 -0.05 0.00 -2.13 0.00 0.00 31.29 32.24 2fsh h VAL 131 CO 0.59 0.00 0.05 0.54 -1.23 0.00 0.00 177.57 177.52 2fsh s ASN 132 N -6.06 0.16 0.11 4.19 2.20 -1.26 -4.90 114.94 109.38 2fsh s ASN 132 Ca 0.06 -1.08 -0.11 0.00 -0.94 0.00 0.00 52.86 50.79 2fsh s ASN 132 Cb 0.06 0.72 -0.13 0.00 -2.00 0.00 0.00 41.25 39.89 2fsh s ASN 132 CO 0.64 -1.39 1.31 0.44 -2.94 0.00 0.00 177.10 175.15 2fsh h ASP 133 N 2.09 0.86 -0.55 3.54 3.32 -1.96 -2.45 116.42 121.27 2fsh h ASP 133 Ca -0.27 -0.59 0.11 0.00 0.02 0.00 0.00 57.03 56.29 2fsh h ASP 133 Cb 1.25 -0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 2fsh h ASP 133 CO 0.36 1.38 -0.27 0.22 -1.72 0.00 0.00 179.24 179.21 2fsh h TYR 134 N 0.47 -0.70 -0.23 4.55 3.20 -1.99 -1.96 116.97 120.30 2fsh h TYR 134 Ca -0.06 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2fsh h TYR 134 Cb 1.45 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 40.10 2fsh h TYR 134 CO 0.08 -0.34 -0.30 -0.07 -1.64 0.00 0.00 178.16 175.89 2fsh h LEU 135 N -0.13 0.48 -0.05 2.82 3.38 -1.96 -0.79 115.31 119.06 2fsh h LEU 135 Ca 0.24 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2fsh h LEU 135 Cb 0.52 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2fsh h LEU 135 CO -0.63 0.75 -0.03 0.00 0.09 0.00 0.00 178.44 178.63 2fsh h ALA 136 N 1.28 0.01 -0.39 1.53 0.00 -1.19 -0.68 119.26 119.81 2fsh h ALA 136 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2fsh h ALA 136 Cb 0.73 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2fsh h ALA 136 CO 0.06 -0.51 -0.31 1.96 0.00 0.00 0.00 179.25 180.44 2fsh h GLN 137 N -0.03 0.91 -0.03 0.00 4.20 -1.18 -1.04 115.11 117.94 2fsh h GLN 137 Ca 0.03 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.29 2fsh h GLN 137 Cb 0.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2fsh h GLN 137 CO -0.07 1.10 -0.00 -0.09 -0.67 0.00 0.00 178.83 179.11 2fsh h ARG 138 N 0.73 0.05 -0.73 1.46 2.43 -1.03 -1.34 114.38 115.94 2fsh h ARG 138 Ca 0.07 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2fsh h ARG 138 Cb 0.90 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 2fsh h ARG 138 CO 0.08 0.36 0.44 -0.44 -1.51 0.00 0.00 179.97 178.90 2fsh h ASP 139 N -0.27 0.69 -0.30 -3.80 3.32 -1.15 0.24 116.42 115.15 2fsh h ASP 139 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2fsh h ASP 139 Cb 0.34 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2fsh h ASP 139 CO 0.00 0.45 0.19 0.00 -1.72 0.00 0.00 179.24 178.16 2fsh h ALA 140 N 1.35 0.38 -0.11 3.45 0.00 -1.18 0.54 119.26 123.69 2fsh h ALA 140 Ca 0.32 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 2fsh h ALA 140 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2fsh h ALA 140 CO -0.16 -0.14 -0.74 0.93 0.00 0.00 0.00 179.25 179.15 2fsh h GLU 141 N 0.39 0.53 -0.57 0.00 4.39 -1.00 -1.43 114.58 116.89 2fsh h GLU 141 Ca 0.11 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.28 2fsh h GLU 141 Cb -0.02 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2fsh h GLU 141 CO -0.02 1.06 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.96 2fsh h ASN 142 N 0.36 0.98 1.20 1.42 2.35 -0.40 -3.27 115.58 118.23 2fsh h ASN 142 Ca -0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2fsh h ASN 142 Cb 1.33 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2fsh h ASN 142 CO 0.14 1.04 -0.39 0.78 -1.65 0.00 0.00 177.43 177.35 2fsh h ASN 143 N 0.91 0.00 -0.19 5.81 2.35 -0.79 -3.38 115.58 120.30 2fsh h ASN 143 Ca 0.16 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2fsh h ASN 143 Cb 0.56 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 2fsh h ASN 143 CO 0.03 0.05 -0.16 -0.09 -1.65 0.00 0.00 177.43 175.61 2fsh h ARG 144 N 0.00 -0.17 -0.04 0.81 2.43 -1.30 -0.12 114.38 115.99 2fsh h ARG 144 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2fsh h ARG 144 Cb 0.79 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2fsh h ARG 144 CO 0.00 -0.11 0.03 -1.00 -1.51 0.00 0.00 179.97 177.38 2fsh h PRO 145 N -0.17 0.04 0.19 0.20 0.13 -1.76 0.11 132.00 130.73 2fsh h PRO 145 Ca 0.12 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2fsh h PRO 145 Cb 0.34 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2fsh h PRO 145 CO -0.29 0.03 -0.09 1.25 -0.23 0.00 0.00 178.00 178.67 2fsh h LEU 146 N 0.04 -0.21 -1.68 1.56 5.85 -1.32 -1.97 115.31 117.58 2fsh h LEU 146 Ca 0.02 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2fsh h LEU 146 Cb 0.02 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2fsh h LEU 146 CO -0.00 0.29 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.94 2fsh h PHE 147 N -0.80 0.00 -0.25 1.25 0.04 -1.05 -3.02 116.94 113.11 2fsh h PHE 147 Ca -0.03 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.59 2fsh h PHE 147 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2fsh h PHE 147 CO 0.07 0.19 -0.43 0.93 -0.60 0.00 0.00 178.31 178.47 2fsh h GLU 148 N 0.00 0.73 -1.21 1.51 5.08 -0.94 0.34 114.58 120.09 2fsh h GLU 148 Ca -0.00 -0.45 0.35 0.00 -1.00 0.00 0.00 59.36 58.25 2fsh h GLU 148 Cb 0.39 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2fsh h GLU 148 CO 0.02 1.08 0.82 0.35 -1.00 0.00 0.00 179.01 180.29 2fsh h PHE 149 N 0.46 0.33 -0.63 4.33 3.57 -1.25 -0.49 116.94 123.27 2fsh h PHE 149 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2fsh h PHE 149 Cb 1.03 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2fsh h PHE 149 CO 0.08 -0.01 0.00 1.28 -2.23 0.00 0.00 178.31 177.43 2fsh n LEU 150 N -4.42 4.55 -0.29 0.59 4.77 -1.04 -3.70 117.00 117.46 2fsh n LEU 150 Ca 0.29 -2.40 -0.03 0.00 -0.03 0.00 0.00 56.01 53.83 2fsh n LEU 150 Cb 1.20 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2fsh n LEU 150 CO 0.32 0.82 -0.03 0.61 -1.33 0.00 0.00 177.39 177.78 2fsh n GLY 151 N 1.08 0.54 3.55 -0.72 0.00 -0.19 -4.59 105.19 104.86 2fsh n GLY 151 Ca 0.25 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 2fsh n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fsh s LEU 152 N -0.81 2.86 0.13 0.99 1.43 0.11 -5.00 118.68 118.39 2fsh s LEU 152 Ca 0.00 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2fsh s LEU 152 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2fsh s LEU 152 CO 0.00 0.01 -0.00 0.42 0.23 0.00 0.00 176.35 177.01 2fsh s THR 153 N -2.43 3.87 -0.11 5.49 -4.23 -1.26 -3.22 115.64 113.74 2fsh s THR 153 Ca 0.31 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2fsh s THR 153 Cb -0.05 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 2fsh s THR 153 CO 0.17 0.01 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.36 2fsh s VAL 154 N -1.50 2.32 0.25 2.29 1.01 -1.26 -2.15 120.40 121.36 2fsh s VAL 154 Ca 0.26 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2fsh s VAL 154 Cb -0.11 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2fsh s VAL 154 CO 0.18 0.55 0.00 -0.83 0.00 0.00 0.00 175.10 175.01 2fsh s GLY 155 N 0.33 1.65 -0.09 4.51 0.00 0.29 -4.97 107.32 109.04 2fsh s GLY 155 Ca -0.17 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 42.99 2fsh s GLY 155 CO 0.08 -1.66 -0.20 -1.50 0.00 0.00 0.00 173.10 169.82 2fsh s ILE 156 N -2.22 1.77 -0.15 0.90 1.10 -1.26 -0.36 121.20 120.97 2fsh s ILE 156 Ca 0.31 -0.85 -0.01 0.00 -0.51 0.00 0.00 60.65 59.59 2fsh s ILE 156 Cb -0.07 -1.54 -0.01 0.00 0.15 0.00 0.00 42.46 40.99 2fsh s ILE 156 CO 0.20 0.50 -0.13 0.21 -2.11 0.00 0.00 174.94 173.61 2fsh s ASN 157 N 0.42 3.91 0.05 4.50 2.47 -0.46 -4.76 114.94 121.07 2fsh s ASN 157 Ca -0.17 -0.39 0.01 0.00 0.42 0.00 0.00 52.86 52.73 2fsh s ASN 157 Cb -0.17 -1.61 -0.03 0.00 -1.45 0.00 0.00 41.25 37.99 2fsh s ASN 157 CO 0.07 0.10 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.74 2fsh s LEU 158 N 0.71 2.34 0.22 3.21 1.43 -1.26 -4.47 118.68 120.85 2fsh s LEU 158 Ca -0.06 -0.69 -0.32 0.00 -1.03 0.00 0.00 54.13 52.03 2fsh s LEU 158 Cb -0.15 -0.01 -0.13 0.00 0.03 0.00 0.00 46.19 45.92 2fsh s LEU 158 CO 0.02 -0.34 1.56 -0.81 0.23 0.00 0.00 176.35 177.00 2fsh n PRO 159 N 1.01 2.33 0.00 1.29 -0.04 -1.26 -3.02 135.00 135.31 2fsh n PRO 159 Ca -0.20 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2fsh n PRO 159 Cb 0.57 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2fsh n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fsh n GLY 160 N 2.91 1.74 3.71 0.55 0.00 -1.26 -5.02 105.19 107.83 2fsh n GLY 160 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2fsh n GLY 160 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fsh s MET 161 N -0.59 4.27 0.71 1.61 0.00 -1.17 -4.95 119.30 119.18 2fsh s MET 161 Ca 0.00 2.20 -0.16 0.00 0.00 0.00 0.00 55.69 57.73 2fsh s MET 161 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 34.83 31.61 2fsh s MET 161 CO 0.00 -0.53 1.25 -2.30 0.00 0.00 0.00 175.02 173.44 2fsh n PRO 162 N 4.11 0.75 -0.29 4.11 -0.02 -1.26 -4.68 135.00 137.72 2fsh n PRO 162 Ca 0.13 0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2fsh n PRO 162 Cb 0.41 -2.49 0.12 0.00 -0.02 0.00 0.00 33.50 31.53 2fsh n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsh h ALA 163 N -0.03 1.11 -0.76 3.55 0.00 -1.99 -0.53 119.26 120.61 2fsh h ALA 163 Ca -0.49 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.50 2fsh h ALA 163 Cb 1.32 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2fsh h ALA 163 CO 0.50 0.26 0.41 -1.35 0.00 0.00 0.00 179.25 179.07 2fsh h PRO 164 N 0.94 0.67 -0.51 0.00 0.11 -1.99 0.71 132.00 131.93 2fsh h PRO 164 Ca 0.35 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.37 2fsh h PRO 164 Cb 0.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2fsh h PRO 164 CO -0.16 0.44 0.10 0.00 -0.21 0.00 0.00 178.00 178.17 2fsh h ALA 165 N 1.44 0.68 -0.60 -0.75 0.00 -1.76 -0.80 119.26 117.46 2fsh h ALA 165 Ca 0.37 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2fsh h ALA 165 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2fsh h ALA 165 CO -0.26 0.39 0.39 0.87 0.00 0.00 0.00 179.25 180.64 2fsh h LYS 166 N 0.72 0.76 -0.46 0.00 1.57 -0.42 -0.79 116.57 117.94 2fsh h LYS 166 Ca 0.16 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 2fsh h LYS 166 Cb 0.37 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2fsh h LYS 166 CO 0.01 0.50 0.10 0.00 -0.57 0.00 0.00 179.45 179.49 2fsh h ARG 167 N 0.78 0.24 -0.50 3.15 3.08 -0.45 0.26 114.38 120.94 2fsh h ARG 167 Ca 0.23 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.30 2fsh h ARG 167 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2fsh h ARG 167 CO -0.07 0.16 0.27 0.93 -1.07 0.00 0.00 179.97 180.19 2fsh h GLU 168 N 0.24 0.52 -0.66 0.04 5.08 -0.80 -0.15 114.58 118.85 2fsh h GLU 168 Ca 0.23 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2fsh h GLU 168 Cb 0.29 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2fsh h GLU 168 CO -0.29 0.34 0.20 0.00 -1.00 0.00 0.00 179.01 178.27 2fsh h ALA 169 N 1.25 1.12 0.00 3.43 0.00 -0.33 -1.97 119.26 122.76 2fsh h ALA 169 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fsh h ALA 169 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2fsh h ALA 169 CO -0.13 0.61 0.00 1.88 0.00 0.00 0.00 179.25 181.61 2fsh h TYR 170 N 0.97 0.00 -0.00 0.00 -1.99 -0.70 -3.06 116.97 112.19 2fsh h TYR 170 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 2fsh h TYR 170 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2fsh h TYR 170 CO 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 178.16 177.94 2fsh n ALA 171 N -2.07 3.00 -1.32 3.88 0.00 -0.09 -4.76 120.51 119.16 2fsh n ALA 171 Ca 0.03 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2fsh n ALA 171 Cb 0.45 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.76 2fsh n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh s ALA 172 N -2.65 2.12 0.27 0.00 0.00 -0.95 -4.95 121.76 115.60 2fsh s ALA 172 Ca 0.22 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 2fsh s ALA 172 Cb 0.19 -3.22 0.34 0.00 0.00 0.00 0.00 23.12 20.43 2fsh s ALA 172 CO 0.55 -1.85 1.94 -0.44 0.00 0.00 0.00 175.76 175.95 2fsh h ASP 173 N -1.18 1.05 -3.71 0.00 3.32 -1.76 -3.43 116.42 110.71 2fsh h ASP 173 Ca -0.46 -0.04 -0.34 0.00 0.02 0.00 0.00 57.03 56.22 2fsh h ASP 173 Cb 1.25 -0.26 -0.31 0.00 0.22 0.00 0.00 39.33 40.22 2fsh h ASP 173 CO 0.54 0.78 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.45 2fsh s ILE 174 N -5.98 0.36 0.04 0.35 1.01 -1.10 -2.60 121.20 113.28 2fsh s ILE 174 Ca -0.12 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2fsh s ILE 174 Cb 0.18 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 2fsh s ILE 174 CO 0.81 0.14 -0.24 -0.89 0.00 0.00 0.00 174.94 174.76 2fsh s THR 175 N 0.37 1.95 0.03 2.92 2.01 0.28 0.10 115.64 123.31 2fsh s THR 175 Ca -0.04 -1.30 0.09 0.00 0.31 0.00 0.00 61.69 60.75 2fsh s THR 175 Cb -0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2fsh s THR 175 CO -0.00 0.31 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.67 2fsh s TYR 176 N -0.79 2.33 -0.14 4.92 2.02 0.51 -0.16 117.35 126.04 2fsh s TYR 176 Ca 0.10 -0.41 -0.34 0.00 -0.37 0.00 0.00 57.07 56.04 2fsh s TYR 176 Cb -0.09 -1.41 0.15 0.00 -0.40 0.00 0.00 41.96 40.20 2fsh s TYR 176 CO 0.02 0.10 1.40 0.20 -1.57 0.00 0.00 175.55 175.70 2fsh s GLY 177 N -1.14 -0.40 0.60 0.71 0.00 -0.90 -1.35 107.32 104.84 2fsh s GLY 177 Ca 0.11 1.21 -0.13 0.00 0.00 0.00 0.00 44.72 45.91 2fsh s GLY 177 CO 0.02 0.31 1.03 -0.51 0.00 0.00 0.00 173.10 173.94 2fsh s THR 178 N -2.09 4.32 0.20 0.90 -4.23 -1.26 -1.41 115.64 112.07 2fsh s THR 178 Ca 0.14 0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 61.44 2fsh s THR 178 Cb 0.05 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.46 2fsh s THR 178 CO -0.05 -0.82 1.65 -0.55 -0.54 0.00 0.00 174.62 174.31 2fsh h ASN 179 N 0.09 -0.42 -0.59 3.99 -1.07 -1.90 -2.39 115.58 113.30 2fsh h ASN 179 Ca -0.45 0.16 0.10 0.00 0.07 0.00 0.00 56.30 56.17 2fsh h ASN 179 Cb 1.20 0.32 -0.07 0.00 -2.07 0.00 0.00 38.32 37.69 2fsh h ASN 179 CO 0.60 -0.16 0.19 0.78 0.07 0.00 0.00 177.43 178.91 2fsh h ASN 180 N 0.05 0.15 -0.07 6.14 2.35 -1.93 -1.95 115.58 120.32 2fsh h ASN 180 Ca 0.29 0.09 -0.24 0.00 -0.55 0.00 0.00 56.30 55.88 2fsh h ASN 180 Cb 0.46 0.08 0.02 0.00 0.05 0.00 0.00 38.32 38.93 2fsh h ASN 180 CO -0.56 0.10 -0.90 -0.08 -1.65 0.00 0.00 177.43 174.34 2fsh h GLU 181 N 0.36 0.74 -0.46 0.81 4.57 -1.86 -0.90 114.58 117.83 2fsh h GLU 181 Ca 0.30 -0.70 0.09 0.00 -1.18 0.00 0.00 59.36 57.87 2fsh h GLU 181 Cb 0.39 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.06 2fsh h GLU 181 CO -0.32 1.29 -0.32 1.88 -1.18 0.00 0.00 179.01 180.36 2fsh h TYR 182 N 0.44 -0.87 -0.60 0.92 0.05 -1.29 -1.40 116.97 114.22 2fsh h TYR 182 Ca -0.09 0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2fsh h TYR 182 Cb 1.55 0.45 -0.02 0.00 1.01 0.00 0.00 36.73 39.71 2fsh h TYR 182 CO 0.10 -0.37 0.14 0.78 -1.05 0.00 0.00 178.16 177.75 2fsh h GLY 183 N -0.22 1.04 1.00 3.88 0.00 -1.14 -2.30 103.07 105.34 2fsh h GLY 183 Ca 0.19 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2fsh h GLY 183 CO -0.58 0.61 0.24 0.74 0.00 0.00 0.00 176.54 177.56 2fsh h PHE 184 N 0.88 0.95 -0.79 5.60 0.04 -1.03 -1.68 116.94 120.91 2fsh h PHE 184 Ca 0.19 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2fsh h PHE 184 Cb 0.36 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 2fsh h PHE 184 CO 0.03 0.75 0.46 -0.44 -0.60 0.00 0.00 178.31 178.51 2fsh h ASP 185 N 0.87 0.95 -0.56 2.17 3.32 -1.07 -0.73 116.42 121.37 2fsh h ASP 185 Ca 0.21 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2fsh h ASP 185 Cb 0.21 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2fsh h ASP 185 CO -0.02 0.74 0.33 0.22 -1.72 0.00 0.00 179.24 178.80 2fsh h TYR 186 N 1.09 0.62 -0.21 4.55 3.20 -0.87 0.14 116.97 125.49 2fsh h TYR 186 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 2fsh h TYR 186 Cb -0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2fsh h TYR 186 CO 0.01 0.35 0.00 -0.07 -1.64 0.00 0.00 178.16 176.81 2fsh h LEU 187 N 0.66 0.36 -0.96 2.82 3.38 -0.77 -2.47 115.31 118.33 2fsh h LEU 187 Ca 0.23 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2fsh h LEU 187 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2fsh h LEU 187 CO -0.10 0.58 -0.24 0.03 0.09 0.00 0.00 178.44 178.80 2fsh h ARG 188 N 0.14 0.47 -0.34 1.13 3.08 -1.03 -1.41 114.38 116.42 2fsh h ARG 188 Ca 0.06 -0.17 0.08 0.00 0.07 0.00 0.00 59.98 60.02 2fsh h ARG 188 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2fsh h ARG 188 CO 0.01 0.68 0.24 -0.44 -1.07 0.00 0.00 179.97 179.39 2fsh h ASP 189 N 0.42 0.08 -0.45 7.04 5.19 -0.81 -0.98 116.42 126.91 2fsh h ASP 189 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2fsh h ASP 189 Cb 0.65 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2fsh h ASP 189 CO 0.05 0.05 0.00 0.59 -3.12 0.00 0.00 179.24 176.81 2fsh n ASN 190 N -4.46 2.45 -0.26 6.45 3.02 -0.56 -3.08 115.26 118.83 2fsh n ASN 190 Ca 0.05 -2.01 0.03 0.00 -0.03 0.00 0.00 54.58 52.62 2fsh n ASN 190 Cb 0.35 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.24 2fsh n ASN 190 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsh n MET 191 N 0.82 0.41 -2.20 3.52 2.81 -0.39 -5.05 117.12 117.05 2fsh n MET 191 Ca 0.15 -1.03 -0.37 0.00 -1.81 0.00 0.00 57.70 54.64 2fsh n MET 191 Cb 0.39 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 31.78 2fsh n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsh s ALA 192 N -0.59 2.91 -1.77 3.04 0.00 -1.11 -4.96 121.76 119.29 2fsh s ALA 192 Ca 0.08 0.97 0.20 0.00 0.00 0.00 0.00 51.96 53.21 2fsh s ALA 192 Cb 0.05 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2fsh s ALA 192 CO 0.08 -0.77 0.98 1.19 0.00 0.00 0.00 175.76 177.24 2fsh n PHE 193 N -0.67 0.00 -3.81 0.00 3.01 -1.26 -4.94 117.46 109.78 2fsh n PHE 193 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 2fsh n PHE 193 Cb 0.48 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.86 2fsh n PHE 193 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2fsh s SER 194 N -2.27 -0.11 0.52 4.37 1.04 -1.26 -4.96 113.70 111.03 2fsh s SER 194 Ca 0.16 0.01 0.28 0.00 0.48 0.00 0.00 55.95 56.88 2fsh s SER 194 Cb 0.16 0.29 1.44 0.00 0.10 0.00 0.00 66.02 68.01 2fsh s SER 194 CO 0.52 -0.37 2.06 1.55 0.98 0.00 0.00 173.24 177.97 2fsh h PRO 195 N 4.26 0.00 0.00 4.02 0.13 -1.93 -2.07 132.00 136.41 2fsh h PRO 195 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2fsh h PRO 195 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2fsh h PRO 195 CO 0.40 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.43 2fsh n GLU 196 N -3.55 0.21 0.22 0.86 0.00 -1.26 -2.08 120.64 115.04 2fsh n GLU 196 Ca -0.02 0.33 0.10 0.00 0.00 0.00 0.00 57.16 57.57 2fsh n GLU 196 Cb 0.25 -1.83 0.40 0.00 0.00 0.00 0.00 31.44 30.26 2fsh n GLU 196 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2fsh h GLU 197 N 0.00 0.00 -7.04 3.44 5.08 -1.79 -3.46 114.58 110.80 2fsh h GLU 197 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 2fsh h GLU 197 Cb 0.51 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.90 2fsh h GLU 197 CO 0.00 0.22 0.61 0.54 -1.00 0.00 0.00 179.01 179.37 2fsh n ARG 198 N -3.31 1.70 -0.05 2.33 1.74 -0.88 -4.95 116.66 113.24 2fsh n ARG 198 Ca 0.01 0.63 -0.03 0.00 -0.77 0.00 0.00 57.85 57.68 2fsh n ARG 198 Cb 0.46 -2.58 -0.10 0.00 -1.02 0.00 0.00 32.46 29.22 2fsh n ARG 198 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2fsh n VAL 199 N -1.04 0.67 -2.84 1.55 0.24 -1.26 -4.93 118.33 110.72 2fsh n VAL 199 Ca 0.10 -0.49 -0.26 0.00 -2.04 0.00 0.00 64.34 61.65 2fsh n VAL 199 Cb 0.45 -0.47 -0.00 0.00 -1.47 0.00 0.00 33.84 32.35 2fsh n VAL 199 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fsh s GLN 200 N -2.46 3.52 0.59 7.34 -0.21 -1.26 -4.35 119.66 122.83 2fsh s GLN 200 Ca -0.06 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.41 2fsh s GLN 200 Cb 0.05 -2.46 0.07 0.00 1.00 0.00 0.00 33.01 31.68 2fsh s GLN 200 CO 0.53 -0.11 0.81 1.03 -2.12 0.00 0.00 175.29 175.43 2fsh s ARG 201 N -4.63 2.26 0.28 2.91 0.52 -1.26 -5.06 118.95 113.97 2fsh s ARG 201 Ca 0.45 -1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 2fsh s ARG 201 Cb -0.10 -2.53 -0.14 0.00 0.52 0.00 0.00 34.95 32.70 2fsh s ARG 201 CO 0.42 -0.90 1.09 1.17 0.02 0.00 0.00 175.30 177.11 2fsh n LYS 202 N -2.38 1.47 -2.56 3.54 4.81 -1.26 -4.80 118.16 116.98 2fsh n LYS 202 Ca 0.12 0.52 -0.43 0.00 -0.87 0.00 0.00 58.31 57.65 2fsh n LYS 202 Cb 0.60 -1.95 -0.02 0.00 0.02 0.00 0.00 35.03 33.68 2fsh n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2fsh s LEU 203 N 0.27 3.56 -0.07 3.14 1.43 -1.26 -4.89 118.68 120.86 2fsh s LEU 203 Ca 0.61 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 2fsh s LEU 203 Cb -0.70 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2fsh s LEU 203 CO 0.58 -1.37 -0.13 1.57 0.23 0.00 0.00 176.35 177.23 2fsh n HIS 204 N 8.24 0.07 -3.86 0.29 -0.00 -1.26 -2.08 115.22 116.63 2fsh n HIS 204 Ca 0.11 0.03 -0.20 0.00 -0.00 0.00 0.00 57.72 57.67 2fsh n HIS 204 Cb 0.49 -0.26 -0.17 0.00 -0.00 0.00 0.00 29.99 30.05 2fsh n HIS 204 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2fsh s TYR 205 N -1.75 0.42 -0.15 1.57 5.04 -1.26 -0.13 117.35 121.08 2fsh s TYR 205 Ca -0.11 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 2fsh s TYR 205 Cb 0.02 -0.56 0.01 0.00 0.35 0.00 0.00 41.96 41.78 2fsh s TYR 205 CO 0.16 -0.21 -0.21 0.00 -1.34 0.00 0.00 175.55 173.96 2fsh s ALA 206 N 1.50 2.28 -0.29 3.97 0.00 -0.89 -0.44 121.76 127.88 2fsh s ALA 206 Ca -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 2fsh s ALA 206 Cb -0.13 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.96 2fsh s ALA 206 CO -0.03 -0.14 0.03 -1.17 0.00 0.00 0.00 175.76 174.44 2fsh s LEU 207 N 0.99 3.75 -0.30 0.00 2.96 0.13 -1.27 118.68 124.93 2fsh s LEU 207 Ca -0.03 -0.95 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 2fsh s LEU 207 Cb -0.15 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2fsh s LEU 207 CO -0.06 -0.21 0.18 -0.69 -1.32 0.00 0.00 176.35 174.25 2fsh s VAL 208 N 1.38 5.00 0.17 1.68 1.01 0.22 -1.09 120.40 128.78 2fsh s VAL 208 Ca -0.01 -0.12 0.18 0.00 0.00 0.00 0.00 61.98 62.04 2fsh s VAL 208 Cb -0.18 -3.46 0.13 0.00 0.00 0.00 0.00 36.38 32.86 2fsh s VAL 208 CO -0.00 0.15 1.73 0.44 0.00 0.00 0.00 175.10 177.42 2fsh h ASP 209 N 8.38 0.00 -2.21 3.32 3.32 -1.39 -0.59 116.42 127.24 2fsh h ASP 209 Ca -0.34 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.36 2fsh h ASP 209 Cb 1.17 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.38 2fsh h ASP 209 CO 0.59 0.38 -0.65 -1.83 -1.72 0.00 0.00 179.24 176.01 2fsh s GLU 210 N -3.62 0.31 0.36 3.56 -1.05 -1.23 -4.39 118.70 112.64 2fsh s GLU 210 Ca -0.00 -0.18 0.19 0.00 -0.15 0.00 0.00 54.97 54.84 2fsh s GLU 210 Cb 0.11 -0.71 0.43 0.00 -0.44 0.00 0.00 34.13 33.52 2fsh s GLU 210 CO 0.69 -1.03 1.61 -0.39 0.95 0.00 0.00 175.26 177.10 2fsh h VAL 211 N 6.28 0.64 -0.16 1.83 -1.51 -1.48 -2.60 116.25 119.24 2fsh h VAL 211 Ca -0.14 -1.64 0.03 0.00 -1.23 0.00 0.00 66.70 63.72 2fsh h VAL 211 Cb 1.07 2.12 -0.03 0.00 -2.13 0.00 0.00 31.29 32.31 2fsh h VAL 211 CO 0.35 0.33 -0.05 0.44 -1.23 0.00 0.00 177.57 177.40 2fsh h ASP 212 N 0.00 -0.17 0.05 4.19 3.32 -1.96 0.28 116.42 122.12 2fsh h ASP 212 Ca -0.00 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2fsh h ASP 212 Cb 1.09 0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.76 2fsh h ASP 212 CO 0.04 -0.06 -0.38 0.77 -1.72 0.00 0.00 179.24 177.89 2fsh h SER 213 N -0.01 0.24 -0.26 6.45 4.64 -1.96 -1.87 113.55 120.78 2fsh h SER 213 Ca 0.08 -0.92 -0.15 0.00 -0.47 0.00 0.00 61.79 60.32 2fsh h SER 213 Cb 0.13 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2fsh h SER 213 CO -0.17 1.14 -0.40 0.40 -0.87 0.00 0.00 176.83 176.93 2fsh h ILE 214 N -0.62 1.28 0.00 0.95 2.04 -1.39 -2.58 117.51 117.18 2fsh h ILE 214 Ca -0.06 -1.57 -0.35 0.00 1.00 0.00 0.00 64.86 63.88 2fsh h ILE 214 Cb 1.25 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.71 2fsh h ILE 214 CO 0.07 0.52 -2.30 0.18 0.00 0.00 0.00 178.15 176.62 2fsh n LEU 215 N -4.04 0.25 -0.08 1.44 4.77 0.95 -4.12 117.00 116.16 2fsh n LEU 215 Ca -0.02 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2fsh n LEU 215 Cb 0.54 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 2fsh n LEU 215 CO 0.47 0.50 -0.59 -0.38 -1.33 0.00 0.00 177.39 176.07 2fsh n ILE 216 N -2.74 1.42 -0.13 -0.08 2.08 -1.06 -3.54 119.36 115.31 2fsh n ILE 216 Ca -0.32 0.17 -0.04 0.00 0.56 0.00 0.00 62.75 63.12 2fsh n ILE 216 Cb 1.10 -2.32 0.15 0.00 -0.75 0.00 0.00 39.64 37.82 2fsh n ILE 216 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2fsh h ASP 217 N -0.96 0.80 -0.60 4.38 3.32 -1.30 -2.55 116.42 119.51 2fsh h ASP 217 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2fsh h ASP 217 Cb 0.87 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2fsh h ASP 217 CO 0.00 0.84 0.00 -0.62 -1.72 0.00 0.00 179.24 177.74 2fsh n GLU 218 N -4.23 2.80 -0.35 3.56 1.02 -0.98 -4.64 120.64 117.82 2fsh n GLU 218 Ca 0.03 -2.45 0.12 0.00 -0.02 0.00 0.00 57.16 54.84 2fsh n GLU 218 Cb 0.28 -1.47 0.24 0.00 -0.02 0.00 0.00 31.44 30.48 2fsh n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsh h ALA 219 N 3.47 1.00 -0.16 0.62 0.00 -1.50 -2.07 119.26 120.62 2fsh h ALA 219 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2fsh h ALA 219 Cb 0.90 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2fsh h ALA 219 CO 0.00 -0.51 0.00 0.54 0.00 0.00 0.00 179.25 179.28 2fsh n ARG 220 N -5.54 2.24 -1.95 0.00 1.74 -1.26 -1.29 116.66 110.60 2fsh n ARG 220 Ca 0.21 -1.83 -0.42 0.00 -0.77 0.00 0.00 57.85 55.03 2fsh n ARG 220 Cb 0.67 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2fsh n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2fsh s THR 221 N -1.81 3.49 0.14 0.55 2.01 -0.78 -4.84 115.64 114.40 2fsh s THR 221 Ca 0.33 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2fsh s THR 221 Cb 0.21 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 2fsh s THR 221 CO 0.31 -0.10 1.07 -2.84 -0.69 0.00 0.00 174.62 172.37 2fsh s PRO 222 N 4.37 4.60 -0.13 4.92 0.02 -1.26 -3.02 135.00 144.50 2fsh s PRO 222 Ca 0.77 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 63.25 2fsh s PRO 222 Cb -0.33 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 2fsh s PRO 222 CO 0.32 0.06 0.46 -0.51 -0.33 0.00 0.00 177.00 177.00 2fsh s LEU 223 N -0.03 4.26 -0.05 -5.54 1.43 0.36 -4.98 118.68 114.14 2fsh s LEU 223 Ca 0.50 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 2fsh s LEU 223 Cb -0.27 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.31 2fsh s LEU 223 CO 0.32 -0.00 -0.05 -0.63 0.23 0.00 0.00 176.35 176.22 2fsh s ILE 224 N 0.67 0.60 -0.21 -0.59 1.01 -1.26 -2.03 121.20 119.39 2fsh s ILE 224 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2fsh s ILE 224 Cb -0.15 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 2fsh s ILE 224 CO 0.10 0.24 0.13 -0.63 0.00 0.00 0.00 174.94 174.77 2fsh s ILE 225 N 0.88 5.26 0.27 2.92 1.01 -0.48 -5.02 121.20 126.03 2fsh s ILE 225 Ca -0.12 0.14 0.12 0.00 0.00 0.00 0.00 60.65 60.79 2fsh s ILE 225 Cb -0.14 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 2fsh s ILE 225 CO 0.01 0.41 -0.20 -0.44 0.00 0.00 0.00 174.94 174.71 2fsh s SER 226 N 0.64 3.53 -0.06 3.58 0.01 -1.26 -0.02 113.70 120.12 2fsh s SER 226 Ca 0.07 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 2fsh s SER 226 Cb -0.12 -0.29 0.09 0.00 0.21 0.00 0.00 66.02 65.91 2fsh s SER 226 CO 0.01 0.04 0.80 -0.83 0.41 0.00 0.00 173.24 173.66 2fsh s GLY 227 N -3.42 -0.47 0.18 3.44 0.00 -0.11 -4.86 107.32 102.09 2fsh s GLY 227 Ca 0.29 1.42 -0.13 0.00 0.00 0.00 0.00 44.72 46.30 2fsh s GLY 227 CO 0.14 0.82 1.80 -2.55 0.00 0.00 0.00 173.10 173.32 2fsh h PRO 228 N 2.64 0.83 0.00 2.90 0.11 -1.86 -0.59 132.00 136.03 2fsh h PRO 228 Ca -0.24 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2fsh h PRO 228 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2fsh h PRO 228 CO 0.35 0.62 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2fsh n ALA 229 N -2.30 0.00 -1.88 -0.75 0.00 -1.26 -4.34 120.51 109.98 2fsh n ALA 229 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2fsh n ALA 229 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.65 2fsh n ALA 229 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2fsh n GLU 230 N 0.00 -0.58 -0.03 0.00 4.71 -1.26 -4.85 120.64 118.63 2fsh n GLU 230 Ca 0.00 -1.53 -0.07 0.00 -0.01 0.00 0.00 57.16 55.55 2fsh n GLU 230 Cb 0.00 -0.78 -0.02 0.00 -1.01 0.00 0.00 31.44 29.62 2fsh n GLU 230 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2fsh n ASP 231 N -3.39 1.15 0.00 1.62 5.75 -1.26 -5.14 116.55 115.28 2fsh n ASP 231 Ca 0.11 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2fsh n ASP 231 Cb 0.39 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2fsh n ASP 231 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2fsh n SER 232 N -3.71 0.00 0.00 -1.12 2.88 -1.26 -5.18 113.62 105.24 2fsh n SER 232 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2fsh n SER 232 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2fsh n SER 232 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2fsh n VAL 280 N 0.00 0.00 -0.22 2.46 0.31 -1.26 -5.00 118.33 114.62 2fsh n VAL 280 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2fsh n VAL 280 Cb 0.00 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.28 2fsh n VAL 280 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2fsh h LEU 281 N 0.00 0.69 -1.00 7.52 3.38 -2.06 -1.81 115.31 122.02 2fsh h LEU 281 Ca 0.00 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.35 2fsh h LEU 281 Cb 0.00 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.46 2fsh h LEU 281 CO 0.00 0.42 0.56 -0.29 0.09 0.00 0.00 178.44 179.21 2fsh h ILE 282 N 0.77 0.17 0.79 1.22 6.09 -2.04 -3.25 117.51 121.25 2fsh h ILE 282 Ca 0.36 -0.06 -0.04 0.00 -1.37 0.00 0.00 64.86 63.75 2fsh h ILE 282 Cb 0.39 -0.03 0.01 0.00 0.47 0.00 0.00 36.82 37.66 2fsh h ILE 282 CO -0.14 0.03 -0.38 -0.08 -3.07 0.00 0.00 178.15 174.52 2fsh h GLU 283 N 0.18 -1.03 -0.03 2.19 4.22 -1.75 0.86 114.58 119.23 2fsh h GLU 283 Ca 0.79 0.07 -0.15 0.00 0.08 0.00 0.00 59.36 60.15 2fsh h GLU 283 Cb 1.93 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 2fsh h GLU 283 CO -0.68 -0.68 -0.66 1.05 -2.18 0.00 0.00 179.01 175.86 2fsh h GLU 284 N -1.19 0.15 0.34 1.92 9.09 -1.78 0.89 114.58 124.00 2fsh h GLU 284 Ca -0.11 -0.11 -0.00 0.00 0.05 0.00 0.00 59.36 59.19 2fsh h GLU 284 Cb 0.82 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.91 2fsh h GLU 284 CO 0.18 0.75 -0.36 -0.07 0.05 0.00 0.00 179.01 179.56 2fsh h LEU 285 N 0.11 -0.97 -0.09 3.06 4.07 -1.59 -3.15 115.31 116.75 2fsh h LEU 285 Ca -0.01 0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.07 2fsh h LEU 285 Cb 1.17 0.33 -0.06 0.00 1.08 0.00 0.00 40.66 43.18 2fsh h LEU 285 CO 0.10 -0.50 -0.44 0.25 -1.08 0.00 0.00 178.44 176.77 2fsh h LEU 286 N -0.73 -1.35 -9.47 1.67 6.46 0.15 -3.41 115.31 108.62 2fsh h LEU 286 Ca -0.02 0.17 -0.56 0.00 -0.12 0.00 0.00 57.88 57.35 2fsh h LEU 286 Cb 0.66 0.54 0.04 0.00 -0.73 0.00 0.00 40.66 41.18 2fsh h LEU 286 CO -0.07 -0.45 1.03 0.55 -0.62 0.00 0.00 178.44 178.88 2fsh n VAL 287 N -5.44 0.31 0.00 1.05 3.14 0.24 -4.76 118.33 112.87 2fsh n VAL 287 Ca -0.05 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2fsh n VAL 287 Cb 0.37 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 2fsh n VAL 287 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2fsh n LYS 288 N 5.25 0.00 0.00 1.45 2.85 -1.26 -4.92 118.16 121.52 2fsh n LYS 288 Ca 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 2fsh n LYS 288 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 2fsh n LYS 288 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2fsh n GLU 289 N 1.55 0.00 0.10 -1.58 -0.58 -1.24 -4.60 120.64 114.28 2fsh n GLU 289 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2fsh n GLU 289 Cb 0.00 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.02 2fsh n GLU 289 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2fsh h GLY 290 N 0.00 0.21 -5.13 0.62 0.00 -2.02 -3.41 103.07 93.34 2fsh h GLY 290 Ca 0.00 -0.25 -0.68 0.00 0.00 0.00 0.00 47.33 46.40 2fsh h GLY 290 CO 0.00 0.22 -0.79 -0.42 0.00 0.00 0.00 176.54 175.55 2fsh s ILE 291 N -3.78 2.86 0.17 2.60 1.09 -1.26 -4.93 121.20 117.95 2fsh s ILE 291 Ca -0.04 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.74 2fsh s ILE 291 Cb 0.12 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.39 2fsh s ILE 291 CO 0.79 0.57 0.00 0.23 -0.10 0.00 0.00 174.94 176.42 2fsh n MET 292 N 2.80 -4.89 0.00 2.79 2.81 -1.26 -5.03 117.12 114.34 2fsh n MET 292 Ca -0.17 3.53 0.00 0.00 -1.81 0.00 0.00 57.70 59.25 2fsh n MET 292 Cb 0.52 -3.76 0.00 0.00 -0.71 0.00 0.00 33.22 29.27 2fsh n MET 292 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2fsh n ASP 293 N 1.67 0.00 0.05 7.83 3.85 -1.26 -3.69 116.55 125.00 2fsh n ASP 293 Ca 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 54.11 2fsh n ASP 293 Cb 0.00 0.00 0.42 0.00 -1.35 0.00 0.00 41.12 40.19 2fsh n ASP 293 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2fsh h GLU 294 N 0.00 0.42 0.00 0.11 4.57 -1.97 -3.47 114.58 114.23 2fsh h GLU 294 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2fsh h GLU 294 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2fsh h GLU 294 CO 0.00 0.36 0.00 0.41 -1.18 0.00 0.00 179.01 178.60 2fsh n GLY 295 N -1.25 0.77 3.00 1.92 0.00 -1.26 -5.14 105.19 103.24 2fsh n GLY 295 Ca 0.01 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2fsh n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fsh s GLU 296 N -1.51 1.74 -0.24 1.61 2.12 -1.26 -5.09 118.70 116.07 2fsh s GLU 296 Ca 0.00 -0.40 -0.38 0.00 0.36 0.00 0.00 54.97 54.55 2fsh s GLU 296 Cb 0.00 -1.51 -0.14 0.00 0.26 0.00 0.00 34.13 32.74 2fsh s GLU 296 CO 0.00 -0.05 1.86 0.45 -0.54 0.00 0.00 175.26 176.98 2fsh n SER 297 N 4.11 2.64 0.07 -1.70 2.88 -1.26 -4.87 113.62 115.49 2fsh n SER 297 Ca -0.20 0.94 0.19 0.00 -1.33 0.00 0.00 58.87 58.47 2fsh n SER 297 Cb 0.51 -1.22 0.73 0.00 -0.75 0.00 0.00 64.21 63.48 2fsh n SER 297 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2fsh h LEU 298 N 8.63 0.00 -4.92 2.46 5.85 -1.95 -2.59 115.31 122.80 2fsh h LEU 298 Ca -0.44 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.64 2fsh h LEU 298 Cb 1.31 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.96 2fsh h LEU 298 CO 0.97 0.00 -0.21 0.00 -0.34 0.00 0.00 178.44 178.86 2fsh n TYR 299 N -4.13 3.42 -2.27 1.25 0.18 -1.26 -4.48 117.16 109.87 2fsh n TYR 299 Ca 0.07 -3.11 -0.32 0.00 1.88 0.00 0.00 57.90 56.42 2fsh n TYR 299 Cb 0.53 -0.48 -0.02 0.00 -0.38 0.00 0.00 39.34 39.00 2fsh n TYR 299 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2fsh s SER 300 N -2.87 6.28 0.20 9.48 1.04 -0.98 -4.96 113.70 121.90 2fsh s SER 300 Ca 0.48 1.69 -0.13 0.00 0.48 0.00 0.00 55.95 58.47 2fsh s SER 300 Cb 0.37 -2.52 0.23 0.00 0.10 0.00 0.00 66.02 64.19 2fsh s SER 300 CO -0.22 -0.82 1.65 -0.65 0.98 0.00 0.00 173.24 174.17 2fsh h PRO 301 N 0.77 0.03 -0.65 4.02 0.11 -1.93 -1.85 132.00 132.50 2fsh h PRO 301 Ca -0.47 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2fsh h PRO 301 Cb 1.20 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 2fsh h PRO 301 CO 0.60 0.02 -0.20 0.00 -0.21 0.00 0.00 178.00 178.21 2fsh n ALA 302 N -2.91 0.06 -1.01 -0.75 0.00 -1.26 -1.73 120.51 112.91 2fsh n ALA 302 Ca 0.07 0.69 -0.09 0.00 0.00 0.00 0.00 53.44 54.11 2fsh n ALA 302 Cb 0.32 -0.37 0.28 0.00 0.00 0.00 0.00 19.45 19.67 2fsh n ALA 302 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fsh n ASN 303 N -5.02 4.59 -0.17 0.00 3.02 -0.70 -4.65 115.26 112.33 2fsh n ASN 303 Ca 0.09 -3.25 -0.10 0.00 -0.03 0.00 0.00 54.58 51.28 2fsh n ASN 303 Cb 0.30 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2fsh n ASN 303 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2fsh h ILE 304 N 2.30 1.27 -0.54 2.41 6.09 -1.36 -1.61 117.51 126.07 2fsh h ILE 304 Ca 0.33 -1.18 -0.03 0.00 -1.37 0.00 0.00 64.86 62.61 2fsh h ILE 304 Cb 2.41 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 40.72 2fsh h ILE 304 CO 0.80 0.41 0.20 0.24 -3.07 0.00 0.00 178.15 176.73 2fsh h MET 305 N 0.76 0.82 -0.20 2.19 2.86 -1.84 -0.86 114.93 118.66 2fsh h MET 305 Ca 0.13 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2fsh h MET 305 Cb 0.61 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 2fsh h MET 305 CO 0.04 0.72 -0.30 1.25 1.06 0.00 0.00 176.91 179.68 2fsh h LEU 306 N 0.74 -0.94 -1.84 1.22 6.46 -1.85 -0.50 115.31 118.60 2fsh h LEU 306 Ca 0.18 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 2fsh h LEU 306 Cb 0.22 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2fsh h LEU 306 CO -0.01 -0.33 -0.13 -0.03 -0.62 0.00 0.00 178.44 177.32 2fsh h MET 307 N -0.33 0.00 -0.04 1.25 4.05 -1.17 -0.10 114.93 118.59 2fsh h MET 307 Ca 0.12 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.38 2fsh h MET 307 Cb 0.52 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 2fsh h MET 307 CO -0.39 0.13 -0.71 1.25 0.23 0.00 0.00 176.91 177.43 2fsh h HIS 308 N 0.00 0.26 -0.33 1.39 -0.00 -0.58 -0.12 115.15 115.76 2fsh h HIS 308 Ca -0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.23 2fsh h HIS 308 Cb 0.27 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2fsh h HIS 308 CO 0.00 0.83 0.14 0.45 -0.00 0.00 0.00 177.93 179.35 2fsh h HIS 309 N 0.13 0.50 -0.21 5.26 -0.00 0.60 -1.64 115.15 119.80 2fsh h HIS 309 Ca -0.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.18 2fsh h HIS 309 Cb 1.26 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2fsh h HIS 309 CO 0.02 0.47 -0.41 -0.39 -0.00 0.00 0.00 177.93 177.62 2fsh h VAL 310 N 0.39 1.32 -1.53 2.45 -1.51 -1.38 0.51 116.25 116.51 2fsh h VAL 310 Ca 0.11 -1.63 0.49 0.00 -1.23 0.00 0.00 66.70 64.44 2fsh h VAL 310 Cb 0.17 1.82 -0.12 0.00 -2.13 0.00 0.00 31.29 31.04 2fsh h VAL 310 CO -0.01 0.51 1.02 0.74 -1.23 0.00 0.00 177.57 178.60 2fsh h THR 311 N 0.35 0.05 0.18 7.19 2.02 -0.98 -1.42 112.91 120.30 2fsh h THR 311 Ca 0.01 -0.01 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 2fsh h THR 311 Cb 1.01 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2fsh h THR 311 CO 0.09 0.00 -1.57 0.00 0.37 0.00 0.00 175.52 174.41 2fsh h ALA 312 N 1.44 0.11 -1.40 6.16 0.00 0.06 -3.50 119.26 122.13 2fsh h ALA 312 Ca 0.88 -1.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.21 2fsh h ALA 312 Cb 3.02 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 21.02 2fsh h ALA 312 CO -0.32 0.98 1.07 0.00 0.00 0.00 0.00 179.25 180.97 2fsh s ALA 313 N -2.60 2.75 0.00 0.00 0.00 -0.47 -5.10 121.76 116.33 2fsh s ALA 313 Ca -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2fsh s ALA 313 Cb 0.06 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2fsh s ALA 313 CO 0.88 -3.25 0.00 1.04 0.00 0.00 0.00 175.76 174.43 2fsh n GLN 366 N 9.25 0.00 0.00 0.00 1.13 -1.26 -5.09 117.38 121.41 2fsh n GLN 366 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2fsh n GLN 366 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 2fsh n GLN 366 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2fsh n ASN 367 N 2.67 0.00 -0.37 1.08 2.85 -1.26 -5.17 115.26 115.06 2fsh n ASN 367 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2fsh n ASN 367 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2fsh n ASN 367 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2fsh n GLU 368 N -0.66 -0.97 -4.08 1.20 0.28 -1.26 -4.85 120.64 110.29 2fsh n GLU 368 Ca 0.00 0.75 -0.32 0.00 -0.16 0.00 0.00 57.16 57.44 2fsh n GLU 368 Cb 0.00 -0.93 -0.07 0.00 1.43 0.00 0.00 31.44 31.88 2fsh n GLU 368 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2fsh s ASN 369 N -3.38 5.58 0.17 -1.84 6.03 -1.26 -4.41 114.94 115.83 2fsh s ASN 369 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 52.86 51.89 2fsh s ASN 369 Cb 0.00 -1.54 -0.04 0.00 -3.03 0.00 0.00 41.25 36.64 2fsh s ASN 369 CO 0.00 0.22 0.05 0.00 -2.03 0.00 0.00 177.10 175.34 2fsh s GLN 370 N -2.09 1.07 0.12 3.55 -2.07 -0.23 -4.90 119.66 115.11 2fsh s GLN 370 Ca 0.26 -1.53 -0.31 0.00 -1.82 0.00 0.00 55.36 51.96 2fsh s GLN 370 Cb -0.12 0.02 -0.09 0.00 -1.09 0.00 0.00 33.01 31.72 2fsh s GLN 370 CO 0.18 -0.24 1.64 0.99 -1.32 0.00 0.00 175.29 176.55 2fsh s THR 371 N -3.90 2.74 -0.05 3.63 2.01 -1.26 -0.93 115.64 117.89 2fsh s THR 371 Ca 0.27 0.39 0.19 0.00 0.31 0.00 0.00 61.69 62.85 2fsh s THR 371 Cb 0.07 -3.25 -0.29 0.00 0.01 0.00 0.00 72.50 69.04 2fsh s THR 371 CO 0.05 0.01 0.37 0.18 -0.69 0.00 0.00 174.62 174.55 2fsh n LEU 372 N 4.84 0.00 -3.62 4.42 4.77 0.97 -4.82 117.00 123.57 2fsh n LEU 372 Ca 0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2fsh n LEU 372 Cb 0.39 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2fsh n LEU 372 CO 0.63 0.06 0.83 0.00 -1.33 0.00 0.00 177.39 177.58 2fsh s ALA 373 N -3.22 -2.00 -0.03 -1.18 0.00 -1.13 -4.86 121.76 109.34 2fsh s ALA 373 Ca -0.07 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.45 2fsh s ALA 373 Cb 0.11 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 22.02 2fsh s ALA 373 CO 0.79 -0.24 0.42 0.45 0.00 0.00 0.00 175.76 177.19 2fsh s SER 374 N -0.31 -0.34 -0.14 0.00 0.15 -1.26 -1.38 113.70 110.42 2fsh s SER 374 Ca 0.03 0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 2fsh s SER 374 Cb -0.03 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2fsh s SER 374 CO -0.05 -0.49 0.62 -0.51 1.20 0.00 0.00 173.24 174.01 2fsh s ILE 375 N -1.26 0.01 0.47 6.45 2.07 -0.86 -5.00 121.20 123.08 2fsh s ILE 375 Ca -0.13 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.02 2fsh s ILE 375 Cb -0.04 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 2fsh s ILE 375 CO 0.06 -0.03 0.77 0.42 -1.91 0.00 0.00 174.94 174.26 2fsh s THR 376 N -0.41 4.92 0.26 4.00 -4.23 -1.26 -0.49 115.64 118.43 2fsh s THR 376 Ca -0.06 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2fsh s THR 376 Cb -0.03 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.21 2fsh s THR 376 CO 0.05 -0.83 1.89 -0.26 -0.54 0.00 0.00 174.62 174.92 2fsh h PHE 377 N 0.26 1.21 -0.38 3.99 0.04 -1.49 -0.48 116.94 120.09 2fsh h PHE 377 Ca -0.47 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.33 2fsh h PHE 377 Cb 1.21 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 2fsh h PHE 377 CO 0.58 0.64 0.23 0.37 -0.60 0.00 0.00 178.31 179.53 2fsh h GLN 378 N 1.19 0.51 -0.00 1.51 4.15 -1.45 -1.55 115.11 119.48 2fsh h GLN 378 Ca 0.42 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.68 2fsh h GLN 378 Cb 0.13 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2fsh h GLN 378 CO -0.16 0.39 -0.57 -0.91 -1.93 0.00 0.00 178.83 175.64 2fsh h ASN 379 N 0.49 0.00 0.30 -0.69 2.35 -1.76 -2.61 115.58 113.66 2fsh h ASN 379 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2fsh h ASN 379 Cb 0.01 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2fsh h ASN 379 CO -0.03 0.57 -0.26 0.22 -1.65 0.00 0.00 177.43 176.29 2fsh h TYR 380 N 0.00 -0.68 0.00 1.19 3.20 -0.81 -3.13 116.97 116.73 2fsh h TYR 380 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2fsh h TYR 380 Cb 1.01 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 2fsh h TYR 380 CO 0.00 -0.38 -0.04 0.74 -1.64 0.00 0.00 178.16 176.84 2fsh h PHE 381 N -0.57 0.00 0.00 -3.82 0.04 -1.29 -0.82 116.94 110.48 2fsh h PHE 381 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2fsh h PHE 381 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2fsh h PHE 381 CO -0.15 0.04 0.00 0.54 -0.60 0.00 0.00 178.31 178.14 2fsh n ARG 382 N -3.33 0.74 0.18 1.51 1.74 -0.99 -2.91 116.66 113.60 2fsh n ARG 382 Ca -0.02 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2fsh n ARG 382 Cb 0.18 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2fsh n ARG 382 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2fsh h LEU 383 N 0.00 0.00 -9.94 0.55 3.38 -1.22 -3.46 115.31 104.62 2fsh h LEU 383 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2fsh h LEU 383 Cb 0.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.90 2fsh h LEU 383 CO 0.00 0.01 0.54 -0.31 0.09 0.00 0.00 178.44 178.76 2fsh s TYR 384 N -3.26 3.00 0.16 1.13 2.02 -1.15 -4.78 117.35 114.47 2fsh s TYR 384 Ca 0.04 1.51 -0.14 0.00 -0.37 0.00 0.00 57.07 58.11 2fsh s TYR 384 Cb 0.07 -3.48 0.05 0.00 -0.40 0.00 0.00 41.96 38.20 2fsh s TYR 384 CO 0.71 -1.55 1.79 1.49 -1.57 0.00 0.00 175.55 176.43 2fsh h GLU 385 N 2.68 0.70 -6.07 -0.62 4.81 -1.14 -3.43 114.58 111.51 2fsh h GLU 385 Ca -0.49 -0.07 -0.62 0.00 -0.13 0.00 0.00 59.36 58.05 2fsh h GLU 385 Cb 1.24 -0.14 -0.30 0.00 0.63 0.00 0.00 28.75 30.18 2fsh h GLU 385 CO 0.63 0.52 -0.86 0.15 -0.73 0.00 0.00 179.01 178.71 2fsh s LYS 386 N -5.95 1.79 -0.02 1.92 1.02 0.82 -5.02 119.74 114.31 2fsh s LYS 386 Ca -0.13 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.10 2fsh s LYS 386 Cb 0.12 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.73 2fsh s LYS 386 CO 0.75 0.45 -0.03 -1.17 -0.92 0.00 0.00 175.35 174.43 2fsh s LEU 387 N -0.46 1.67 0.24 3.17 2.96 -1.26 -2.10 118.68 122.90 2fsh s LEU 387 Ca 0.07 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2fsh s LEU 387 Cb -0.09 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 2fsh s LEU 387 CO -0.00 -0.00 0.40 0.00 -1.32 0.00 0.00 176.35 175.42 2fsh s ALA 388 N 0.36 0.14 0.17 5.97 0.00 -0.40 -3.88 121.76 124.13 2fsh s ALA 388 Ca -0.04 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 2fsh s ALA 388 Cb -0.07 1.15 0.07 0.00 0.00 0.00 0.00 23.12 24.27 2fsh s ALA 388 CO -0.01 -0.79 1.03 0.20 0.00 0.00 0.00 175.76 176.19 2fsh s GLY 389 N -3.06 0.01 0.14 0.00 0.00 -0.90 -0.61 107.32 102.90 2fsh s GLY 389 Ca 0.27 -0.19 0.09 0.00 0.00 0.00 0.00 44.72 44.88 2fsh s GLY 389 CO 0.10 1.73 -0.21 1.06 0.00 0.00 0.00 173.10 175.78 2fsh s MET 390 N -2.45 1.25 0.16 2.90 -1.94 -0.23 -0.57 119.30 118.43 2fsh s MET 390 Ca 0.19 -1.32 -0.22 0.00 -1.71 0.00 0.00 55.69 52.63 2fsh s MET 390 Cb -0.02 -1.46 0.06 0.00 2.01 0.00 0.00 34.83 35.42 2fsh s MET 390 CO 0.04 0.32 0.58 -0.08 -0.01 0.00 0.00 175.02 175.87 2fsh s THR 391 N -1.57 0.01 0.73 2.05 -1.32 -0.99 -1.56 115.64 112.99 2fsh s THR 391 Ca 0.13 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 2fsh s THR 391 Cb -0.08 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.89 2fsh s THR 391 CO 0.06 -0.04 1.09 -0.83 -2.21 0.00 0.00 174.62 172.69 2fsh s GLY 392 N -2.76 1.63 0.00 6.08 0.00 -1.23 -1.18 107.32 109.87 2fsh s GLY 392 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2fsh s GLY 392 CO -0.12 0.15 0.71 2.41 0.00 0.00 0.00 173.10 176.25 2fsh n THR 393 N -3.14 1.00 0.00 0.90 -1.04 -1.26 -4.11 114.28 106.63 2fsh n THR 393 Ca 0.07 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 2fsh n THR 393 Cb 0.56 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2fsh n THR 393 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fsh n ALA 394 N -1.21 0.00 0.00 2.41 0.00 -1.26 -4.77 120.51 115.68 2fsh n ALA 394 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2fsh n ALA 394 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2fsh n ALA 394 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2fsh n ASP 395 N -0.72 0.00 0.00 0.00 3.85 -1.26 -4.41 116.55 114.01 2fsh n ASP 395 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 2fsh n ASP 395 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2fsh n ASP 395 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2fsh n THR 396 N 0.00 0.00 -0.54 2.12 -2.24 -1.26 -4.67 114.28 107.69 2fsh n THR 396 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2fsh n THR 396 Cb 0.00 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.43 2fsh n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fsh n GLU 397 N -1.54 2.89 -0.26 -0.78 1.02 -1.26 -4.67 120.64 116.04 2fsh n GLU 397 Ca 0.00 -2.39 -0.04 0.00 -0.02 0.00 0.00 57.16 54.71 2fsh n GLU 397 Cb 0.00 -1.52 0.07 0.00 -0.02 0.00 0.00 31.44 29.97 2fsh n GLU 397 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsh h ALA 398 N 1.87 0.94 -0.15 0.62 0.00 -1.98 -0.97 119.26 119.59 2fsh h ALA 398 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2fsh h ALA 398 Cb 1.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2fsh h ALA 398 CO 0.10 0.28 0.10 0.27 0.00 0.00 0.00 179.25 180.00 2fsh h PHE 399 N 0.93 0.12 0.23 0.00 -0.00 -1.95 -1.89 116.94 114.39 2fsh h PHE 399 Ca 0.28 0.00 -0.33 0.00 -0.00 0.00 0.00 57.97 57.93 2fsh h PHE 399 Cb -0.04 -0.04 0.03 0.00 -0.00 0.00 0.00 35.95 35.90 2fsh h PHE 399 CO -0.03 0.08 -1.44 0.93 -0.00 0.00 0.00 178.31 177.84 2fsh h GLU 400 N 0.13 0.52 -0.78 6.09 5.08 -1.55 -2.05 114.58 122.02 2fsh h GLU 400 Ca 0.06 -0.87 0.01 0.00 -1.00 0.00 0.00 59.36 57.57 2fsh h GLU 400 Cb 0.08 0.32 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2fsh h GLU 400 CO -0.01 1.41 0.51 0.74 -1.00 0.00 0.00 179.01 180.67 2fsh h PHE 401 N 0.15 0.97 -0.28 4.33 0.04 -1.17 0.24 116.94 121.22 2fsh h PHE 401 Ca -0.24 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.47 2fsh h PHE 401 Cb 2.14 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 39.95 2fsh h PHE 401 CO 0.12 0.60 -0.16 1.03 -0.60 0.00 0.00 178.31 179.29 2fsh h SER 402 N 1.04 0.63 -0.41 2.17 0.87 -1.16 -1.09 113.55 115.59 2fsh h SER 402 Ca 0.29 -0.42 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2fsh h SER 402 Cb -0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2fsh h SER 402 CO -0.07 0.92 -0.19 -1.28 -0.53 0.00 0.00 176.83 175.67 2fsh h SER 403 N 0.34 0.87 0.35 6.23 0.87 -1.29 0.43 113.55 121.35 2fsh h SER 403 Ca 0.06 -0.40 -0.32 0.00 -1.23 0.00 0.00 61.79 59.89 2fsh h SER 403 Cb 0.69 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2fsh h SER 403 CO 0.05 1.08 -1.62 0.40 -0.53 0.00 0.00 176.83 176.20 2fsh h ILE 404 N 0.66 1.07 0.00 2.23 2.04 -0.54 -3.40 117.51 119.56 2fsh h ILE 404 Ca 0.09 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.27 2fsh h ILE 404 Cb 0.74 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2fsh h ILE 404 CO 0.06 0.83 0.00 -1.22 0.00 0.00 0.00 178.15 177.81 2fsh n TYR 405 N -3.50 0.00 -3.83 1.37 4.01 -0.45 -5.00 117.16 109.76 2fsh n TYR 405 Ca -0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.26 2fsh n TYR 405 Cb 1.06 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.13 2fsh n TYR 405 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2fsh n LYS 406 N -0.57 -6.04 -3.29 -0.72 4.76 0.14 -4.97 118.16 107.47 2fsh n LYS 406 Ca 0.00 0.65 -0.39 0.00 -2.87 0.00 0.00 58.31 55.70 2fsh n LYS 406 Cb 0.00 -5.56 -0.07 0.00 -1.84 0.00 0.00 35.03 27.56 2fsh n LYS 406 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fsh s LEU 407 N -7.24 4.14 0.57 -0.35 1.43 -1.02 -4.83 118.68 111.37 2fsh s LEU 407 Ca 0.60 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2fsh s LEU 407 Cb -0.29 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2fsh s LEU 407 CO 0.81 -0.16 1.03 -1.81 0.23 0.00 0.00 176.35 176.45 2fsh s ASP 408 N 1.17 6.06 -0.16 2.29 1.11 -0.91 -2.77 116.67 123.46 2fsh s ASP 408 Ca 0.22 1.74 0.01 0.00 0.18 0.00 0.00 52.55 54.70 2fsh s ASP 408 Cb -0.15 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.33 2fsh s ASP 408 CO 0.09 -0.98 -0.17 0.42 1.18 0.00 0.00 175.17 175.72 2fsh s THR 409 N -2.49 1.77 -0.15 -1.27 -4.23 -1.26 0.45 115.64 108.45 2fsh s THR 409 Ca 0.62 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2fsh s THR 409 Cb -0.14 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2fsh s THR 409 CO 0.35 0.49 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.14 2fsh s VAL 410 N 1.34 3.33 -0.39 2.29 1.01 -0.41 -4.93 120.40 122.65 2fsh s VAL 410 Ca 0.03 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2fsh s VAL 410 Cb -0.13 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2fsh s VAL 410 CO -0.10 0.50 0.85 -0.69 0.00 0.00 0.00 175.10 175.66 2fsh s VAL 411 N 0.57 4.63 -0.06 2.92 1.01 -1.26 -1.14 120.40 127.07 2fsh s VAL 411 Ca -0.06 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 2fsh s VAL 411 Cb -0.15 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2fsh s VAL 411 CO 0.03 -0.57 0.71 -0.69 0.00 0.00 0.00 175.10 174.58 2fsh s VAL 412 N 3.35 5.02 0.77 2.92 1.01 -0.41 -4.95 120.40 128.12 2fsh s VAL 412 Ca 0.34 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 2fsh s VAL 412 Cb -0.12 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.27 2fsh s VAL 412 CO 0.20 0.26 1.22 -2.84 0.00 0.00 0.00 175.10 173.94 2fsh s PRO 413 N 0.73 1.83 0.54 2.72 0.02 -1.26 -4.70 135.00 134.89 2fsh s PRO 413 Ca 0.38 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 63.05 2fsh s PRO 413 Cb -0.18 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2fsh s PRO 413 CO 0.19 -2.08 1.01 0.95 -0.33 0.00 0.00 177.00 176.74 2fsh s THR 414 N -2.00 4.26 0.13 0.99 -4.23 -1.26 -4.86 115.64 108.67 2fsh s THR 414 Ca 0.75 1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 62.19 2fsh s THR 414 Cb -0.30 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 2fsh s THR 414 CO 0.48 -0.61 1.69 -1.13 -0.54 0.00 0.00 174.62 174.51 2fsh h ASN 415 N 0.78 0.51 -2.98 3.99 -1.24 -1.94 -3.42 115.58 111.27 2fsh h ASN 415 Ca -0.47 -0.15 -0.61 0.00 0.71 0.00 0.00 56.30 55.78 2fsh h ASN 415 Cb 1.20 -0.13 -0.11 0.00 0.73 0.00 0.00 38.32 40.00 2fsh h ASN 415 CO 0.60 0.52 -0.65 -0.13 -1.29 0.00 0.00 177.43 176.48 2fsh s ARG 416 N -5.63 2.48 0.31 6.67 1.81 -1.26 -5.02 118.95 118.31 2fsh s ARG 416 Ca -0.13 -1.02 -0.29 0.00 -1.72 0.00 0.00 55.73 52.56 2fsh s ARG 416 Cb 0.10 -2.42 -0.12 0.00 -0.45 0.00 0.00 34.95 32.05 2fsh s ARG 416 CO 0.74 0.48 1.42 -2.30 -0.68 0.00 0.00 175.30 174.96 2fsh n PRO 417 N 0.03 2.31 -3.11 3.54 -0.02 -1.26 -4.47 135.00 132.02 2fsh n PRO 417 Ca -0.10 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2fsh n PRO 417 Cb 0.54 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 2fsh n PRO 417 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2fsh s MET 418 N -1.17 3.46 0.00 -0.52 1.75 -1.26 -4.13 119.30 117.43 2fsh s MET 418 Ca 0.61 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.89 2fsh s MET 418 Cb -0.56 -3.88 0.06 0.00 2.84 0.00 0.00 34.83 33.28 2fsh s MET 418 CO 0.56 -0.88 1.00 0.44 -0.65 0.00 0.00 175.02 175.49 2fsh n ILE 419 N 5.73 0.90 -1.66 10.11 -5.35 -1.26 -5.01 119.36 122.81 2fsh n ILE 419 Ca -0.02 -0.95 -0.46 0.00 -0.27 0.00 0.00 62.75 61.05 2fsh n ILE 419 Cb 0.48 0.56 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 2fsh n ILE 419 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2fsh n ARG 420 N -0.24 1.96 -3.34 6.28 0.63 -1.26 -4.52 116.66 116.16 2fsh n ARG 420 Ca 0.02 0.70 -0.44 0.00 -0.92 0.00 0.00 57.85 57.22 2fsh n ARG 420 Cb 0.26 -2.40 -0.08 0.00 0.45 0.00 0.00 32.46 30.69 2fsh n ARG 420 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2fsh s LYS 421 N 0.31 3.03 -0.54 -0.14 1.02 0.40 -4.93 119.74 118.89 2fsh s LYS 421 Ca 0.75 -1.07 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 2fsh s LYS 421 Cb -0.70 -4.06 0.12 0.00 -0.52 0.00 0.00 37.83 32.67 2fsh s LYS 421 CO 0.44 -0.97 0.51 -0.51 -0.92 0.00 0.00 175.35 173.90 2fsh s ASP 422 N 2.27 6.19 0.66 2.83 1.01 -1.26 -1.07 116.67 127.30 2fsh s ASP 422 Ca 0.08 -1.73 -0.11 0.00 0.71 0.00 0.00 52.55 51.50 2fsh s ASP 422 Cb -0.21 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2fsh s ASP 422 CO 0.10 -0.87 1.05 -0.76 0.21 0.00 0.00 175.17 174.89 2fsh s LEU 423 N 1.71 3.13 0.26 1.23 1.43 -0.12 -4.95 118.68 121.38 2fsh s LEU 423 Ca 0.04 1.44 -0.31 0.00 -1.03 0.00 0.00 54.13 54.27 2fsh s LEU 423 Cb -0.29 -4.39 -0.13 0.00 0.03 0.00 0.00 46.19 41.41 2fsh s LEU 423 CO 0.04 -1.14 1.44 -2.65 0.23 0.00 0.00 176.35 174.26 2fsh n PRO 424 N -2.92 2.19 -1.69 1.29 -0.02 -1.26 -4.65 135.00 127.94 2fsh n PRO 424 Ca 0.07 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2fsh n PRO 424 Cb 0.54 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2fsh n PRO 424 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fsh n ASP 425 N 2.00 2.50 -4.45 2.55 9.92 -1.26 -4.72 116.55 123.09 2fsh n ASP 425 Ca 0.10 1.17 -0.33 0.00 -0.53 0.00 0.00 54.79 55.20 2fsh n ASP 425 Cb 0.33 -1.47 -0.13 0.00 -0.64 0.00 0.00 41.12 39.21 2fsh n ASP 425 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2fsh s LEU 426 N -1.06 2.77 -0.04 0.64 1.43 -0.85 -4.77 118.68 116.81 2fsh s LEU 426 Ca 0.58 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2fsh s LEU 426 Cb -0.56 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2fsh s LEU 426 CO 0.61 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 176.56 2fsh s VAL 427 N -0.35 1.80 0.19 -1.59 1.01 -1.26 -0.36 120.40 119.84 2fsh s VAL 427 Ca 0.04 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2fsh s VAL 427 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2fsh s VAL 427 CO 0.02 0.51 -0.16 -0.31 0.00 0.00 0.00 175.10 175.16 2fsh s TYR 428 N -0.21 1.77 0.00 5.22 2.02 -0.47 -4.96 117.35 120.72 2fsh s TYR 428 Ca -0.00 -0.52 -0.24 0.00 -0.37 0.00 0.00 57.07 55.94 2fsh s TYR 428 Cb -0.12 -0.84 -0.16 0.00 -0.40 0.00 0.00 41.96 40.44 2fsh s TYR 428 CO 0.02 0.36 1.18 0.52 -1.57 0.00 0.00 175.55 176.05 2fsh h MET 429 N 2.87 -0.41 -6.24 -0.62 2.86 -1.90 -0.54 114.93 110.94 2fsh h MET 429 Ca -0.40 0.03 -0.62 0.00 -2.06 0.00 0.00 59.70 56.65 2fsh h MET 429 Cb 1.22 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.88 2fsh h MET 429 CO 0.57 -0.09 -0.61 0.95 1.06 0.00 0.00 176.91 178.79 2fsh s THR 430 N -4.50 4.31 0.22 2.22 -4.23 -1.26 -2.26 115.64 110.14 2fsh s THR 430 Ca -0.14 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.31 2fsh s THR 430 Cb 0.02 -3.11 0.20 0.00 1.34 0.00 0.00 72.50 70.94 2fsh s THR 430 CO 0.52 0.04 1.68 -0.33 -0.54 0.00 0.00 174.62 175.99 2fsh h GLU 431 N 3.05 0.17 -0.40 3.99 4.39 -1.93 -1.18 114.58 122.66 2fsh h GLU 431 Ca -0.47 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.31 2fsh h GLU 431 Cb 1.18 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2fsh h GLU 431 CO 0.63 0.11 0.28 0.00 -1.16 0.00 0.00 179.01 178.87 2fsh h ALA 432 N 1.55 2.20 0.02 3.43 0.00 -1.99 0.09 119.26 124.57 2fsh h ALA 432 Ca 0.34 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 2fsh h ALA 432 Cb 0.55 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2fsh h ALA 432 CO -0.50 -0.30 -0.72 0.93 0.00 0.00 0.00 179.25 178.66 2fsh h GLU 433 N 0.14 0.44 -0.12 0.00 5.08 -1.65 -2.32 114.58 116.16 2fsh h GLU 433 Ca 0.19 -0.51 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2fsh h GLU 433 Cb 0.57 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2fsh h GLU 433 CO -0.02 1.16 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.67 2fsh h LYS 434 N -0.06 -0.32 -0.16 2.33 3.64 -0.82 -2.53 116.57 118.65 2fsh h LYS 434 Ca -0.10 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2fsh h LYS 434 Cb 1.43 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 2fsh h LYS 434 CO 0.14 -0.21 -0.03 0.82 -2.27 0.00 0.00 179.45 177.90 2fsh h ILE 435 N -0.33 0.86 -0.29 2.00 1.08 -1.06 -0.10 117.51 119.67 2fsh h ILE 435 Ca 0.10 -0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 2fsh h ILE 435 Cb 0.48 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2fsh h ILE 435 CO -0.31 0.00 0.21 -0.61 -0.69 0.00 0.00 178.15 176.76 2fsh h GLN 436 N 0.01 0.00 0.09 2.37 5.75 -1.25 -1.78 115.11 120.31 2fsh h GLN 436 Ca 0.07 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.29 2fsh h GLN 436 Cb 0.11 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.68 2fsh h GLN 436 CO -0.15 0.00 -1.19 0.00 -2.65 0.00 0.00 178.83 174.84 2fsh h ALA 437 N 1.85 0.07 -0.77 3.38 0.00 -0.70 -2.26 119.26 120.83 2fsh h ALA 437 Ca 0.14 -0.77 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2fsh h ALA 437 Cb 0.55 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2fsh h ALA 437 CO -0.00 0.73 0.51 0.82 0.00 0.00 0.00 179.25 181.31 2fsh h ILE 438 N 0.27 1.12 -0.09 0.00 2.04 -0.48 -2.22 117.51 118.15 2fsh h ILE 438 Ca -0.16 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.24 2fsh h ILE 438 Cb 1.85 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2fsh h ILE 438 CO 0.22 0.17 -0.46 0.40 0.00 0.00 0.00 178.15 178.48 2fsh h ILE 439 N 0.94 1.38 -0.93 -0.67 1.08 -1.20 -2.07 117.51 116.04 2fsh h ILE 439 Ca 0.31 -1.81 0.03 0.00 -0.39 0.00 0.00 64.86 63.00 2fsh h ILE 439 Cb 0.05 2.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.99 2fsh h ILE 439 CO -0.09 0.54 0.61 -0.08 -0.69 0.00 0.00 178.15 178.44 2fsh h GLU 440 N 0.05 1.15 -0.08 2.37 4.57 -1.31 0.12 114.58 121.45 2fsh h GLU 440 Ca -0.03 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 2fsh h GLU 440 Cb 1.11 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2fsh h GLU 440 CO 0.10 0.76 -0.19 0.22 -1.18 0.00 0.00 179.01 178.72 2fsh h ASP 441 N 1.19 0.31 -0.78 1.04 3.58 -1.33 -0.68 116.42 119.75 2fsh h ASP 441 Ca 0.37 -0.58 0.15 0.00 0.42 0.00 0.00 57.03 57.39 2fsh h ASP 441 Cb -0.02 -0.09 -0.10 0.00 1.72 0.00 0.00 39.33 40.85 2fsh h ASP 441 CO -0.11 0.83 0.31 0.40 -2.88 0.00 0.00 179.24 177.79 2fsh h ILE 442 N -0.20 0.62 -0.63 2.25 2.04 -1.28 -0.16 117.51 120.15 2fsh h ILE 442 Ca -0.00 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2fsh h ILE 442 Cb 0.79 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2fsh h ILE 442 CO 0.04 0.08 0.39 0.50 0.00 0.00 0.00 178.15 179.17 2fsh h LYS 443 N 0.43 0.85 -0.15 2.37 3.64 -0.65 -1.80 116.57 121.27 2fsh h LYS 443 Ca 0.44 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2fsh h LYS 443 Cb 0.69 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2fsh h LYS 443 CO -0.43 0.59 -0.24 0.93 -2.27 0.00 0.00 179.45 178.03 2fsh h GLU 444 N 0.86 0.42 -0.45 1.90 5.08 -0.75 -2.83 114.58 118.82 2fsh h GLU 444 Ca 0.23 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2fsh h GLU 444 Cb -0.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2fsh h GLU 444 CO -0.05 0.85 0.07 0.00 -1.00 0.00 0.00 179.01 178.89 2fsh h ARG 445 N 0.04 0.75 -0.19 2.33 3.08 -1.00 -3.08 114.38 116.31 2fsh h ARG 445 Ca 0.01 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 2fsh h ARG 445 Cb 0.82 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2fsh h ARG 445 CO 0.06 0.77 -0.17 1.79 -1.07 0.00 0.00 179.97 181.35 2fsh h THR 446 N 0.61 1.21 0.00 2.04 1.35 -1.41 -1.14 112.91 115.57 2fsh h THR 446 Ca 0.14 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 65.03 2fsh h THR 446 Cb 0.39 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2fsh h THR 446 CO 0.01 0.30 -0.04 0.00 -0.25 0.00 0.00 175.52 175.54 2fsh h ALA 447 N 1.54 1.08 -0.27 6.62 0.00 -1.45 -2.05 119.26 124.73 2fsh h ALA 447 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fsh h ALA 447 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2fsh h ALA 447 CO 0.03 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.96 2fsh n LYS 448 N -3.26 2.18 -0.47 0.00 5.02 -0.58 -4.92 118.16 116.13 2fsh n LYS 448 Ca -0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 2fsh n LYS 448 Cb 0.22 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2fsh n LYS 448 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsh n GLY 449 N 1.34 0.77 3.78 0.72 0.00 -0.77 -4.74 105.19 106.30 2fsh n GLY 449 Ca 0.18 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2fsh n GLY 449 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fsh s GLN 450 N -0.54 4.09 0.46 1.61 0.74 -0.54 -2.18 119.66 123.30 2fsh s GLN 450 Ca 0.00 0.35 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 2fsh s GLN 450 Cb 0.00 -3.32 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 2fsh s GLN 450 CO 0.00 0.46 0.86 -1.25 -0.55 0.00 0.00 175.29 174.81 2fsh s PRO 451 N -0.30 3.84 -0.03 1.67 0.04 -1.26 -3.70 135.00 135.27 2fsh s PRO 451 Ca 0.23 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.97 2fsh s PRO 451 Cb -0.15 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2fsh s PRO 451 CO 0.10 -0.15 -0.09 0.08 0.04 0.00 0.00 177.00 176.99 2fsh s VAL 452 N -2.50 0.79 -0.21 -0.36 1.01 0.18 -1.69 120.40 117.62 2fsh s VAL 452 Ca 0.54 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 2fsh s VAL 452 Cb -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2fsh s VAL 452 CO 0.32 0.25 -0.05 -0.22 0.00 0.00 0.00 175.10 175.40 2fsh s LEU 453 N 0.20 2.90 -0.30 3.92 2.96 -0.50 -1.69 118.68 126.17 2fsh s LEU 453 Ca -0.03 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 2fsh s LEU 453 Cb -0.09 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2fsh s LEU 453 CO 0.00 -0.00 0.16 -0.69 -1.32 0.00 0.00 176.35 174.51 2fsh s VAL 454 N 1.37 4.79 -0.17 1.68 1.01 0.15 -0.57 120.40 128.65 2fsh s VAL 454 Ca 0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2fsh s VAL 454 Cb -0.14 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2fsh s VAL 454 CO -0.02 0.11 0.15 -0.83 0.00 0.00 0.00 175.10 174.50 2fsh s GLY 455 N 1.65 2.09 0.43 4.51 0.00 0.12 0.48 107.32 116.61 2fsh s GLY 455 Ca 0.05 -0.66 0.06 0.00 0.00 0.00 0.00 44.72 44.17 2fsh s GLY 455 CO 0.07 0.02 0.01 -0.51 0.00 0.00 0.00 173.10 172.69 2fsh s THR 456 N -0.02 1.79 -0.98 0.90 -4.23 0.31 -2.09 115.64 111.32 2fsh s THR 456 Ca 0.11 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.80 2fsh s THR 456 Cb -0.11 -2.81 -0.18 0.00 1.34 0.00 0.00 72.50 70.73 2fsh s THR 456 CO 0.00 0.00 0.81 2.30 -0.54 0.00 0.00 174.62 177.20 2fsh n ILE 457 N -1.03 0.00 -3.71 2.99 -6.64 -1.26 0.53 119.36 110.24 2fsh n ILE 457 Ca -0.08 -0.08 -0.13 0.00 -1.77 0.00 0.00 62.75 60.69 2fsh n ILE 457 Cb 0.67 1.02 -0.07 0.00 -1.44 0.00 0.00 39.64 39.82 2fsh n ILE 457 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 2fsh s SER 458 N -2.71 -0.22 0.24 7.28 1.04 -1.26 -4.60 113.70 113.46 2fsh s SER 458 Ca 0.08 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2fsh s SER 458 Cb 0.14 0.38 0.38 0.00 0.10 0.00 0.00 66.02 67.03 2fsh s SER 458 CO 0.74 -0.60 1.80 0.40 0.98 0.00 0.00 173.24 176.56 2fsh h ILE 459 N 3.24 0.89 -0.39 -1.02 2.04 -1.96 0.12 117.51 120.44 2fsh h ILE 459 Ca -0.31 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2fsh h ILE 459 Cb 1.20 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2fsh h ILE 459 CO 0.44 0.13 0.13 -0.33 0.00 0.00 0.00 178.15 178.52 2fsh h GLU 460 N 0.74 0.60 -0.76 2.37 3.07 -1.99 0.19 114.58 118.79 2fsh h GLU 460 Ca 0.38 -0.12 0.10 0.00 -0.50 0.00 0.00 59.36 59.22 2fsh h GLU 460 Cb 0.37 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 2fsh h GLU 460 CO -0.25 0.59 0.40 0.87 -1.40 0.00 0.00 179.01 179.22 2fsh h LYS 461 N 0.48 0.64 -0.08 2.33 6.56 -1.61 -1.75 116.57 123.14 2fsh h LYS 461 Ca 0.13 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2fsh h LYS 461 Cb 0.24 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 2fsh h LYS 461 CO -0.01 0.43 -0.01 0.77 -2.06 0.00 0.00 179.45 178.57 2fsh h SER 462 N 0.66 -0.04 -0.20 0.86 0.02 -0.43 -1.71 113.55 112.71 2fsh h SER 462 Ca 0.38 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 2fsh h SER 462 Cb 0.40 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2fsh h SER 462 CO -0.27 -0.01 0.10 -0.33 -1.14 0.00 0.00 176.83 175.17 2fsh h GLU 463 N 0.02 0.33 0.05 3.45 5.08 -0.85 0.11 114.58 122.78 2fsh h GLU 463 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fsh h GLU 463 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2fsh h GLU 463 CO -0.07 0.27 -0.02 1.25 -1.00 0.00 0.00 179.01 179.44 2fsh h LEU 464 N 0.33 -0.06 -0.58 1.33 5.85 -0.78 0.00 115.31 121.41 2fsh h LEU 464 Ca 0.08 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2fsh h LEU 464 Cb 0.07 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2fsh h LEU 464 CO -0.01 0.44 0.36 1.62 -0.34 0.00 0.00 178.44 180.51 2fsh h VAL 465 N -0.57 1.17 -0.04 1.05 3.04 -1.08 -0.83 116.25 118.98 2fsh h VAL 465 Ca -0.01 -0.36 0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2fsh h VAL 465 Cb 0.51 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2fsh h VAL 465 CO 0.01 0.17 -0.06 -1.28 -1.01 0.00 0.00 177.57 175.40 2fsh h SER 466 N 0.78 -0.19 -0.86 3.17 0.87 -0.83 -0.50 113.55 116.00 2fsh h SER 466 Ca 0.21 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2fsh h SER 466 Cb -0.03 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2fsh h SER 466 CO -0.04 -0.09 0.46 0.78 -0.53 0.00 0.00 176.83 177.41 2fsh h ASN 467 N -0.09 1.09 -0.61 6.23 4.21 -0.78 0.23 115.58 125.86 2fsh h ASN 467 Ca 0.04 -0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.45 2fsh h ASN 467 Cb 0.15 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 2fsh h ASN 467 CO -0.10 0.88 0.40 -0.33 -1.29 0.00 0.00 177.43 177.00 2fsh h GLU 468 N 1.21 0.79 -0.18 0.81 4.39 -0.73 0.25 114.58 121.13 2fsh h GLU 468 Ca 0.30 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.80 2fsh h GLU 468 Cb 0.05 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2fsh h GLU 468 CO -0.05 0.52 -0.54 -0.07 -1.16 0.00 0.00 179.01 177.71 2fsh h LEU 469 N 0.81 0.57 -0.50 1.33 3.38 -0.70 -0.27 115.31 119.93 2fsh h LEU 469 Ca 0.23 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2fsh h LEU 469 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2fsh h LEU 469 CO -0.05 1.00 -0.22 0.74 0.09 0.00 0.00 178.44 180.00 2fsh h THR 470 N 0.40 1.27 -0.26 0.22 2.02 -0.47 0.28 112.91 116.37 2fsh h THR 470 Ca 0.01 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 2fsh h THR 470 Cb 1.07 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2fsh h THR 470 CO 0.10 0.48 0.14 0.50 0.37 0.00 0.00 175.52 177.10 2fsh h LYS 471 N 0.85 0.35 -0.09 6.66 3.64 -0.12 -0.74 116.57 127.12 2fsh h LYS 471 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2fsh h LYS 471 Cb 0.80 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2fsh h LYS 471 CO 0.07 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 2fsh n ALA 472 N -2.50 2.55 -1.73 5.00 0.00 -0.15 -4.92 120.51 118.77 2fsh n ALA 472 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2fsh n ALA 472 Cb 0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 2fsh n ALA 472 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsh n GLY 473 N 0.92 0.56 3.48 0.00 0.00 -0.28 -4.99 105.19 104.87 2fsh n GLY 473 Ca 0.13 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2fsh n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fsh s ILE 474 N -2.42 4.89 0.28 -0.61 1.01 0.89 -5.00 121.20 120.24 2fsh s ILE 474 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2fsh s ILE 474 Cb 0.00 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 2fsh s ILE 474 CO 0.00 0.03 1.33 -0.54 0.00 0.00 0.00 174.94 175.76 2fsh s LYS 475 N 1.66 4.36 0.29 2.79 -0.14 -1.26 -4.15 119.74 123.28 2fsh s LYS 475 Ca 0.05 2.18 -0.19 0.00 -1.36 0.00 0.00 55.97 56.66 2fsh s LYS 475 Cb -0.17 -3.11 0.06 0.00 -1.68 0.00 0.00 37.83 32.93 2fsh s LYS 475 CO 0.08 -0.23 0.89 -3.38 -0.76 0.00 0.00 175.35 171.95 2fsh s HIS 476 N -0.64 0.08 0.00 3.18 -3.43 -1.26 -4.31 115.29 108.91 2fsh s HIS 476 Ca 0.53 -0.62 0.01 0.00 -0.80 0.00 0.00 55.06 54.17 2fsh s HIS 476 Cb -0.39 0.77 -0.00 0.00 -1.43 0.00 0.00 32.58 31.53 2fsh s HIS 476 CO 0.47 -1.27 -0.03 -0.80 -2.00 0.00 0.00 174.74 171.11 2fsh s ASN 477 N -3.19 0.38 0.03 7.38 -0.87 -0.47 -5.00 114.94 113.20 2fsh s ASN 477 Ca 0.18 -0.09 -0.16 0.00 -1.57 0.00 0.00 52.86 51.21 2fsh s ASN 477 Cb -0.04 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.25 41.10 2fsh s ASN 477 CO 0.08 0.02 0.47 -0.69 -2.57 0.00 0.00 177.10 174.41 2fsh s VAL 478 N -0.18 4.92 -0.57 1.60 1.01 -1.26 -1.54 120.40 124.39 2fsh s VAL 478 Ca 0.00 0.97 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 2fsh s VAL 478 Cb -0.02 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2fsh s VAL 478 CO -0.00 0.56 1.26 -0.76 0.00 0.00 0.00 175.10 176.15 2fsh s LEU 479 N -1.13 3.44 -0.44 3.92 1.43 0.17 -4.89 118.68 121.18 2fsh s LEU 479 Ca 0.26 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 2fsh s LEU 479 Cb -0.18 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 42.92 2fsh s LEU 479 CO 0.16 -1.54 0.48 0.21 0.23 0.00 0.00 176.35 175.90 2fsh s ASN 480 N 3.36 6.21 0.57 2.29 3.84 -1.26 -4.65 114.94 125.29 2fsh s ASN 480 Ca 0.46 -0.71 0.46 0.00 0.21 0.00 0.00 52.86 53.28 2fsh s ASN 480 Cb -0.08 -2.24 1.61 0.00 -0.55 0.00 0.00 41.25 39.99 2fsh s ASN 480 CO 0.26 -0.65 1.55 0.00 -2.79 0.00 0.00 177.10 175.46 2fsh h ALA 481 N 8.79 3.70 0.00 1.71 0.00 -1.99 0.39 119.26 131.85 2fsh h ALA 481 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2fsh h ALA 481 Cb 1.11 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2fsh h ALA 481 CO 0.84 -2.28 0.00 1.63 0.00 0.00 0.00 179.25 179.43 2fsh n LYS 482 N -3.85 0.19 -3.36 0.00 5.02 -1.26 -4.52 118.16 110.38 2fsh n LYS 482 Ca 0.40 0.34 -0.26 0.00 -2.02 0.00 0.00 58.31 56.77 2fsh n LYS 482 Cb 1.90 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 35.01 2fsh n LYS 482 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2fsh n PHE 483 N -2.15 -0.23 0.01 2.13 3.72 0.14 -4.96 117.46 116.12 2fsh n PHE 483 Ca 0.03 -3.50 -0.10 0.00 -0.05 0.00 0.00 57.45 53.83 2fsh n PHE 483 Cb 0.28 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.82 2fsh n PHE 483 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2fsh h HIS 484 N 5.01 0.69 -0.09 1.38 3.86 -1.79 -0.73 115.15 123.48 2fsh h HIS 484 Ca 0.19 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 2fsh h HIS 484 Cb 0.88 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2fsh h HIS 484 CO 0.35 1.00 -0.32 0.00 0.86 0.00 0.00 177.93 179.81 2fsh h ALA 485 N 0.94 1.30 -0.36 2.45 0.00 -1.94 -1.50 119.26 120.16 2fsh h ALA 485 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2fsh h ALA 485 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2fsh h ALA 485 CO 0.11 0.49 -0.09 -0.91 0.00 0.00 0.00 179.25 178.85 2fsh h ASN 486 N 0.14 0.70 -0.63 0.00 2.35 -1.82 -2.69 115.58 113.63 2fsh h ASN 486 Ca 0.02 -0.36 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2fsh h ASN 486 Cb 0.65 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 2fsh h ASN 486 CO 0.05 0.90 0.39 -0.33 -1.65 0.00 0.00 177.43 176.78 2fsh h GLU 487 N 0.49 0.73 -0.39 0.81 5.08 -0.19 -0.08 114.58 121.03 2fsh h GLU 487 Ca 0.09 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2fsh h GLU 487 Cb 0.59 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2fsh h GLU 487 CO 0.04 0.49 -0.21 0.00 -1.00 0.00 0.00 179.01 178.33 2fsh h ALA 488 N 1.27 0.90 -0.63 3.43 0.00 -1.35 -1.38 119.26 121.51 2fsh h ALA 488 Ca 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2fsh h ALA 488 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2fsh h ALA 488 CO -0.10 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.05 2fsh h ALA 489 N 1.10 1.32 -0.06 0.00 0.00 -1.24 -2.63 119.26 117.74 2fsh h ALA 489 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fsh h ALA 489 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2fsh h ALA 489 CO 0.05 0.52 0.02 0.82 0.00 0.00 0.00 179.25 180.67 2fsh h ILE 490 N 0.89 1.16 -0.67 0.00 2.04 -0.65 -3.13 117.51 117.15 2fsh h ILE 490 Ca 0.22 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2fsh h ILE 490 Cb 0.12 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2fsh h ILE 490 CO -0.03 0.13 0.32 0.58 0.00 0.00 0.00 178.15 179.16 2fsh h VAL 491 N -0.08 1.22 -0.38 1.67 2.07 -1.25 -2.07 116.25 117.44 2fsh h VAL 491 Ca 0.02 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.01 2fsh h VAL 491 Cb 0.19 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2fsh h VAL 491 CO -0.00 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 177.75 2fsh h ALA 492 N 1.41 0.25 -0.43 1.67 0.00 -1.43 -2.71 119.26 118.01 2fsh h ALA 492 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2fsh h ALA 492 Cb 0.10 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2fsh h ALA 492 CO -0.03 -0.45 0.00 1.04 0.00 0.00 0.00 179.25 179.81 2fsh n GLN 493 N -5.29 3.26 0.23 0.00 6.02 -0.81 -3.92 117.38 116.87 2fsh n GLN 493 Ca 0.02 -2.09 0.13 0.00 -0.01 0.00 0.00 57.00 55.05 2fsh n GLN 493 Cb 0.21 -1.85 0.27 0.00 1.02 0.00 0.00 30.24 29.90 2fsh n GLN 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fsh h ALA 494 N 3.56 1.00 -0.12 -1.58 0.00 -1.13 -2.38 119.26 118.60 2fsh h ALA 494 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fsh h ALA 494 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2fsh h ALA 494 CO 0.24 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2fsh n GLY 495 N 0.90 1.07 3.76 0.00 0.00 -1.26 -4.55 105.19 105.11 2fsh n GLY 495 Ca 0.03 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2fsh n GLY 495 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fsh s TYR 496 N -1.87 2.44 0.01 1.61 5.04 -0.90 -1.20 117.35 122.49 2fsh s TYR 496 Ca 0.32 1.39 -0.37 0.00 -2.44 0.00 0.00 57.07 55.97 2fsh s TYR 496 Cb 0.21 -3.73 -0.16 0.00 0.35 0.00 0.00 41.96 38.62 2fsh s TYR 496 CO 0.31 -2.62 1.46 -2.30 -1.34 0.00 0.00 175.55 171.06 2fsh n PRO 497 N -0.78 1.28 -1.08 4.97 -0.02 -1.26 -1.55 135.00 136.56 2fsh n PRO 497 Ca 0.09 0.46 -0.03 0.00 -2.02 0.00 0.00 63.50 62.00 2fsh n PRO 497 Cb 0.45 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2fsh n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsh n ALA 498 N 3.32 -0.04 -1.77 3.55 0.00 -0.92 -4.88 120.51 119.75 2fsh n ALA 498 Ca 0.20 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2fsh n ALA 498 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2fsh n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh s ALA 499 N -1.59 3.47 -0.07 0.00 0.00 -0.59 -4.84 121.76 118.14 2fsh s ALA 499 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2fsh s ALA 499 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2fsh s ALA 499 CO 0.00 -1.02 -0.05 0.08 0.00 0.00 0.00 175.76 174.77 2fsh s VAL 500 N -1.15 0.67 -0.04 0.00 1.01 -1.26 0.50 120.40 120.14 2fsh s VAL 500 Ca 0.54 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2fsh s VAL 500 Cb -0.45 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.22 2fsh s VAL 500 CO 0.60 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.99 2fsh s THR 501 N 1.39 0.91 -0.21 3.92 2.01 -0.68 -1.37 115.64 121.60 2fsh s THR 501 Ca -0.03 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2fsh s THR 501 Cb -0.13 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2fsh s THR 501 CO -0.03 0.29 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 2fsh s ILE 502 N 0.38 3.47 0.07 1.82 -1.09 -0.59 0.31 121.20 125.57 2fsh s ILE 502 Ca -0.07 -0.47 0.10 0.00 -2.23 0.00 0.00 60.65 57.98 2fsh s ILE 502 Cb -0.11 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2fsh s ILE 502 CO 0.01 0.43 -0.26 0.00 -1.23 0.00 0.00 174.94 173.89 2fsh s ALA 503 N 1.31 2.29 -0.18 9.38 0.00 0.18 -0.66 121.76 134.08 2fsh s ALA 503 Ca 0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2fsh s ALA 503 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2fsh s ALA 503 CO -0.02 0.54 -0.05 0.99 0.00 0.00 0.00 175.76 177.22 2fsh s THR 504 N -0.87 3.54 -0.80 0.00 2.01 -1.26 0.11 115.64 118.37 2fsh s THR 504 Ca 0.12 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 2fsh s THR 504 Cb -0.10 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.87 2fsh s THR 504 CO 0.03 0.46 0.36 0.59 -0.69 0.00 0.00 174.62 175.37 2fsh n ASN 505 N 4.13 -2.09 -4.56 3.53 3.02 0.19 -4.81 115.26 114.67 2fsh n ASN 505 Ca -0.18 -0.83 -0.45 0.00 -0.03 0.00 0.00 54.58 53.09 2fsh n ASN 505 Cb 0.52 -1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 2fsh n ASN 505 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsh n MET 506 N -3.52 1.16 0.00 3.52 2.81 -1.26 -5.02 117.12 114.80 2fsh n MET 506 Ca -0.09 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2fsh n MET 506 Cb 0.37 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2fsh n MET 506 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsh n ALA 507 N 0.31 0.00 -2.03 3.04 0.00 -1.26 -4.90 120.51 115.67 2fsh n ALA 507 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 2fsh n ALA 507 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.80 2fsh n ALA 507 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fsh s GLY 508 N -0.86 1.81 0.00 0.00 0.00 -1.26 -4.61 107.32 102.39 2fsh s GLY 508 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.75 2fsh s GLY 508 CO 0.00 -1.61 0.00 -2.13 0.00 0.00 0.00 173.10 169.36 2fsh n ARG 509 N -2.10 0.00 -1.32 2.90 0.63 -1.26 -4.92 116.66 110.59 2fsh n ARG 509 Ca 0.13 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.23 2fsh n ARG 509 Cb 0.61 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.46 2fsh n ARG 509 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fsh n GLY 510 N 0.00 -1.98 3.69 5.14 0.00 -1.26 -4.85 105.19 105.92 2fsh n GLY 510 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2fsh n GLY 510 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fsh s THR 511 N -2.65 3.97 0.15 2.61 2.01 -1.26 -4.95 115.64 115.52 2fsh s THR 511 Ca 0.00 1.31 -0.33 0.00 0.31 0.00 0.00 61.69 62.99 2fsh s THR 511 Cb 0.00 -3.84 -0.17 0.00 0.01 0.00 0.00 72.50 68.49 2fsh s THR 511 CO 0.00 -0.01 0.91 -0.67 -0.69 0.00 0.00 174.62 174.16 2fsh n ASP 512 N 5.42 0.13 -4.53 3.53 2.03 -1.26 -4.93 116.55 116.94 2fsh n ASP 512 Ca 0.12 1.15 -0.42 0.00 0.52 0.00 0.00 54.79 56.16 2fsh n ASP 512 Cb 0.45 -1.06 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 2fsh n ASP 512 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2fsh s ILE 513 N -0.48 5.04 -0.12 5.18 1.01 -1.26 -4.93 121.20 125.64 2fsh s ILE 513 Ca 0.74 0.05 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 2fsh s ILE 513 Cb -0.97 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 37.49 2fsh s ILE 513 CO 0.55 -0.31 0.90 -0.69 0.00 0.00 0.00 174.94 175.39 2fsh s VAL 514 N 2.30 4.86 0.28 2.92 1.01 -1.26 -4.86 120.40 125.65 2fsh s VAL 514 Ca 0.16 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 2fsh s VAL 514 Cb -0.16 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2fsh s VAL 514 CO 0.14 0.05 1.42 -0.76 0.00 0.00 0.00 175.10 175.95 2fsh s LEU 515 N 1.87 4.39 0.00 3.92 1.43 -1.26 -1.07 118.68 127.95 2fsh s LEU 515 Ca 0.43 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 56.25 2fsh s LEU 515 Cb -0.18 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2fsh s LEU 515 CO 0.16 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2fsh n GLY 516 N 1.72 3.01 0.00 -3.19 0.00 -0.34 -4.44 105.19 101.94 2fsh n GLY 516 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2fsh n GLY 516 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsh n GLY 517 N -2.00 2.24 3.65 -0.02 0.00 -0.23 -4.49 105.19 104.33 2fsh n GLY 517 Ca 0.00 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2fsh n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fsh s SER 518 N 0.00 6.64 -0.19 1.61 1.04 -1.25 -4.76 113.70 116.78 2fsh s SER 518 Ca 0.00 0.78 -0.00 0.00 0.48 0.00 0.00 55.95 57.20 2fsh s SER 518 Cb 0.00 -2.34 0.14 0.00 0.10 0.00 0.00 66.02 63.92 2fsh s SER 518 CO 0.00 -0.31 1.92 -2.67 0.98 0.00 0.00 173.24 173.16 2fsh n TRP 519 N 5.32 0.97 0.00 5.02 4.27 -1.26 -3.57 117.44 128.19 2fsh n TRP 519 Ca -0.01 -1.53 0.00 0.00 -3.89 0.00 0.00 57.50 52.07 2fsh n TRP 519 Cb 0.49 -0.75 0.00 0.00 -1.36 0.00 0.00 31.31 29.69 2fsh n TRP 519 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2fsh n GLN 520 N 0.68 0.00 -0.68 -2.67 3.00 -1.26 -4.58 117.38 111.87 2fsh n GLN 520 Ca 0.19 0.00 0.52 0.00 -0.01 0.00 0.00 57.00 57.70 2fsh n GLN 520 Cb 0.58 0.00 0.81 0.00 0.00 0.00 0.00 30.24 31.63 2fsh n GLN 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2fsh h ALA 521 N 0.00 3.83 0.03 -1.58 0.00 -1.94 1.01 119.26 120.61 2fsh h ALA 521 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fsh h ALA 521 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2fsh h ALA 521 CO 0.00 -2.40 -0.01 0.93 0.00 0.00 0.00 179.25 177.77 2fsh h GLU 522 N 0.00 -0.04 -0.02 0.00 5.08 -1.85 -3.15 114.58 114.60 2fsh h GLU 522 Ca 0.91 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 59.13 2fsh h GLU 522 Cb 3.72 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 32.96 2fsh h GLU 522 CO -0.01 0.59 -0.65 -0.39 -1.00 0.00 0.00 179.01 177.55 2fsh h VAL 523 N -0.72 1.44 0.00 3.13 -1.51 -1.34 -3.07 116.25 114.18 2fsh h VAL 523 Ca -0.00 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2fsh h VAL 523 Cb 0.65 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2fsh h VAL 523 CO 0.01 0.63 0.00 0.00 -1.23 0.00 0.00 177.57 176.98 2fsh n ALA 524 N -2.44 1.36 -0.01 5.19 0.00 0.33 0.02 120.51 124.97 2fsh n ALA 524 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2fsh n ALA 524 Cb 0.65 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.11 2fsh n ALA 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh n ALA 525 N -1.12 2.03 -3.47 0.00 0.00 -1.16 -4.99 120.51 111.80 2fsh n ALA 525 Ca 0.00 -0.99 -0.36 0.00 0.00 0.00 0.00 53.44 52.09 2fsh n ALA 525 Cb 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 2fsh n ALA 525 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fsh s LEU 526 N -0.96 4.16 0.00 0.00 1.43 0.10 -5.00 118.68 118.41 2fsh s LEU 526 Ca 0.01 -1.26 0.27 0.00 -1.03 0.00 0.00 54.13 52.13 2fsh s LEU 526 Cb 0.01 -1.79 1.25 0.00 0.03 0.00 0.00 46.19 45.69 2fsh s LEU 526 CO 0.01 -0.31 1.85 -1.84 0.23 0.00 0.00 176.35 176.29 2fsh n GLU 527 N 4.70 1.44 -2.76 1.70 0.00 -1.26 -4.21 120.64 120.25 2fsh n GLU 527 Ca -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 57.16 56.36 2fsh n GLU 527 Cb 0.44 -1.46 0.01 0.00 0.00 0.00 0.00 31.44 30.43 2fsh n GLU 527 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2fsh n ASN 528 N -0.21 -3.41 -4.82 -1.84 4.05 -1.26 -5.17 115.26 102.60 2fsh n ASN 528 Ca 0.20 -2.88 -0.29 0.00 0.45 0.00 0.00 54.58 52.05 2fsh n ASN 528 Cb 0.26 1.74 0.12 0.00 1.23 0.00 0.00 39.78 43.12 2fsh n ASN 528 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2fsh s PRO 529 N 0.87 1.51 0.09 1.20 0.04 -1.26 -5.11 135.00 132.34 2fsh s PRO 529 Ca 0.30 0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2fsh s PRO 529 Cb 0.01 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2fsh s PRO 529 CO -0.05 -1.94 0.07 -2.37 0.04 0.00 0.00 177.00 172.74 2fsh n THR 530 N -3.58 0.00 0.18 1.26 5.66 -1.26 -5.01 114.28 111.53 2fsh n THR 530 Ca 0.07 -0.61 -0.14 0.00 -3.05 0.00 0.00 64.05 60.32 2fsh n THR 530 Cb 0.59 0.29 -0.08 0.00 -1.55 0.00 0.00 70.33 69.59 2fsh n THR 530 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fsh h ALA 531 N 1.25 -0.43 -0.67 1.79 0.00 -1.99 -2.49 119.26 116.72 2fsh h ALA 531 Ca -0.06 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.84 2fsh h ALA 531 Cb 0.30 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 2fsh h ALA 531 CO 0.09 -0.66 -0.10 0.93 0.00 0.00 0.00 179.25 179.51 2fsh h GLU 532 N -0.60 0.04 0.41 0.00 3.07 -1.98 -1.53 114.58 113.99 2fsh h GLU 532 Ca -0.04 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2fsh h GLU 532 Cb 0.43 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2fsh h GLU 532 CO 0.07 0.03 -0.20 1.96 -1.40 0.00 0.00 179.01 179.47 2fsh h GLN 533 N 0.04 -0.53 0.06 2.33 4.20 -1.90 0.39 115.11 119.70 2fsh h GLN 533 Ca 0.34 0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.11 2fsh h GLN 533 Cb 0.54 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 2fsh h GLN 533 CO -0.65 -0.36 -0.25 0.82 -0.67 0.00 0.00 178.83 177.73 2fsh h ILE 534 N -0.82 0.45 -0.82 2.54 1.08 -1.49 0.21 117.51 118.66 2fsh h ILE 534 Ca -0.06 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.57 2fsh h ILE 534 Cb 0.42 0.45 -0.15 0.00 -3.07 0.00 0.00 36.82 34.47 2fsh h ILE 534 CO 0.09 0.00 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.20 2fsh h GLU 535 N -0.42 -0.03 -0.15 2.37 4.81 -1.31 0.50 114.58 120.35 2fsh h GLU 535 Ca 0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2fsh h GLU 535 Cb 0.47 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2fsh h GLU 535 CO -0.18 -0.02 -0.16 -0.22 -0.73 0.00 0.00 179.01 177.70 2fsh h LYS 536 N -0.03 -0.18 -0.52 1.92 1.63 0.09 0.16 116.57 119.64 2fsh h LYS 536 Ca 0.36 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.23 2fsh h LYS 536 Cb 0.60 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.22 2fsh h LYS 536 CO -0.86 -0.12 0.23 0.82 -3.45 0.00 0.00 179.45 176.08 2fsh h ILE 537 N -0.19 0.90 -0.41 2.00 2.04 0.28 -0.36 117.51 121.78 2fsh h ILE 537 Ca 0.10 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 2fsh h ILE 537 Cb 0.34 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2fsh h ILE 537 CO -0.27 0.08 -0.30 0.50 0.00 0.00 0.00 178.15 178.17 2fsh h LYS 538 N 0.45 0.89 -0.28 2.37 3.64 -0.11 -0.77 116.57 122.76 2fsh h LYS 538 Ca 0.24 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 2fsh h LYS 538 Cb 0.20 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2fsh h LYS 538 CO -0.20 1.07 -0.23 0.00 -2.27 0.00 0.00 179.45 177.82 2fsh h ALA 539 N 0.90 0.40 -0.16 5.00 0.00 -0.46 0.08 119.26 125.03 2fsh h ALA 539 Ca 0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2fsh h ALA 539 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2fsh h ALA 539 CO 0.08 0.37 -0.34 -0.44 0.00 0.00 0.00 179.25 178.92 2fsh h ASP 540 N 0.38 0.32 -0.33 0.00 3.32 -1.01 -2.65 116.42 116.45 2fsh h ASP 540 Ca 0.05 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 2fsh h ASP 540 Cb 0.79 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2fsh h ASP 540 CO 0.06 0.64 -0.34 -0.25 -1.72 0.00 0.00 179.24 177.63 2fsh h TRP 541 N 0.27 1.03 -0.69 4.55 7.01 -0.97 -2.77 115.95 124.38 2fsh h TRP 541 Ca 0.03 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 60.73 2fsh h TRP 541 Cb 0.73 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 2fsh h TRP 541 CO 0.02 1.09 0.37 0.37 -2.79 0.00 0.00 178.44 177.49 2fsh h GLN 542 N 0.72 0.95 -0.39 2.65 5.75 -0.62 0.15 115.11 124.32 2fsh h GLN 542 Ca 0.07 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 2fsh h GLN 542 Cb 0.91 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 2fsh h GLN 542 CO 0.08 0.70 -0.18 0.28 -2.65 0.00 0.00 178.83 177.07 2fsh h VAL 543 N 0.96 1.28 -0.12 2.39 2.07 -1.47 0.28 116.25 121.64 2fsh h VAL 543 Ca 0.24 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 2fsh h VAL 543 Cb 0.03 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2fsh h VAL 543 CO -0.04 0.44 0.03 0.03 0.02 0.00 0.00 177.57 178.04 2fsh h ARG 544 N 0.62 0.19 -0.42 1.57 3.08 -1.15 -0.40 114.38 117.88 2fsh h ARG 544 Ca 0.09 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2fsh h ARG 544 Cb 0.73 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 2fsh h ARG 544 CO 0.05 0.36 0.05 1.25 -1.07 0.00 0.00 179.97 180.62 2fsh h HIS 545 N -0.02 0.08 -0.44 3.04 2.76 -0.67 0.10 115.15 120.00 2fsh h HIS 545 Ca 0.04 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.13 2fsh h HIS 545 Cb 0.26 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2fsh h HIS 545 CO 0.01 -0.02 -0.13 -0.44 -1.30 0.00 0.00 177.93 176.04 2fsh h ASP 546 N 0.17 0.88 -0.57 3.26 3.32 -0.88 -1.00 116.42 121.61 2fsh h ASP 546 Ca 0.20 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 2fsh h ASP 546 Cb 0.27 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2fsh h ASP 546 CO -0.29 1.05 0.28 0.00 -1.72 0.00 0.00 179.24 178.57 2fsh h ALA 547 N 0.86 1.37 -0.36 3.45 0.00 -0.73 -1.26 119.26 122.59 2fsh h ALA 547 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2fsh h ALA 547 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2fsh h ALA 547 CO 0.05 0.49 0.08 0.28 0.00 0.00 0.00 179.25 180.15 2fsh h VAL 548 N 0.84 1.23 -0.19 0.00 2.07 -0.56 -0.19 116.25 119.45 2fsh h VAL 548 Ca 0.21 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2fsh h VAL 548 Cb 0.10 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2fsh h VAL 548 CO -0.03 0.27 0.08 -0.07 0.02 0.00 0.00 177.57 177.84 2fsh h LEU 549 N 0.44 0.11 -1.35 2.57 3.38 -1.05 -0.97 115.31 118.43 2fsh h LEU 549 Ca 0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2fsh h LEU 549 Cb 0.32 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2fsh h LEU 549 CO 0.00 0.09 0.08 -0.08 0.09 0.00 0.00 178.44 178.62 2fsh h GLU 550 N 0.18 0.52 0.00 1.13 4.57 -1.22 -2.09 114.58 117.67 2fsh h GLU 550 Ca 0.08 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2fsh h GLU 550 Cb 0.03 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2fsh h GLU 550 CO -0.07 0.48 0.00 0.00 -1.18 0.00 0.00 179.01 178.24 2fsh n ALA 551 N -2.48 2.26 0.00 2.92 0.00 -0.09 -4.88 120.51 118.25 2fsh n ALA 551 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2fsh n ALA 551 Cb 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2fsh n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsh n GLY 552 N 0.40 1.21 7.00 0.00 0.00 -0.75 -4.66 105.19 108.39 2fsh n GLY 552 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2fsh n GLY 552 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsh n GLY 553 N -0.62 0.33 3.70 -0.02 0.00 -0.46 -2.13 105.19 105.99 2fsh n GLY 553 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2fsh n GLY 553 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fsh s LEU 554 N 0.00 4.31 -0.25 0.99 2.96 -1.25 -4.28 118.68 121.17 2fsh s LEU 554 Ca 0.00 1.94 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 2fsh s LEU 554 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2fsh s LEU 554 CO 0.00 -0.58 0.40 -2.28 -1.32 0.00 0.00 176.35 172.57 2fsh s HIS 555 N 1.89 3.28 -0.11 5.38 5.65 -0.68 -1.93 115.29 128.77 2fsh s HIS 555 Ca 0.58 0.50 -0.17 0.00 0.25 0.00 0.00 55.06 56.22 2fsh s HIS 555 Cb -0.28 -2.58 -0.04 0.00 -1.18 0.00 0.00 32.58 28.50 2fsh s HIS 555 CO 0.25 -0.17 0.44 0.42 -0.65 0.00 0.00 174.74 175.02 2fsh s ILE 556 N 1.89 5.19 -0.27 0.89 -1.09 0.39 -1.41 121.20 126.79 2fsh s ILE 556 Ca 0.17 0.87 -0.02 0.00 -2.23 0.00 0.00 60.65 59.43 2fsh s ILE 556 Cb -0.15 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2fsh s ILE 556 CO 0.09 0.36 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.51 2fsh s ILE 557 N 0.44 3.08 -0.44 2.92 1.01 0.26 -0.27 121.20 128.21 2fsh s ILE 557 Ca 0.24 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 2fsh s ILE 557 Cb -0.15 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2fsh s ILE 557 CO 0.09 0.07 0.87 -0.83 0.00 0.00 0.00 174.94 175.14 2fsh s GLY 558 N 1.33 1.54 0.49 6.18 0.00 -0.53 0.16 107.32 116.47 2fsh s GLY 558 Ca -0.01 -0.81 0.28 0.00 0.00 0.00 0.00 44.72 44.18 2fsh s GLY 558 CO -0.02 1.93 1.88 -0.91 0.00 0.00 0.00 173.10 175.98 2fsh h THR 559 N 5.99 0.32 -3.58 0.90 1.35 -1.70 0.29 112.91 116.48 2fsh h THR 559 Ca -0.24 -0.87 -0.10 0.00 -0.55 0.00 0.00 66.41 64.64 2fsh h THR 559 Cb 1.08 1.67 -0.17 0.00 -1.73 0.00 0.00 68.15 69.00 2fsh h THR 559 CO 0.99 0.13 -0.37 -1.61 -0.25 0.00 0.00 175.52 174.40 2fsh s GLU 560 N -3.65 0.73 0.16 4.72 8.01 -1.25 -4.55 118.70 122.87 2fsh s GLU 560 Ca 0.01 -0.67 -0.09 0.00 0.01 0.00 0.00 54.97 54.22 2fsh s GLU 560 Cb 0.10 0.30 -0.06 0.00 -4.31 0.00 0.00 34.13 30.15 2fsh s GLU 560 CO 0.60 -0.22 0.47 1.03 0.01 0.00 0.00 175.26 177.15 2fsh s ARG 561 N -2.79 3.77 0.62 1.61 0.52 -1.26 -4.84 118.95 116.59 2fsh s ARG 561 Ca -0.03 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.26 2fsh s ARG 561 Cb -0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 2fsh s ARG 561 CO -0.05 0.44 1.03 -1.01 0.02 0.00 0.00 175.30 175.73 2fsh s HIS 562 N -1.62 3.55 0.23 -0.53 3.76 -1.26 -4.80 115.29 114.61 2fsh s HIS 562 Ca 0.41 1.32 -0.08 0.00 -0.15 0.00 0.00 55.06 56.55 2fsh s HIS 562 Cb -0.13 -2.75 0.20 0.00 1.11 0.00 0.00 32.58 31.01 2fsh s HIS 562 CO 0.21 -0.75 1.89 1.49 -0.85 0.00 0.00 174.74 176.74 2fsh h GLU 563 N -0.31 1.14 -6.32 1.40 4.81 -1.99 -3.38 114.58 109.92 2fsh h GLU 563 Ca -0.44 -0.08 -0.58 0.00 -0.13 0.00 0.00 59.36 58.13 2fsh h GLU 563 Cb 1.19 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.24 2fsh h GLU 563 CO 0.61 0.76 0.77 0.45 -0.73 0.00 0.00 179.01 180.88 2fsh s SER 564 N -6.00 6.76 0.55 1.04 0.15 -1.26 -4.83 113.70 110.10 2fsh s SER 564 Ca -0.13 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.48 2fsh s SER 564 Cb 0.16 -2.51 1.52 0.00 -1.71 0.00 0.00 66.02 63.48 2fsh s SER 564 CO 0.80 -0.96 2.18 -0.09 1.20 0.00 0.00 173.24 176.36 2fsh h ARG 565 N 8.52 0.00 -0.76 5.44 2.43 -1.89 -2.20 114.38 125.91 2fsh h ARG 565 Ca -0.22 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2fsh h ARG 565 Cb 1.07 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2fsh h ARG 565 CO 1.04 0.03 0.50 -0.09 -1.51 0.00 0.00 179.97 179.94 2fsh h ARG 566 N 0.00 0.61 -0.11 0.20 2.43 -1.87 -0.64 114.38 114.99 2fsh h ARG 566 Ca -0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2fsh h ARG 566 Cb 0.07 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2fsh h ARG 566 CO 0.00 0.40 -0.67 0.82 -1.51 0.00 0.00 179.97 179.02 2fsh h ILE 567 N 0.63 1.35 -0.35 1.20 2.04 -1.74 -1.52 117.51 119.11 2fsh h ILE 567 Ca 0.36 -2.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.07 2fsh h ILE 567 Cb 0.55 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2fsh h ILE 567 CO -0.13 0.61 -0.34 0.44 0.00 0.00 0.00 178.15 178.73 2fsh h ASP 568 N 0.33 0.84 0.14 1.72 3.32 -1.38 -2.32 116.42 119.06 2fsh h ASP 568 Ca -0.02 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 2fsh h ASP 568 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2fsh h ASP 568 CO 0.12 1.10 -0.52 0.78 -1.72 0.00 0.00 179.24 179.00 2fsh h ASN 569 N 0.66 0.46 0.22 6.45 2.35 -0.89 -1.69 115.58 123.14 2fsh h ASN 569 Ca 0.07 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2fsh h ASN 569 Cb 0.89 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2fsh h ASN 569 CO 0.08 0.89 -0.14 1.56 -1.65 0.00 0.00 177.43 178.17 2fsh h GLN 570 N 0.33 -0.34 -0.28 0.81 4.20 -1.22 -2.00 115.11 116.61 2fsh h GLN 570 Ca 0.01 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2fsh h GLN 570 Cb 1.02 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 2fsh h GLN 570 CO 0.09 -0.23 -0.11 1.25 -0.67 0.00 0.00 178.83 179.16 2fsh h LEU 571 N -0.36 -0.37 -1.49 1.46 5.85 -1.26 -3.05 115.31 116.09 2fsh h LEU 571 Ca -0.02 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2fsh h LEU 571 Cb 0.31 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2fsh h LEU 571 CO 0.01 -0.14 -0.03 0.08 -0.34 0.00 0.00 178.44 178.02 2fsh h ARG 572 N -0.06 0.29 0.00 1.25 0.11 -1.30 -2.55 114.38 112.12 2fsh h ARG 572 Ca 0.14 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2fsh h ARG 572 Cb 0.27 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2fsh h ARG 572 CO -0.32 0.34 0.00 0.41 0.10 0.00 0.00 179.97 180.50 2fsh n GLY 573 N -1.06 -0.83 0.09 0.08 0.00 -0.76 -2.37 105.19 100.34 2fsh n GLY 573 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2fsh n GLY 573 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fsh n ARG 574 N -1.47 0.16 -4.10 1.61 1.74 -0.96 -4.68 116.66 108.97 2fsh n ARG 574 Ca 0.03 0.29 -0.26 0.00 -0.77 0.00 0.00 57.85 57.14 2fsh n ARG 574 Cb 0.12 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 2fsh n ARG 574 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2fsh s SER 575 N -3.98 5.43 -0.09 0.55 0.15 -1.00 -4.69 113.70 110.06 2fsh s SER 575 Ca 0.08 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2fsh s SER 575 Cb 0.11 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2fsh s SER 575 CO 0.44 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2fsh n GLY 576 N -0.37 0.47 3.77 9.45 0.00 -1.26 -4.90 105.19 112.34 2fsh n GLY 576 Ca -0.08 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2fsh n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsh s ARG 577 N -1.55 4.39 -1.57 1.61 0.52 -1.26 -3.87 118.95 117.22 2fsh s ARG 577 Ca 0.00 1.95 -0.06 0.00 -0.52 0.00 0.00 55.73 57.10 2fsh s ARG 577 Cb 0.00 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.52 2fsh s ARG 577 CO 0.00 -0.06 0.36 1.04 0.02 0.00 0.00 175.30 176.65 2fsh n GLN 578 N 0.75 -2.15 -0.75 3.54 6.02 -1.26 -1.02 117.38 122.51 2fsh n GLN 578 Ca 0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2fsh n GLN 578 Cb 0.44 -4.32 0.00 0.00 1.02 0.00 0.00 30.24 27.38 2fsh n GLN 578 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fsh n GLY 579 N -1.99 0.95 3.74 1.08 0.00 -1.25 -4.88 105.19 102.85 2fsh n GLY 579 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2fsh n GLY 579 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fsh n ASP 580 N 0.00 2.69 -4.74 1.61 8.00 -0.19 -4.73 116.55 119.19 2fsh n ASP 580 Ca 0.00 0.99 -0.37 0.00 0.71 0.00 0.00 54.79 56.12 2fsh n ASP 580 Cb 0.00 -1.57 0.06 0.00 -0.02 0.00 0.00 41.12 39.59 2fsh n ASP 580 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fsh s ALA 581 N -1.28 2.47 -0.02 2.24 0.00 -1.26 -4.15 121.76 119.75 2fsh s ALA 581 Ca 0.70 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 2fsh s ALA 581 Cb -0.42 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.27 2fsh s ALA 581 CO 0.50 -1.52 1.30 0.20 0.00 0.00 0.00 175.76 176.24 2fsh s GLY 582 N -1.33 -0.36 0.24 0.00 0.00 -0.90 -3.80 107.32 101.17 2fsh s GLY 582 Ca 0.80 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 2fsh s GLY 582 CO 0.41 1.32 0.53 -1.35 0.00 0.00 0.00 173.10 174.01 2fsh s SER 583 N -3.16 -0.15 -0.02 1.64 1.04 -0.81 -0.46 113.70 111.77 2fsh s SER 583 Ca 0.18 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 2fsh s SER 583 Cb 0.04 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2fsh s SER 583 CO -0.03 -1.17 0.24 -0.94 0.98 0.00 0.00 173.24 172.32 2fsh s SER 584 N -2.97 -0.13 -0.10 7.02 1.04 -0.23 -0.46 113.70 117.87 2fsh s SER 584 Ca 0.18 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.61 2fsh s SER 584 Cb -0.02 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.46 2fsh s SER 584 CO 0.07 -0.36 0.24 -0.60 0.98 0.00 0.00 173.24 173.57 2fsh s ARG 585 N -1.08 0.21 -0.10 4.02 6.06 0.63 -0.94 118.95 127.75 2fsh s ARG 585 Ca -0.12 0.50 -0.04 0.00 -2.50 0.00 0.00 55.73 53.58 2fsh s ARG 585 Cb -0.05 -0.09 -0.04 0.00 0.06 0.00 0.00 34.95 34.83 2fsh s ARG 585 CO 0.03 -0.15 0.07 -0.06 -2.50 0.00 0.00 175.30 172.69 2fsh s PHE 586 N 1.11 3.36 0.02 5.12 0.08 -1.26 -1.45 117.98 124.96 2fsh s PHE 586 Ca -0.08 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.35 2fsh s PHE 586 Cb -0.09 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 2fsh s PHE 586 CO -0.07 0.60 -0.04 0.71 -0.10 0.00 0.00 175.22 176.32 2fsh s TYR 587 N -0.97 2.96 0.06 0.36 2.02 0.09 -2.00 117.35 119.87 2fsh s TYR 587 Ca 0.15 -0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.81 2fsh s TYR 587 Cb -0.12 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2fsh s TYR 587 CO 0.04 0.42 0.04 -0.51 -1.57 0.00 0.00 175.55 173.97 2fsh s LEU 588 N -1.66 2.14 0.17 -1.29 1.02 0.51 -3.81 118.68 115.75 2fsh s LEU 588 Ca 0.20 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.52 2fsh s LEU 588 Cb -0.11 0.45 -0.05 0.00 0.02 0.00 0.00 46.19 46.50 2fsh s LEU 588 CO 0.11 -0.62 -0.02 -0.94 0.02 0.00 0.00 176.35 174.90 2fsh s SER 589 N -2.79 1.34 0.64 2.29 1.04 -1.26 -1.36 113.70 113.60 2fsh s SER 589 Ca 0.05 -1.13 0.39 0.00 0.48 0.00 0.00 55.95 55.74 2fsh s SER 589 Cb 0.06 0.09 2.20 0.00 0.10 0.00 0.00 66.02 68.46 2fsh s SER 589 CO -0.10 -0.52 2.32 0.24 0.98 0.00 0.00 173.24 176.17 2fsh h MET 590 N 2.72 0.00 -0.29 4.02 2.86 -0.64 -2.39 114.93 121.21 2fsh h MET 590 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2fsh h MET 590 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2fsh h MET 590 CO 0.63 0.00 0.00 0.39 1.06 0.00 0.00 176.91 179.00 2fsh n GLU 591 N -3.33 1.73 -3.26 1.72 1.02 -1.24 -4.83 120.64 112.45 2fsh n GLU 591 Ca -0.03 -1.13 -0.38 0.00 -0.02 0.00 0.00 57.16 55.60 2fsh n GLU 591 Cb 0.09 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 2fsh n GLU 591 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2fsh s ASP 592 N -1.09 7.07 0.37 1.62 -0.00 -0.90 -4.94 116.67 118.80 2fsh s ASP 592 Ca 0.23 1.28 0.16 0.00 -0.00 0.00 0.00 52.55 54.23 2fsh s ASP 592 Cb 0.12 -2.37 1.07 0.00 -0.00 0.00 0.00 42.92 41.75 2fsh s ASP 592 CO 0.16 0.26 1.72 0.00 -0.00 0.00 0.00 175.17 177.31 2fsh h ALA 593 N 4.45 2.11 0.00 5.23 0.00 -1.91 0.37 119.26 129.51 2fsh h ALA 593 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2fsh h ALA 593 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2fsh h ALA 593 CO 0.64 -0.60 0.14 -0.11 0.00 0.00 0.00 179.25 179.32 2fsh n LEU 594 N -4.79 0.18 -0.15 0.00 7.94 -1.26 -0.91 117.00 118.01 2fsh n LEU 594 Ca 0.28 0.49 0.15 0.00 -1.11 0.00 0.00 56.01 55.82 2fsh n LEU 594 Cb 0.92 -0.49 0.70 0.00 0.53 0.00 0.00 43.42 45.08 2fsh n LEU 594 CO 0.19 -0.55 0.95 0.80 -1.11 0.00 0.00 177.39 177.67 2fsh n MET 595 N -1.69 0.95 -0.13 1.96 1.56 0.13 -2.76 117.12 117.13 2fsh n MET 595 Ca -0.00 -0.29 0.09 0.00 -0.27 0.00 0.00 57.70 57.22 2fsh n MET 595 Cb 0.15 -1.49 0.29 0.00 2.15 0.00 0.00 33.22 34.32 2fsh n MET 595 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2fsh n ARG 596 N -0.77 1.87 0.10 2.12 5.12 -0.09 -3.75 116.66 121.27 2fsh n ARG 596 Ca 0.18 -1.33 -0.04 0.00 -1.93 0.00 0.00 57.85 54.73 2fsh n ARG 596 Cb 0.24 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2fsh n ARG 596 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 2fsh h ILE 597 N 2.49 1.50 -3.27 0.55 3.07 -1.69 -3.41 117.51 116.75 2fsh h ILE 597 Ca 0.00 -2.83 -0.55 0.00 1.55 0.00 0.00 64.86 63.03 2fsh h ILE 597 Cb 0.55 2.56 -0.02 0.00 -0.27 0.00 0.00 36.82 39.64 2fsh h ILE 597 CO 0.00 0.79 0.53 -0.36 -1.05 0.00 0.00 178.15 178.05 2fsh s PHE 598 N -3.03 3.49 -1.06 0.16 0.08 -1.25 -4.88 117.98 111.50 2fsh s PHE 598 Ca 0.01 1.52 0.04 0.00 0.12 0.00 0.00 56.93 58.61 2fsh s PHE 598 Cb 0.10 -3.24 0.20 0.00 -0.57 0.00 0.00 43.02 39.51 2fsh s PHE 598 CO 0.79 -0.50 0.88 0.00 -0.10 0.00 0.00 175.22 176.29 2fsh n ALA 599 N 4.54 2.78 -3.91 5.36 0.00 -1.26 -4.72 120.51 123.29 2fsh n ALA 599 Ca 0.08 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 2fsh n ALA 599 Cb 0.49 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.75 2fsh n ALA 599 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fsh s SER 600 N -0.36 3.00 0.11 0.00 0.15 -1.26 -5.00 113.70 110.33 2fsh s SER 600 Ca 0.14 -0.59 -0.24 0.00 0.70 0.00 0.00 55.95 55.95 2fsh s SER 600 Cb 0.10 -1.39 -0.09 0.00 -1.71 0.00 0.00 66.02 62.93 2fsh s SER 600 CO 0.05 0.02 1.68 -0.78 1.20 0.00 0.00 173.24 175.41 2fsh h ASP 601 N 7.70 -0.42 0.87 5.45 3.58 -1.93 -2.85 116.42 128.83 2fsh h ASP 601 Ca -0.39 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 56.96 2fsh h ASP 601 Cb 1.16 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 2fsh h ASP 601 CO 0.58 -0.21 -0.76 -0.09 -2.88 0.00 0.00 179.24 175.88 2fsh h ARG 602 N -0.27 0.00 0.04 0.28 2.43 -1.98 -3.02 114.38 111.86 2fsh h ARG 602 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2fsh h ARG 602 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2fsh h ARG 602 CO -0.11 0.76 -0.02 0.28 -1.51 0.00 0.00 179.97 179.37 2fsh h VAL 603 N 0.00 1.15 -1.02 0.20 2.07 -1.98 -2.56 116.25 114.12 2fsh h VAL 603 Ca -0.01 -0.60 0.27 0.00 0.82 0.00 0.00 66.70 67.19 2fsh h VAL 603 Cb 1.39 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 32.64 2fsh h VAL 603 CO 0.10 0.15 0.69 0.28 0.02 0.00 0.00 177.57 178.81 2fsh h SER 604 N -0.31 0.25 -0.15 0.57 0.02 -1.50 -3.03 113.55 109.40 2fsh h SER 604 Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2fsh h SER 604 Cb 0.29 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2fsh h SER 604 CO 0.01 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 2fsh n GLY 605 N -1.59 0.92 0.07 -3.77 0.00 -0.96 -3.39 105.19 96.47 2fsh n GLY 605 Ca 0.23 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2fsh n GLY 605 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2fsh n MET 606 N 0.08 0.63 -0.37 1.61 1.56 -1.14 -2.35 117.12 117.12 2fsh n MET 606 Ca 0.06 0.01 -0.02 0.00 -0.27 0.00 0.00 57.70 57.48 2fsh n MET 606 Cb 0.32 -1.71 0.11 0.00 2.15 0.00 0.00 33.22 34.09 2fsh n MET 606 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 2fsh h MET 607 N 0.00 1.31 -1.93 2.12 2.86 -1.80 0.18 114.93 117.68 2fsh h MET 607 Ca -0.03 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2fsh h MET 607 Cb 1.08 -0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2fsh h MET 607 CO 0.00 0.87 0.00 0.54 1.06 0.00 0.00 176.91 179.38 2fsh n ARG 608 N -4.39 0.83 0.00 1.72 5.12 -0.99 -2.83 116.66 116.12 2fsh n ARG 608 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2fsh n ARG 608 Cb 0.01 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 2fsh n ARG 608 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2fsh n LYS 609 N 1.49 0.00 -2.27 5.56 3.00 0.06 -4.90 118.16 121.10 2fsh n LYS 609 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2fsh n LYS 609 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.19 2fsh n LYS 609 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2fsh n LEU 610 N -0.51 6.71 -3.40 3.14 -0.00 0.42 -4.97 117.00 118.39 2fsh n LEU 610 Ca 0.00 -4.61 -0.40 0.00 -0.00 0.00 0.00 56.01 51.00 2fsh n LEU 610 Cb 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 43.42 41.91 2fsh n LEU 610 CO 0.00 1.38 3.13 0.61 -0.00 0.00 0.00 177.39 182.50 2fsh n GLY 611 N 2.87 4.45 0.02 1.47 0.00 -1.22 -4.86 105.19 107.93 2fsh n GLY 611 Ca 0.41 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2fsh n GLY 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fsh n MET 612 N 3.54 0.00 -4.21 1.61 2.81 -1.26 -4.99 117.12 114.62 2fsh n MET 612 Ca 0.72 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.49 2fsh n MET 612 Cb 0.25 -0.01 -0.10 0.00 -0.71 0.00 0.00 33.22 32.65 2fsh n MET 612 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2fsh s LYS 613 N -0.00 1.08 0.00 0.03 1.02 -1.26 -4.89 119.74 115.72 2fsh s LYS 613 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.45 2fsh s LYS 613 Cb 0.00 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2fsh s LYS 613 CO 0.00 -0.25 0.72 -0.35 -0.92 0.00 0.00 175.35 174.56 2fsh n PRO 614 N -0.21 0.00 -2.54 -1.68 -0.04 -1.26 -3.11 135.00 126.16 2fsh n PRO 614 Ca -0.04 0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 2fsh n PRO 614 Cb 0.64 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.80 2fsh n PRO 614 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fsh n GLY 615 N -0.26 5.82 2.72 0.55 0.00 -1.26 -4.74 105.19 108.02 2fsh n GLY 615 Ca 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 46.02 43.48 2fsh n GLY 615 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsh n GLU 616 N 0.56 0.65 -2.87 1.61 1.02 -1.18 -5.15 120.64 115.28 2fsh n GLU 616 Ca 0.48 -1.46 -0.36 0.00 -0.02 0.00 0.00 57.16 55.80 2fsh n GLU 616 Cb 0.27 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 2fsh n GLU 616 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsh s ALA 617 N 0.38 3.22 0.01 0.62 0.00 -1.26 -4.12 121.76 120.61 2fsh s ALA 617 Ca 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2fsh s ALA 617 Cb 0.25 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 2fsh s ALA 617 CO -0.16 0.20 -0.02 -0.89 0.00 0.00 0.00 175.76 174.90 2fsh n ILE 618 N 0.30 0.31 -0.04 0.00 5.41 -1.26 -5.14 119.36 118.94 2fsh n ILE 618 Ca 0.02 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2fsh n ILE 618 Cb 0.51 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 2fsh n ILE 618 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fsh n GLU 619 N -2.79 0.00 -3.94 0.38 1.02 -1.26 -5.12 120.64 108.94 2fsh n GLU 619 Ca -0.01 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 2fsh n GLU 619 Cb 0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.28 2fsh n GLU 619 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fsh s HIS 620 N -0.13 2.02 0.48 -0.32 3.76 -1.26 -5.03 115.29 114.81 2fsh s HIS 620 Ca 0.00 -1.30 0.32 0.00 -0.15 0.00 0.00 55.06 53.93 2fsh s HIS 620 Cb 0.00 -1.46 1.71 0.00 1.11 0.00 0.00 32.58 33.94 2fsh s HIS 620 CO 0.00 -0.67 2.17 -1.00 -0.85 0.00 0.00 174.74 174.39 2fsh h PRO 621 N 8.06 0.00 0.00 8.40 0.13 -1.99 -1.64 132.00 144.95 2fsh h PRO 621 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 2fsh h PRO 621 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2fsh h PRO 621 CO 0.44 0.06 -0.21 0.11 -0.23 0.00 0.00 178.00 178.16 2fsh h TRP 622 N 0.00 0.00 -0.50 1.56 5.08 -1.99 -2.56 115.95 117.55 2fsh h TRP 622 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 2fsh h TRP 622 Cb 0.20 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.35 2fsh h TRP 622 CO 0.00 0.21 -0.00 0.28 -1.28 0.00 0.00 178.44 177.65 2fsh h VAL 623 N 0.00 1.26 -0.33 0.12 2.07 -1.69 0.75 116.25 118.44 2fsh h VAL 623 Ca -0.00 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2fsh h VAL 623 Cb 0.46 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2fsh h VAL 623 CO 0.03 0.38 0.14 0.74 0.02 0.00 0.00 177.57 178.88 2fsh h THR 624 N 0.74 1.17 -0.39 2.57 2.02 -1.56 0.03 112.91 117.49 2fsh h THR 624 Ca 0.14 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2fsh h THR 624 Cb 0.52 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2fsh h THR 624 CO 0.03 0.18 0.19 0.11 0.37 0.00 0.00 175.52 176.40 2fsh h LYS 625 N 0.38 0.56 -0.87 6.66 1.57 -1.07 -2.13 116.57 121.67 2fsh h LYS 625 Ca 0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2fsh h LYS 625 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2fsh h LYS 625 CO -0.01 0.49 0.45 0.00 -0.57 0.00 0.00 179.45 179.81 2fsh h ALA 626 N 1.04 1.15 -0.27 3.86 0.00 1.00 -1.19 119.26 124.85 2fsh h ALA 626 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2fsh h ALA 626 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2fsh h ALA 626 CO -0.02 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.62 2fsh h ILE 627 N 1.23 1.29 -0.89 0.00 2.04 -0.93 -0.83 117.51 119.42 2fsh h ILE 627 Ca 0.30 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2fsh h ILE 627 Cb 0.07 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2fsh h ILE 627 CO -0.04 0.36 0.58 0.00 0.00 0.00 0.00 178.15 179.05 2fsh h ALA 628 N 0.76 1.13 -0.30 1.87 0.00 -1.23 -1.39 119.26 120.10 2fsh h ALA 628 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2fsh h ALA 628 Cb 0.59 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2fsh h ALA 628 CO 0.03 0.54 -0.29 -0.97 0.00 0.00 0.00 179.25 178.57 2fsh h ASN 629 N 1.21 0.62 -0.45 0.00 -0.00 -1.10 -1.27 115.58 114.58 2fsh h ASN 629 Ca 0.32 -0.23 -0.13 0.00 -0.00 0.00 0.00 56.30 56.27 2fsh h ASN 629 Cb -0.12 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.01 2fsh h ASN 629 CO -0.07 0.88 -0.20 0.00 -0.00 0.00 0.00 177.43 178.04 2fsh h ALA 630 N 1.17 0.75 -0.78 1.57 0.00 -0.42 0.05 119.26 121.60 2fsh h ALA 630 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2fsh h ALA 630 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2fsh h ALA 630 CO 0.06 0.67 0.29 1.96 0.00 0.00 0.00 179.25 182.22 2fsh h GLN 631 N 0.83 1.19 -0.52 0.00 4.20 -1.08 -1.23 115.11 118.50 2fsh h GLN 631 Ca 0.11 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 2fsh h GLN 631 Cb 0.76 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2fsh h GLN 631 CO 0.06 0.98 0.02 -0.09 -0.67 0.00 0.00 178.83 179.13 2fsh h ARG 632 N 1.15 0.87 0.00 1.46 2.43 -0.99 -0.86 114.38 118.44 2fsh h ARG 632 Ca 0.26 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2fsh h ARG 632 Cb 0.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2fsh h ARG 632 CO -0.02 0.85 -0.41 0.87 -1.51 0.00 0.00 179.97 179.75 2fsh h LYS 633 N 0.81 0.00 -0.17 0.20 1.57 -0.82 -2.29 116.57 115.86 2fsh h LYS 633 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2fsh h LYS 633 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2fsh h LYS 633 CO 0.02 0.41 -0.34 0.28 -0.57 0.00 0.00 179.45 179.26 2fsh h VAL 634 N 0.00 1.35 -0.62 0.50 2.07 -0.87 -1.63 116.25 117.04 2fsh h VAL 634 Ca -0.00 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 65.99 2fsh h VAL 634 Cb 0.74 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 2fsh h VAL 634 CO 0.05 0.48 0.33 -0.08 0.02 0.00 0.00 177.57 178.38 2fsh h GLU 635 N 0.17 0.61 -0.04 1.57 4.57 -1.07 0.22 114.58 120.60 2fsh h GLU 635 Ca 0.01 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 2fsh h GLU 635 Cb 0.94 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2fsh h GLU 635 CO 0.08 0.40 -0.78 1.03 -1.18 0.00 0.00 179.01 178.56 2fsh h SER 636 N 0.62 0.40 -0.52 1.04 0.87 -1.37 0.23 113.55 114.82 2fsh h SER 636 Ca 0.28 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2fsh h SER 636 Cb 0.18 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2fsh h SER 636 CO -0.18 1.03 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.94 2fsh h ARG 637 N 0.21 1.01 -0.51 2.24 2.43 -0.98 -1.68 114.38 117.09 2fsh h ARG 637 Ca -0.04 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 2fsh h ARG 637 Cb 1.37 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2fsh h ARG 637 CO 0.13 1.06 0.07 -0.91 -1.51 0.00 0.00 179.97 178.81 2fsh h ASN 638 N 0.87 0.82 -0.32 -3.80 -0.26 -0.50 -2.84 115.58 109.55 2fsh h ASN 638 Ca 0.13 -0.27 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2fsh h ASN 638 Cb 0.69 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 2fsh h ASN 638 CO 0.05 0.88 0.19 0.15 -1.06 0.00 0.00 177.43 177.64 2fsh h PHE 639 N 0.73 0.44 -0.87 1.19 3.57 -0.94 -1.41 116.94 119.65 2fsh h PHE 639 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2fsh h PHE 639 Cb 0.41 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2fsh h PHE 639 CO 0.03 0.31 0.52 -0.44 -2.23 0.00 0.00 178.31 176.50 2fsh h ASP 640 N 0.47 1.04 -0.17 0.41 3.32 -1.18 0.73 116.42 121.05 2fsh h ASP 640 Ca 0.12 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2fsh h ASP 640 Cb 0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2fsh h ASP 640 CO -0.02 0.80 -0.16 0.40 -1.72 0.00 0.00 179.24 178.54 2fsh h ILE 641 N 1.20 1.34 -0.76 0.35 2.04 -1.24 -2.80 117.51 117.64 2fsh h ILE 641 Ca 0.31 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.87 2fsh h ILE 641 Cb -0.05 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2fsh h ILE 641 CO -0.06 0.39 0.50 -0.09 0.00 0.00 0.00 178.15 178.89 2fsh h ARG 642 N 0.06 1.01 -0.91 2.37 2.43 -1.16 -2.92 114.38 115.25 2fsh h ARG 642 Ca 0.03 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2fsh h ARG 642 Cb 0.69 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 2fsh h ARG 642 CO 0.04 0.67 0.60 0.87 -1.51 0.00 0.00 179.97 180.65 2fsh h LYS 643 N 1.03 1.15 -0.85 0.20 1.57 -0.83 -0.18 116.57 118.66 2fsh h LYS 643 Ca 0.28 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2fsh h LYS 643 Cb -0.11 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 31.90 2fsh h LYS 643 CO -0.06 0.76 0.51 1.96 -0.57 0.00 0.00 179.45 182.05 2fsh h GLN 644 N 1.18 1.16 -0.21 3.15 1.08 -1.31 -1.11 115.11 119.06 2fsh h GLN 644 Ca 0.35 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.33 2fsh h GLN 644 Cb -0.05 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 2fsh h GLN 644 CO -0.09 0.81 -0.37 -0.07 -0.95 0.00 0.00 178.83 178.16 2fsh h LEU 645 N 1.18 0.49 -0.97 1.46 3.38 -1.16 -2.53 115.31 117.16 2fsh h LEU 645 Ca 0.31 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2fsh h LEU 645 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2fsh h LEU 645 CO -0.06 0.82 -0.28 -0.07 0.09 0.00 0.00 178.44 178.95 2fsh h LEU 646 N 0.39 0.00 -0.71 1.67 3.38 -0.44 -1.33 115.31 118.28 2fsh h LEU 646 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2fsh h LEU 646 Cb 0.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2fsh h LEU 646 CO 0.07 0.28 0.31 -0.33 0.09 0.00 0.00 178.44 178.85 2fsh h GLU 647 N 0.00 1.04 -0.58 1.13 5.08 -0.78 -1.58 114.58 118.88 2fsh h GLU 647 Ca -0.00 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2fsh h GLU 647 Cb 0.83 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2fsh h GLU 647 CO 0.04 0.84 0.09 1.88 -1.00 0.00 0.00 179.01 180.86 2fsh h TYR 648 N 1.00 0.99 0.00 4.33 -1.99 -1.24 -1.88 116.97 118.18 2fsh h TYR 648 Ca 0.24 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 2fsh h TYR 648 Cb 0.17 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.62 2fsh h TYR 648 CO 0.01 0.85 -0.14 -0.44 -0.00 0.00 0.00 178.16 178.44 2fsh h ASP 649 N 0.89 0.00 1.34 3.88 3.32 -0.85 -2.85 116.42 122.15 2fsh h ASP 649 Ca 0.18 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 2fsh h ASP 649 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2fsh h ASP 649 CO 0.01 0.14 -0.40 0.44 -1.72 0.00 0.00 179.24 177.72 2fsh h ASP 650 N 0.00 0.00 0.35 6.45 3.32 -0.43 -0.26 116.42 125.85 2fsh h ASP 650 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2fsh h ASP 650 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2fsh h ASP 650 CO 0.02 0.40 -0.17 0.58 -1.72 0.00 0.00 179.24 178.35 2fsh h VAL 651 N 0.00 0.64 -0.64 -1.35 2.07 -1.50 0.18 116.25 115.64 2fsh h VAL 651 Ca -0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2fsh h VAL 651 Cb 1.17 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2fsh h VAL 651 CO 0.05 0.09 0.39 0.00 0.02 0.00 0.00 177.57 178.13 2fsh h ALA 652 N -0.25 0.83 -0.50 1.67 0.00 -1.60 -2.06 119.26 117.35 2fsh h ALA 652 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fsh h ALA 652 Cb 0.51 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2fsh h ALA 652 CO 0.08 0.15 0.33 -0.97 0.00 0.00 0.00 179.25 178.83 2fsh h ASN 653 N 0.78 0.56 -0.35 0.00 -1.24 -0.89 -1.35 115.58 113.09 2fsh h ASN 653 Ca 0.25 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.27 2fsh h ASN 653 Cb 0.01 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 2fsh h ASN 653 CO -0.10 0.40 0.20 0.44 -1.29 0.00 0.00 177.43 177.08 2fsh h ASP 654 N 0.66 0.32 -0.45 1.15 3.45 -0.13 -1.12 116.42 120.30 2fsh h ASP 654 Ca 0.19 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.54 2fsh h ASP 654 Cb -0.06 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 2fsh h ASP 654 CO -0.05 0.23 -0.16 1.56 -1.57 0.00 0.00 179.24 179.25 2fsh h GLN 655 N 0.40 0.90 -0.18 3.56 4.20 -1.28 -2.43 115.11 120.28 2fsh h GLN 655 Ca 0.14 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 2fsh h GLN 655 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2fsh h GLN 655 CO -0.07 1.02 -0.00 -0.09 -0.67 0.00 0.00 178.83 179.02 2fsh h ARG 656 N 0.74 0.33 -0.86 1.46 2.43 -1.14 0.00 114.38 117.34 2fsh h ARG 656 Ca 0.11 -0.11 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2fsh h ARG 656 Cb 0.72 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 2fsh h ARG 656 CO 0.06 0.54 0.48 0.00 -1.51 0.00 0.00 179.97 179.54 2fsh h ARG 657 N 0.08 0.73 -0.15 0.20 2.47 -1.21 -1.01 114.38 115.49 2fsh h ARG 657 Ca 0.05 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 2fsh h ARG 657 Cb 0.40 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2fsh h ARG 657 CO 0.01 0.48 -0.19 0.00 0.56 0.00 0.00 179.97 180.83 2fsh h ALA 658 N 1.51 0.22 -0.56 0.04 0.00 -1.19 -1.26 119.26 118.02 2fsh h ALA 658 Ca 0.44 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2fsh h ALA 658 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2fsh h ALA 658 CO -0.30 0.15 -0.05 0.97 0.00 0.00 0.00 179.25 180.02 2fsh h ILE 659 N 0.00 1.26 -0.11 0.00 6.09 -0.87 -1.75 117.51 122.14 2fsh h ILE 659 Ca 0.02 -1.19 -0.16 0.00 -1.37 0.00 0.00 64.86 62.16 2fsh h ILE 659 Cb 0.75 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 2fsh h ILE 659 CO 0.05 0.42 -0.61 1.88 -3.07 0.00 0.00 178.15 176.82 2fsh h TYR 660 N 0.91 0.48 -0.50 2.19 -1.99 -1.24 0.11 116.97 116.94 2fsh h TYR 660 Ca 0.15 -0.19 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 2fsh h TYR 660 Cb 0.60 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 2fsh h TYR 660 CO 0.04 0.89 0.07 1.03 -0.00 0.00 0.00 178.16 180.19 2fsh h SER 661 N 0.28 0.75 -0.22 3.88 0.87 -1.03 0.11 113.55 118.18 2fsh h SER 661 Ca -0.01 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2fsh h SER 661 Cb 1.14 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2fsh h SER 661 CO 0.10 0.77 0.01 -0.61 -0.53 0.00 0.00 176.83 176.58 2fsh h GLN 662 N 0.75 0.39 -0.72 2.24 4.15 -1.15 -2.17 115.11 118.61 2fsh h GLN 662 Ca 0.16 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2fsh h GLN 662 Cb 0.36 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2fsh h GLN 662 CO 0.01 0.56 0.47 -0.09 -1.93 0.00 0.00 178.83 177.85 2fsh h ARG 663 N 0.17 0.92 0.00 1.69 2.43 -0.63 -2.32 114.38 116.63 2fsh h ARG 663 Ca 0.06 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2fsh h ARG 663 Cb 0.38 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2fsh h ARG 663 CO 0.01 0.61 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.69 2fsh h ASN 664 N 0.95 0.00 -0.31 -3.80 -0.26 -0.85 -1.01 115.58 110.30 2fsh h ASN 664 Ca 0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2fsh h ASN 664 Cb -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 2fsh h ASN 664 CO -0.07 0.48 0.18 -0.33 -1.06 0.00 0.00 177.43 176.63 2fsh h GLU 665 N 0.00 0.42 -0.53 0.81 5.08 -1.02 -0.65 114.58 118.69 2fsh h GLU 665 Ca -0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2fsh h GLU 665 Cb 0.96 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2fsh h GLU 665 CO 0.06 0.33 0.33 -0.07 -1.00 0.00 0.00 179.01 178.67 2fsh h LEU 666 N 0.39 0.56 -1.09 1.33 3.38 -1.18 -3.04 115.31 115.67 2fsh h LEU 666 Ca 0.11 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2fsh h LEU 666 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2fsh h LEU 666 CO -0.02 0.40 -0.13 0.25 0.09 0.00 0.00 178.44 179.03 2fsh h LEU 667 N 0.67 0.48 -0.02 1.67 5.85 -0.95 -3.13 115.31 119.88 2fsh h LEU 667 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2fsh h LEU 667 Cb -0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2fsh h LEU 667 CO -0.07 0.64 -0.04 0.47 -0.34 0.00 0.00 178.44 179.10 2fsh n ASP 668 N -4.20 0.06 -4.54 1.25 10.43 -0.27 -4.30 116.55 114.98 2fsh n ASP 668 Ca 0.01 0.19 -0.34 0.00 2.57 0.00 0.00 54.79 57.22 2fsh n ASP 668 Cb 0.33 -0.36 -0.11 0.00 1.84 0.00 0.00 41.12 42.81 2fsh n ASP 668 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2fsh s VAL 669 N -2.84 4.09 0.25 2.53 0.11 -1.17 -4.99 120.40 118.38 2fsh s VAL 669 Ca 0.19 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 2fsh s VAL 669 Cb 0.19 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 2fsh s VAL 669 CO 0.52 0.50 1.58 0.28 -3.33 0.00 0.00 175.10 174.65 2fsh h SER 670 N 6.48 0.19 -3.16 3.54 0.02 -1.86 -3.44 113.55 115.32 2fsh h SER 670 Ca -0.35 -0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 59.91 2fsh h SER 670 Cb 1.19 -0.05 -0.36 0.00 0.14 0.00 0.00 62.40 63.31 2fsh h SER 670 CO 0.63 0.75 -0.83 -0.62 -1.14 0.00 0.00 176.83 175.62 2fsh s ASP 671 N -6.88 2.53 -0.02 3.07 -1.08 -1.26 -4.76 116.67 108.26 2fsh s ASP 671 Ca -0.03 -0.44 0.06 0.00 -0.52 0.00 0.00 52.55 51.62 2fsh s ASP 671 Cb 0.12 -1.09 0.16 0.00 -1.46 0.00 0.00 42.92 40.65 2fsh s ASP 671 CO 0.79 -0.05 1.13 0.52 0.52 0.00 0.00 175.17 178.07 2fsh n VAL 672 N 4.69 1.11 0.00 1.11 0.31 -1.26 -4.76 118.33 119.53 2fsh n VAL 672 Ca -0.17 -1.11 -0.10 0.00 -0.01 0.00 0.00 64.34 62.95 2fsh n VAL 672 Cb 0.50 0.42 -0.05 0.00 -0.91 0.00 0.00 33.84 33.81 2fsh n VAL 672 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2fsh h SER 673 N 0.89 -0.09 -1.01 4.52 0.02 -1.94 -1.10 113.55 114.85 2fsh h SER 673 Ca 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2fsh h SER 673 Cb 0.66 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 2fsh h SER 673 CO 0.01 -0.03 0.66 -0.08 -1.14 0.00 0.00 176.83 176.25 2fsh h GLU 674 N -0.00 1.22 0.19 3.45 4.81 -1.99 0.34 114.58 122.60 2fsh h GLU 674 Ca 0.04 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2fsh h GLU 674 Cb 0.07 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2fsh h GLU 674 CO -0.10 0.81 -0.09 1.15 -0.73 0.00 0.00 179.01 180.05 2fsh h THR 675 N 1.26 0.86 -0.46 0.32 2.02 -1.83 -1.49 112.91 113.59 2fsh h THR 675 Ca 0.41 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.43 2fsh h THR 675 Cb 0.03 1.01 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 2fsh h THR 675 CO -0.13 0.06 -0.00 0.40 0.37 0.00 0.00 175.52 176.21 2fsh h ILE 676 N -0.38 0.64 -0.44 3.11 1.08 -0.80 0.22 117.51 120.94 2fsh h ILE 676 Ca -0.03 -0.04 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 2fsh h ILE 676 Cb 0.29 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2fsh h ILE 676 CO 0.04 0.02 0.02 0.78 -0.69 0.00 0.00 178.15 178.32 2fsh h ASN 677 N 0.11 0.75 0.12 1.72 2.35 -0.27 0.12 115.58 120.48 2fsh h ASN 677 Ca 0.23 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2fsh h ASN 677 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2fsh h ASN 677 CO -0.38 0.86 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.88 2fsh h SER 678 N 0.61 -0.25 0.55 5.81 0.87 -1.03 -2.12 113.55 117.99 2fsh h SER 678 Ca 0.13 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2fsh h SER 678 Cb 0.46 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2fsh h SER 678 CO 0.02 -0.16 -0.27 0.16 -0.53 0.00 0.00 176.83 176.06 2fsh h ILE 679 N -0.23 0.84 -0.30 2.23 3.07 -0.73 -2.21 117.51 120.19 2fsh h ILE 679 Ca -0.00 -1.05 -0.12 0.00 1.55 0.00 0.00 64.86 65.23 2fsh h ILE 679 Cb 0.21 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.38 2fsh h ILE 679 CO -0.01 0.26 -0.31 -0.09 -1.05 0.00 0.00 178.15 176.95 2fsh h ARG 680 N 0.00 0.63 -0.11 0.16 2.43 -0.34 0.14 114.38 117.28 2fsh h ARG 680 Ca -0.00 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2fsh h ARG 680 Cb 0.61 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2fsh h ARG 680 CO 0.03 0.86 0.01 0.93 -1.51 0.00 0.00 179.97 180.30 2fsh h GLU 681 N 0.53 0.19 -0.67 0.20 5.08 -1.18 0.39 114.58 119.13 2fsh h GLU 681 Ca 0.06 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2fsh h GLU 681 Cb 0.80 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 2fsh h GLU 681 CO 0.07 0.41 -0.56 -0.44 -1.00 0.00 0.00 179.01 177.48 2fsh h ASP 682 N -0.05 -1.97 -0.39 1.42 3.32 -1.11 0.32 116.42 117.96 2fsh h ASP 682 Ca 0.03 0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 2fsh h ASP 682 Cb 0.31 0.84 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2fsh h ASP 682 CO 0.00 -0.32 0.18 0.58 -1.72 0.00 0.00 179.24 177.96 2fsh h VAL 683 N -0.21 1.18 -0.55 -1.35 2.07 -0.61 -2.01 116.25 114.76 2fsh h VAL 683 Ca 0.11 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2fsh h VAL 683 Cb 0.50 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2fsh h VAL 683 CO -0.74 0.19 -0.01 -0.26 0.02 0.00 0.00 177.57 176.77 2fsh h PHE 684 N 0.48 1.07 0.09 1.57 0.05 0.40 -0.98 116.94 119.62 2fsh h PHE 684 Ca 0.13 -0.19 0.02 0.00 3.82 0.00 0.00 57.97 61.75 2fsh h PHE 684 Cb 0.14 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.79 2fsh h PHE 684 CO -0.01 0.97 -0.20 -0.22 -0.18 0.00 0.00 178.31 178.67 2fsh h LYS 685 N 0.85 -0.36 -0.45 1.51 3.64 -0.27 -1.19 116.57 120.30 2fsh h LYS 685 Ca 0.15 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2fsh h LYS 685 Cb 0.55 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2fsh h LYS 685 CO 0.03 -0.24 -0.25 0.00 -2.27 0.00 0.00 179.45 176.72 2fsh h ALA 686 N 0.45 0.71 -0.35 5.00 0.00 -1.32 -1.50 119.26 122.25 2fsh h ALA 686 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2fsh h ALA 686 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2fsh h ALA 686 CO -0.12 0.67 0.21 1.15 0.00 0.00 0.00 179.25 181.16 2fsh h THR 687 N 0.81 1.12 -0.16 0.00 2.02 -1.04 -2.05 112.91 113.62 2fsh h THR 687 Ca 0.10 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 2fsh h THR 687 Cb 0.82 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2fsh h THR 687 CO 0.07 0.12 -0.50 0.40 0.37 0.00 0.00 175.52 175.98 2fsh h ILE 688 N 0.46 1.33 -1.00 3.11 2.04 -1.20 -2.65 117.51 119.59 2fsh h ILE 688 Ca 0.13 -1.74 0.21 0.00 1.00 0.00 0.00 64.86 64.45 2fsh h ILE 688 Cb 0.01 1.76 -0.11 0.00 -0.74 0.00 0.00 36.82 37.74 2fsh h ILE 688 CO -0.02 0.53 0.61 0.44 0.00 0.00 0.00 178.15 179.71 2fsh h ASP 689 N 0.34 0.72 0.00 1.72 3.32 -0.79 0.30 116.42 122.03 2fsh h ASP 689 Ca 0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2fsh h ASP 689 Cb 1.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2fsh h ASP 689 CO 0.09 0.23 0.06 0.00 -1.72 0.00 0.00 179.24 177.89 2fsh h ALA 690 N 1.66 1.04 0.00 3.45 0.00 -1.00 -3.29 119.26 121.12 2fsh h ALA 690 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2fsh h ALA 690 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2fsh h ALA 690 CO -0.38 -0.04 -0.37 0.66 0.00 0.00 0.00 179.25 179.12 2fsh n TYR 691 N -2.29 0.00 -3.64 0.00 4.01 -0.60 -4.98 117.16 109.66 2fsh n TYR 691 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 2fsh n TYR 691 Cb 0.09 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.02 2fsh n TYR 691 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2fsh s ILE 692 N -1.37 4.10 0.20 -0.72 1.01 0.97 -1.76 121.20 123.63 2fsh s ILE 692 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 58.95 2fsh s ILE 692 Cb 0.00 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2fsh s ILE 692 CO 0.00 -0.46 1.53 -2.84 0.00 0.00 0.00 174.94 173.17 2fsh s PRO 693 N 1.40 4.22 0.21 2.79 0.02 -1.26 -3.98 135.00 138.41 2fsh s PRO 693 Ca 0.03 2.36 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 2fsh s PRO 693 Cb -0.22 -3.13 -0.15 0.00 0.02 0.00 0.00 34.50 31.01 2fsh s PRO 693 CO 0.02 -0.55 1.00 -2.30 -0.33 0.00 0.00 177.00 174.83 2fsh n PRO 694 N 3.34 0.99 -1.54 5.54 -0.02 -1.26 -1.19 135.00 140.86 2fsh n PRO 694 Ca 0.11 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 2fsh n PRO 694 Cb 0.39 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 2fsh n PRO 694 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fsh n GLN 695 N 1.25 -1.41 -2.71 -0.52 6.02 -1.26 -4.94 117.38 113.80 2fsh n GLN 695 Ca 0.14 1.11 -0.31 0.00 -0.01 0.00 0.00 57.00 57.92 2fsh n GLN 695 Cb 0.27 -5.45 -0.04 0.00 1.02 0.00 0.00 30.24 26.03 2fsh n GLN 695 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2fsh s SER 696 N -2.59 6.61 0.38 1.08 0.15 -0.33 -5.05 113.70 113.95 2fsh s SER 696 Ca 0.00 1.35 -0.14 0.00 0.70 0.00 0.00 55.95 57.86 2fsh s SER 696 Cb 0.00 -2.41 -0.08 0.00 -1.71 0.00 0.00 66.02 61.82 2fsh s SER 696 CO 0.00 -0.45 0.79 -0.76 1.20 0.00 0.00 173.24 174.03 2fsh s LEU 697 N -3.79 3.92 0.53 3.45 1.02 -1.26 -4.95 118.68 117.60 2fsh s LEU 697 Ca 0.55 1.29 0.35 0.00 0.02 0.00 0.00 54.13 56.35 2fsh s LEU 697 Cb -0.10 -4.14 1.52 0.00 0.02 0.00 0.00 46.19 43.49 2fsh s LEU 697 CO 0.29 -0.33 1.79 -0.08 0.02 0.00 0.00 176.35 178.04 2fsh h GLU 698 N 1.73 0.04 -0.89 1.70 4.81 -1.99 -0.36 114.58 119.61 2fsh h GLU 698 Ca -0.48 -0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.00 2fsh h GLU 698 Cb 1.18 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 2fsh h GLU 698 CO 0.64 0.03 0.25 0.93 -0.73 0.00 0.00 179.01 180.12 2fsh h GLU 699 N 0.04 0.19 -1.03 1.92 5.08 -2.04 -2.90 114.58 115.84 2fsh h GLU 699 Ca 0.59 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 58.40 2fsh h GLU 699 Cb 2.26 -0.04 -0.28 0.00 0.50 0.00 0.00 28.75 31.19 2fsh h GLU 699 CO -0.04 0.13 0.69 -1.33 -1.00 0.00 0.00 179.01 177.46 2fsh n MET 700 N -5.24 2.32 -4.42 2.33 2.81 -0.14 -4.93 117.12 109.85 2fsh n MET 700 Ca 0.22 -2.88 -0.34 0.00 -1.81 0.00 0.00 57.70 52.89 2fsh n MET 700 Cb 0.72 -2.13 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 2fsh n MET 700 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2fsh s TRP 701 N -3.25 3.03 -0.30 2.03 0.52 -1.10 -4.35 118.94 115.52 2fsh s TRP 701 Ca 0.56 -0.25 -0.08 0.00 0.02 0.00 0.00 56.10 56.35 2fsh s TRP 701 Cb 0.45 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 2fsh s TRP 701 CO 0.06 0.01 0.10 0.34 0.02 0.00 0.00 176.95 177.48 2fsh s ASP 702 N 0.22 5.25 -0.14 2.95 2.15 -0.72 -4.99 116.67 121.39 2fsh s ASP 702 Ca -0.02 -0.61 0.04 0.00 0.43 0.00 0.00 52.55 52.38 2fsh s ASP 702 Cb -0.14 -1.92 -0.11 0.00 -0.30 0.00 0.00 42.92 40.45 2fsh s ASP 702 CO 0.03 -0.18 -0.09 -0.38 -0.17 0.00 0.00 175.17 174.38 2fsh n ILE 703 N 4.91 0.86 -0.09 4.11 -0.00 -1.26 -2.96 119.36 124.93 2fsh n ILE 703 Ca -0.14 -0.38 0.25 0.00 -0.00 0.00 0.00 62.75 62.48 2fsh n ILE 703 Cb 0.49 -0.95 0.58 0.00 -0.00 0.00 0.00 39.64 39.75 2fsh n ILE 703 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 2fsh h PRO 704 N 0.00 0.00 0.13 0.38 0.11 -1.99 0.78 132.00 131.41 2fsh h PRO 704 Ca -0.34 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.41 2fsh h PRO 704 Cb 1.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.68 2fsh h PRO 704 CO -0.04 0.00 -1.93 0.78 -0.21 0.00 0.00 178.00 176.60 2fsh h GLY 705 N 0.00 0.32 0.86 -0.55 0.00 -2.00 -3.39 103.07 98.30 2fsh h GLY 705 Ca 0.37 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2fsh h GLY 705 CO -0.00 0.71 -0.41 -2.00 0.00 0.00 0.00 176.54 174.84 2fsh h LEU 706 N 0.08 0.59 -0.09 3.11 5.85 -0.92 -2.83 115.31 121.10 2fsh h LEU 706 Ca -0.40 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 57.72 2fsh h LEU 706 Cb 2.05 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 2fsh h LEU 706 CO 0.11 1.09 0.05 0.06 -0.34 0.00 0.00 178.44 179.41 2fsh h GLN 707 N 0.13 0.12 0.00 1.25 3.07 0.23 -2.12 115.11 117.78 2fsh h GLN 707 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.62 2fsh h GLN 707 Cb 1.03 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.55 2fsh h GLN 707 CO 0.09 0.12 -0.45 0.93 0.09 0.00 0.00 178.83 179.61 2fsh h GLU 708 N 0.09 0.00 0.28 0.06 3.07 -1.74 -1.78 114.58 114.56 2fsh h GLU 708 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2fsh h GLU 708 Cb 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2fsh h GLU 708 CO -0.01 0.45 -0.27 -0.09 -1.40 0.00 0.00 179.01 177.69 2fsh h ARG 709 N 0.00 -0.56 -0.74 2.33 9.65 -1.36 0.35 114.38 124.06 2fsh h ARG 709 Ca -0.00 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2fsh h ARG 709 Cb 1.20 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 2fsh h ARG 709 CO 0.06 -0.37 0.27 -0.07 2.80 0.00 0.00 179.97 182.66 2fsh h LEU 710 N -0.58 1.04 -0.06 3.80 3.38 -1.26 0.22 115.31 121.85 2fsh h LEU 710 Ca -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2fsh h LEU 710 Cb 0.53 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2fsh h LEU 710 CO -0.05 0.94 -0.01 0.11 0.09 0.00 0.00 178.44 179.53 2fsh h LYS 711 N 1.07 0.11 -0.16 1.13 1.57 -0.70 -1.11 116.57 118.48 2fsh h LYS 711 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2fsh h LYS 711 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2fsh h LYS 711 CO -0.02 0.42 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.27 2fsh h ASN 712 N -0.20 0.36 0.97 0.86 4.21 -0.06 -1.60 115.58 120.12 2fsh h ASN 712 Ca 0.02 -0.44 0.00 0.00 1.21 0.00 0.00 56.30 57.09 2fsh h ASN 712 Cb 0.37 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2fsh h ASN 712 CO 0.00 0.72 -0.71 0.44 -1.29 0.00 0.00 177.43 176.60 2fsh h ASP 713 N 0.00 0.00 0.00 5.81 3.32 -1.07 -3.39 116.42 121.08 2fsh h ASP 713 Ca 0.03 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2fsh h ASP 713 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2fsh h ASP 713 CO 0.03 0.07 -0.15 0.49 -1.72 0.00 0.00 179.24 177.95 2fsh n PHE 714 N -2.35 0.00 -4.33 4.55 3.72 -0.93 -4.50 117.46 113.62 2fsh n PHE 714 Ca 0.02 -0.07 -0.36 0.00 -0.05 0.00 0.00 57.45 56.99 2fsh n PHE 714 Cb 0.48 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 2fsh n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2fsh n ASP 715 N -0.08 -1.47 -3.96 4.37 8.00 -0.60 -4.42 116.55 118.38 2fsh n ASP 715 Ca 0.01 -1.16 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 2fsh n ASP 715 Cb 0.55 -2.12 -0.15 0.00 -0.02 0.00 0.00 41.12 39.38 2fsh n ASP 715 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fsh s LEU 716 N -7.25 3.82 -0.64 0.64 2.96 -0.47 -4.94 118.68 112.80 2fsh s LEU 716 Ca 0.53 -1.83 -0.04 0.00 -0.22 0.00 0.00 54.13 52.56 2fsh s LEU 716 Cb -0.30 -1.42 0.17 0.00 0.50 0.00 0.00 46.19 45.14 2fsh s LEU 716 CO 0.98 -0.34 0.47 -0.62 -1.32 0.00 0.00 176.35 175.52 2fsh s ASP 717 N 1.13 5.45 -0.53 3.68 -1.08 -1.26 -2.02 116.67 122.03 2fsh s ASP 717 Ca 0.06 -2.78 0.01 0.00 -0.52 0.00 0.00 52.55 49.32 2fsh s ASP 717 Cb -0.19 -1.90 0.14 0.00 -1.46 0.00 0.00 42.92 39.51 2fsh s ASP 717 CO -0.11 -0.41 0.30 -0.76 0.52 0.00 0.00 175.17 174.72 2fsh s LEU 718 N 0.05 4.80 0.00 -1.34 1.02 -1.26 -5.02 118.68 116.92 2fsh s LEU 718 Ca 0.16 -2.78 -0.15 0.00 0.02 0.00 0.00 54.13 51.38 2fsh s LEU 718 Cb -0.19 -1.74 -0.19 0.00 0.02 0.00 0.00 46.19 44.09 2fsh s LEU 718 CO -0.04 -0.33 1.07 -0.81 0.02 0.00 0.00 176.35 176.26 2fsh n PRO 719 N 3.50 0.00 0.19 1.29 -0.04 -1.26 -4.67 135.00 134.01 2fsh n PRO 719 Ca 0.05 -0.57 0.08 0.00 -0.04 0.00 0.00 63.50 63.02 2fsh n PRO 719 Cb 0.36 -1.90 0.27 0.00 -0.04 0.00 0.00 33.50 32.19 2fsh n PRO 719 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2fsh h ILE 720 N 4.66 0.59 -0.71 0.52 2.10 -2.00 -2.10 117.51 120.57 2fsh h ILE 720 Ca 0.13 -1.50 0.11 0.00 1.08 0.00 0.00 64.86 64.68 2fsh h ILE 720 Cb 0.47 2.03 -0.05 0.00 -1.09 0.00 0.00 36.82 38.18 2fsh h ILE 720 CO 1.29 0.29 0.47 0.00 -1.08 0.00 0.00 178.15 179.13 2fsh h ALA 721 N 1.70 1.94 -0.00 0.18 0.00 -2.00 -1.92 119.26 119.17 2fsh h ALA 721 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fsh h ALA 721 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2fsh h ALA 721 CO 0.04 -0.10 -0.12 -0.85 0.00 0.00 0.00 179.25 178.22 2fsh n GLU 722 N -4.49 0.54 0.14 0.00 0.28 -0.79 -0.31 120.64 116.02 2fsh n GLU 722 Ca 0.12 -0.17 -0.06 0.00 -0.16 0.00 0.00 57.16 56.90 2fsh n GLU 722 Cb 0.39 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 2fsh n GLU 722 CO 0.00 0.00 0.00 -1.49 -0.16 0.00 0.00 177.13 175.48 2fsh h TRP 723 N 0.41 -0.36 -0.06 -1.84 -0.00 -1.43 -3.15 115.95 109.52 2fsh h TRP 723 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.90 2fsh h TRP 723 Cb 0.37 0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 2fsh h TRP 723 CO 0.00 -0.22 0.09 -0.07 -0.00 0.00 0.00 178.44 178.23 2fsh h LEU 724 N -0.61 0.00 -0.09 -4.49 3.38 -1.12 1.11 115.31 113.50 2fsh h LEU 724 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2fsh h LEU 724 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2fsh h LEU 724 CO 0.07 0.00 -0.43 0.44 0.09 0.00 0.00 178.44 178.60 2fsh h ASP 725 N 0.00 0.53 0.58 -0.43 5.19 -0.83 -3.36 116.42 118.11 2fsh h ASP 725 Ca 0.03 -0.65 -0.27 0.00 -0.62 0.00 0.00 57.03 55.53 2fsh h ASP 725 Cb 0.20 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2fsh h ASP 725 CO -0.00 1.09 -1.19 0.11 -3.12 0.00 0.00 179.24 176.13 2fsh h LYS 726 N 0.01 0.30 -4.64 3.56 1.79 0.46 -3.41 116.57 114.63 2fsh h LYS 726 Ca -0.03 -0.46 -0.66 0.00 -2.18 0.00 0.00 60.65 57.32 2fsh h LYS 726 Cb 1.08 0.17 -0.39 0.00 -1.58 0.00 0.00 32.23 31.50 2fsh h LYS 726 CO 0.09 1.20 -0.74 -1.83 -1.08 0.00 0.00 179.45 177.09 2fsh s GLU 727 N -2.77 1.57 -0.11 3.15 -1.05 0.32 -4.98 118.70 114.83 2fsh s GLU 727 Ca -0.04 -1.71 -0.00 0.00 -0.15 0.00 0.00 54.97 53.06 2fsh s GLU 727 Cb 0.07 -3.06 0.09 0.00 -0.44 0.00 0.00 34.13 30.79 2fsh s GLU 727 CO 0.88 -0.87 1.77 -2.30 0.95 0.00 0.00 175.26 175.69 2fsh n PRO 728 N 4.33 1.27 0.00 -4.83 -0.02 -1.26 -4.24 135.00 130.26 2fsh n PRO 728 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2fsh n PRO 728 Cb 0.42 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2fsh n PRO 728 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2fsh n GLU 729 N 0.84 5.07 0.39 -0.52 0.28 -1.26 -4.91 120.64 120.53 2fsh n GLU 729 Ca 0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.91 2fsh n GLU 729 Cb 0.58 -0.42 -0.10 0.00 1.43 0.00 0.00 31.44 32.93 2fsh n GLU 729 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 2fsh h LEU 730 N 0.00 -1.27 -0.23 -1.84 -0.00 -2.00 -3.50 115.31 106.47 2fsh h LEU 730 Ca 0.00 0.08 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 2fsh h LEU 730 Cb 0.00 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 2fsh h LEU 730 CO 0.00 -0.73 -0.40 1.41 -0.00 0.00 0.00 178.44 178.73 2fsh n HIS 731 N -5.61 -1.34 -0.26 0.17 8.25 -1.26 -4.38 115.22 110.79 2fsh n HIS 731 Ca -0.14 0.74 0.22 0.00 -0.26 0.00 0.00 57.72 58.28 2fsh n HIS 731 Cb 0.49 -1.30 0.55 0.00 1.12 0.00 0.00 29.99 30.85 2fsh n HIS 731 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2fsh h GLU 732 N -0.31 0.32 0.15 -0.41 4.81 -1.97 -0.98 114.58 116.19 2fsh h GLU 732 Ca -0.05 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.92 2fsh h GLU 732 Cb 0.42 -0.07 0.03 0.00 0.63 0.00 0.00 28.75 29.75 2fsh h GLU 732 CO 0.02 0.21 -1.05 1.49 -0.73 0.00 0.00 179.01 178.95 2fsh h GLU 733 N 0.33 0.45 0.00 1.92 4.57 -1.99 -1.87 114.58 118.00 2fsh h GLU 733 Ca 0.50 -0.68 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2fsh h GLU 733 Cb 1.38 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2fsh h GLU 733 CO -0.18 1.31 -0.03 1.79 -1.18 0.00 0.00 179.01 180.72 2fsh h THR 734 N -0.06 0.08 -0.19 0.32 1.35 -1.61 -1.00 112.91 111.81 2fsh h THR 734 Ca -0.17 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.99 2fsh h THR 734 Cb 1.79 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 2fsh h THR 734 CO 0.20 0.03 -0.01 0.25 -0.25 0.00 0.00 175.52 175.74 2fsh h LEU 735 N 0.00 0.34 0.24 3.87 5.85 -1.13 -2.73 115.31 121.76 2fsh h LEU 735 Ca -0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2fsh h LEU 735 Cb 0.62 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2fsh h LEU 735 CO 0.00 0.58 -0.12 0.03 -0.34 0.00 0.00 178.44 178.60 2fsh h ARG 736 N 0.08 -0.31 -0.91 1.25 3.08 -1.00 -1.86 114.38 114.71 2fsh h ARG 736 Ca 0.05 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.29 2fsh h ARG 736 Cb 0.42 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.37 2fsh h ARG 736 CO 0.01 -0.19 -0.27 0.93 -1.07 0.00 0.00 179.97 179.38 2fsh h GLU 737 N -0.35 -0.01 -0.39 0.04 5.08 -1.25 -1.75 114.58 115.94 2fsh h GLU 737 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2fsh h GLU 737 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2fsh h GLU 737 CO 0.05 -0.01 -0.17 0.00 -1.00 0.00 0.00 179.01 177.88 2fsh h ARG 738 N -0.01 0.81 -0.43 2.33 3.08 -1.19 -1.56 114.38 117.42 2fsh h ARG 738 Ca 0.40 -0.35 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2fsh h ARG 738 Cb 0.65 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2fsh h ARG 738 CO -0.93 0.98 0.25 0.82 -1.07 0.00 0.00 179.97 180.01 2fsh h ILE 739 N 0.62 1.04 -0.79 2.04 2.04 -0.50 -0.41 117.51 121.54 2fsh h ILE 739 Ca 0.09 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2fsh h ILE 739 Cb 0.72 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2fsh h ILE 739 CO 0.05 0.09 0.49 0.25 0.00 0.00 0.00 178.15 179.04 2fsh h LEU 740 N 0.50 0.79 -1.41 1.44 5.85 -1.36 -3.16 115.31 117.97 2fsh h LEU 740 Ca 0.17 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2fsh h LEU 740 Cb 0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2fsh h LEU 740 CO -0.08 0.53 0.44 0.00 -0.34 0.00 0.00 178.44 178.99 2fsh h ALA 741 N 1.35 1.68 -0.05 1.25 0.00 -0.04 -2.76 119.26 120.69 2fsh h ALA 741 Ca 0.33 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2fsh h ALA 741 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2fsh h ALA 741 CO -0.14 0.24 -0.30 1.96 0.00 0.00 0.00 179.25 181.01 2fsh h GLN 742 N 0.75 0.29 -0.39 0.00 1.08 -1.32 -1.58 115.11 113.94 2fsh h GLN 742 Ca 0.28 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2fsh h GLN 742 Cb 0.15 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2fsh h GLN 742 CO -0.08 0.90 0.24 0.66 -0.95 0.00 0.00 178.83 179.59 2fsh h SER 743 N -0.25 0.47 -0.61 1.46 4.64 -1.56 0.11 113.55 117.81 2fsh h SER 743 Ca -0.02 -0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.37 2fsh h SER 743 Cb 0.97 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 2fsh h SER 743 CO 0.06 0.39 -0.08 0.40 -0.87 0.00 0.00 176.83 176.73 2fsh h ILE 744 N 0.51 0.44 0.23 0.95 2.04 -1.50 0.26 117.51 120.45 2fsh h ILE 744 Ca 0.14 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2fsh h ILE 744 Cb 0.00 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2fsh h ILE 744 CO -0.03 0.01 -0.43 1.05 0.00 0.00 0.00 178.15 178.76 2fsh h GLU 745 N 0.05 -0.68 -0.82 2.37 4.11 0.12 0.17 114.58 119.90 2fsh h GLU 745 Ca 0.31 0.05 0.17 0.00 0.07 0.00 0.00 59.36 59.96 2fsh h GLU 745 Cb 0.49 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2fsh h GLU 745 CO -0.57 -0.46 0.55 0.28 0.07 0.00 0.00 179.01 178.88 2fsh h VAL 746 N -0.71 0.74 0.07 -1.06 2.07 -0.58 -2.26 116.25 114.53 2fsh h VAL 746 Ca -0.03 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2fsh h VAL 746 Cb 0.67 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2fsh h VAL 746 CO -0.16 0.07 -0.04 0.22 0.02 0.00 0.00 177.57 177.69 2fsh h TYR 747 N 0.40 -0.09 -0.36 1.57 5.03 -0.13 -2.46 116.97 120.94 2fsh h TYR 747 Ca 0.41 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.79 2fsh h TYR 747 Cb 1.00 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 2fsh h TYR 747 CO -0.00 0.41 0.25 1.96 -1.32 0.00 0.00 178.16 179.45 2fsh h GLN 748 N -0.66 0.18 0.04 1.82 4.20 -0.19 -1.68 115.11 118.83 2fsh h GLN 748 Ca -0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2fsh h GLN 748 Cb 0.54 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2fsh h GLN 748 CO 0.02 0.12 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.18 2fsh h ARG 749 N 0.18 -0.06 -0.90 1.46 2.43 -1.42 -0.53 114.38 115.55 2fsh h ARG 749 Ca 0.16 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.48 2fsh h ARG 749 Cb 0.41 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 2fsh h ARG 749 CO -0.03 0.36 0.58 0.87 -1.51 0.00 0.00 179.97 180.25 2fsh h LYS 750 N -0.49 0.66 -0.02 0.20 6.56 -0.88 -2.49 116.57 120.10 2fsh h LYS 750 Ca -0.01 -0.04 -0.16 0.00 -1.06 0.00 0.00 60.65 59.38 2fsh h LYS 750 Cb 0.45 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 2fsh h LYS 750 CO 0.01 0.44 -0.73 1.49 -2.06 0.00 0.00 179.45 178.60 2fsh h GLU 751 N 0.68 0.16 -0.00 3.15 4.81 -1.09 -2.21 114.58 120.08 2fsh h GLU 751 Ca 0.46 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2fsh h GLU 751 Cb 0.75 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2fsh h GLU 751 CO -0.21 0.81 -0.42 1.05 -0.73 0.00 0.00 179.01 179.51 2fsh h GLU 752 N 0.10 0.01 -0.12 1.92 4.11 -0.65 0.10 114.58 120.05 2fsh h GLU 752 Ca -0.02 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.23 2fsh h GLU 752 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2fsh h GLU 752 CO 0.11 0.43 -0.65 0.28 0.07 0.00 0.00 179.01 179.25 2fsh h VAL 753 N 0.01 1.35 0.01 -1.06 2.07 -1.34 -3.39 116.25 113.90 2fsh h VAL 753 Ca -0.00 -1.99 -0.37 0.00 0.82 0.00 0.00 66.70 65.16 2fsh h VAL 753 Cb 0.75 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 2fsh h VAL 753 CO 0.06 0.60 -2.33 0.52 0.02 0.00 0.00 177.57 176.44 2fsh n VAL 754 N -3.89 1.46 0.00 2.57 0.31 -0.84 -5.10 118.33 112.83 2fsh n VAL 754 Ca -0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 2fsh n VAL 754 Cb 0.66 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 2fsh n VAL 754 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fsh n GLY 755 N 1.88 2.47 0.14 2.92 0.00 0.32 -4.61 105.19 108.31 2fsh n GLY 755 Ca -0.35 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.12 2fsh n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fsh h ALA 756 N 0.00 -0.70 -0.72 4.61 0.00 -1.96 -0.61 119.26 119.89 2fsh h ALA 756 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2fsh h ALA 756 Cb 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 2fsh h ALA 756 CO 0.00 -0.74 -0.29 0.39 0.00 0.00 0.00 179.25 178.61 2fsh n GLU 757 N -3.30 -0.18 -0.22 0.00 -0.58 -1.26 0.06 120.64 115.16 2fsh n GLU 757 Ca -0.03 1.10 -0.08 0.00 -0.42 0.00 0.00 57.16 57.73 2fsh n GLU 757 Cb 0.12 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 29.40 2fsh n GLU 757 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2fsh h MET 758 N 0.00 1.08 -0.23 3.49 4.05 -1.75 -1.19 114.93 120.38 2fsh h MET 758 Ca 0.24 -0.32 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 2fsh h MET 758 Cb 0.42 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2fsh h MET 758 CO -0.71 1.03 -0.04 1.98 0.23 0.00 0.00 176.91 179.40 2fsh h MET 759 N 1.00 0.43 -1.00 0.39 1.85 0.12 0.62 114.93 118.35 2fsh h MET 759 Ca 0.19 -0.16 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2fsh h MET 759 Cb 0.51 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.46 2fsh h MET 759 CO 0.02 0.65 0.66 0.00 -0.40 0.00 0.00 176.91 177.84 2fsh h ARG 760 N 0.17 1.27 0.04 0.39 2.47 -0.62 0.21 114.38 118.31 2fsh h ARG 760 Ca 0.06 -0.08 -0.22 0.00 -1.26 0.00 0.00 59.98 58.48 2fsh h ARG 760 Cb 0.48 -0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2fsh h ARG 760 CO 0.02 0.84 -1.01 0.45 0.56 0.00 0.00 179.97 180.83 2fsh h HIS 761 N 1.30 0.27 -0.33 3.04 3.86 -0.95 -2.42 115.15 119.92 2fsh h HIS 761 Ca 0.38 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2fsh h HIS 761 Cb -0.08 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2fsh h HIS 761 CO -0.00 1.06 0.20 0.35 0.86 0.00 0.00 177.93 180.41 2fsh h PHE 762 N 0.07 0.43 -0.80 2.45 3.57 -0.51 -0.95 116.94 121.20 2fsh h PHE 762 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2fsh h PHE 762 Cb 1.70 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.26 2fsh h PHE 762 CO 0.03 0.30 0.47 0.93 -2.23 0.00 0.00 178.31 177.81 2fsh h GLU 763 N 0.43 1.10 -0.03 1.11 5.08 -0.46 0.64 114.58 122.44 2fsh h GLU 763 Ca 0.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2fsh h GLU 763 Cb -0.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2fsh h GLU 763 CO -0.02 0.78 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.54 2fsh h LYS 764 N 1.11 0.06 -0.54 2.33 3.64 -1.13 -1.85 116.57 120.21 2fsh h LYS 764 Ca 0.29 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2fsh h LYS 764 Cb -0.02 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2fsh h LYS 764 CO -0.05 0.41 0.23 0.78 -2.27 0.00 0.00 179.45 178.54 2fsh h GLY 765 N -0.28 0.82 1.36 5.01 0.00 -0.68 -1.01 103.07 108.29 2fsh h GLY 765 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2fsh h GLY 765 CO 0.00 0.38 -0.00 -2.08 0.00 0.00 0.00 176.54 174.84 2fsh h VAL 766 N 0.76 1.24 -0.23 4.60 2.07 -0.81 0.38 116.25 124.26 2fsh h VAL 766 Ca 0.18 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2fsh h VAL 766 Cb 0.13 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2fsh h VAL 766 CO -0.02 0.35 -0.15 0.24 0.02 0.00 0.00 177.57 178.01 2fsh h MET 767 N 0.73 0.50 -0.30 1.57 2.07 -0.63 -0.85 114.93 118.01 2fsh h MET 767 Ca 0.14 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.50 2fsh h MET 767 Cb 0.45 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.16 2fsh h MET 767 CO 0.02 0.80 0.05 -0.07 1.07 0.00 0.00 176.91 178.78 2fsh h LEU 768 N 0.21 0.47 -0.52 1.22 3.38 -1.11 -1.38 115.31 117.58 2fsh h LEU 768 Ca 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2fsh h LEU 768 Cb 0.67 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2fsh h LEU 768 CO 0.04 0.61 0.29 -0.61 0.09 0.00 0.00 178.44 178.86 2fsh h GLN 769 N 0.32 0.72 -0.41 1.13 4.15 -0.92 -1.79 115.11 118.31 2fsh h GLN 769 Ca 0.09 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2fsh h GLN 769 Cb 0.34 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2fsh h GLN 769 CO 0.01 0.55 0.25 1.15 -1.93 0.00 0.00 178.83 178.86 2fsh h THR 770 N 0.69 1.13 -0.95 2.39 2.02 -1.14 -0.21 112.91 116.84 2fsh h THR 770 Ca 0.18 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2fsh h THR 770 Cb 0.04 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 2fsh h THR 770 CO -0.03 0.13 0.59 0.25 0.37 0.00 0.00 175.52 176.83 2fsh h LEU 771 N 0.54 1.13 -0.21 2.58 6.46 -1.21 -1.50 115.31 123.10 2fsh h LEU 771 Ca 0.15 -0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.72 2fsh h LEU 771 Cb -0.01 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.64 2fsh h LEU 771 CO -0.03 0.85 -0.38 0.44 -0.62 0.00 0.00 178.44 178.71 2fsh h ASP 772 N 1.31 0.70 -0.55 1.25 3.32 -1.15 0.18 116.42 121.47 2fsh h ASP 772 Ca 0.34 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2fsh h ASP 772 Cb -0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2fsh h ASP 772 CO -0.07 1.11 0.35 0.28 -1.72 0.00 0.00 179.24 179.19 2fsh h SER 773 N 0.33 0.60 -0.06 6.45 0.02 -0.75 -1.70 113.55 118.43 2fsh h SER 773 Ca 0.01 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2fsh h SER 773 Cb 0.97 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2fsh h SER 773 CO 0.09 0.43 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.62 2fsh h LEU 774 N 0.71 0.69 -0.21 5.07 3.38 -1.18 -1.76 115.31 122.02 2fsh h LEU 774 Ca 0.21 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2fsh h LEU 774 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2fsh h LEU 774 CO -0.07 1.07 -0.04 -0.25 0.09 0.00 0.00 178.44 179.25 2fsh h TRP 775 N 0.49 0.44 -0.78 1.13 2.91 -0.84 -1.05 115.95 118.25 2fsh h TRP 775 Ca 0.02 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.94 2fsh h TRP 775 Cb 1.05 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 2fsh h TRP 775 CO 0.05 0.63 0.45 0.87 -1.03 0.00 0.00 178.44 179.41 2fsh h LYS 776 N 0.13 1.08 -0.80 2.65 1.57 -1.20 -0.11 116.57 119.89 2fsh h LYS 776 Ca 0.05 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2fsh h LYS 776 Cb 0.48 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2fsh h LYS 776 CO 0.02 0.78 0.53 1.49 -0.57 0.00 0.00 179.45 181.70 2fsh h GLU 777 N 1.08 1.04 -0.03 3.15 4.81 -1.18 -2.11 114.58 121.34 2fsh h GLU 777 Ca 0.28 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2fsh h GLU 777 Cb -0.00 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2fsh h GLU 777 CO -0.05 0.69 0.01 1.25 -0.73 0.00 0.00 179.01 180.18 2fsh h HIS 778 N 1.07 0.04 -0.82 0.92 2.76 -0.52 -1.20 115.15 117.40 2fsh h HIS 778 Ca 0.30 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.66 2fsh h HIS 778 Cb -0.10 -0.01 -0.12 0.00 1.55 0.00 0.00 27.41 28.72 2fsh h HIS 778 CO -0.02 0.18 0.26 -0.07 -1.30 0.00 0.00 177.93 176.98 2fsh h LEU 779 N -0.10 0.12 -0.10 0.26 4.07 -0.97 -0.31 115.31 118.29 2fsh h LEU 779 Ca 0.01 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2fsh h LEU 779 Cb 0.15 0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 2fsh h LEU 779 CO -0.00 -0.05 -0.00 0.00 -1.08 0.00 0.00 178.44 177.31 2fsh h ALA 780 N 1.68 0.13 -0.72 1.53 0.00 -1.08 -2.21 119.26 118.59 2fsh h ALA 780 Ca 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2fsh h ALA 780 Cb 0.91 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2fsh h ALA 780 CO -0.55 -0.18 0.44 0.00 0.00 0.00 0.00 179.25 178.97 2fsh h ALA 781 N 0.73 1.42 -0.25 0.00 0.00 -0.98 -1.52 119.26 118.67 2fsh h ALA 781 Ca 0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2fsh h ALA 781 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2fsh h ALA 781 CO 0.01 0.51 -0.43 0.52 0.00 0.00 0.00 179.25 179.85 2fsh h MET 782 N 0.99 0.62 -0.68 0.00 2.07 -1.03 0.10 114.93 117.01 2fsh h MET 782 Ca 0.26 -0.33 -0.04 0.00 -2.07 0.00 0.00 59.70 57.52 2fsh h MET 782 Cb -0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.66 2fsh h MET 782 CO -0.05 0.93 0.26 0.22 1.07 0.00 0.00 176.91 179.35 2fsh h ASP 783 N 0.50 0.95 -0.04 1.22 3.58 -0.86 0.14 116.42 121.90 2fsh h ASP 783 Ca 0.04 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 2fsh h ASP 783 Cb 0.96 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2fsh h ASP 783 CO 0.09 0.87 -0.35 1.88 -2.88 0.00 0.00 179.24 178.84 2fsh h TYR 784 N 0.97 0.62 -0.39 0.28 0.05 -1.18 -2.68 116.97 114.64 2fsh h TYR 784 Ca 0.23 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 2fsh h TYR 784 Cb 0.22 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 2fsh h TYR 784 CO 0.02 0.82 0.07 -0.07 -1.05 0.00 0.00 178.16 177.94 2fsh h LEU 785 N 0.45 0.61 -0.95 3.88 3.38 -0.81 0.12 115.31 122.00 2fsh h LEU 785 Ca 0.05 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2fsh h LEU 785 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2fsh h LEU 785 CO 0.07 0.71 0.11 -0.09 0.09 0.00 0.00 178.44 179.33 2fsh h ARG 786 N 0.49 0.88 0.08 1.13 2.43 -0.57 0.32 114.38 119.14 2fsh h ARG 786 Ca 0.12 -0.20 -0.30 0.00 -0.81 0.00 0.00 59.98 58.80 2fsh h ARG 786 Cb 0.36 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2fsh h ARG 786 CO 0.01 0.81 -1.55 -0.56 -1.51 0.00 0.00 179.97 177.16 2fsh h GLN 787 N 0.84 0.16 0.00 0.20 3.07 -1.55 -3.10 115.11 114.72 2fsh h GLN 787 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.64 2fsh h GLN 787 Cb 0.34 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.01 2fsh h GLN 787 CO 0.00 0.97 0.13 0.78 0.09 0.00 0.00 178.83 180.80 2fsh h GLY 788 N 2.21 0.00 -5.28 0.06 0.00 -0.47 -2.60 103.07 96.99 2fsh h GLY 788 Ca -0.24 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.43 2fsh h GLY 788 CO 0.13 0.00 1.51 1.39 0.00 0.00 0.00 176.54 179.57 2fsh n ILE 789 N -2.90 4.57 0.00 2.60 -0.00 0.11 -3.93 119.36 119.81 2fsh n ILE 789 Ca -0.02 -4.01 0.00 0.00 -0.00 0.00 0.00 62.75 58.72 2fsh n ILE 789 Cb 0.19 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.02 2fsh n ILE 789 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2fsh n HIS 790 N 1.15 0.00 -3.35 1.39 8.25 -0.98 -4.94 115.22 116.74 2fsh n HIS 790 Ca 0.56 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.86 2fsh n HIS 790 Cb 0.35 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 2fsh n HIS 790 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fsh s LEU 791 N -3.56 -0.17 0.00 2.41 1.02 -1.25 -4.98 118.68 112.14 2fsh s LEU 791 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.66 2fsh s LEU 791 Cb 0.00 0.66 0.00 0.00 0.02 0.00 0.00 46.19 46.87 2fsh s LEU 791 CO 0.00 -0.26 0.00 -1.14 0.02 0.00 0.00 176.35 174.97 2fsh n ARG 792 N 4.30 0.17 0.00 1.70 0.63 -1.26 -5.03 116.66 117.17 2fsh n ARG 792 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2fsh n ARG 792 Cb 0.46 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.39 2fsh n ARG 792 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fsh n GLY 793 N 3.42 -2.07 0.96 5.14 0.00 -1.26 -5.17 105.19 106.20 2fsh n GLY 793 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 2fsh n GLY 793 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fsh n TYR 794 N 0.00 -2.62 1.13 1.61 4.02 -1.26 -4.59 117.16 115.45 2fsh n TYR 794 Ca 0.00 1.41 0.14 0.00 -0.01 0.00 0.00 57.90 59.44 2fsh n TYR 794 Cb 0.00 -2.43 0.61 0.00 -0.02 0.00 0.00 39.34 37.50 2fsh n TYR 794 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fsh n ALA 795 N -1.76 2.54 -1.00 -0.72 0.00 -1.26 -4.41 120.51 113.90 2fsh n ALA 795 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2fsh n ALA 795 Cb 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2fsh n ALA 795 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2fsh n GLN 796 N -1.40 0.00 -1.51 0.00 0.00 -1.26 -4.22 117.38 108.99 2fsh n GLN 796 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.67 2fsh n GLN 796 Cb 0.31 -0.33 -0.07 0.00 0.00 0.00 0.00 30.24 30.15 2fsh n GLN 796 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2fsh n LYS 797 N 0.00 0.84 -1.46 3.69 4.01 -1.26 -4.47 118.16 119.51 2fsh n LYS 797 Ca 0.00 0.12 -0.52 0.00 -0.51 0.00 0.00 58.31 57.39 2fsh n LYS 797 Cb 0.00 -2.65 -0.07 0.00 -0.51 0.00 0.00 35.03 31.79 2fsh n LYS 797 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2fsh n ASP 798 N 12.48 2.08 -0.02 4.39 2.03 -1.26 -4.85 116.55 131.41 2fsh n ASP 798 Ca 0.45 0.53 -0.11 0.00 0.52 0.00 0.00 54.79 56.18 2fsh n ASP 798 Cb 0.32 -1.22 -0.05 0.00 -0.72 0.00 0.00 41.12 39.44 2fsh n ASP 798 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2fsh h PRO 799 N 11.37 0.17 -6.60 -0.67 0.13 -1.78 -2.27 132.00 132.35 2fsh h PRO 799 Ca -0.28 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 2fsh h PRO 799 Cb 1.33 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2fsh h PRO 799 CO 1.02 0.21 0.66 0.21 -0.23 0.00 0.00 178.00 179.86 2fsh s LYS 800 N -5.82 4.38 0.00 0.86 2.20 -1.26 -1.61 119.74 118.49 2fsh s LYS 800 Ca -0.13 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2fsh s LYS 800 Cb 0.07 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2fsh s LYS 800 CO 0.69 -0.31 0.00 1.04 -0.36 0.00 0.00 175.35 176.41 2fsh n GLN 801 N 3.31 0.00 -0.31 4.03 1.13 -1.26 -4.75 117.38 119.53 2fsh n GLN 801 Ca 0.08 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.10 2fsh n GLN 801 Cb 0.43 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.86 2fsh n GLN 801 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2fsh h GLU 802 N 0.00 1.20 -0.44 -1.09 4.57 -1.32 -0.27 114.58 117.22 2fsh h GLU 802 Ca 0.00 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 2fsh h GLU 802 Cb 0.00 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 2fsh h GLU 802 CO 0.00 0.91 0.09 -0.92 -1.18 0.00 0.00 179.01 177.91 2fsh h TYR 803 N 1.19 0.76 -0.75 0.92 5.03 -1.57 -1.08 116.97 121.46 2fsh h TYR 803 Ca 0.29 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 2fsh h TYR 803 Cb 0.08 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.11 2fsh h TYR 803 CO 0.01 0.71 0.36 0.87 -1.32 0.00 0.00 178.16 178.79 2fsh h LYS 804 N 0.59 1.07 0.02 1.82 1.57 -1.70 0.13 116.57 120.06 2fsh h LYS 804 Ca 0.14 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2fsh h LYS 804 Cb 0.34 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2fsh h LYS 804 CO 0.00 0.82 -0.01 0.00 -0.57 0.00 0.00 179.45 179.70 2fsh h ARG 805 N 1.06 -0.02 -0.46 3.15 3.08 -0.87 -1.88 114.38 118.44 2fsh h ARG 805 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 2fsh h ARG 805 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2fsh h ARG 805 CO -0.03 0.27 -0.04 0.93 -1.07 0.00 0.00 179.97 180.03 2fsh h GLU 806 N -0.32 0.78 -0.27 0.04 5.08 -1.02 -1.11 114.58 117.74 2fsh h GLU 806 Ca -0.00 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2fsh h GLU 806 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2fsh h GLU 806 CO 0.00 0.81 0.07 1.03 -1.00 0.00 0.00 179.01 179.92 2fsh h SER 807 N 0.72 0.42 0.26 1.42 0.87 -0.69 -1.54 113.55 115.00 2fsh h SER 807 Ca 0.13 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 2fsh h SER 807 Cb 0.49 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2fsh h SER 807 CO 0.03 0.54 -0.54 -0.26 -0.53 0.00 0.00 176.83 176.06 2fsh h PHE 808 N 0.28 0.38 -0.56 2.24 0.04 -1.24 0.13 116.94 118.20 2fsh h PHE 808 Ca 0.09 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2fsh h PHE 808 Cb 0.28 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 2fsh h PHE 808 CO 0.01 0.78 0.36 1.03 -0.60 0.00 0.00 178.31 179.90 2fsh h SER 809 N 0.24 0.66 -0.02 2.17 0.87 -1.09 -0.56 113.55 115.82 2fsh h SER 809 Ca 0.00 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 2fsh h SER 809 Cb 1.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2fsh h SER 809 CO 0.09 0.50 -0.44 0.24 -0.53 0.00 0.00 176.83 176.69 2fsh h MET 810 N 0.76 0.55 -0.29 2.24 2.86 -0.89 -1.51 114.93 118.65 2fsh h MET 810 Ca 0.20 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2fsh h MET 810 Cb -0.06 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2fsh h MET 810 CO -0.04 0.89 0.13 0.35 1.06 0.00 0.00 176.91 179.29 2fsh h PHE 811 N 0.45 0.23 -0.50 -0.22 3.57 -0.37 0.59 116.94 120.69 2fsh h PHE 811 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2fsh h PHE 811 Cb 0.95 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2fsh h PHE 811 CO 0.04 0.12 0.29 0.00 -2.23 0.00 0.00 178.31 176.53 2fsh h ALA 812 N 1.16 0.64 -0.44 2.41 0.00 -1.01 -1.15 119.26 120.86 2fsh h ALA 812 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2fsh h ALA 812 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2fsh h ALA 812 CO -0.10 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.55 2fsh h ALA 813 N 1.13 0.56 -0.78 0.00 0.00 -1.01 -2.69 119.26 116.47 2fsh h ALA 813 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2fsh h ALA 813 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2fsh h ALA 813 CO -0.03 -0.06 0.44 1.98 0.00 0.00 0.00 179.25 181.58 2fsh h MET 814 N 0.53 1.07 -0.75 0.00 -1.53 -0.27 -1.87 114.93 112.10 2fsh h MET 814 Ca 0.18 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.33 2fsh h MET 814 Cb 0.01 -0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 30.81 2fsh h MET 814 CO -0.08 0.77 0.48 -0.07 0.14 0.00 0.00 176.91 178.15 2fsh h LEU 815 N 1.08 0.88 -0.17 3.39 3.38 -0.91 0.11 115.31 123.07 2fsh h LEU 815 Ca 0.28 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 2fsh h LEU 815 Cb 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.54 2fsh h LEU 815 CO -0.05 0.66 -0.89 -0.33 0.09 0.00 0.00 178.44 177.92 2fsh h GLU 816 N 1.03 0.58 0.00 1.13 4.39 -1.30 -3.12 114.58 117.29 2fsh h GLU 816 Ca 0.27 -0.55 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 2fsh h GLU 816 Cb -0.08 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2fsh h GLU 816 CO -0.06 1.17 -0.36 1.03 -1.16 0.00 0.00 179.01 179.64 2fsh h SER 817 N 0.36 0.00 -0.80 1.42 0.87 -1.24 -1.94 113.55 112.22 2fsh h SER 817 Ca -0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2fsh h SER 817 Cb 1.51 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 2fsh h SER 817 CO 0.17 0.36 0.32 0.25 -0.53 0.00 0.00 176.83 177.39 2fsh h LEU 818 N 0.00 1.10 0.17 2.23 5.85 -0.74 -0.43 115.31 123.49 2fsh h LEU 818 Ca -0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2fsh h LEU 818 Cb 0.64 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2fsh h LEU 818 CO 0.05 0.97 -0.08 0.11 -0.34 0.00 0.00 178.44 179.15 2fsh h LYS 819 N 1.16 -0.22 -0.01 1.25 1.57 -1.38 -2.61 116.57 116.33 2fsh h LYS 819 Ca 0.27 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2fsh h LYS 819 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2fsh h LYS 819 CO -0.02 0.05 -0.16 -0.92 -0.57 0.00 0.00 179.45 177.83 2fsh h TYR 820 N -0.48 -0.41 -0.87 -1.35 5.03 -1.19 -2.51 116.97 115.19 2fsh h TYR 820 Ca -0.02 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2fsh h TYR 820 Cb 0.37 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.79 2fsh h TYR 820 CO 0.01 -0.23 0.57 0.93 -1.32 0.00 0.00 178.16 178.12 2fsh h GLU 821 N -0.26 1.16 -0.02 1.82 4.39 -1.07 -0.12 114.58 120.47 2fsh h GLU 821 Ca 0.05 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2fsh h GLU 821 Cb 0.33 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2fsh h GLU 821 CO -0.16 0.77 -0.03 0.28 -1.16 0.00 0.00 179.01 178.71 2fsh h VAL 822 N 1.19 0.92 -0.38 3.13 2.07 -1.30 0.42 116.25 122.28 2fsh h VAL 822 Ca 0.32 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.70 2fsh h VAL 822 Cb -0.13 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2fsh h VAL 822 CO -0.07 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.61 2fsh h ILE 823 N -0.04 1.28 -0.48 4.57 1.08 -1.21 0.40 117.51 123.11 2fsh h ILE 823 Ca 0.02 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.01 2fsh h ILE 823 Cb 0.07 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2fsh h ILE 823 CO -0.05 0.49 0.26 -1.28 -0.69 0.00 0.00 178.15 176.88 2fsh h SER 824 N 0.72 0.60 -0.58 1.72 0.87 -0.85 -0.16 113.55 115.86 2fsh h SER 824 Ca 0.08 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2fsh h SER 824 Cb 0.87 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2fsh h SER 824 CO 0.08 0.52 0.33 0.74 -0.53 0.00 0.00 176.83 177.97 2fsh h THR 825 N 0.63 1.19 0.00 2.23 2.02 0.16 -2.05 112.91 117.08 2fsh h THR 825 Ca 0.17 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2fsh h THR 825 Cb 0.06 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2fsh h THR 825 CO -0.03 0.20 -0.14 -0.07 0.37 0.00 0.00 175.52 175.86 2fsh h LEU 826 N 0.79 0.00 0.19 2.58 3.38 -0.14 -1.78 115.31 120.33 2fsh h LEU 826 Ca 0.21 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.85 2fsh h LEU 826 Cb 0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 2fsh h LEU 826 CO -0.03 0.14 -1.52 0.28 0.09 0.00 0.00 178.44 177.39 2fsh h SER 827 N 0.00 0.64 0.39 -0.43 0.02 -0.78 -3.35 113.55 110.04 2fsh h SER 827 Ca -0.00 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2fsh h SER 827 Cb 0.74 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2fsh h SER 827 CO 0.02 1.62 -0.75 0.29 -1.14 0.00 0.00 176.83 176.87 2fsh n LYS 828 N -3.60 0.09 -1.66 3.45 5.02 -0.79 -4.62 118.16 116.04 2fsh n LYS 828 Ca -0.17 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.67 2fsh n LYS 828 Cb 1.07 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 2fsh n LYS 828 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2fsh n VAL 829 N -1.65 1.23 -3.31 -0.18 3.14 -0.68 -4.95 118.33 111.93 2fsh n VAL 829 Ca 0.04 -0.31 -0.38 0.00 -2.96 0.00 0.00 64.34 60.73 2fsh n VAL 829 Cb 0.36 -1.38 -0.06 0.00 -1.06 0.00 0.00 33.84 31.70 2fsh n VAL 829 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2fsh s GLN 830 N -0.77 4.33 -0.05 1.45 -1.52 -1.26 -5.05 119.66 116.78 2fsh s GLN 830 Ca 0.65 0.44 0.01 0.00 -1.95 0.00 0.00 55.36 54.52 2fsh s GLN 830 Cb -0.66 -3.45 0.02 0.00 -0.22 0.00 0.00 33.01 28.70 2fsh s GLN 830 CO 0.53 0.13 -0.05 0.14 -0.25 0.00 0.00 175.29 175.78 2fsh s VAL 831 N 0.73 0.64 -0.04 1.09 -7.23 -1.26 -5.13 120.40 109.20 2fsh s VAL 831 Ca 0.26 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 2fsh s VAL 831 Cb -0.15 -0.66 -0.06 0.00 0.56 0.00 0.00 36.38 36.07 2fsh s VAL 831 CO 0.10 0.25 1.74 0.00 -0.31 0.00 0.00 175.10 176.89 2fsh s ARG 832 N 1.01 4.14 0.00 4.82 1.70 -1.26 -5.04 118.95 124.32 2fsh s ARG 832 Ca -0.09 2.27 0.24 0.00 -0.47 0.00 0.00 55.73 57.67 2fsh s ARG 832 Cb -0.14 -4.04 1.41 0.00 -0.57 0.00 0.00 34.95 31.61 2fsh s ARG 832 CO -0.00 -0.92 1.77 -0.12 -1.08 0.00 0.00 175.30 174.96