#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9m n ASN 5 N 0.00 -0.56 0.04 -1.84 2.85 -1.26 -3.52 115.26 110.97 3f9m n ASN 5 Ca 0.00 0.01 0.21 0.00 -0.11 0.00 0.00 54.58 54.70 3f9m n ASN 5 Cb 0.00 -0.15 0.73 0.00 1.24 0.00 0.00 39.78 41.61 3f9m n ASN 5 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3f9m h LEU 6 N 0.78 0.00 -0.08 1.20 4.07 -2.05 0.94 115.31 120.18 3f9m h LEU 6 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3f9m h LEU 6 Cb 0.11 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3f9m h LEU 6 CO 0.01 0.00 0.03 0.22 -1.08 0.00 0.00 178.44 177.62 3f9m h TYR 7 N 0.00 0.13 -0.01 1.13 3.20 -2.00 -0.92 116.97 118.50 3f9m h TYR 7 Ca 0.23 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 3f9m h TYR 7 Cb 1.18 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3f9m h TYR 7 CO 0.00 0.27 -0.38 0.74 -1.64 0.00 0.00 178.16 177.15 3f9m h PHE 8 N -0.06 0.02 -0.47 -3.82 0.05 0.68 -0.72 116.94 112.63 3f9m h PHE 8 Ca 0.03 -0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.70 3f9m h PHE 8 Cb 0.20 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.13 3f9m h PHE 8 CO -0.01 0.40 -0.12 1.96 -0.18 0.00 0.00 178.31 180.36 3f9m h GLN 9 N 0.02 0.92 -0.74 1.51 1.08 -1.25 -1.89 115.11 114.75 3f9m h GLN 9 Ca -0.00 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 3f9m h GLN 9 Cb 0.68 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 3f9m h GLN 9 CO 0.05 1.01 0.33 0.78 -0.95 0.00 0.00 178.83 180.06 3f9m h GLY 10 N 0.76 1.16 0.95 3.46 0.00 -0.80 -1.30 103.07 107.31 3f9m h GLY 10 Ca 0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3f9m h GLY 10 CO 0.05 0.56 0.12 -0.33 0.00 0.00 0.00 176.54 176.94 3f9m h MET 11 N 1.05 0.70 -0.60 4.80 2.86 -1.04 -0.10 114.93 122.60 3f9m h MET 11 Ca 0.25 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3f9m h MET 11 Cb 0.15 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 3f9m h MET 11 CO -0.03 0.70 0.35 0.87 1.06 0.00 0.00 176.91 179.86 3f9m h LYS 12 N 0.58 0.66 -0.54 1.72 1.57 -1.16 -1.76 116.57 117.64 3f9m h LYS 12 Ca 0.14 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3f9m h LYS 12 Cb 0.30 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3f9m h LYS 12 CO -0.00 0.44 0.11 0.87 -0.57 0.00 0.00 179.45 180.30 3f9m h LYS 13 N 0.68 0.83 -0.53 3.15 1.57 -0.81 -0.85 116.57 120.61 3f9m h LYS 13 Ca 0.25 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3f9m h LYS 13 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3f9m h LYS 13 CO -0.13 0.76 0.35 0.93 -0.57 0.00 0.00 179.45 180.80 3f9m h GLU 14 N 0.80 0.70 -0.64 3.15 5.08 -0.59 -0.18 114.58 122.89 3f9m h GLU 14 Ca 0.17 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3f9m h GLU 14 Cb 0.32 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3f9m h GLU 14 CO 0.00 0.46 0.07 0.87 -1.00 0.00 0.00 179.01 179.41 3f9m h LYS 15 N 0.72 1.08 -0.36 2.33 1.57 -1.01 -1.35 116.57 119.55 3f9m h LYS 15 Ca 0.20 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3f9m h LYS 15 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3f9m h LYS 15 CO -0.04 1.02 0.23 0.28 -0.57 0.00 0.00 179.45 180.36 3f9m h VAL 16 N 0.99 1.08 -0.60 0.50 2.07 -0.93 -1.88 116.25 117.48 3f9m h VAL 16 Ca 0.19 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3f9m h VAL 16 Cb 0.48 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3f9m h VAL 16 CO 0.02 0.09 0.37 -0.33 0.02 0.00 0.00 177.57 177.73 3f9m h GLU 17 N 0.47 0.80 -0.54 1.57 4.39 -0.63 0.19 114.58 120.83 3f9m h GLU 17 Ca 0.13 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3f9m h GLU 17 Cb -0.04 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 3f9m h GLU 17 CO -0.04 0.56 0.06 1.96 -1.16 0.00 0.00 179.01 180.39 3f9m h GLN 18 N 0.82 0.89 -0.21 2.33 4.20 -0.75 0.16 115.11 122.55 3f9m h GLN 18 Ca 0.22 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 3f9m h GLN 18 Cb -0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3f9m h GLN 18 CO -0.04 0.85 -0.48 0.82 -0.67 0.00 0.00 178.83 179.31 3f9m h ILE 19 N 0.83 1.31 0.00 2.54 2.04 -0.54 -3.26 117.51 120.44 3f9m h ILE 19 Ca 0.17 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 3f9m h ILE 19 Cb 0.42 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3f9m h ILE 19 CO 0.01 0.53 -0.07 -0.07 0.00 0.00 0.00 178.15 178.56 3f9m h LEU 20 N 0.40 0.00 -2.03 1.44 3.38 -0.38 -2.93 115.31 115.18 3f9m h LEU 20 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3f9m h LEU 20 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3f9m h LEU 20 CO 0.11 0.07 0.37 0.00 0.09 0.00 0.00 178.44 179.08 3f9m h ALA 21 N 1.93 2.34 -0.24 1.53 0.00 -1.00 -1.12 119.26 122.69 3f9m h ALA 21 Ca -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3f9m h ALA 21 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3f9m h ALA 21 CO 0.01 -0.61 0.27 1.49 0.00 0.00 0.00 179.25 180.41 3f9m h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.69 -1.28 114.58 116.41 3f9m h GLU 22 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3f9m h GLU 22 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3f9m h GLU 22 CO -0.00 0.00 -0.07 1.19 -0.73 0.00 0.00 179.01 179.40 3f9m n PHE 23 N -3.76 0.57 -2.00 0.92 3.01 -0.42 -4.88 117.46 110.91 3f9m n PHE 23 Ca 0.03 0.17 -0.41 0.00 1.01 0.00 0.00 57.45 58.25 3f9m n PHE 23 Cb 0.41 -0.76 -0.01 0.00 -0.01 0.00 0.00 39.48 39.11 3f9m n PHE 23 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3f9m s GLN 24 N -3.07 4.26 -0.13 -1.08 -0.21 -0.49 -4.66 119.66 114.29 3f9m s GLN 24 Ca 0.11 2.35 0.01 0.00 0.02 0.00 0.00 55.36 57.86 3f9m s GLN 24 Cb 0.15 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 31.15 3f9m s GLN 24 CO 0.59 -0.32 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.77 3f9m s LEU 25 N -1.92 1.74 0.75 2.90 1.43 -1.26 -5.12 118.68 117.21 3f9m s LEU 25 Ca 0.50 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3f9m s LEU 25 Cb -0.42 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.67 3f9m s LEU 25 CO 0.57 -0.01 1.08 -1.10 0.23 0.00 0.00 176.35 177.11 3f9m s GLN 26 N 1.20 2.46 0.28 1.70 -1.52 -1.26 -4.85 119.66 117.67 3f9m s GLN 26 Ca -0.01 0.91 0.00 0.00 -1.95 0.00 0.00 55.36 54.31 3f9m s GLN 26 Cb -0.14 -1.94 0.51 0.00 -0.22 0.00 0.00 33.01 31.22 3f9m s GLN 26 CO -0.06 -1.42 1.86 0.93 -0.25 0.00 0.00 175.29 176.35 3f9m h GLU 27 N -0.95 1.02 -0.48 2.91 5.08 -2.00 -1.46 114.58 118.70 3f9m h GLU 27 Ca -0.45 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 3f9m h GLU 27 Cb 1.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3f9m h GLU 27 CO 0.56 0.68 -0.00 1.49 -1.00 0.00 0.00 179.01 180.73 3f9m h GLU 28 N 1.05 0.80 -0.43 2.33 4.57 -1.99 0.48 114.58 121.38 3f9m h GLU 28 Ca 0.47 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 3f9m h GLU 28 Cb 0.37 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3f9m h GLU 28 CO -0.22 0.81 0.25 -0.44 -1.18 0.00 0.00 179.01 178.22 3f9m h ASP 29 N 0.74 0.39 -0.48 1.04 3.32 -1.65 -0.56 116.42 119.22 3f9m h ASP 29 Ca 0.14 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3f9m h ASP 29 Cb 0.46 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3f9m h ASP 29 CO 0.02 0.28 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.71 3f9m h LEU 30 N 0.50 0.91 -0.92 1.55 3.38 -0.84 -0.37 115.31 119.52 3f9m h LEU 30 Ca 0.18 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3f9m h LEU 30 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3f9m h LEU 30 CO -0.09 0.99 0.19 0.11 0.09 0.00 0.00 178.44 179.72 3f9m h LYS 31 N 0.85 0.98 -0.15 1.13 1.57 -0.62 0.24 116.57 120.57 3f9m h LYS 31 Ca 0.15 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3f9m h LYS 31 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3f9m h LYS 31 CO 0.03 0.85 0.07 -0.22 -0.57 0.00 0.00 179.45 179.61 3f9m h LYS 32 N 0.94 0.21 -0.58 3.15 3.64 -0.71 0.81 116.57 124.03 3f9m h LYS 32 Ca 0.21 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3f9m h LYS 32 Cb 0.29 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3f9m h LYS 32 CO -0.01 0.26 0.35 0.28 -2.27 0.00 0.00 179.45 178.07 3f9m h VAL 33 N 0.11 1.05 -0.35 2.00 2.07 -0.78 0.33 116.25 120.68 3f9m h VAL 33 Ca 0.05 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3f9m h VAL 33 Cb 0.12 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3f9m h VAL 33 CO -0.01 0.12 0.20 -0.03 0.02 0.00 0.00 177.57 177.88 3f9m h MET 34 N 0.68 0.40 -0.69 1.57 1.85 -0.18 0.13 114.93 118.70 3f9m h MET 34 Ca 0.24 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.27 3f9m h MET 34 Cb 0.04 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 31.95 3f9m h MET 34 CO -0.11 0.27 0.29 0.00 -0.40 0.00 0.00 176.91 176.95 3f9m h ARG 35 N 0.41 1.03 -0.63 0.39 3.08 -0.43 0.38 114.38 118.61 3f9m h ARG 35 Ca 0.14 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3f9m h ARG 35 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3f9m h ARG 35 CO -0.07 0.84 0.09 0.00 -1.07 0.00 0.00 179.97 179.76 3f9m h ARG 36 N 0.98 1.04 -0.49 0.04 3.08 -0.48 0.34 114.38 118.90 3f9m h ARG 36 Ca 0.23 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3f9m h ARG 36 Cb 0.19 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3f9m h ARG 36 CO -0.02 0.96 0.25 1.98 -1.07 0.00 0.00 179.97 182.07 3f9m h MET 37 N 0.97 0.69 -0.64 0.04 4.05 -0.31 -0.01 114.93 119.71 3f9m h MET 37 Ca 0.19 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 3f9m h MET 37 Cb 0.44 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 3f9m h MET 37 CO 0.01 0.56 0.11 1.96 0.23 0.00 0.00 176.91 179.79 3f9m h GLN 38 N 0.64 1.05 -0.64 0.39 4.20 -0.57 0.13 115.11 120.32 3f9m h GLN 38 Ca 0.17 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3f9m h GLN 38 Cb 0.08 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3f9m h GLN 38 CO -0.02 0.95 0.40 -0.22 -0.67 0.00 0.00 178.83 179.27 3f9m h LYS 39 N 0.99 0.85 -0.06 1.46 3.64 -0.55 -0.66 116.57 122.24 3f9m h LYS 39 Ca 0.20 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3f9m h LYS 39 Cb 0.41 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3f9m h LYS 39 CO 0.01 0.60 -0.49 0.93 -2.27 0.00 0.00 179.45 178.22 3f9m h GLU 40 N 0.86 0.16 -0.45 1.90 4.39 -0.11 -2.08 114.58 119.25 3f9m h GLU 40 Ca 0.23 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3f9m h GLU 40 Cb -0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3f9m h GLU 40 CO -0.05 0.62 0.05 0.52 -1.16 0.00 0.00 179.01 178.99 3f9m h MET 41 N 0.13 0.76 -0.35 2.33 2.86 -0.39 0.44 114.93 120.70 3f9m h MET 41 Ca 0.00 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3f9m h MET 41 Cb 0.92 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 3f9m h MET 41 CO 0.07 0.79 0.09 -0.44 1.06 0.00 0.00 176.91 178.48 3f9m h ASP 42 N 0.61 0.06 -0.79 1.22 3.32 -0.93 -2.56 116.42 117.36 3f9m h ASP 42 Ca 0.13 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3f9m h ASP 42 Cb 0.41 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3f9m h ASP 42 CO 0.01 0.07 0.45 0.03 -1.72 0.00 0.00 179.24 178.09 3f9m h ARG 43 N 0.22 1.08 0.00 3.56 3.08 -0.99 -2.71 114.38 118.63 3f9m h ARG 43 Ca 0.16 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3f9m h ARG 43 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3f9m h ARG 43 CO -0.20 0.78 -0.23 0.78 -1.07 0.00 0.00 179.97 180.04 3f9m h GLY 44 N 1.08 0.00 1.83 0.04 0.00 -0.54 -2.86 103.07 102.61 3f9m h GLY 44 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3f9m h GLY 44 CO -0.05 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.74 3f9m h LEU 45 N 0.00 0.00 -9.58 3.11 3.38 -1.14 -3.42 115.31 107.67 3f9m h LEU 45 Ca -0.00 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 3f9m h LEU 45 Cb 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3f9m h LEU 45 CO 0.03 0.01 -0.12 -0.13 0.09 0.00 0.00 178.44 178.32 3f9m s ARG 46 N -3.20 4.14 0.24 1.13 0.52 -1.09 -2.60 118.95 118.09 3f9m s ARG 46 Ca 0.07 0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 55.77 3f9m s ARG 46 Cb 0.08 -3.29 0.35 0.00 0.52 0.00 0.00 34.95 32.60 3f9m s ARG 46 CO 0.67 0.51 1.84 1.25 0.02 0.00 0.00 175.30 179.59 3f9m h LEU 47 N 5.26 0.80 -1.17 2.53 5.85 -1.87 0.74 115.31 127.45 3f9m h LEU 47 Ca -0.48 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 3f9m h LEU 47 Cb 1.21 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3f9m h LEU 47 CO 0.66 0.50 -0.19 -0.08 -0.34 0.00 0.00 178.44 179.00 3f9m h GLU 48 N 0.93 0.35 -0.01 1.25 4.81 -1.93 -3.26 114.58 116.72 3f9m h GLU 48 Ca 0.38 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3f9m h GLU 48 Cb 0.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3f9m h GLU 48 CO -0.19 0.53 -0.02 0.25 -0.73 0.00 0.00 179.01 178.85 3f9m n THR 49 N -4.19 0.00 -0.24 0.32 -2.24 -0.98 -4.73 114.28 102.22 3f9m n THR 49 Ca -0.00 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 3f9m n THR 49 Cb 0.34 1.12 0.08 0.00 -2.10 0.00 0.00 70.33 69.77 3f9m n THR 49 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3f9m h HIS 50 N 1.14 0.77 -0.06 4.78 -0.00 -0.72 -0.93 115.15 120.14 3f9m h HIS 50 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.32 3f9m h HIS 50 Cb 0.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3f9m h HIS 50 CO 0.00 0.42 -0.31 0.93 -0.00 0.00 0.00 177.93 178.97 3f9m h GLU 51 N 0.80 0.10 0.00 5.26 4.39 -1.85 -2.80 114.58 120.49 3f9m h GLU 51 Ca 0.28 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3f9m h GLU 51 Cb 0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3f9m h GLU 51 CO -0.13 0.41 -0.75 1.05 -1.16 0.00 0.00 179.01 178.43 3f9m h GLU 52 N 0.09 0.00 -6.67 2.33 4.11 -1.75 -3.47 114.58 109.23 3f9m h GLU 52 Ca 0.01 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.92 3f9m h GLU 52 Cb 0.61 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.91 3f9m h GLU 52 CO 0.04 0.00 0.94 0.00 0.07 0.00 0.00 179.01 180.07 3f9m s ALA 53 N -3.27 3.85 0.27 1.06 0.00 -0.41 -4.91 121.76 118.35 3f9m s ALA 53 Ca 0.03 1.51 0.13 0.00 0.00 0.00 0.00 51.96 53.63 3f9m s ALA 53 Cb 0.11 -3.66 0.51 0.00 0.00 0.00 0.00 23.12 20.07 3f9m s ALA 53 CO 0.75 -0.88 1.68 0.66 0.00 0.00 0.00 175.76 177.97 3f9m h SER 54 N 6.41 0.00 -3.56 0.00 4.64 -1.88 -3.40 113.55 115.76 3f9m h SER 54 Ca -0.44 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.18 3f9m h SER 54 Cb 1.21 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.03 3f9m h SER 54 CO 0.91 0.52 -0.52 -0.69 -0.87 0.00 0.00 176.83 176.18 3f9m s VAL 55 N -3.73 4.26 -0.18 0.95 1.01 -1.26 -4.24 120.40 117.21 3f9m s VAL 55 Ca -0.01 -1.12 0.23 0.00 0.00 0.00 0.00 61.98 61.09 3f9m s VAL 55 Cb 0.13 -3.47 0.27 0.00 0.00 0.00 0.00 36.38 33.31 3f9m s VAL 55 CO 0.74 -0.32 1.68 0.11 0.00 0.00 0.00 175.10 177.31 3f9m h LYS 56 N 8.37 0.00 -6.24 2.72 1.79 -1.70 -3.32 116.57 118.19 3f9m h LYS 56 Ca -0.24 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.79 3f9m h LYS 56 Cb 1.09 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.80 3f9m h LYS 56 CO 0.68 0.15 -0.91 -1.33 -1.08 0.00 0.00 179.45 176.96 3f9m n MET 57 N -3.18 -2.13 -2.56 3.15 2.81 -0.75 -4.63 117.12 109.83 3f9m n MET 57 Ca 0.02 0.48 -0.43 0.00 -1.81 0.00 0.00 57.70 55.96 3f9m n MET 57 Cb 0.52 -4.38 -0.02 0.00 -0.71 0.00 0.00 33.22 28.62 3f9m n MET 57 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3f9m s LEU 58 N -6.57 4.23 0.28 4.03 1.43 0.12 -4.72 118.68 117.48 3f9m s LEU 58 Ca 0.32 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 3f9m s LEU 58 Cb -0.11 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 3f9m s LEU 58 CO 0.86 -0.57 1.49 -2.84 0.23 0.00 0.00 176.35 175.52 3f9m s PRO 59 N 2.42 4.21 0.00 1.29 0.02 -1.26 -0.53 135.00 141.14 3f9m s PRO 59 Ca 0.51 2.42 0.22 0.00 0.02 0.00 0.00 61.00 64.17 3f9m s PRO 59 Cb -0.21 -3.06 -0.17 0.00 0.02 0.00 0.00 34.50 31.09 3f9m s PRO 59 CO 0.18 -0.49 0.88 0.25 -0.33 0.00 0.00 177.00 177.49 3f9m n THR 60 N 1.97 0.02 -1.25 0.99 -2.24 -0.70 -4.28 114.28 108.78 3f9m n THR 60 Ca 0.06 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 3f9m n THR 60 Cb 0.39 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3f9m n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3f9m n TYR 61 N -1.67 0.00 -3.10 4.78 4.01 -1.26 -4.54 117.16 115.38 3f9m n TYR 61 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3f9m n TYR 61 Cb 0.38 -2.28 -0.06 0.00 -0.31 0.00 0.00 39.34 37.07 3f9m n TYR 61 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3f9m s VAL 62 N -1.93 4.80 0.11 -0.72 1.01 -1.26 -4.62 120.40 117.78 3f9m s VAL 62 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3f9m s VAL 62 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3f9m s VAL 62 CO 0.00 -0.74 0.23 -0.13 0.00 0.00 0.00 175.10 174.45 3f9m s ARG 63 N 2.86 3.36 0.50 2.72 0.52 -1.26 -0.66 118.95 126.98 3f9m s ARG 63 Ca 0.20 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.64 3f9m s ARG 63 Cb -0.16 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 3f9m s ARG 63 CO 0.16 0.56 1.16 -1.54 0.02 0.00 0.00 175.30 175.66 3f9m s SER 64 N -2.85 5.94 0.00 0.23 1.04 -0.60 -4.53 113.70 112.93 3f9m s SER 64 Ca 0.34 2.27 0.00 0.00 0.48 0.00 0.00 55.95 59.04 3f9m s SER 64 Cb -0.12 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3f9m s SER 64 CO 0.27 -1.07 0.00 0.41 0.98 0.00 0.00 173.24 173.83 3f9m n THR 65 N -0.84 0.00 0.00 2.02 -1.04 -1.26 -4.78 114.28 108.38 3f9m n THR 65 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3f9m n THR 65 Cb 0.49 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3f9m n THR 65 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3f9m n PRO 66 N -1.69 0.00 -3.16 -2.82 -0.04 -1.26 -5.14 135.00 120.89 3f9m n PRO 66 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 3f9m n PRO 66 Cb 0.30 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 3f9m n PRO 66 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3f9m s GLU 67 N 0.14 0.01 0.00 0.54 -6.30 -1.26 -5.14 118.70 106.68 3f9m s GLU 67 Ca 0.00 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.50 3f9m s GLU 67 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 34.13 34.14 3f9m s GLU 67 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3f9m n GLY 68 N 4.86 -2.68 3.67 -1.50 0.00 -1.26 -5.07 105.19 103.21 3f9m n GLY 68 Ca -0.07 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 3f9m n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f9m s SER 69 N 0.00 5.11 0.70 1.61 0.15 -1.26 -4.70 113.70 115.31 3f9m s SER 69 Ca 0.00 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.56 3f9m s SER 69 Cb 0.00 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 62.97 3f9m s SER 69 CO 0.00 0.32 1.10 -0.70 1.20 0.00 0.00 173.24 175.16 3f9m s GLU 70 N -1.28 2.64 0.30 5.44 2.56 0.12 -4.97 118.70 123.51 3f9m s GLU 70 Ca 0.17 1.27 0.11 0.00 0.00 0.00 0.00 54.97 56.52 3f9m s GLU 70 Cb -0.11 -1.94 -0.06 0.00 2.00 0.00 0.00 34.13 34.02 3f9m s GLU 70 CO 0.07 -1.36 -0.16 0.14 -0.56 0.00 0.00 175.26 173.39 3f9m s VAL 71 N -2.59 2.35 -1.28 3.70 -7.23 -1.26 -4.79 120.40 109.30 3f9m s VAL 71 Ca 0.64 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3f9m s VAL 71 Cb -0.19 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3f9m s VAL 71 CO 0.47 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3f9m n GLY 72 N -0.67 0.49 3.78 2.32 0.00 -0.25 -4.97 105.19 105.89 3f9m n GLY 72 Ca -0.05 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3f9m n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f9m s ASP 73 N -4.00 6.53 0.01 1.61 1.01 -1.26 -0.80 116.67 119.77 3f9m s ASP 73 Ca 0.00 0.63 0.06 0.00 0.71 0.00 0.00 52.55 53.94 3f9m s ASP 73 Cb 0.00 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3f9m s ASP 73 CO 0.00 0.21 -0.17 -0.36 0.21 0.00 0.00 175.17 175.06 3f9m s PHE 74 N -0.20 1.51 -0.18 4.23 0.40 -0.13 -4.28 117.98 119.34 3f9m s PHE 74 Ca 0.18 -0.32 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 3f9m s PHE 74 Cb -0.14 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 3f9m s PHE 74 CO 0.06 0.02 0.15 -1.17 0.70 0.00 0.00 175.22 174.99 3f9m s LEU 75 N -0.77 4.26 -0.08 -0.37 2.96 -0.58 -0.87 118.68 123.23 3f9m s LEU 75 Ca 0.06 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3f9m s LEU 75 Cb -0.07 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3f9m s LEU 75 CO 0.00 0.23 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.61 3f9m s SER 76 N 0.03 3.39 0.12 3.68 0.01 0.83 -0.96 113.70 120.80 3f9m s SER 76 Ca 0.11 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.98 3f9m s SER 76 Cb -0.11 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 3f9m s SER 76 CO 0.00 0.22 -0.05 -0.76 0.41 0.00 0.00 173.24 173.06 3f9m s LEU 77 N 0.02 3.22 -0.09 2.44 1.43 0.16 -0.62 118.68 125.23 3f9m s LEU 77 Ca -0.08 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3f9m s LEU 77 Cb -0.15 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.15 3f9m s LEU 77 CO 0.05 0.16 0.07 -0.62 0.23 0.00 0.00 176.35 176.24 3f9m s ASP 78 N -2.40 1.65 -0.12 2.29 -1.08 0.43 0.18 116.67 117.63 3f9m s ASP 78 Ca 0.24 -0.21 0.02 0.00 -0.52 0.00 0.00 52.55 52.08 3f9m s ASP 78 Cb -0.11 -0.19 0.01 0.00 -1.46 0.00 0.00 42.92 41.17 3f9m s ASP 78 CO 0.16 -0.29 -0.19 -0.22 0.52 0.00 0.00 175.17 175.15 3f9m s LEU 79 N 2.15 1.91 0.00 -1.34 2.96 -0.11 -1.42 118.68 122.84 3f9m s LEU 79 Ca 0.04 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3f9m s LEU 79 Cb -0.14 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.29 3f9m s LEU 79 CO -0.06 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 3f9m n GLY 80 N 4.08 0.00 0.00 7.98 0.00 -1.26 -0.98 105.19 115.01 3f9m n GLY 80 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3f9m n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9m n GLY 81 N 0.00 5.18 0.21 -0.02 0.00 -1.26 -4.91 105.19 104.38 3f9m n GLY 81 Ca 0.00 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.64 3f9m n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f9m h THR 82 N 0.19 0.00 -3.51 2.61 1.35 -1.96 -3.43 112.91 108.17 3f9m h THR 82 Ca 0.00 -0.54 -0.68 0.00 -0.55 0.00 0.00 66.41 64.65 3f9m h THR 82 Cb 0.00 1.47 -0.18 0.00 -1.73 0.00 0.00 68.15 67.71 3f9m h THR 82 CO 0.00 0.00 -0.66 0.20 -0.25 0.00 0.00 175.52 174.81 3f9m s ASN 83 N -5.28 4.88 -0.19 5.36 0.01 -1.26 -1.27 114.94 117.20 3f9m s ASN 83 Ca 0.04 0.03 -0.08 0.00 -0.71 0.00 0.00 52.86 52.14 3f9m s ASN 83 Cb 0.09 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.37 3f9m s ASN 83 CO 0.54 0.35 0.08 0.12 -1.51 0.00 0.00 177.10 176.68 3f9m s PHE 84 N -0.74 3.30 -0.05 2.20 2.19 0.11 -4.47 117.98 120.53 3f9m s PHE 84 Ca 0.11 0.16 0.06 0.00 0.33 0.00 0.00 56.93 57.59 3f9m s PHE 84 Cb -0.11 -2.10 -0.02 0.00 -1.31 0.00 0.00 43.02 39.47 3f9m s PHE 84 CO 0.02 0.20 -0.23 1.03 1.83 0.00 0.00 175.22 178.07 3f9m s ARG 85 N 0.36 2.43 -0.04 10.12 0.52 -0.50 0.05 118.95 131.90 3f9m s ARG 85 Ca 0.05 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.45 3f9m s ARG 85 Cb -0.12 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 3f9m s ARG 85 CO -0.01 0.48 -0.22 0.08 0.02 0.00 0.00 175.30 175.65 3f9m s VAL 86 N -0.40 1.79 -0.03 3.52 1.01 0.58 -0.42 120.40 126.44 3f9m s VAL 86 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3f9m s VAL 86 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3f9m s VAL 86 CO 0.02 0.51 0.09 -0.32 0.00 0.00 0.00 175.10 175.39 3f9m s MET 87 N -0.25 0.09 -0.24 2.72 0.00 0.21 -0.72 119.30 121.10 3f9m s MET 87 Ca 0.01 0.15 -0.11 0.00 0.00 0.00 0.00 55.69 55.74 3f9m s MET 87 Cb -0.11 0.01 -0.05 0.00 0.00 0.00 0.00 34.83 34.68 3f9m s MET 87 CO 0.02 -0.04 0.18 -1.17 0.00 0.00 0.00 175.02 174.01 3f9m s LEU 88 N 0.21 4.11 -0.03 4.11 2.96 0.74 -0.12 118.68 130.66 3f9m s LEU 88 Ca -0.01 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3f9m s LEU 88 Cb -0.02 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3f9m s LEU 88 CO -0.01 0.04 -0.17 0.68 -1.32 0.00 0.00 176.35 175.57 3f9m s VAL 89 N 1.16 1.38 -0.15 1.68 -7.23 -0.05 -0.37 120.40 116.82 3f9m s VAL 89 Ca 0.08 -0.72 -0.17 0.00 -1.81 0.00 0.00 61.98 59.37 3f9m s VAL 89 Cb -0.14 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3f9m s VAL 89 CO 0.05 0.39 0.43 -0.75 -0.31 0.00 0.00 175.10 174.92 3f9m s LYS 90 N -0.18 4.28 -0.09 4.82 2.20 -0.26 -0.95 119.74 129.56 3f9m s LYS 90 Ca 0.02 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 3f9m s LYS 90 Cb -0.09 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3f9m s LYS 90 CO 0.01 0.11 -0.09 0.08 -0.36 0.00 0.00 175.35 175.09 3f9m s VAL 91 N 0.81 3.46 0.32 4.02 1.01 0.02 -1.14 120.40 128.90 3f9m s VAL 91 Ca 0.23 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 3f9m s VAL 91 Cb -0.15 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3f9m s VAL 91 CO 0.08 0.57 0.54 -0.83 0.00 0.00 0.00 175.10 175.46 3f9m s GLY 92 N -0.39 0.91 0.00 4.51 0.00 -0.74 -1.09 107.32 110.52 3f9m s GLY 92 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3f9m s GLY 92 CO 0.02 -0.72 0.00 -2.21 0.00 0.00 0.00 173.10 170.19 3f9m n GLU 93 N -0.49 0.00 -3.67 2.90 0.00 -1.26 -0.86 120.64 117.26 3f9m n GLU 93 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.96 3f9m n GLU 93 Cb 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.88 3f9m n GLU 93 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3f9m s GLN 98 N 0.00 -0.03 0.53 5.31 1.11 -1.26 -4.90 119.66 120.42 3f9m s GLN 98 Ca 0.00 0.46 -0.04 0.00 0.01 0.00 0.00 55.36 55.79 3f9m s GLN 98 Cb 0.00 -0.40 -0.00 0.00 -1.01 0.00 0.00 33.01 31.60 3f9m s GLN 98 CO 0.00 -0.32 0.82 1.67 0.01 0.00 0.00 175.29 177.47 3f9m s TRP 99 N 2.20 3.32 -0.09 0.91 1.48 -0.04 -4.86 118.94 121.85 3f9m s TRP 99 Ca 0.04 0.58 -0.07 0.00 -1.06 0.00 0.00 56.10 55.59 3f9m s TRP 99 Cb -0.12 -2.54 0.03 0.00 -1.16 0.00 0.00 33.47 29.68 3f9m s TRP 99 CO -0.04 -0.59 0.23 -1.54 -4.06 0.00 0.00 176.95 170.95 3f9m s SER 100 N -4.24 -0.24 -0.05 -2.66 1.04 -1.26 -1.79 113.70 104.50 3f9m s SER 100 Ca 0.51 0.48 0.01 0.00 0.48 0.00 0.00 55.95 57.43 3f9m s SER 100 Cb -0.10 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3f9m s SER 100 CO 0.43 -0.11 -0.05 0.54 0.98 0.00 0.00 173.24 175.02 3f9m s VAL 101 N 0.59 0.65 -0.05 5.02 0.11 -0.29 -4.98 120.40 121.44 3f9m s VAL 101 Ca -0.04 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 3f9m s VAL 101 Cb -0.05 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 3f9m s VAL 101 CO -0.03 0.26 1.68 -0.75 -3.33 0.00 0.00 175.10 172.92 3f9m s LYS 102 N 1.02 4.16 -0.22 1.54 2.36 -1.26 -1.10 119.74 126.24 3f9m s LYS 102 Ca -0.09 2.20 -0.06 0.00 -2.55 0.00 0.00 55.97 55.47 3f9m s LYS 102 Cb -0.14 -4.00 -0.12 0.00 -1.05 0.00 0.00 37.83 32.52 3f9m s LYS 102 CO -0.00 -0.88 -0.25 0.25 1.55 0.00 0.00 175.35 176.02 3f9m n THR 103 N 5.53 1.25 -4.05 3.43 -2.24 0.50 -4.96 114.28 113.74 3f9m n THR 103 Ca 0.18 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3f9m n THR 103 Cb 0.43 -1.56 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 3f9m n THR 103 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3f9m s LYS 104 N -2.42 0.50 -0.13 -0.78 3.01 -1.13 -4.99 119.74 113.80 3f9m s LYS 104 Ca -0.31 -0.90 -0.20 0.00 -1.01 0.00 0.00 55.97 53.55 3f9m s LYS 104 Cb 0.10 0.02 0.05 0.00 -1.01 0.00 0.00 37.83 36.99 3f9m s LYS 104 CO 0.45 -0.04 0.51 -3.38 0.51 0.00 0.00 175.35 173.39 3f9m s HIS 105 N -2.41 -0.52 -0.07 3.18 -3.43 -1.26 -0.18 115.29 110.60 3f9m s HIS 105 Ca -0.05 1.13 -0.09 0.00 -0.80 0.00 0.00 55.06 55.25 3f9m s HIS 105 Cb -0.03 0.22 0.02 0.00 -1.43 0.00 0.00 32.58 31.36 3f9m s HIS 105 CO -0.04 -0.36 0.25 -1.14 -2.00 0.00 0.00 174.74 171.45 3f9m s GLN 106 N -0.32 0.37 0.07 -0.38 0.74 0.10 -5.01 119.66 115.24 3f9m s GLN 106 Ca -0.05 0.18 0.08 0.00 0.05 0.00 0.00 55.36 55.62 3f9m s GLN 106 Cb -0.03 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 3f9m s GLN 106 CO 0.03 -0.07 -0.18 0.00 -0.55 0.00 0.00 175.29 174.53 3f9m s MET 107 N -0.27 1.97 -0.06 1.67 0.23 -1.26 -0.31 119.30 121.27 3f9m s MET 107 Ca -0.04 -1.05 0.02 0.00 -1.03 0.00 0.00 55.69 53.59 3f9m s MET 107 Cb -0.03 -2.16 0.01 0.00 -1.53 0.00 0.00 34.83 31.12 3f9m s MET 107 CO 0.01 0.52 -0.13 0.71 -2.03 0.00 0.00 175.02 174.10 3f9m s TYR 108 N -1.01 1.45 0.05 3.16 1.51 0.11 -4.95 117.35 117.67 3f9m s TYR 108 Ca 0.16 -0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 3f9m s TYR 108 Cb -0.11 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 3f9m s TYR 108 CO 0.07 -0.25 1.20 0.45 -1.11 0.00 0.00 175.55 175.91 3f9m s SER 109 N 0.56 7.08 -0.16 2.29 0.15 -1.26 0.09 113.70 122.45 3f9m s SER 109 Ca -0.13 1.99 -0.24 0.00 0.70 0.00 0.00 55.95 58.28 3f9m s SER 109 Cb -0.15 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3f9m s SER 109 CO 0.03 -0.48 0.77 -0.63 1.20 0.00 0.00 173.24 174.14 3f9m s ILE 110 N 1.16 4.93 0.53 6.45 1.01 -0.39 -4.91 121.20 129.98 3f9m s ILE 110 Ca 0.58 1.51 -0.22 0.00 0.00 0.00 0.00 60.65 62.52 3f9m s ILE 110 Cb -0.29 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3f9m s ILE 110 CO 0.29 0.07 1.33 -2.16 0.00 0.00 0.00 174.94 174.47 3f9m s PRO 111 N 1.93 3.25 0.23 2.79 0.04 -1.26 -4.88 135.00 137.10 3f9m s PRO 111 Ca 0.36 2.17 -0.06 0.00 0.04 0.00 0.00 61.00 63.51 3f9m s PRO 111 Cb -0.17 -2.29 0.32 0.00 0.04 0.00 0.00 34.50 32.40 3f9m s PRO 111 CO 0.13 -1.08 1.83 1.49 0.04 0.00 0.00 177.00 179.40 3f9m h GLU 112 N 1.57 0.83 -0.32 4.56 4.57 -1.99 -1.27 114.58 122.53 3f9m h GLU 112 Ca -0.51 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 57.72 3f9m h GLU 112 Cb 1.29 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3f9m h GLU 112 CO 0.58 0.55 0.33 0.38 -1.18 0.00 0.00 179.01 179.67 3f9m h ASP 113 N 0.86 0.00 0.57 1.04 2.03 -1.95 -2.03 116.42 116.94 3f9m h ASP 113 Ca 0.36 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.53 3f9m h ASP 113 Cb 0.21 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 3f9m h ASP 113 CO -0.19 0.00 -1.53 0.00 -1.03 0.00 0.00 179.24 176.49 3f9m n ALA 114 N -2.36 2.17 0.09 4.15 0.00 -0.50 -1.85 120.51 122.22 3f9m n ALA 114 Ca 0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 3f9m n ALA 114 Cb 0.49 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3f9m n ALA 114 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3f9m h MET 115 N 0.00 0.00 0.00 0.00 2.86 -1.19 -3.32 114.93 113.28 3f9m h MET 115 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3f9m h MET 115 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3f9m h MET 115 CO 0.03 0.53 -0.07 0.25 1.06 0.00 0.00 176.91 178.71 3f9m n THR 116 N -3.16 1.03 0.00 2.22 -2.24 -0.98 -0.51 114.28 110.64 3f9m n THR 116 Ca -0.02 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 3f9m n THR 116 Cb 0.81 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3f9m n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f9m n GLY 117 N -0.69 0.56 3.95 3.38 0.00 -0.77 -4.65 105.19 106.97 3f9m n GLY 117 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3f9m n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f9m s THR 118 N 2.99 5.25 0.43 2.61 -4.23 -1.26 -0.68 115.64 120.75 3f9m s THR 118 Ca 0.00 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 59.78 3f9m s THR 118 Cb 0.00 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.34 3f9m s THR 118 CO 0.00 -0.18 2.07 0.00 -0.54 0.00 0.00 174.62 175.97 3f9m h ALA 119 N 1.79 1.75 -0.29 3.99 0.00 0.23 -1.40 119.26 125.34 3f9m h ALA 119 Ca -0.50 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3f9m h ALA 119 Cb 1.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3f9m h ALA 119 CO 0.66 0.22 0.13 1.49 0.00 0.00 0.00 179.25 181.74 3f9m h GLU 120 N 0.43 0.27 -0.46 0.00 4.81 -1.91 0.14 114.58 117.86 3f9m h GLU 120 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3f9m h GLU 120 Cb -0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3f9m h GLU 120 CO -0.02 0.18 0.25 0.52 -0.73 0.00 0.00 179.01 179.20 3f9m h MET 121 N 0.27 0.64 0.16 1.92 2.86 -1.69 0.21 114.93 119.31 3f9m h MET 121 Ca 0.12 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3f9m h MET 121 Cb 0.06 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3f9m h MET 121 CO -0.10 0.51 -0.08 1.25 1.06 0.00 0.00 176.91 179.55 3f9m h LEU 122 N 0.61 -0.18 -0.78 1.22 5.85 -0.92 -0.37 115.31 120.74 3f9m h LEU 122 Ca 0.16 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3f9m h LEU 122 Cb 0.06 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3f9m h LEU 122 CO -0.03 -0.07 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.26 3f9m h PHE 123 N -0.28 0.00 -0.50 1.25 -1.00 -0.68 -0.93 116.94 114.80 3f9m h PHE 123 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3f9m h PHE 123 Cb 0.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3f9m h PHE 123 CO -0.05 0.49 0.28 -0.44 -1.61 0.00 0.00 178.31 176.98 3f9m h ASP 124 N 0.00 0.62 -0.32 2.17 3.45 -0.42 0.32 116.42 122.24 3f9m h ASP 124 Ca -0.00 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 3f9m h ASP 124 Cb 1.03 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.63 3f9m h ASP 124 CO 0.06 0.52 0.08 0.22 -1.57 0.00 0.00 179.24 178.56 3f9m h TYR 125 N 0.66 0.53 -0.58 4.55 5.03 -0.68 0.47 116.97 126.95 3f9m h TYR 125 Ca 0.18 -0.06 0.10 0.00 2.58 0.00 0.00 58.73 61.52 3f9m h TYR 125 Cb 0.04 -0.15 -0.08 0.00 1.55 0.00 0.00 36.73 38.09 3f9m h TYR 125 CO -0.02 0.55 0.16 0.82 -1.32 0.00 0.00 178.16 178.35 3f9m h ILE 126 N 0.35 0.71 -0.43 1.81 2.04 -1.07 -0.16 117.51 120.76 3f9m h ILE 126 Ca 0.10 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3f9m h ILE 126 Cb 0.28 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3f9m h ILE 126 CO 0.00 0.06 -0.04 0.28 0.00 0.00 0.00 178.15 178.45 3f9m h SER 127 N 0.32 0.69 -0.41 1.72 0.02 -0.44 -0.64 113.55 114.81 3f9m h SER 127 Ca 0.30 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3f9m h SER 127 Cb 0.40 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3f9m h SER 127 CO -0.34 0.78 0.26 -0.08 -1.14 0.00 0.00 176.83 176.31 3f9m h GLU 128 N 0.67 0.54 -0.43 3.45 4.81 -0.18 -0.61 114.58 122.83 3f9m h GLU 128 Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3f9m h GLU 128 Cb 0.47 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3f9m h GLU 128 CO 0.02 0.37 0.11 0.00 -0.73 0.00 0.00 179.01 178.78 3f9m h ILE 130 N 0.55 1.03 -0.24 0.00 2.04 -1.00 -0.35 117.51 119.56 3f9m h ILE 130 Ca 0.13 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3f9m h ILE 130 Cb 0.31 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3f9m h ILE 130 CO 0.00 0.12 0.12 -1.28 0.00 0.00 0.00 178.15 177.11 3f9m h SER 131 N 0.66 0.18 -0.99 1.72 0.87 -0.65 0.42 113.55 115.76 3f9m h SER 131 Ca 0.24 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 3f9m h SER 131 Cb 0.06 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.93 3f9m h SER 131 CO -0.12 0.14 0.64 -0.78 -0.53 0.00 0.00 176.83 176.18 3f9m h ASP 132 N 0.25 1.04 -0.13 6.23 1.82 -0.46 -1.44 116.42 123.74 3f9m h ASP 132 Ca 0.10 -0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 3f9m h ASP 132 Cb 0.02 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.81 3f9m h ASP 132 CO -0.06 0.69 -0.21 0.15 -1.61 0.00 0.00 179.24 178.19 3f9m h PHE 133 N 1.19 0.46 0.00 0.28 3.57 -0.71 -1.75 116.94 119.99 3f9m h PHE 133 Ca 0.41 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3f9m h PHE 133 Cb 0.10 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3f9m h PHE 133 CO -0.00 0.83 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.78 3f9m h LEU 134 N -0.04 0.00 0.15 0.59 3.38 -0.63 -2.65 115.31 116.11 3f9m h LEU 134 Ca 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 3f9m h LEU 134 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3f9m h LEU 134 CO 0.05 0.06 -1.65 0.44 0.09 0.00 0.00 178.44 177.43 3f9m h ASP 135 N 0.00 0.48 0.02 -0.43 3.32 -1.14 0.45 116.42 119.13 3f9m h ASP 135 Ca -0.00 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 56.34 3f9m h ASP 135 Cb 0.30 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3f9m h ASP 135 CO 0.01 1.60 -0.01 0.11 -1.72 0.00 0.00 179.24 179.23 3f9m h LYS 136 N 0.08 0.00 0.00 3.56 1.57 -0.97 -2.90 116.57 117.91 3f9m h LYS 136 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3f9m h LYS 136 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 3f9m h LYS 136 CO 0.17 0.01 -0.01 0.72 -0.57 0.00 0.00 179.45 179.77 3f9m n HIS 137 N -3.88 0.00 -3.32 -1.35 8.25 -1.08 -5.04 115.22 108.80 3f9m n HIS 137 Ca -0.03 -0.62 -0.12 0.00 -0.26 0.00 0.00 57.72 56.69 3f9m n HIS 137 Cb 0.09 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3f9m n HIS 137 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3f9m n GLN 138 N -0.74 -1.55 -0.32 -0.41 3.00 -0.65 -4.94 117.38 111.77 3f9m n GLN 138 Ca 0.04 1.31 0.00 0.00 -0.01 0.00 0.00 57.00 58.34 3f9m n GLN 138 Cb 0.37 -4.29 0.00 0.00 0.00 0.00 0.00 30.24 26.32 3f9m n GLN 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f9m n MET 139 N -1.79 0.00 0.21 -1.09 0.00 0.15 -4.94 117.12 109.65 3f9m n MET 139 Ca -0.10 -0.14 0.13 0.00 0.00 0.00 0.00 57.70 57.58 3f9m n MET 139 Cb 0.58 -0.09 0.30 0.00 0.00 0.00 0.00 33.22 34.01 3f9m n MET 139 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 3f9m h LYS 140 N 0.00 0.00 0.00 3.17 2.10 -1.92 -2.65 116.57 117.27 3f9m h LYS 140 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3f9m h LYS 140 Cb 1.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3f9m h LYS 140 CO 0.00 0.00 -0.10 1.12 -2.00 0.00 0.00 179.45 178.47 3f9m h HIS 141 N 0.00 0.00 -3.84 0.07 2.07 -1.92 -3.30 115.15 108.24 3f9m h HIS 141 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 3f9m h HIS 141 Cb 0.85 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.84 3f9m h HIS 141 CO 0.00 0.10 0.43 0.15 -3.07 0.00 0.00 177.93 175.54 3f9m s LYS 142 N -3.24 4.57 -0.48 5.12 1.02 -1.00 -4.94 119.74 120.79 3f9m s LYS 142 Ca 0.06 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 57.54 3f9m s LYS 142 Cb 0.06 -3.04 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 3f9m s LYS 142 CO 0.67 0.19 0.41 0.21 -0.92 0.00 0.00 175.35 175.91 3f9m s LYS 143 N -1.67 2.99 0.04 1.68 2.20 -1.26 -4.84 119.74 118.87 3f9m s LYS 143 Ca 0.47 -1.33 -0.15 0.00 -0.36 0.00 0.00 55.97 54.59 3f9m s LYS 143 Cb -0.28 -4.14 -0.06 0.00 -1.51 0.00 0.00 37.83 31.84 3f9m s LYS 143 CO 0.35 -1.05 0.46 -0.51 -0.36 0.00 0.00 175.35 174.25 3f9m s LEU 144 N 1.70 4.46 0.34 5.43 1.43 -1.26 -4.93 118.68 125.85 3f9m s LEU 144 Ca 0.05 1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.90 3f9m s LEU 144 Cb -0.24 -2.78 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 3f9m s LEU 144 CO 0.07 0.27 1.31 -2.84 0.23 0.00 0.00 176.35 175.39 3f9m s PRO 145 N -1.26 4.33 -0.11 1.29 0.02 -1.26 -3.00 135.00 135.02 3f9m s PRO 145 Ca 0.27 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.53 3f9m s PRO 145 Cb -0.17 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 3f9m s PRO 145 CO 0.16 -0.21 -0.17 -1.17 -0.33 0.00 0.00 177.00 175.28 3f9m s LEU 146 N -1.84 2.49 -0.13 -5.54 0.20 0.14 -1.52 118.68 112.49 3f9m s LEU 146 Ca 0.49 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 3f9m s LEU 146 Cb -0.40 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 3f9m s LEU 146 CO 0.53 0.19 -0.10 -0.83 -0.29 0.00 0.00 176.35 175.85 3f9m s GLY 147 N 0.18 1.60 -0.32 7.98 0.00 -0.13 -0.72 107.32 115.90 3f9m s GLY 147 Ca -0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3f9m s GLY 147 CO 0.06 -0.23 0.04 -0.12 0.00 0.00 0.00 173.10 172.84 3f9m s PHE 148 N 0.19 3.40 -0.34 1.90 5.99 0.21 -0.66 117.98 128.66 3f9m s PHE 148 Ca -0.06 -2.19 -0.29 0.00 0.00 0.00 0.00 56.93 54.39 3f9m s PHE 148 Cb -0.15 -2.44 0.02 0.00 0.00 0.00 0.00 43.02 40.45 3f9m s PHE 148 CO 0.04 -0.87 1.07 0.99 -0.00 0.00 0.00 175.22 176.45 3f9m s THR 149 N 1.17 4.48 -0.25 0.12 2.01 0.13 -0.85 115.64 122.44 3f9m s THR 149 Ca -0.01 1.61 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 3f9m s THR 149 Cb -0.20 -4.43 0.07 0.00 0.01 0.00 0.00 72.50 67.95 3f9m s THR 149 CO -0.03 -0.55 0.03 0.12 -0.69 0.00 0.00 174.62 173.50 3f9m s PHE 150 N 3.73 1.78 -1.17 4.92 2.19 0.30 -0.93 117.98 128.79 3f9m s PHE 150 Ca 0.45 -1.50 -0.04 0.00 0.33 0.00 0.00 56.93 56.16 3f9m s PHE 150 Cb -0.11 -1.50 0.23 0.00 -1.31 0.00 0.00 43.02 40.33 3f9m s PHE 150 CO 0.18 -0.76 1.97 0.43 1.83 0.00 0.00 175.22 178.87 3f9m n SER 151 N 4.83 7.15 -3.85 6.13 7.64 -0.15 -4.17 113.62 131.19 3f9m n SER 151 Ca -0.07 -3.38 -0.09 0.00 1.01 0.00 0.00 58.87 56.33 3f9m n SER 151 Cb 0.44 -1.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.27 3f9m n SER 151 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3f9m s PHE 152 N -2.38 0.12 0.05 1.43 0.40 -1.26 -4.84 117.98 111.50 3f9m s PHE 152 Ca 0.43 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 55.98 3f9m s PHE 152 Cb 0.15 -0.05 -0.07 0.00 0.51 0.00 0.00 43.02 43.56 3f9m s PHE 152 CO -0.06 -0.50 1.57 -1.25 0.70 0.00 0.00 175.22 175.67 3f9m s PRO 153 N -3.40 4.23 -0.05 0.24 0.04 -1.26 -4.94 135.00 129.87 3f9m s PRO 153 Ca 0.01 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.29 3f9m s PRO 153 Cb 0.03 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3f9m s PRO 153 CO -0.08 -0.68 -0.13 0.08 0.04 0.00 0.00 177.00 176.23 3f9m s VAL 154 N 2.55 1.11 -0.48 -0.36 1.01 -1.26 -0.82 120.40 122.15 3f9m s VAL 154 Ca 0.70 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 3f9m s VAL 154 Cb -0.37 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.06 3f9m s VAL 154 CO 0.30 0.34 0.71 -0.60 0.00 0.00 0.00 175.10 175.85 3f9m s ARG 155 N 0.36 3.26 0.26 2.72 6.06 -0.04 -4.88 118.95 126.70 3f9m s ARG 155 Ca -0.08 -0.45 -0.26 0.00 -2.50 0.00 0.00 55.73 52.43 3f9m s ARG 155 Cb -0.13 -4.01 -0.09 0.00 0.06 0.00 0.00 34.95 30.79 3f9m s ARG 155 CO 0.02 -1.17 0.89 -1.01 -2.50 0.00 0.00 175.30 171.53 3f9m s HIS 156 N 3.04 3.80 -0.15 5.12 3.76 -1.26 -1.18 115.29 128.41 3f9m s HIS 156 Ca 0.23 1.74 0.19 0.00 -0.15 0.00 0.00 55.06 57.07 3f9m s HIS 156 Cb -0.15 -2.87 -0.27 0.00 1.11 0.00 0.00 32.58 30.39 3f9m s HIS 156 CO 0.18 0.34 0.19 -1.91 -0.85 0.00 0.00 174.74 172.68 3f9m n GLU 157 N 0.98 0.68 -3.51 1.40 2.13 0.31 -4.96 120.64 117.67 3f9m n GLU 157 Ca -0.01 -0.06 -0.08 0.00 0.66 0.00 0.00 57.16 57.68 3f9m n GLU 157 Cb 0.49 -1.52 0.03 0.00 0.27 0.00 0.00 31.44 30.71 3f9m n GLU 157 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3f9m n ASP 158 N -2.62 -2.05 0.30 4.31 4.64 -0.94 -4.98 116.55 115.21 3f9m n ASP 158 Ca -0.25 -2.39 0.16 0.00 -1.38 0.00 0.00 54.79 50.93 3f9m n ASP 158 Cb 1.00 3.40 0.95 0.00 -1.04 0.00 0.00 41.12 45.43 3f9m n ASP 158 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3f9m h ILE 159 N 1.89 0.47 0.00 5.18 6.09 -1.82 -2.85 117.51 126.48 3f9m h ILE 159 Ca -0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3f9m h ILE 159 Cb 1.12 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.40 3f9m h ILE 159 CO 0.38 0.00 -0.02 -0.90 -3.07 0.00 0.00 178.15 174.54 3f9m n ASP 160 N -3.77 2.24 -3.67 2.19 3.85 -1.26 -0.64 116.55 115.49 3f9m n ASP 160 Ca -0.03 -2.98 -0.09 0.00 -0.71 0.00 0.00 54.79 50.99 3f9m n ASP 160 Cb 0.09 -0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 39.37 3f9m n ASP 160 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3f9m s LYS 161 N -2.65 0.40 -0.24 0.11 2.20 -1.08 -4.78 119.74 113.70 3f9m s LYS 161 Ca 0.29 0.98 -0.28 0.00 -0.36 0.00 0.00 55.97 56.59 3f9m s LYS 161 Cb 0.25 0.20 0.16 0.00 -1.51 0.00 0.00 37.83 36.93 3f9m s LYS 161 CO 0.03 -0.20 1.21 0.20 -0.36 0.00 0.00 175.35 176.23 3f9m s GLY 162 N 2.05 -0.02 -0.04 5.54 0.00 -1.26 -0.53 107.32 113.06 3f9m s GLY 162 Ca -0.06 2.66 -0.15 0.00 0.00 0.00 0.00 44.72 47.17 3f9m s GLY 162 CO -0.14 1.31 0.41 -0.26 0.00 0.00 0.00 173.10 174.42 3f9m s ILE 163 N -0.72 5.09 0.05 0.90 -4.36 -0.33 -1.00 121.20 120.83 3f9m s ILE 163 Ca 0.04 0.83 -0.31 0.00 -0.26 0.00 0.00 60.65 60.96 3f9m s ILE 163 Cb -0.02 -3.72 -0.08 0.00 1.25 0.00 0.00 42.46 39.89 3f9m s ILE 163 CO -0.06 0.51 1.62 -0.22 0.24 0.00 0.00 174.94 177.03 3f9m s LEU 164 N -0.59 4.36 -0.13 0.37 2.96 -0.74 -0.86 118.68 124.04 3f9m s LEU 164 Ca 0.23 2.42 -0.29 0.00 -0.22 0.00 0.00 54.13 56.28 3f9m s LEU 164 Cb -0.16 -3.56 -0.26 0.00 0.50 0.00 0.00 46.19 42.71 3f9m s LEU 164 CO 0.12 -0.86 0.81 -0.07 -1.32 0.00 0.00 176.35 175.02 3f9m h LEU 165 N 8.60 0.00 -7.00 -0.68 3.38 -1.34 0.25 115.31 118.52 3f9m h LEU 165 Ca -0.42 -0.96 0.02 0.00 0.09 0.00 0.00 57.88 56.61 3f9m h LEU 165 Cb 1.20 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.74 3f9m h LEU 165 CO 0.93 0.96 0.39 0.54 0.09 0.00 0.00 178.44 181.35 3f9m s ASN 166 N -6.18 -0.49 0.72 -0.43 4.22 -1.26 -4.57 114.94 106.95 3f9m s ASN 166 Ca -0.19 0.50 -0.13 0.00 -2.14 0.00 0.00 52.86 50.91 3f9m s ASN 166 Cb -0.03 0.41 0.03 0.00 1.28 0.00 0.00 41.25 42.94 3f9m s ASN 166 CO 0.69 -0.48 1.10 0.26 -2.04 0.00 0.00 177.10 176.63 3f9m s TRP 167 N -1.30 2.57 0.27 1.54 0.23 -1.26 -4.18 118.94 116.81 3f9m s TRP 167 Ca -0.05 1.56 0.03 0.00 -2.03 0.00 0.00 56.10 55.61 3f9m s TRP 167 Cb -0.00 -3.13 -0.03 0.00 0.03 0.00 0.00 33.47 30.34 3f9m s TRP 167 CO 0.04 -1.78 0.23 0.95 0.96 0.00 0.00 176.95 177.34 3f9m s THR 168 N -2.59 0.00 -1.72 2.01 -4.23 -1.26 -4.94 115.64 102.91 3f9m s THR 168 Ca 0.65 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3f9m s THR 168 Cb -0.19 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3f9m s THR 168 CO 0.48 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.85 3f9m n LYS 169 N -0.47 -1.55 0.00 3.99 5.02 -1.26 -2.32 118.16 121.57 3f9m n LYS 169 Ca 0.05 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 3f9m n LYS 169 Cb 0.64 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3f9m n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f9m n GLY 170 N -0.98 1.46 3.77 0.72 0.00 -1.26 -5.03 105.19 103.87 3f9m n GLY 170 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3f9m n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f9m s PHE 171 N -2.40 2.87 0.00 1.61 0.40 -0.98 -4.82 117.98 114.66 3f9m s PHE 171 Ca 0.00 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 3f9m s PHE 171 Cb 0.00 -3.59 0.00 0.00 0.51 0.00 0.00 43.02 39.94 3f9m s PHE 171 CO 0.00 -1.88 0.27 1.63 0.70 0.00 0.00 175.22 175.94 3f9m n LYS 172 N 0.04 0.00 -1.68 0.44 5.02 0.33 -4.44 118.16 117.87 3f9m n LYS 172 Ca 0.04 -0.27 -0.46 0.00 -2.02 0.00 0.00 58.31 55.60 3f9m n LYS 172 Cb 0.45 -0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 35.06 3f9m n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f9m n ALA 173 N 0.00 1.18 -1.41 7.82 0.00 -0.93 -4.70 120.51 122.46 3f9m n ALA 173 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 3f9m n ALA 173 Cb 0.44 -2.55 0.07 0.00 0.00 0.00 0.00 19.45 17.40 3f9m n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f9m s SER 174 N 3.96 4.84 -0.54 0.00 1.04 0.14 -3.75 113.70 119.39 3f9m s SER 174 Ca 0.90 1.96 0.00 0.00 0.48 0.00 0.00 55.95 59.29 3f9m s SER 174 Cb -0.61 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 62.97 3f9m s SER 174 CO 0.47 -1.81 0.00 0.61 0.98 0.00 0.00 173.24 173.49 3f9m n GLY 175 N -0.69 0.77 0.46 7.32 0.00 -1.26 0.83 105.19 112.62 3f9m n GLY 175 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 3f9m n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9m n ALA 176 N 1.09 2.11 -1.74 4.61 0.00 -1.25 -4.73 120.51 120.61 3f9m n ALA 176 Ca -0.05 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 3f9m n ALA 176 Cb 0.18 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 3f9m n ALA 176 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3f9m s GLU 177 N -2.21 4.12 0.00 0.00 2.02 -1.26 -1.05 118.70 120.31 3f9m s GLU 177 Ca -0.15 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.44 3f9m s GLU 177 Cb 0.05 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3f9m s GLU 177 CO 0.21 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.20 3f9m n GLY 178 N 3.10 1.31 3.74 -1.39 0.00 0.89 -4.97 105.19 107.87 3f9m n GLY 178 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3f9m n GLY 178 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f9m s ASN 179 N -3.08 5.17 -0.23 1.61 0.01 -0.22 -4.82 114.94 113.38 3f9m s ASN 179 Ca 0.00 -0.30 -0.29 0.00 -0.71 0.00 0.00 52.86 51.56 3f9m s ASN 179 Cb 0.00 -1.23 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 3f9m s ASN 179 CO 0.00 0.04 1.67 0.21 -1.51 0.00 0.00 177.10 177.51 3f9m s ASN 180 N -3.30 6.28 0.23 -1.22 2.47 -1.26 -1.79 114.94 116.35 3f9m s ASN 180 Ca 0.30 1.61 -0.05 0.00 0.42 0.00 0.00 52.86 55.14 3f9m s ASN 180 Cb -0.09 -2.53 0.24 0.00 -1.45 0.00 0.00 41.25 37.42 3f9m s ASN 180 CO 0.22 -1.34 1.76 0.58 -3.72 0.00 0.00 177.10 174.59 3f9m h VAL 181 N 6.27 1.25 -0.66 -5.21 2.07 -1.42 -0.39 116.25 118.16 3f9m h VAL 181 Ca -0.34 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 3f9m h VAL 181 Cb 1.16 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3f9m h VAL 181 CO 1.00 0.35 0.26 0.58 0.02 0.00 0.00 177.57 179.78 3f9m h VAL 182 N 0.94 1.23 -0.84 2.57 2.07 -1.87 -1.74 116.25 118.61 3f9m h VAL 182 Ca 0.20 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3f9m h VAL 182 Cb 0.37 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3f9m h VAL 182 CO 0.00 0.29 0.52 1.23 0.02 0.00 0.00 177.57 179.64 3f9m h GLY 183 N 1.04 1.21 1.01 2.17 0.00 -1.64 0.17 103.07 107.03 3f9m h GLY 183 Ca 0.22 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3f9m h GLY 183 CO -0.02 0.47 0.29 1.41 0.00 0.00 0.00 176.54 178.70 3f9m h LEU 184 N 1.15 0.89 0.09 3.11 3.38 -0.57 0.20 115.31 123.56 3f9m h LEU 184 Ca 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3f9m h LEU 184 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3f9m h LEU 184 CO -0.06 0.80 -0.04 0.25 0.09 0.00 0.00 178.44 179.47 3f9m h LEU 185 N 0.93 -0.10 -0.75 1.67 5.85 -1.05 -1.82 115.31 120.03 3f9m h LEU 185 Ca 0.22 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3f9m h LEU 185 Cb 0.17 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3f9m h LEU 185 CO -0.02 0.20 0.45 0.03 -0.34 0.00 0.00 178.44 178.76 3f9m h ARG 186 N -0.42 0.82 -0.68 1.25 3.08 -0.51 -0.72 114.38 117.21 3f9m h ARG 186 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3f9m h ARG 186 Cb 0.35 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3f9m h ARG 186 CO 0.02 0.54 0.38 -0.44 -1.07 0.00 0.00 179.97 179.40 3f9m h ASP 187 N 0.84 0.85 -0.50 7.04 3.32 -0.53 -1.13 116.42 126.30 3f9m h ASP 187 Ca 0.33 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3f9m h ASP 187 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3f9m h ASP 187 CO -0.16 0.70 -0.07 0.00 -1.72 0.00 0.00 179.24 177.99 3f9m h ALA 188 N 1.19 0.69 -0.77 3.45 0.00 -0.65 0.23 119.26 123.40 3f9m h ALA 188 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3f9m h ALA 188 Cb 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3f9m h ALA 188 CO -0.04 0.56 0.46 0.82 0.00 0.00 0.00 179.25 181.05 3f9m h ILE 189 N 0.80 1.22 -0.41 0.00 2.04 -0.91 -2.47 117.51 117.77 3f9m h ILE 189 Ca 0.13 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3f9m h ILE 189 Cb 0.61 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3f9m h ILE 189 CO 0.04 0.23 0.05 0.50 0.00 0.00 0.00 178.15 178.97 3f9m h LYS 190 N 1.05 0.69 0.00 2.37 3.64 -0.88 0.17 116.57 123.60 3f9m h LYS 190 Ca 0.27 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3f9m h LYS 190 Cb -0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3f9m h LYS 190 CO -0.05 0.75 0.00 0.54 -2.27 0.00 0.00 179.45 178.42 3f9m n ARG 191 N -4.49 0.16 -0.10 1.90 1.74 0.78 -2.99 116.66 113.67 3f9m n ARG 191 Ca -0.00 0.56 -0.15 0.00 -0.77 0.00 0.00 57.85 57.48 3f9m n ARG 191 Cb 0.25 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 3f9m n ARG 191 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3f9m n ARG 192 N -2.24 0.53 -1.13 5.56 0.63 -0.97 -4.98 116.66 114.06 3f9m n ARG 192 Ca -0.00 0.41 -0.04 0.00 -0.92 0.00 0.00 57.85 57.29 3f9m n ARG 192 Cb 0.11 -1.60 -0.02 0.00 0.45 0.00 0.00 32.46 31.40 3f9m n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f9m n GLY 193 N 1.46 0.73 0.63 5.14 0.00 0.55 -4.92 105.19 108.77 3f9m n GLY 193 Ca -0.25 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3f9m n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f9m n ASP 194 N 1.27 2.82 -3.50 1.61 3.85 -1.26 -4.97 116.55 116.37 3f9m n ASP 194 Ca -0.04 -1.93 -0.12 0.00 -0.71 0.00 0.00 54.79 51.98 3f9m n ASP 194 Cb 0.15 -0.21 -0.03 0.00 -1.35 0.00 0.00 41.12 39.68 3f9m n ASP 194 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3f9m s PHE 195 N -0.99 -0.44 -0.03 2.11 -0.12 -1.26 -4.85 117.98 112.40 3f9m s PHE 195 Ca 0.22 0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 3f9m s PHE 195 Cb 0.12 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 3f9m s PHE 195 CO 0.16 -0.78 -0.19 -1.21 -0.05 0.00 0.00 175.22 173.15 3f9m s GLU 196 N -3.55 1.78 -0.00 1.99 2.02 -1.24 -4.86 118.70 114.83 3f9m s GLU 196 Ca 0.01 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3f9m s GLU 196 Cb -0.00 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3f9m s GLU 196 CO -0.11 0.36 -0.01 -1.64 0.02 0.00 0.00 175.26 173.88 3f9m s MET 197 N -0.25 0.07 -0.58 1.61 -1.94 -1.26 -4.46 119.30 112.48 3f9m s MET 197 Ca 0.02 -0.02 -0.21 0.00 -1.71 0.00 0.00 55.69 53.78 3f9m s MET 197 Cb -0.10 -0.08 0.07 0.00 2.01 0.00 0.00 34.83 36.73 3f9m s MET 197 CO 0.01 0.01 0.79 0.34 -0.01 0.00 0.00 175.02 176.15 3f9m s ASP 198 N 0.05 6.21 -0.45 3.03 3.68 -1.16 -4.94 116.67 123.09 3f9m s ASP 198 Ca -0.00 -1.02 -0.29 0.00 2.13 0.00 0.00 52.55 53.37 3f9m s ASP 198 Cb -0.01 -2.35 0.02 0.00 -1.45 0.00 0.00 42.92 39.13 3f9m s ASP 198 CO -0.00 -1.16 1.31 -0.69 0.13 0.00 0.00 175.17 174.76 3f9m s VAL 199 N 3.23 4.00 -0.28 1.11 1.01 -1.26 0.27 120.40 128.48 3f9m s VAL 199 Ca 0.18 1.01 0.14 0.00 0.00 0.00 0.00 61.98 63.31 3f9m s VAL 199 Cb -0.19 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.63 3f9m s VAL 199 CO 0.11 -0.89 0.42 1.33 0.00 0.00 0.00 175.10 176.07 3f9m n VAL 200 N 6.99 0.00 -3.65 2.92 0.24 0.10 -4.91 118.33 120.03 3f9m n VAL 200 Ca 0.15 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 3f9m n VAL 200 Cb 0.48 0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 33.30 3f9m n VAL 200 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f9m s ALA 201 N -2.68 -1.38 -0.07 2.33 0.00 -1.19 -4.32 121.76 114.45 3f9m s ALA 201 Ca -0.01 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3f9m s ALA 201 Cb 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3f9m s ALA 201 CO 0.57 -0.30 -0.09 1.41 0.00 0.00 0.00 175.76 177.35 3f9m s MET 202 N -0.55 1.43 0.04 0.00 1.75 0.19 -0.62 119.30 121.54 3f9m s MET 202 Ca -0.07 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.09 3f9m s MET 202 Cb -0.03 -1.29 -0.03 0.00 2.84 0.00 0.00 34.83 36.32 3f9m s MET 202 CO 0.05 -0.06 -0.07 0.14 -0.65 0.00 0.00 175.02 174.43 3f9m s VAL 203 N 0.95 0.46 0.69 10.11 -7.23 -0.03 -4.79 120.40 120.56 3f9m s VAL 203 Ca -0.10 -1.18 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 3f9m s VAL 203 Cb -0.15 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.10 3f9m s VAL 203 CO 0.00 -0.49 1.08 0.21 -0.31 0.00 0.00 175.10 175.60 3f9m s ASN 204 N -1.78 5.14 0.38 4.85 3.84 -1.26 -0.54 114.94 125.57 3f9m s ASN 204 Ca -0.08 1.81 0.08 0.00 0.21 0.00 0.00 52.86 54.88 3f9m s ASN 204 Cb -0.07 -2.52 0.76 0.00 -0.55 0.00 0.00 41.25 38.86 3f9m s ASN 204 CO -0.01 -1.60 1.91 -2.24 -2.79 0.00 0.00 177.10 172.37 3f9m h ASP 205 N -0.42 0.28 -0.75 -4.21 -0.00 -1.92 -1.23 116.42 108.17 3f9m h ASP 205 Ca -0.45 -0.05 0.06 0.00 -0.00 0.00 0.00 57.03 56.58 3f9m h ASP 205 Cb 1.23 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.33 40.43 3f9m h ASP 205 CO 0.55 0.41 0.45 0.71 -0.00 0.00 0.00 179.24 181.36 3f9m h THR 206 N 0.29 1.01 -0.21 1.15 1.35 -1.92 -0.52 112.91 114.06 3f9m h THR 206 Ca 0.06 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.54 3f9m h THR 206 Cb 0.35 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.88 3f9m h THR 206 CO 0.02 0.15 -0.24 0.58 -0.25 0.00 0.00 175.52 175.78 3f9m h VAL 207 N 0.82 1.33 -0.75 6.82 2.07 -1.73 -0.22 116.25 124.59 3f9m h VAL 207 Ca 0.33 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.44 3f9m h VAL 207 Cb 0.17 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3f9m h VAL 207 CO -0.17 0.44 0.49 0.00 0.02 0.00 0.00 177.57 178.35 3f9m h ALA 208 N 0.64 0.95 -0.13 1.67 0.00 -1.03 -0.08 119.26 121.28 3f9m h ALA 208 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f9m h ALA 208 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3f9m h ALA 208 CO 0.06 0.36 0.07 1.15 0.00 0.00 0.00 179.25 180.88 3f9m h THR 209 N 1.01 1.10 -0.06 0.00 2.02 -0.80 -0.51 112.91 115.66 3f9m h THR 209 Ca 0.27 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3f9m h THR 209 Cb -0.11 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3f9m h THR 209 CO -0.06 0.09 -0.09 -0.03 0.37 0.00 0.00 175.52 175.80 3f9m h MET 210 N 0.10 -0.13 -0.75 6.66 -1.53 -0.62 -2.71 114.93 115.96 3f9m h MET 210 Ca 0.05 0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.28 3f9m h MET 210 Cb 0.09 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.13 3f9m h MET 210 CO -0.01 -0.08 0.32 0.82 0.14 0.00 0.00 176.91 178.09 3f9m h ILE 211 N -0.13 1.25 0.00 1.77 1.08 -0.81 -1.96 117.51 118.70 3f9m h ILE 211 Ca 0.06 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3f9m h ILE 211 Cb 0.21 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3f9m h ILE 211 CO -0.14 0.31 -0.08 0.77 -0.69 0.00 0.00 178.15 178.33 3f9m h SER 212 N 1.09 0.00 1.17 1.72 4.64 -0.79 -2.33 113.55 119.04 3f9m h SER 212 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3f9m h SER 212 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3f9m h SER 212 CO -0.02 0.08 -0.55 0.00 -0.87 0.00 0.00 176.83 175.47 3f9m h TYR 214 N 0.00 0.63 -0.00 0.00 3.20 -1.13 -0.50 116.97 119.17 3f9m h TYR 214 Ca 0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 3f9m h TYR 214 Cb 0.86 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3f9m h TYR 214 CO 0.00 0.32 -0.61 1.88 -1.64 0.00 0.00 178.16 178.11 3f9m h TYR 215 N 0.65 0.02 0.01 -3.82 0.05 -1.76 -0.99 116.97 111.14 3f9m h TYR 215 Ca 0.27 -0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.85 3f9m h TYR 215 Cb 0.14 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3f9m h TYR 215 CO -0.08 0.62 -0.92 1.49 -1.05 0.00 0.00 178.16 178.22 3f9m h GLU 216 N 0.01 0.08 -2.12 4.88 4.57 -1.82 -3.43 114.58 116.76 3f9m h GLU 216 Ca -0.01 -0.10 -0.33 0.00 -1.18 0.00 0.00 59.36 57.74 3f9m h GLU 216 Cb 1.08 0.03 -0.33 0.00 -0.16 0.00 0.00 28.75 29.37 3f9m h GLU 216 CO 0.08 0.94 -0.64 0.34 -1.18 0.00 0.00 179.01 178.54 3f9m s ASP 217 N -6.83 1.60 0.35 1.04 -1.08 -0.20 -5.00 116.67 106.54 3f9m s ASP 217 Ca -0.01 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 3f9m s ASP 217 Cb 0.10 0.52 1.26 0.00 -1.46 0.00 0.00 42.92 43.35 3f9m s ASP 217 CO 0.82 -0.37 1.76 0.45 0.52 0.00 0.00 175.17 178.34 3f9m h HIS 218 N 8.09 0.00 -0.01 -5.34 3.86 -1.47 -0.46 115.15 119.83 3f9m h HIS 218 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3f9m h HIS 218 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3f9m h HIS 218 CO 0.29 0.00 0.00 1.04 0.86 0.00 0.00 177.93 180.12 3f9m n GLN 219 N -2.37 1.30 -2.41 2.45 1.13 -1.26 -4.77 117.38 111.45 3f9m n GLN 219 Ca -0.01 -0.43 -0.43 0.00 -1.94 0.00 0.00 57.00 54.19 3f9m n GLN 219 Cb 0.09 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 3f9m n GLN 219 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f9m n GLU 221 N 8.13 0.45 -3.90 0.00 1.02 -0.99 -4.71 120.64 120.64 3f9m n GLU 221 Ca 0.15 -1.58 -0.15 0.00 -0.02 0.00 0.00 57.16 55.56 3f9m n GLU 221 Cb 0.48 -0.84 -0.15 0.00 -0.02 0.00 0.00 31.44 30.91 3f9m n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f9m s VAL 222 N -1.01 0.09 -0.05 2.62 1.01 -1.21 -1.35 120.40 120.50 3f9m s VAL 222 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3f9m s VAL 222 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 3f9m s VAL 222 CO 0.01 0.08 -0.23 -0.83 0.00 0.00 0.00 175.10 174.13 3f9m s GLY 223 N 0.54 1.35 -0.01 4.51 0.00 -0.37 -0.79 107.32 112.56 3f9m s GLY 223 Ca -0.05 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3f9m s GLY 223 CO -0.01 -0.69 -0.06 -0.29 0.00 0.00 0.00 173.10 172.05 3f9m s MET 224 N -0.30 0.57 -0.13 2.90 1.75 0.56 -0.40 119.30 124.26 3f9m s MET 224 Ca 0.01 -0.22 0.02 0.00 -1.25 0.00 0.00 55.69 54.24 3f9m s MET 224 Cb -0.13 -0.56 -0.00 0.00 2.84 0.00 0.00 34.83 36.98 3f9m s MET 224 CO 0.02 0.12 -0.18 0.42 -0.65 0.00 0.00 175.02 174.75 3f9m s ILE 225 N -0.03 2.54 -0.50 10.11 -1.09 0.04 -1.28 121.20 130.99 3f9m s ILE 225 Ca 0.01 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 3f9m s ILE 225 Cb -0.04 -2.04 0.15 0.00 -1.58 0.00 0.00 42.46 38.96 3f9m s ILE 225 CO -0.00 0.54 0.34 -0.69 -1.23 0.00 0.00 174.94 173.89 3f9m s VAL 226 N 0.50 1.48 0.00 2.92 1.01 -0.13 -1.90 120.40 124.27 3f9m s VAL 226 Ca -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 61.98 58.82 3f9m s VAL 226 Cb -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3f9m s VAL 226 CO 0.05 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.73 3f9m n GLY 227 N 2.92 3.61 0.21 4.51 0.00 -1.26 -1.51 105.19 113.67 3f9m n GLY 227 Ca 0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3f9m n GLY 227 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f9m h THR 228 N 0.00 0.97 -4.88 2.61 2.02 -1.93 0.59 112.91 112.29 3f9m h THR 228 Ca 0.00 -0.18 -0.32 0.00 0.77 0.00 0.00 66.41 66.67 3f9m h THR 228 Cb 0.00 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3f9m h THR 228 CO 0.00 0.10 -0.18 0.61 0.37 0.00 0.00 175.52 176.42 3f9m n GLY 229 N -1.25 3.16 2.88 2.16 0.00 -1.26 -1.15 105.19 109.73 3f9m n GLY 229 Ca 0.05 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 3f9m n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9m s ASN 231 N 1.45 -0.31 0.01 0.00 2.47 -0.80 -3.79 114.94 113.97 3f9m s ASN 231 Ca -0.06 -0.38 -0.12 0.00 0.42 0.00 0.00 52.86 52.71 3f9m s ASN 231 Cb -0.12 0.61 0.02 0.00 -1.45 0.00 0.00 41.25 40.31 3f9m s ASN 231 CO -0.06 -1.10 0.26 0.00 -3.72 0.00 0.00 177.10 172.49 3f9m s ALA 232 N -3.66 -0.61 0.23 1.71 0.00 -1.26 -0.78 121.76 117.40 3f9m s ALA 232 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.17 3f9m s ALA 232 Cb -0.03 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 3f9m s ALA 232 CO 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 175.76 175.38 3f9m s TYR 234 N -3.10 -0.45 -0.51 0.00 -0.85 -0.62 -1.23 117.35 110.59 3f9m s TYR 234 Ca 0.26 0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 56.74 3f9m s TYR 234 Cb 0.03 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.88 3f9m s TYR 234 CO 0.09 -0.82 1.09 -1.64 -1.52 0.00 0.00 175.55 172.75 3f9m s MET 235 N -3.77 3.59 0.19 -3.49 -1.94 -0.46 -0.41 119.30 113.02 3f9m s MET 235 Ca 0.02 0.33 -0.03 0.00 -1.71 0.00 0.00 55.69 54.30 3f9m s MET 235 Cb -0.00 -3.95 -0.05 0.00 2.01 0.00 0.00 34.83 32.83 3f9m s MET 235 CO -0.12 -1.44 0.40 -2.00 -0.01 0.00 0.00 175.02 171.84 3f9m s GLU 236 N 4.41 3.56 0.16 2.03 2.56 0.24 -4.87 118.70 126.80 3f9m s GLU 236 Ca 0.43 -0.22 -0.31 0.00 0.00 0.00 0.00 54.97 54.87 3f9m s GLU 236 Cb -0.08 -2.83 -0.09 0.00 2.00 0.00 0.00 34.13 33.13 3f9m s GLU 236 CO 0.28 0.41 1.40 -1.21 -0.56 0.00 0.00 175.26 175.58 3f9m s GLU 237 N -3.09 4.31 0.45 4.30 0.41 -1.26 -0.90 118.70 122.92 3f9m s GLU 237 Ca 0.40 2.14 0.18 0.00 -0.41 0.00 0.00 54.97 57.28 3f9m s GLU 237 Cb -0.11 -3.20 1.12 0.00 -1.78 0.00 0.00 34.13 30.16 3f9m s GLU 237 CO 0.28 -0.41 1.93 0.52 -0.49 0.00 0.00 175.26 177.09 3f9m h MET 238 N 6.19 0.32 0.00 1.61 2.86 -1.09 0.67 114.93 125.50 3f9m h MET 238 Ca -0.43 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3f9m h MET 238 Cb 1.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 3f9m h MET 238 CO 0.84 0.21 -0.01 -0.56 1.06 0.00 0.00 176.91 178.45 3f9m h GLN 239 N 0.33 0.00 0.00 1.72 3.07 -1.74 -1.50 115.11 117.00 3f9m h GLN 239 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 3f9m h GLN 239 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.45 3f9m h GLN 239 CO -0.10 0.01 -0.90 0.09 0.09 0.00 0.00 178.83 178.03 3f9m n ASN 240 N -3.28 0.64 -4.45 0.06 3.02 0.21 -4.64 115.26 106.82 3f9m n ASN 240 Ca -0.02 -0.31 -0.44 0.00 -0.03 0.00 0.00 54.58 53.77 3f9m n ASN 240 Cb 0.12 0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 3f9m n ASN 240 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f9m s VAL 241 N -3.13 4.90 -0.07 2.41 1.01 -0.56 -4.73 120.40 120.23 3f9m s VAL 241 Ca 0.06 -2.14 0.30 0.00 0.00 0.00 0.00 61.98 60.20 3f9m s VAL 241 Cb 0.15 -4.84 0.34 0.00 0.00 0.00 0.00 36.38 32.03 3f9m s VAL 241 CO 0.79 -1.56 1.91 -0.33 0.00 0.00 0.00 175.10 175.91 3f9m h GLU 242 N 7.95 0.00 -0.00 2.72 5.08 -1.75 -2.66 114.58 125.93 3f9m h GLU 242 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3f9m h GLU 242 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3f9m h GLU 242 CO 1.17 0.00 -0.01 1.28 -1.00 0.00 0.00 179.01 180.45 3f9m n LEU 243 N -2.74 0.04 -4.19 1.33 4.32 -1.26 -4.76 117.00 109.74 3f9m n LEU 243 Ca 0.01 0.28 -0.24 0.00 -0.02 0.00 0.00 56.01 56.04 3f9m n LEU 243 Cb 0.24 -0.30 -0.14 0.00 -1.62 0.00 0.00 43.42 41.60 3f9m n LEU 243 CO 0.23 0.01 -0.50 -0.69 -1.22 0.00 0.00 177.39 175.22 3f9m s VAL 244 N -2.61 1.41 0.26 4.08 1.01 -1.00 -5.07 120.40 118.47 3f9m s VAL 244 Ca 0.27 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3f9m s VAL 244 Cb 0.20 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 3f9m s VAL 244 CO 0.47 0.22 1.20 -0.70 0.00 0.00 0.00 175.10 176.29 3f9m s GLU 245 N -0.88 4.50 0.00 2.72 2.56 -1.26 -4.90 118.70 121.44 3f9m s GLU 245 Ca 0.06 1.96 0.00 0.00 0.00 0.00 0.00 54.97 56.98 3f9m s GLU 245 Cb -0.08 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.88 3f9m s GLU 245 CO 0.01 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 3f9m n GLY 246 N 1.49 2.95 0.24 -1.50 0.00 -1.26 -4.99 105.19 102.11 3f9m n GLY 246 Ca 0.01 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.42 3f9m n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9m n ASP 247 N 0.00 1.52 -4.83 1.61 10.43 -1.26 -4.27 116.55 119.75 3f9m n ASP 247 Ca 0.00 -1.27 -0.36 0.00 2.57 0.00 0.00 54.79 55.73 3f9m n ASP 247 Cb 0.00 -0.00 -0.07 0.00 1.84 0.00 0.00 41.12 42.89 3f9m n ASP 247 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3f9m s GLU 248 N -0.51 3.68 2.16 -1.24 2.56 -1.26 -3.58 118.70 120.50 3f9m s GLU 248 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.91 3f9m s GLU 248 Cb 0.05 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.92 3f9m s GLU 248 CO 0.07 0.63 0.00 0.41 -0.56 0.00 0.00 175.26 175.82 3f9m n GLY 249 N 2.43 -1.28 3.22 -1.50 0.00 -1.26 -4.65 105.19 102.15 3f9m n GLY 249 Ca -0.18 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 3f9m n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f9m s ARG 250 N 0.00 0.98 0.01 1.61 0.52 -1.26 -0.60 118.95 120.20 3f9m s ARG 250 Ca 0.00 -1.24 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 3f9m s ARG 250 Cb 0.00 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 3f9m s ARG 250 CO 0.00 0.14 -0.04 1.41 0.02 0.00 0.00 175.30 176.83 3f9m s MET 251 N -2.81 0.30 0.20 3.54 -2.45 -0.08 -1.55 119.30 116.45 3f9m s MET 251 Ca 0.09 -0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 53.97 3f9m s MET 251 Cb -0.04 -0.21 -0.08 0.00 1.25 0.00 0.00 34.83 35.75 3f9m s MET 251 CO 0.02 0.05 1.21 0.00 1.05 0.00 0.00 175.02 177.35 3f9m s VAL 253 N -0.18 2.87 -0.53 0.00 1.01 0.46 -1.71 120.40 122.31 3f9m s VAL 253 Ca 0.52 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3f9m s VAL 253 Cb -0.34 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3f9m s VAL 253 CO 0.38 0.53 0.80 0.21 0.00 0.00 0.00 175.10 177.02 3f9m s ASN 254 N 0.41 6.29 0.36 3.32 2.47 0.31 -1.58 114.94 126.52 3f9m s ASN 254 Ca -0.11 -0.58 0.05 0.00 0.42 0.00 0.00 52.86 52.65 3f9m s ASN 254 Cb -0.16 -2.37 0.69 0.00 -1.45 0.00 0.00 41.25 37.95 3f9m s ASN 254 CO 0.05 -1.07 1.93 0.71 -3.72 0.00 0.00 177.10 175.00 3f9m h THR 255 N 5.95 1.17 -6.33 -5.21 1.35 -1.44 0.33 112.91 108.73 3f9m h THR 255 Ca -0.27 -0.63 -0.47 0.00 -0.55 0.00 0.00 66.41 64.50 3f9m h THR 255 Cb 1.08 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3f9m h THR 255 CO 1.03 0.22 -0.84 -0.62 -0.25 0.00 0.00 175.52 175.06 3f9m n GLU 256 N -4.33 -4.26 0.00 4.72 -0.58 -1.26 -1.81 120.64 113.13 3f9m n GLU 256 Ca 0.02 0.51 0.06 0.00 -0.42 0.00 0.00 57.16 57.34 3f9m n GLU 256 Cb 0.20 -4.98 0.29 0.00 -0.57 0.00 0.00 31.44 26.38 3f9m n GLU 256 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3f9m n TRP 257 N -4.40 0.00 0.17 -0.32 2.14 -1.26 -2.42 117.44 111.35 3f9m n TRP 257 Ca -0.21 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.52 3f9m n TRP 257 Cb 0.64 -0.48 0.78 0.00 -0.81 0.00 0.00 31.31 31.44 3f9m n TRP 257 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3f9m h GLY 258 N 2.28 0.00 0.30 -1.67 0.00 -1.89 -0.40 103.07 101.68 3f9m h GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f9m h GLY 258 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 3f9m n ALA 259 N -2.43 2.85 -1.64 3.60 0.00 -1.02 -1.74 120.51 120.14 3f9m n ALA 259 Ca 0.02 -0.36 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 3f9m n ALA 259 Cb 0.34 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3f9m n ALA 259 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f9m n PHE 260 N -0.56 1.73 0.00 0.00 7.35 -0.16 -1.10 117.46 124.71 3f9m n PHE 260 Ca 0.15 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3f9m n PHE 260 Cb 0.32 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 37.82 3f9m n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3f9m n GLY 261 N 1.14 2.44 0.21 7.13 0.00 -1.26 -1.49 105.19 113.36 3f9m n GLY 261 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 3f9m n GLY 261 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f9m h ASP 262 N 0.00 0.00 -0.37 1.61 5.19 -1.41 -0.60 116.42 120.84 3f9m h ASP 262 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3f9m h ASP 262 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3f9m h ASP 262 CO 0.00 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.92 3f9m n SER 263 N -2.64 4.17 0.00 6.45 7.64 -1.26 -4.94 113.62 123.04 3f9m n SER 263 Ca 0.00 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.09 3f9m n SER 263 Cb 0.20 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3f9m n SER 263 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f9m n GLY 264 N 0.03 0.69 0.15 0.23 0.00 -0.23 -4.98 105.19 101.07 3f9m n GLY 264 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3f9m n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f9m n GLU 265 N -1.78 0.18 -0.08 1.61 4.71 -1.24 -1.89 120.64 122.15 3f9m n GLU 265 Ca 0.00 0.50 0.04 0.00 -0.01 0.00 0.00 57.16 57.70 3f9m n GLU 265 Cb 0.00 -1.91 0.08 0.00 -1.01 0.00 0.00 31.44 28.60 3f9m n GLU 265 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3f9m n LEU 266 N -2.27 2.30 -0.29 -4.62 4.77 -1.26 -4.83 117.00 110.79 3f9m n LEU 266 Ca 0.01 -1.57 0.04 0.00 -0.03 0.00 0.00 56.01 54.46 3f9m n LEU 266 Cb 0.16 -0.10 0.18 0.00 -2.33 0.00 0.00 43.42 41.33 3f9m n LEU 266 CO 0.16 0.54 1.13 0.44 -1.33 0.00 0.00 177.39 178.33 3f9m h ASP 267 N 1.64 0.65 0.42 -1.43 3.45 -1.70 0.20 116.42 119.64 3f9m h ASP 267 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3f9m h ASP 267 Cb 0.55 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3f9m h ASP 267 CO 0.00 0.35 0.00 -1.84 -1.57 0.00 0.00 179.24 176.18 3f9m n GLU 268 N -4.77 0.10 -0.00 3.56 0.28 -1.26 -2.57 120.64 115.97 3f9m n GLU 268 Ca 0.15 0.43 0.08 0.00 -0.16 0.00 0.00 57.16 57.66 3f9m n GLU 268 Cb 0.32 -1.73 -0.12 0.00 1.43 0.00 0.00 31.44 31.34 3f9m n GLU 268 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3f9m n PHE 269 N -1.93 0.00 -2.35 -1.84 3.72 0.68 -4.98 117.46 110.76 3f9m n PHE 269 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3f9m n PHE 269 Cb 0.14 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 3f9m n PHE 269 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3f9m s LEU 270 N -3.63 4.43 0.42 4.37 1.43 -1.02 -5.02 118.68 119.67 3f9m s LEU 270 Ca -0.01 2.24 0.08 0.00 -1.03 0.00 0.00 54.13 55.41 3f9m s LEU 270 Cb 0.11 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 3f9m s LEU 270 CO 0.68 -0.41 0.44 -0.76 0.23 0.00 0.00 176.35 176.53 3f9m s LEU 271 N -0.06 3.45 0.33 1.79 1.43 -1.26 -4.97 118.68 119.39 3f9m s LEU 271 Ca 0.54 -0.66 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3f9m s LEU 271 Cb -0.33 -2.21 0.82 0.00 0.03 0.00 0.00 46.19 44.50 3f9m s LEU 271 CO 0.36 -0.71 1.79 1.05 0.23 0.00 0.00 176.35 179.07 3f9m h GLU 272 N 0.89 0.67 -0.68 1.70 4.11 -2.00 -0.67 114.58 118.60 3f9m h GLU 272 Ca -0.41 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.92 3f9m h GLU 272 Cb 1.27 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3f9m h GLU 272 CO 0.53 0.44 0.19 1.88 0.07 0.00 0.00 179.01 182.13 3f9m h TYR 273 N 0.69 1.10 -0.57 2.06 -1.99 -1.96 -0.82 116.97 115.48 3f9m h TYR 273 Ca 0.56 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 61.09 3f9m h TYR 273 Cb 0.97 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 3f9m h TYR 273 CO -0.00 0.89 0.03 -0.44 -0.00 0.00 0.00 178.16 178.63 3f9m h ASP 274 N 1.02 0.96 -0.65 3.88 3.32 -1.54 -0.42 116.42 122.98 3f9m h ASP 274 Ca 0.22 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3f9m h ASP 274 Cb 0.32 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3f9m h ASP 274 CO -0.00 1.02 0.38 0.03 -1.72 0.00 0.00 179.24 178.94 3f9m h ARG 275 N 0.88 0.90 -0.22 3.56 3.08 -0.73 -0.46 114.38 121.38 3f9m h ARG 275 Ca 0.17 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3f9m h ARG 275 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3f9m h ARG 275 CO 0.02 0.66 0.03 -0.07 -1.07 0.00 0.00 179.97 179.54 3f9m h LEU 276 N 0.89 0.36 -0.59 3.04 3.38 -0.81 0.99 115.31 122.57 3f9m h LEU 276 Ca 0.23 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3f9m h LEU 276 Cb 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3f9m h LEU 276 CO -0.04 0.55 0.30 0.58 0.09 0.00 0.00 178.44 179.92 3f9m h VAL 277 N 0.16 0.93 -0.20 1.22 2.07 -0.94 -1.38 116.25 118.11 3f9m h VAL 277 Ca 0.07 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3f9m h VAL 277 Cb 0.34 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3f9m h VAL 277 CO 0.01 0.10 0.03 -0.78 0.02 0.00 0.00 177.57 176.95 3f9m h ASP 278 N 0.56 0.33 0.46 0.57 3.58 -0.74 -2.10 116.42 119.09 3f9m h ASP 278 Ca 0.27 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 3f9m h ASP 278 Cb 0.20 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 3f9m h ASP 278 CO -0.19 0.52 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.08 3f9m h GLU 279 N 0.13 0.00 -0.01 0.28 5.08 -0.47 -1.52 114.58 118.07 3f9m h GLU 279 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3f9m h GLU 279 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3f9m h GLU 279 CO 0.01 0.27 -0.09 -1.13 -1.00 0.00 0.00 179.01 177.06 3f9m n SER 280 N -3.83 1.28 -4.87 1.42 3.41 -0.55 -4.88 113.62 105.60 3f9m n SER 280 Ca -0.02 -1.26 -0.27 0.00 -0.26 0.00 0.00 58.87 57.07 3f9m n SER 280 Cb 0.36 0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.44 3f9m n SER 280 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f9m s SER 281 N -2.19 4.57 0.42 4.04 1.04 -0.57 -4.97 113.70 116.04 3f9m s SER 281 Ca 0.33 0.58 0.28 0.00 0.48 0.00 0.00 55.95 57.62 3f9m s SER 281 Cb 0.20 -1.12 0.98 0.00 0.10 0.00 0.00 66.02 66.19 3f9m s SER 281 CO 0.40 -1.81 1.81 0.00 0.98 0.00 0.00 173.24 174.63 3f9m h ALA 282 N -0.87 1.00 -2.09 5.32 0.00 -1.91 -3.34 119.26 117.37 3f9m h ALA 282 Ca -0.45 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 3f9m h ALA 282 Cb 1.32 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.70 3f9m h ALA 282 CO 0.61 0.00 -0.98 0.27 0.00 0.00 0.00 179.25 179.15 3f9m n ASN 283 N -2.80 1.92 -4.71 0.00 6.94 -1.26 -4.99 115.26 110.36 3f9m n ASN 283 Ca 0.02 -3.16 -0.43 0.00 -0.02 0.00 0.00 54.58 50.99 3f9m n ASN 283 Cb 0.35 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 37.14 3f9m n ASN 283 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3f9m n PRO 284 N 0.43 2.43 -0.29 -0.53 -0.04 -1.26 -1.25 135.00 134.50 3f9m n PRO 284 Ca 0.26 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 3f9m n PRO 284 Cb 0.54 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3f9m n PRO 284 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f9m n GLY 285 N 2.24 1.26 3.52 0.55 0.00 -1.26 -5.03 105.19 106.47 3f9m n GLY 285 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3f9m n GLY 285 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f9m s GLN 286 N -0.42 1.85 -1.37 1.61 -0.21 -0.38 -4.73 119.66 116.01 3f9m s GLN 286 Ca 0.00 -1.48 -0.08 0.00 0.02 0.00 0.00 55.36 53.82 3f9m s GLN 286 Cb 0.00 -1.98 0.01 0.00 1.00 0.00 0.00 33.01 32.04 3f9m s GLN 286 CO 0.00 0.39 1.06 1.04 -2.12 0.00 0.00 175.29 175.66 3f9m n GLN 287 N -0.19 -7.29 -0.05 2.91 1.13 -1.26 -4.89 117.38 107.74 3f9m n GLN 287 Ca -0.09 0.83 -0.05 0.00 -1.94 0.00 0.00 57.00 55.75 3f9m n GLN 287 Cb 0.57 -5.80 0.16 0.00 0.11 0.00 0.00 30.24 25.29 3f9m n GLN 287 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3f9m h LEU 288 N -2.43 0.64 -0.27 1.08 3.38 -1.65 0.36 115.31 116.42 3f9m h LEU 288 Ca -0.55 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.13 3f9m h LEU 288 Cb 1.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3f9m h LEU 288 CO 0.55 0.82 -0.18 0.22 0.09 0.00 0.00 178.44 179.93 3f9m h TYR 289 N 0.58 0.71 -0.52 1.13 3.20 -0.47 -2.41 116.97 119.18 3f9m h TYR 289 Ca 0.09 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.78 3f9m h TYR 289 Cb 0.61 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3f9m h TYR 289 CO 0.03 0.88 0.35 1.49 -1.64 0.00 0.00 178.16 179.26 3f9m h GLU 290 N 0.34 0.67 0.00 1.82 4.81 -0.92 -1.19 114.58 120.10 3f9m h GLU 290 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3f9m h GLU 290 Cb 0.72 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3f9m h GLU 290 CO 0.05 0.44 0.00 1.63 -0.73 0.00 0.00 179.01 180.40 3f9m n LYS 291 N -4.46 0.00 0.04 1.92 5.02 0.08 0.21 118.16 120.98 3f9m n LYS 291 Ca 0.05 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.71 3f9m n LYS 291 Cb 0.06 -1.51 0.35 0.00 -0.02 0.00 0.00 35.03 33.92 3f9m n LYS 291 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f9m n LEU 292 N -1.51 0.51 0.00 -0.35 4.77 -0.45 -4.62 117.00 115.35 3f9m n LEU 292 Ca 0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3f9m n LEU 292 Cb 0.18 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3f9m n LEU 292 CO 0.14 -0.03 -0.26 -0.38 -1.33 0.00 0.00 177.39 175.53 3f9m n ILE 293 N -1.86 0.00 -1.80 -0.08 5.41 -0.45 -4.00 119.36 116.58 3f9m n ILE 293 Ca 0.05 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.45 3f9m n ILE 293 Cb 0.39 -0.59 0.05 0.00 -0.71 0.00 0.00 39.64 38.79 3f9m n ILE 293 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3f9m s GLY 294 N -4.15 2.57 0.59 7.39 0.00 0.13 -4.73 107.32 109.12 3f9m s GLY 294 Ca 0.00 0.93 0.38 0.00 0.00 0.00 0.00 44.72 46.03 3f9m s GLY 294 CO 0.00 1.33 2.12 -1.33 0.00 0.00 0.00 173.10 175.22 3f9m h GLY 295 N 0.42 0.00 2.00 0.20 0.00 0.61 -0.54 103.07 105.76 3f9m h GLY 295 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3f9m h GLY 295 CO 0.53 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.72 3f9m h LYS 296 N 0.00 0.00 0.00 4.80 3.64 -1.32 -3.31 116.57 120.38 3f9m h LYS 296 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3f9m h LYS 296 Cb 0.33 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3f9m h LYS 296 CO 0.00 0.05 -1.17 0.66 -2.27 0.00 0.00 179.45 176.72 3f9m n TYR 297 N -4.07 0.00 -0.08 1.91 4.02 -0.48 -4.70 117.16 113.76 3f9m n TYR 297 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.77 3f9m n TYR 297 Cb 0.13 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 3f9m n TYR 297 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3f9m h MET 298 N 0.00 0.37 -0.71 -0.72 4.05 -1.24 -0.86 114.93 115.83 3f9m h MET 298 Ca -0.02 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 3f9m h MET 298 Cb 0.41 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 3f9m h MET 298 CO 0.00 0.32 0.31 0.78 0.23 0.00 0.00 176.91 178.55 3f9m h GLY 299 N 0.32 1.09 1.20 1.39 0.00 -1.78 -1.84 103.07 103.45 3f9m h GLY 299 Ca 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3f9m h GLY 299 CO -0.02 0.52 -0.04 -2.09 0.00 0.00 0.00 176.54 174.92 3f9m h GLU 300 N 1.01 0.95 -0.40 4.80 4.57 -1.50 0.69 114.58 124.70 3f9m h GLU 300 Ca 0.24 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3f9m h GLU 300 Cb 0.14 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3f9m h GLU 300 CO -0.03 0.96 0.17 -0.07 -1.18 0.00 0.00 179.01 178.86 3f9m h LEU 301 N 0.87 0.21 -0.59 1.64 3.38 -0.65 -0.76 115.31 119.40 3f9m h LEU 301 Ca 0.15 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3f9m h LEU 301 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3f9m h LEU 301 CO 0.03 0.16 0.38 0.58 0.09 0.00 0.00 178.44 179.68 3f9m h VAL 302 N 0.34 1.13 -0.65 1.22 2.07 -0.85 -0.55 116.25 118.97 3f9m h VAL 302 Ca 0.18 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3f9m h VAL 302 Cb 0.14 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3f9m h VAL 302 CO -0.16 0.14 0.38 -0.09 0.02 0.00 0.00 177.57 177.86 3f9m h ARG 303 N 0.78 0.70 -0.14 1.57 2.43 -0.25 0.13 114.38 119.59 3f9m h ARG 303 Ca 0.22 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3f9m h ARG 303 Cb -0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3f9m h ARG 303 CO -0.06 0.46 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.34 3f9m h LEU 304 N 0.72 0.37 -0.35 3.80 3.38 -0.65 -0.30 115.31 122.29 3f9m h LEU 304 Ca 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3f9m h LEU 304 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3f9m h LEU 304 CO -0.14 0.78 0.16 0.58 0.09 0.00 0.00 178.44 179.90 3f9m h VAL 305 N 0.28 1.17 -0.86 1.22 2.07 -0.05 -1.61 116.25 118.48 3f9m h VAL 305 Ca 0.02 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3f9m h VAL 305 Cb 0.91 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3f9m h VAL 305 CO 0.08 0.18 0.44 -0.07 0.02 0.00 0.00 177.57 178.22 3f9m h LEU 306 N 0.43 1.11 -1.11 2.57 3.38 -0.25 -0.74 115.31 120.70 3f9m h LEU 306 Ca 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3f9m h LEU 306 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3f9m h LEU 306 CO -0.01 0.91 0.17 -0.07 0.09 0.00 0.00 178.44 179.53 3f9m h LEU 307 N 1.22 0.74 -0.16 1.67 3.38 -0.75 0.16 115.31 121.57 3f9m h LEU 307 Ca 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3f9m h LEU 307 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3f9m h LEU 307 CO -0.04 0.70 0.08 -0.09 0.09 0.00 0.00 178.44 179.18 3f9m h ARG 308 N 0.79 0.23 -0.76 1.13 9.65 -0.52 0.14 114.38 125.04 3f9m h ARG 308 Ca 0.18 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3f9m h ARG 308 Cb 0.23 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 3f9m h ARG 308 CO -0.01 0.26 0.41 -0.07 2.80 0.00 0.00 179.97 183.37 3f9m h LEU 309 N 0.14 0.94 -0.33 3.80 3.38 -0.57 -0.86 115.31 121.81 3f9m h LEU 309 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3f9m h LEU 309 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3f9m h LEU 309 CO -0.01 0.76 0.15 0.58 0.09 0.00 0.00 178.44 180.02 3f9m h VAL 310 N 1.06 1.17 -0.11 1.22 2.07 -0.40 0.05 116.25 121.31 3f9m h VAL 310 Ca 0.27 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3f9m h VAL 310 Cb 0.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3f9m h VAL 310 CO -0.04 0.18 0.08 -0.78 0.02 0.00 0.00 177.57 177.02 3f9m h ASP 311 N 0.40 0.05 -0.29 0.57 3.58 0.00 -0.99 116.42 119.75 3f9m h ASP 311 Ca 0.11 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3f9m h ASP 311 Cb 0.14 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3f9m h ASP 311 CO -0.01 0.04 0.00 -0.62 -2.88 0.00 0.00 179.24 175.76 3f9m n GLU 312 N -4.51 1.76 -2.90 0.28 -0.58 -0.39 -4.90 120.64 109.39 3f9m n GLU 312 Ca -0.01 -1.17 -0.22 0.00 -0.42 0.00 0.00 57.16 55.35 3f9m n GLU 312 Cb 0.15 -1.30 0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3f9m n GLU 312 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3f9m n ASN 313 N 0.43 -5.84 -0.00 1.62 4.13 -0.37 -4.88 115.26 110.33 3f9m n ASN 313 Ca 0.13 -0.22 0.08 0.00 1.68 0.00 0.00 54.58 56.25 3f9m n ASN 313 Cb 0.29 -4.76 -0.10 0.00 -1.54 0.00 0.00 39.78 33.67 3f9m n ASN 313 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3f9m n LEU 314 N -3.76 0.83 -3.78 3.41 4.77 -0.04 -4.70 117.00 113.73 3f9m n LEU 314 Ca -0.14 -0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 55.23 3f9m n LEU 314 Cb 0.63 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.60 3f9m n LEU 314 CO 0.43 0.21 -0.13 -0.22 -1.33 0.00 0.00 177.39 176.35 3f9m s LEU 315 N -2.87 1.03 -1.46 2.23 0.20 -1.19 -4.92 118.68 111.70 3f9m s LEU 315 Ca 0.07 0.45 -0.07 0.00 0.69 0.00 0.00 54.13 55.27 3f9m s LEU 315 Cb 0.14 0.74 0.03 0.00 -0.43 0.00 0.00 46.19 46.66 3f9m s LEU 315 CO 0.74 -0.09 0.62 0.49 -0.29 0.00 0.00 176.35 177.81 3f9m n PHE 316 N 3.21 -1.98 -1.93 5.38 3.72 -1.26 -0.88 117.46 123.72 3f9m n PHE 316 Ca -0.15 0.55 -0.20 0.00 -0.05 0.00 0.00 57.45 57.60 3f9m n PHE 316 Cb 0.57 -4.00 -0.05 0.00 -0.94 0.00 0.00 39.48 35.06 3f9m n PHE 316 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3f9m n HIS 317 N -4.36 -0.41 -1.32 1.38 8.25 -1.26 -1.08 115.22 116.41 3f9m n HIS 317 Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 3f9m n HIS 317 Cb 0.59 -3.61 -0.05 0.00 1.12 0.00 0.00 29.99 28.04 3f9m n HIS 317 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f9m n GLY 318 N -0.71 1.22 3.09 -1.41 0.00 -0.06 -5.00 105.19 102.32 3f9m n GLY 318 Ca -0.22 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3f9m n GLY 318 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f9m s GLU 319 N -2.86 2.61 -0.18 1.61 2.02 -0.24 -4.79 118.70 116.87 3f9m s GLU 319 Ca 0.00 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.20 3f9m s GLU 319 Cb 0.00 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 3f9m s GLU 319 CO 0.00 -0.12 0.13 0.00 0.02 0.00 0.00 175.26 175.29 3f9m s ALA 320 N 1.12 3.70 0.92 5.21 0.00 -1.26 -4.78 121.76 126.66 3f9m s ALA 320 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3f9m s ALA 320 Cb -0.14 -2.11 0.14 0.00 0.00 0.00 0.00 23.12 21.01 3f9m s ALA 320 CO -0.06 0.26 1.09 -1.54 0.00 0.00 0.00 175.76 175.51 3f9m s SER 321 N 0.08 3.22 0.24 0.00 1.04 -1.26 -4.80 113.70 112.22 3f9m s SER 321 Ca 0.09 1.63 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 3f9m s SER 321 Cb -0.11 -2.28 0.44 0.00 0.10 0.00 0.00 66.02 64.16 3f9m s SER 321 CO -0.01 -2.82 1.69 -0.08 0.98 0.00 0.00 173.24 173.01 3f9m h GLU 322 N -1.67 0.27 -0.35 4.02 4.57 -1.91 -1.42 114.58 118.10 3f9m h GLU 322 Ca -0.49 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.59 3f9m h GLU 322 Cb 1.28 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3f9m h GLU 322 CO 0.52 0.18 -0.12 1.96 -1.18 0.00 0.00 179.01 180.37 3f9m h GLN 323 N 0.28 0.69 -0.07 1.92 4.20 -1.91 -2.18 115.11 118.04 3f9m h GLN 323 Ca 0.40 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.85 3f9m h GLN 323 Cb 0.67 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3f9m h GLN 323 CO -0.49 0.87 0.05 1.25 -0.67 0.00 0.00 178.83 179.84 3f9m h LEU 324 N 0.47 0.02 -1.35 1.46 5.85 -1.59 -0.73 115.31 119.44 3f9m h LEU 324 Ca 0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3f9m h LEU 324 Cb 0.64 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3f9m h LEU 324 CO 0.04 0.02 0.00 0.54 -0.34 0.00 0.00 178.44 178.70 3f9m n ARG 325 N -4.52 1.91 -3.64 1.25 1.74 -0.58 -4.85 116.66 107.97 3f9m n ARG 325 Ca -0.01 -1.21 -0.36 0.00 -0.77 0.00 0.00 57.85 55.50 3f9m n ARG 325 Cb 0.14 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3f9m n ARG 325 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3f9m s THR 326 N -1.60 5.36 0.19 0.55 2.01 -0.28 -5.04 115.64 116.83 3f9m s THR 326 Ca 0.22 0.33 -0.33 0.00 0.31 0.00 0.00 61.69 62.22 3f9m s THR 326 Cb 0.12 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 68.97 3f9m s THR 326 CO 0.14 0.40 1.67 0.54 -0.69 0.00 0.00 174.62 176.67 3f9m n ARG 327 N 3.70 2.52 -0.80 4.92 1.74 -1.26 -1.73 116.66 125.76 3f9m n ARG 327 Ca -0.14 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3f9m n ARG 327 Cb 0.52 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 3f9m n ARG 327 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f9m n GLY 328 N 3.75 1.07 0.20 -0.13 0.00 -1.26 -4.91 105.19 103.91 3f9m n GLY 328 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3f9m n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9m h ALA 329 N 0.00 0.99 -1.86 4.61 0.00 -1.61 -3.34 119.26 118.05 3f9m h ALA 329 Ca 0.00 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 53.93 3f9m h ALA 329 Cb 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.56 3f9m h ALA 329 CO 0.00 0.42 0.51 0.12 0.00 0.00 0.00 179.25 180.30 3f9m s PHE 330 N -3.60 2.95 0.49 0.00 2.19 -1.26 -5.01 117.98 113.74 3f9m s PHE 330 Ca 0.00 -1.00 -0.21 0.00 0.33 0.00 0.00 56.93 56.04 3f9m s PHE 330 Cb 0.11 -4.20 -0.07 0.00 -1.31 0.00 0.00 43.02 37.55 3f9m s PHE 330 CO 0.67 -1.48 1.13 -1.21 1.83 0.00 0.00 175.22 176.17 3f9m s GLU 331 N 3.07 3.66 0.39 10.12 2.02 -1.25 -3.67 118.70 133.03 3f9m s GLU 331 Ca 0.23 1.65 0.07 0.00 0.02 0.00 0.00 54.97 56.94 3f9m s GLU 331 Cb -0.14 -2.24 0.82 0.00 0.10 0.00 0.00 34.13 32.66 3f9m s GLU 331 CO 0.02 -0.61 1.99 1.15 0.02 0.00 0.00 175.26 177.83 3f9m h THR 332 N 1.63 1.03 -0.10 3.63 2.02 -1.90 -0.07 112.91 119.16 3f9m h THR 332 Ca -0.49 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3f9m h THR 332 Cb 1.25 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3f9m h THR 332 CO 0.59 0.12 0.08 0.08 0.37 0.00 0.00 175.52 176.76 3f9m h ARG 333 N 0.65 0.00 -0.24 6.66 0.11 -1.93 -0.65 114.38 118.99 3f9m h ARG 333 Ca 0.26 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.24 3f9m h ARG 333 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 3f9m h ARG 333 CO -0.08 0.00 -0.29 0.74 0.10 0.00 0.00 179.97 180.44 3f9m h PHE 334 N 0.00 0.54 -0.17 4.08 0.04 -1.36 0.92 116.94 120.98 3f9m h PHE 334 Ca 0.05 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.70 3f9m h PHE 334 Cb 0.22 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3f9m h PHE 334 CO 0.00 0.72 0.10 0.28 -0.60 0.00 0.00 178.31 178.81 3f9m h VAL 335 N 0.41 1.02 -0.27 -0.55 2.07 -1.06 0.24 116.25 118.12 3f9m h VAL 335 Ca 0.06 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3f9m h VAL 335 Cb 0.72 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3f9m h VAL 335 CO 0.06 0.04 0.13 0.28 0.02 0.00 0.00 177.57 178.09 3f9m h SER 336 N 0.21 0.18 -0.58 0.57 0.02 -1.19 -1.09 113.55 111.67 3f9m h SER 336 Ca 0.06 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3f9m h SER 336 Cb -0.01 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3f9m h SER 336 CO -0.03 0.14 0.10 1.56 -1.14 0.00 0.00 176.83 177.46 3f9m h GLN 337 N 0.27 0.96 -0.54 3.45 4.20 -0.57 -1.40 115.11 121.48 3f9m h GLN 337 Ca 0.11 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.59 3f9m h GLN 337 Cb 0.04 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3f9m h GLN 337 CO -0.08 0.91 0.33 0.28 -0.67 0.00 0.00 178.83 179.60 3f9m h VAL 338 N 0.86 1.07 0.00 -0.54 2.07 -0.35 -1.47 116.25 117.88 3f9m h VAL 338 Ca 0.18 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3f9m h VAL 338 Cb 0.41 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3f9m h VAL 338 CO 0.01 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 3f9m n GLU 339 N -4.77 0.56 0.00 1.57 1.02 -0.43 -2.16 120.64 116.44 3f9m n GLU 339 Ca 0.04 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 3f9m n GLU 339 Cb 0.07 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.14 3f9m n GLU 339 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3f9m n SER 340 N -1.17 0.85 -4.70 1.62 7.64 -0.57 -4.85 113.62 112.44 3f9m n SER 340 Ca 0.16 -0.67 -0.43 0.00 1.01 0.00 0.00 58.87 58.94 3f9m n SER 340 Cb 0.16 0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 3f9m n SER 340 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3f9m n ASP 341 N -1.24 3.11 0.02 6.43 2.03 -0.92 -4.89 116.55 121.09 3f9m n ASP 341 Ca 0.06 1.16 0.13 0.00 0.52 0.00 0.00 54.79 56.67 3f9m n ASP 341 Cb 0.35 -1.49 0.51 0.00 -0.72 0.00 0.00 41.12 39.77 3f9m n ASP 341 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3f9m n THR 342 N 1.67 0.09 0.00 5.18 -2.24 -1.26 -4.88 114.28 112.84 3f9m n THR 342 Ca 0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3f9m n THR 342 Cb 0.34 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3f9m n THR 342 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f9m n GLY 343 N 1.47 1.62 0.31 3.38 0.00 -1.26 -4.96 105.19 105.75 3f9m n GLY 343 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3f9m n GLY 343 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f9m n ASP 344 N 0.00 0.96 0.00 1.61 5.68 -1.26 -4.92 116.55 118.62 3f9m n ASP 344 Ca 0.00 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 3f9m n ASP 344 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3f9m n ASP 344 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f9m n ARG 345 N -0.23 -0.80 -0.02 0.11 3.00 -1.26 -4.90 116.66 112.55 3f9m n ARG 345 Ca 0.20 0.20 -0.12 0.00 -0.01 0.00 0.00 57.85 58.12 3f9m n ARG 345 Cb 0.26 -4.06 -0.06 0.00 0.00 0.00 0.00 32.46 28.59 3f9m n ARG 345 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3f9m h LYS 346 N 0.65 0.16 -0.78 5.56 1.57 -1.99 0.15 116.57 121.89 3f9m h LYS 346 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3f9m h LYS 346 Cb 0.40 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3f9m h LYS 346 CO 0.00 0.29 0.34 1.96 -0.57 0.00 0.00 179.45 181.47 3f9m h GLN 347 N -0.00 1.15 -0.07 3.15 4.20 -1.92 -1.70 115.11 119.93 3f9m h GLN 347 Ca 0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3f9m h GLN 347 Cb 0.19 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3f9m h GLN 347 CO -0.00 0.91 0.01 0.82 -0.67 0.00 0.00 178.83 179.91 3f9m h ILE 348 N 1.12 1.20 -0.56 2.54 2.04 -1.81 -2.32 117.51 119.72 3f9m h ILE 348 Ca 0.26 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.62 3f9m h ILE 348 Cb 0.17 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 3f9m h ILE 348 CO -0.03 0.17 0.11 0.22 0.00 0.00 0.00 178.15 178.62 3f9m h TYR 349 N -0.12 0.17 -0.45 1.37 3.20 -0.50 -1.75 116.97 118.89 3f9m h TYR 349 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3f9m h TYR 349 Cb 0.26 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3f9m h TYR 349 CO 0.01 -0.03 0.24 -0.91 -1.64 0.00 0.00 178.16 175.83 3f9m h ASN 350 N 0.24 0.57 -0.26 -2.11 2.35 -1.06 0.22 115.58 115.53 3f9m h ASN 350 Ca 0.29 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3f9m h ASN 350 Cb 0.42 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3f9m h ASN 350 CO -0.38 0.51 0.06 0.40 -1.65 0.00 0.00 177.43 176.37 3f9m h ILE 351 N 0.59 0.89 -0.17 2.81 2.04 -1.12 -1.20 117.51 121.35 3f9m h ILE 351 Ca 0.16 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.79 3f9m h ILE 351 Cb 0.07 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3f9m h ILE 351 CO -0.02 0.03 -0.61 -0.07 0.00 0.00 0.00 178.15 177.48 3f9m h LEU 352 N 0.17 0.64 -0.63 1.44 3.38 -0.95 -1.52 115.31 117.85 3f9m h LEU 352 Ca 0.12 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3f9m h LEU 352 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3f9m h LEU 352 CO -0.15 1.10 0.06 -1.28 0.09 0.00 0.00 178.44 178.27 3f9m h SER 353 N 0.42 1.03 0.26 -0.43 0.87 -0.48 -1.04 113.55 114.19 3f9m h SER 353 Ca -0.01 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 3f9m h SER 353 Cb 1.17 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3f9m h SER 353 CO 0.11 1.05 -0.18 0.74 -0.53 0.00 0.00 176.83 178.02 3f9m h THR 354 N 0.97 0.95 -0.07 2.23 2.02 -0.92 0.01 112.91 118.11 3f9m h THR 354 Ca 0.19 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3f9m h THR 354 Cb 0.49 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3f9m h THR 354 CO 0.02 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.27 3f9m n LEU 355 N -4.06 0.90 -0.43 2.58 4.77 -0.60 -4.87 117.00 115.29 3f9m n LEU 355 Ca -0.02 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.45 3f9m n LEU 355 Cb 0.26 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3f9m n LEU 355 CO 0.34 0.19 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 3f9m n GLY 356 N 0.36 0.77 3.93 -0.72 0.00 -0.01 -4.10 105.19 105.42 3f9m n GLY 356 Ca 0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 3f9m n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f9m s LEU 357 N -1.27 3.89 -0.61 0.99 1.43 -0.45 -4.73 118.68 117.93 3f9m s LEU 357 Ca 0.00 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3f9m s LEU 357 Cb 0.00 -2.56 0.24 0.00 0.03 0.00 0.00 46.19 43.90 3f9m s LEU 357 CO 0.00 -0.32 0.69 0.54 0.23 0.00 0.00 176.35 177.49 3f9m n ARG 358 N -1.48 2.18 -2.65 1.70 5.12 -1.26 -4.06 116.66 116.21 3f9m n ARG 358 Ca -0.03 -4.44 -0.40 0.00 -1.93 0.00 0.00 57.85 51.05 3f9m n ARG 358 Cb 0.58 -2.11 -0.05 0.00 -1.16 0.00 0.00 32.46 29.72 3f9m n ARG 358 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3f9m s PRO 359 N -2.17 4.75 0.86 5.56 0.04 -1.26 -5.00 135.00 137.78 3f9m s PRO 359 Ca 0.38 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 3f9m s PRO 359 Cb 0.13 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 31.60 3f9m s PRO 359 CO -0.04 0.38 1.22 -1.54 0.04 0.00 0.00 177.00 177.06 3f9m s SER 360 N -1.11 3.94 0.28 6.66 1.04 -1.26 -4.89 113.70 118.35 3f9m s SER 360 Ca 0.43 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.33 3f9m s SER 360 Cb -0.27 -0.80 0.39 0.00 0.10 0.00 0.00 66.02 65.43 3f9m s SER 360 CO 0.34 -2.23 1.92 0.74 0.98 0.00 0.00 173.24 175.00 3f9m h THR 361 N -1.25 1.17 -0.38 2.02 2.02 -1.99 -1.37 112.91 113.13 3f9m h THR 361 Ca -0.45 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 3f9m h THR 361 Cb 1.29 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3f9m h THR 361 CO 0.53 0.22 -0.21 0.74 0.37 0.00 0.00 175.52 177.16 3f9m h THR 362 N 1.20 1.28 -0.31 3.16 2.02 -1.99 -0.81 112.91 117.47 3f9m h THR 362 Ca 0.38 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 66.25 3f9m h THR 362 Cb 0.00 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3f9m h THR 362 CO -0.11 0.45 0.00 0.44 0.37 0.00 0.00 175.52 176.67 3f9m h ASP 363 N 0.61 -0.12 -0.56 4.18 3.32 -1.83 -0.51 116.42 121.51 3f9m h ASP 363 Ca 0.08 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3f9m h ASP 363 Cb 0.77 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3f9m h ASP 363 CO 0.06 -0.03 0.31 0.00 -1.72 0.00 0.00 179.24 177.87 3f9m h ASP 365 N 0.60 0.97 -0.38 0.00 3.32 -0.64 -1.11 116.42 119.19 3f9m h ASP 365 Ca 0.24 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3f9m h ASP 365 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3f9m h ASP 365 CO -0.14 0.86 -0.14 0.40 -1.72 0.00 0.00 179.24 178.50 3f9m h ILE 366 N 1.05 1.28 -0.97 0.35 2.04 -0.72 -1.06 117.51 119.48 3f9m h ILE 366 Ca 0.25 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3f9m h ILE 366 Cb 0.18 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3f9m h ILE 366 CO -0.02 0.41 0.61 0.58 0.00 0.00 0.00 178.15 179.72 3f9m h VAL 367 N 0.55 1.26 -0.46 1.67 2.07 -0.70 -0.10 116.25 120.54 3f9m h VAL 367 Ca 0.09 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3f9m h VAL 367 Cb 0.67 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3f9m h VAL 367 CO 0.05 0.27 0.23 -0.09 0.02 0.00 0.00 177.57 178.04 3f9m h ARG 368 N 1.33 0.66 -0.65 1.57 9.65 -0.89 -0.08 114.38 125.98 3f9m h ARG 368 Ca 0.35 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 3f9m h ARG 368 Cb -0.09 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 3f9m h ARG 368 CO -0.07 0.56 0.37 0.00 2.80 0.00 0.00 179.97 183.63 3f9m h ARG 369 N 0.61 0.88 -0.35 0.20 2.47 -0.48 0.10 114.38 117.81 3f9m h ARG 369 Ca 0.16 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3f9m h ARG 369 Cb 0.11 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3f9m h ARG 369 CO -0.02 0.63 -0.07 0.00 0.56 0.00 0.00 179.97 181.07 3f9m h ALA 370 N 1.52 0.48 -0.28 0.04 0.00 -0.44 0.09 119.26 120.66 3f9m h ALA 370 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f9m h ALA 370 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3f9m h ALA 370 CO -0.04 0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.70 3f9m h GLU 372 N 0.37 0.94 -0.19 0.00 5.08 -0.63 0.40 114.58 120.55 3f9m h GLU 372 Ca 0.10 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3f9m h GLU 372 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3f9m h GLU 372 CO -0.02 0.72 0.03 0.77 -1.00 0.00 0.00 179.01 179.50 3f9m h SER 373 N 0.95 0.31 -0.29 1.42 0.02 -0.56 0.53 113.55 115.94 3f9m h SER 373 Ca 0.24 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3f9m h SER 373 Cb 0.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3f9m h SER 373 CO -0.03 0.50 -0.09 0.58 -1.14 0.00 0.00 176.83 176.65 3f9m h VAL 374 N 0.11 1.29 -0.02 2.27 2.07 -1.08 -1.88 116.25 119.00 3f9m h VAL 374 Ca 0.06 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.27 3f9m h VAL 374 Cb 0.33 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3f9m h VAL 374 CO 0.00 0.37 -0.71 0.77 0.02 0.00 0.00 177.57 178.02 3f9m h SER 375 N 0.33 0.17 -0.38 0.57 4.64 -0.88 -1.37 113.55 116.63 3f9m h SER 375 Ca 0.07 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3f9m h SER 375 Cb 0.59 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3f9m h SER 375 CO 0.03 0.83 -0.02 0.74 -0.87 0.00 0.00 176.83 177.54 3f9m h THR 376 N 0.09 1.26 -0.71 2.95 2.02 -0.88 -0.44 112.91 117.20 3f9m h THR 376 Ca -0.02 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.14 3f9m h THR 376 Cb 1.26 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 3f9m h THR 376 CO 0.10 0.35 0.47 -0.09 0.37 0.00 0.00 175.52 176.72 3f9m h ARG 377 N 0.50 0.92 -0.29 6.66 2.43 -1.12 0.54 114.38 124.02 3f9m h ARG 377 Ca 0.10 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3f9m h ARG 377 Cb 0.50 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3f9m h ARG 377 CO 0.02 0.61 0.01 0.00 -1.51 0.00 0.00 179.97 179.10 3f9m h ALA 378 N 1.27 0.26 -0.56 2.80 0.00 -1.06 0.20 119.26 122.18 3f9m h ALA 378 Ca 0.27 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3f9m h ALA 378 Cb -0.08 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3f9m h ALA 378 CO -0.07 -0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.14 3f9m h ALA 379 N 1.25 0.71 -0.25 0.00 0.00 -0.49 -0.01 119.26 120.47 3f9m h ALA 379 Ca 0.14 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3f9m h ALA 379 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3f9m h ALA 379 CO -0.23 0.13 -0.34 0.45 0.00 0.00 0.00 179.25 179.25 3f9m h HIS 380 N 0.74 0.82 -0.45 0.00 -0.00 -0.53 -0.12 115.15 115.62 3f9m h HIS 380 Ca 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 3f9m h HIS 380 Cb -0.06 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 3f9m h HIS 380 CO -0.04 1.02 0.29 0.52 -0.00 0.00 0.00 177.93 179.72 3f9m h MET 381 N 0.39 0.59 -0.68 2.45 2.86 -0.49 -1.94 114.93 118.11 3f9m h MET 381 Ca 0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3f9m h MET 381 Cb 0.93 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 3f9m h MET 381 CO 0.08 0.40 0.40 0.00 1.06 0.00 0.00 176.91 178.86 3f9m h SER 383 N 0.94 0.75 -0.57 0.00 4.64 -0.26 -1.72 113.55 117.33 3f9m h SER 383 Ca 0.24 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3f9m h SER 383 Cb -0.03 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 3f9m h SER 383 CO -0.05 0.71 0.23 0.00 -0.87 0.00 0.00 176.83 176.86 3f9m h ALA 384 N 1.40 1.27 0.12 5.18 0.00 -0.87 0.17 119.26 126.53 3f9m h ALA 384 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3f9m h ALA 384 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3f9m h ALA 384 CO -0.01 0.54 -0.06 0.78 0.00 0.00 0.00 179.25 180.50 3f9m h GLY 385 N 0.99 -0.18 0.98 0.00 0.00 -1.20 -1.57 103.07 102.09 3f9m h GLY 385 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 3f9m h GLY 385 CO -0.02 -0.06 0.24 -2.00 0.00 0.00 0.00 176.54 174.70 3f9m h LEU 386 N -0.51 0.72 -1.09 3.11 5.85 -1.20 -1.49 115.31 120.71 3f9m h LEU 386 Ca -0.02 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3f9m h LEU 386 Cb 0.40 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3f9m h LEU 386 CO 0.03 0.67 0.61 0.00 -0.34 0.00 0.00 178.44 179.41 3f9m h ALA 387 N 1.08 1.37 -0.47 1.25 0.00 -0.69 -0.04 119.26 121.76 3f9m h ALA 387 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3f9m h ALA 387 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3f9m h ALA 387 CO -0.02 0.56 0.27 0.78 0.00 0.00 0.00 179.25 180.85 3f9m h GLY 388 N 1.21 0.69 0.96 0.00 0.00 -0.51 0.13 103.07 105.56 3f9m h GLY 388 Ca 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3f9m h GLY 388 CO -0.09 0.29 -0.05 -2.08 0.00 0.00 0.00 176.54 174.61 3f9m h VAL 389 N 0.63 0.92 -0.47 4.60 2.07 -0.61 -0.71 116.25 122.68 3f9m h VAL 389 Ca 0.17 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3f9m h VAL 389 Cb 0.02 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3f9m h VAL 389 CO -0.03 0.02 0.06 0.40 0.02 0.00 0.00 177.57 178.04 3f9m h ILE 390 N -0.18 1.25 -0.83 4.57 2.04 -0.87 -0.26 117.51 123.24 3f9m h ILE 390 Ca -0.01 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3f9m h ILE 390 Cb 0.14 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3f9m h ILE 390 CO 0.02 0.33 0.43 0.78 0.00 0.00 0.00 178.15 179.71 3f9m h ASN 391 N 0.65 1.05 -0.47 1.72 2.35 -0.72 -0.69 115.58 119.47 3f9m h ASN 391 Ca 0.14 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3f9m h ASN 391 Cb 0.42 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3f9m h ASN 391 CO 0.01 0.86 0.30 -0.09 -1.65 0.00 0.00 177.43 176.86 3f9m h ARG 392 N 1.17 0.63 -0.79 0.81 2.43 -0.66 -1.81 114.38 116.16 3f9m h ARG 392 Ca 0.29 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3f9m h ARG 392 Cb 0.07 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3f9m h ARG 392 CO -0.04 0.44 0.36 0.52 -1.51 0.00 0.00 179.97 179.74 3f9m h MET 393 N 0.63 1.16 -0.04 0.20 2.86 -0.52 -0.60 114.93 118.62 3f9m h MET 393 Ca 0.17 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3f9m h MET 393 Cb -0.04 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 3f9m h MET 393 CO -0.03 0.91 0.03 -0.09 1.06 0.00 0.00 176.91 178.78 3f9m h ARG 394 N 1.13 0.05 -0.15 1.72 2.43 -0.94 -1.32 114.38 117.31 3f9m h ARG 394 Ca 0.27 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3f9m h ARG 394 Cb 0.16 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3f9m h ARG 394 CO -0.03 0.03 0.08 1.49 -1.51 0.00 0.00 179.97 180.03 3f9m h GLU 395 N 0.05 0.16 -0.15 0.20 4.81 -1.05 -2.80 114.58 115.80 3f9m h GLU 395 Ca 0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3f9m h GLU 395 Cb -0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3f9m h GLU 395 CO -0.00 0.11 0.11 0.77 -0.73 0.00 0.00 179.01 179.26 3f9m h SER 396 N 0.17 0.00 -1.80 1.04 0.02 -0.79 -3.43 113.55 108.76 3f9m h SER 396 Ca 0.06 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.54 3f9m h SER 396 Cb 0.00 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.60 3f9m h SER 396 CO -0.03 0.00 0.03 -0.13 -1.14 0.00 0.00 176.83 175.56 3f9m s ARG 397 N -5.03 1.95 -0.17 3.45 0.52 -0.53 -5.07 118.95 114.07 3f9m s ARG 397 Ca -0.05 -1.23 0.17 0.00 -0.52 0.00 0.00 55.73 54.10 3f9m s ARG 397 Cb 0.18 -2.44 0.43 0.00 0.52 0.00 0.00 34.95 33.63 3f9m s ARG 397 CO 0.68 -1.19 1.31 -1.13 0.02 0.00 0.00 175.30 174.98 3f9m n SER 398 N -2.61 3.02 -4.48 0.23 3.41 -1.26 -4.91 113.62 107.02 3f9m n SER 398 Ca 0.14 -3.17 -0.28 0.00 -0.26 0.00 0.00 58.87 55.30 3f9m n SER 398 Cb 0.61 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.94 3f9m n SER 398 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3f9m s GLU 399 N -2.92 1.74 0.07 4.33 2.02 -1.26 -5.06 118.70 117.63 3f9m s GLU 399 Ca 0.38 -1.30 0.02 0.00 0.02 0.00 0.00 54.97 54.10 3f9m s GLU 399 Cb 0.33 -2.04 -0.25 0.00 0.10 0.00 0.00 34.13 32.27 3f9m s GLU 399 CO 0.05 0.45 1.12 -0.44 0.02 0.00 0.00 175.26 176.45 3f9m h ASP 400 N 3.44 0.19 -3.25 -0.19 3.45 -1.93 -3.42 116.42 114.72 3f9m h ASP 400 Ca -0.48 -0.23 -0.66 0.00 0.43 0.00 0.00 57.03 56.08 3f9m h ASP 400 Cb 1.19 -0.06 -0.31 0.00 -0.56 0.00 0.00 39.33 39.58 3f9m h ASP 400 CO 0.47 1.18 -0.79 -0.69 -1.57 0.00 0.00 179.24 177.84 3f9m s VAL 401 N -2.67 2.72 -0.23 -1.35 1.01 -1.26 -4.83 120.40 113.80 3f9m s VAL 401 Ca -0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 3f9m s VAL 401 Cb 0.08 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3f9m s VAL 401 CO 0.85 0.49 0.25 -0.32 0.00 0.00 0.00 175.10 176.36 3f9m s MET 402 N 1.22 4.10 -0.28 2.72 1.75 -0.20 -4.96 119.30 123.65 3f9m s MET 402 Ca 0.02 -0.11 -0.09 0.00 -1.25 0.00 0.00 55.69 54.27 3f9m s MET 402 Cb -0.14 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 33.96 3f9m s MET 402 CO -0.06 0.01 0.11 1.03 -0.65 0.00 0.00 175.02 175.47 3f9m s ARG 403 N 1.19 3.51 0.03 4.11 0.52 -1.26 -0.02 118.95 127.04 3f9m s ARG 403 Ca 0.12 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3f9m s ARG 403 Cb -0.14 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 3f9m s ARG 403 CO 0.06 -0.30 0.04 -1.50 0.02 0.00 0.00 175.30 173.62 3f9m s ILE 404 N 1.62 0.14 -0.07 1.52 2.07 -0.40 -4.97 121.20 121.11 3f9m s ILE 404 Ca 0.05 -1.18 0.03 0.00 -1.41 0.00 0.00 60.65 58.15 3f9m s ILE 404 Cb -0.16 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 3f9m s ILE 404 CO 0.05 -0.65 -0.14 -0.89 -1.91 0.00 0.00 174.94 171.41 3f9m s THR 405 N -2.53 3.08 -0.20 4.00 2.01 -0.50 -1.16 115.64 120.34 3f9m s THR 405 Ca -0.06 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 3f9m s THR 405 Cb -0.02 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3f9m s THR 405 CO -0.05 0.58 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 3f9m s VAL 406 N -0.53 3.50 -0.06 3.82 1.01 1.00 -2.34 120.40 126.80 3f9m s VAL 406 Ca 0.07 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 3f9m s VAL 406 Cb -0.12 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 3f9m s VAL 406 CO 0.02 0.44 0.47 -0.83 0.00 0.00 0.00 175.10 175.20 3f9m s GLY 407 N 1.13 2.45 -0.01 4.51 0.00 0.03 -0.86 107.32 114.57 3f9m s GLY 407 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.60 3f9m s GLY 407 CO -0.00 0.57 -0.09 0.14 0.00 0.00 0.00 173.10 173.71 3f9m s VAL 408 N -0.04 0.75 0.22 1.40 1.01 0.17 -0.32 120.40 123.60 3f9m s VAL 408 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3f9m s VAL 408 Cb -0.16 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3f9m s VAL 408 CO 0.12 0.22 0.10 -0.62 0.00 0.00 0.00 175.10 174.92 3f9m s ASP 409 N -0.17 0.73 0.00 3.32 2.15 -0.40 -0.97 116.67 121.33 3f9m s ASP 409 Ca 0.03 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.65 3f9m s ASP 409 Cb -0.04 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 3f9m s ASP 409 CO -0.00 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 3f9m n GLY 410 N -0.35 3.67 0.23 2.66 0.00 -1.26 -0.96 105.19 109.18 3f9m n GLY 410 Ca -0.00 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.57 3f9m n GLY 410 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f9m h SER 411 N 0.00 0.03 0.25 1.61 4.64 -1.85 -0.12 113.55 118.11 3f9m h SER 411 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3f9m h SER 411 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3f9m h SER 411 CO 0.00 0.21 -0.12 0.58 -0.87 0.00 0.00 176.83 176.62 3f9m h VAL 412 N 0.03 0.80 -0.55 0.95 2.07 -1.52 0.44 116.25 118.48 3f9m h VAL 412 Ca 0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3f9m h VAL 412 Cb 0.32 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3f9m h VAL 412 CO 0.02 0.13 0.31 0.22 0.02 0.00 0.00 177.57 178.27 3f9m h TYR 413 N -0.67 0.74 0.03 1.57 3.20 -1.25 -2.23 116.97 118.36 3f9m h TYR 413 Ca -0.03 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.56 3f9m h TYR 413 Cb 0.47 -0.24 0.02 0.00 1.54 0.00 0.00 36.73 38.51 3f9m h TYR 413 CO 0.02 0.54 -1.05 0.87 -1.64 0.00 0.00 178.16 176.90 3f9m h LYS 414 N 0.73 0.57 0.00 1.82 1.57 -1.01 -3.39 116.57 116.86 3f9m h LYS 414 Ca 0.19 -0.65 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3f9m h LYS 414 Cb 0.03 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3f9m h LYS 414 CO -0.03 1.25 -1.74 1.28 -0.57 0.00 0.00 179.45 179.64 3f9m n LEU 415 N -3.79 0.00 -4.73 2.94 4.77 0.14 -4.94 117.00 111.40 3f9m n LEU 415 Ca -0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3f9m n LEU 415 Cb 0.89 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 3f9m n LEU 415 CO 0.55 0.01 1.01 -2.28 -1.33 0.00 0.00 177.39 175.35 3f9m s HIS 416 N -3.09 3.26 0.27 -1.77 2.46 -0.84 -4.88 115.29 110.71 3f9m s HIS 416 Ca -0.06 1.11 0.36 0.00 0.47 0.00 0.00 55.06 56.95 3f9m s HIS 416 Cb 0.10 -3.63 1.82 0.00 -0.13 0.00 0.00 32.58 30.74 3f9m s HIS 416 CO 0.66 -2.07 2.10 -1.00 -2.47 0.00 0.00 174.74 171.96 3f9m h PRO 417 N 6.03 0.00 0.00 2.88 0.13 -1.89 -3.35 132.00 135.81 3f9m h PRO 417 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3f9m h PRO 417 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3f9m h PRO 417 CO 0.81 0.00 -0.05 0.43 -0.23 0.00 0.00 178.00 178.96 3f9m n SER 418 N -2.88 0.25 -0.02 1.44 7.64 -1.26 -4.86 113.62 113.93 3f9m n SER 418 Ca -0.01 -0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 3f9m n SER 418 Cb 0.15 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3f9m n SER 418 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3f9m h PHE 419 N 0.00 -0.54 -0.52 1.43 3.57 -1.88 -1.78 116.94 117.22 3f9m h PHE 419 Ca 0.00 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3f9m h PHE 419 Cb 0.00 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 3f9m h PHE 419 CO 0.00 -0.28 -0.06 -0.22 -2.23 0.00 0.00 178.31 175.52 3f9m h LYS 420 N -0.24 0.06 -0.42 1.11 3.64 -1.80 0.39 116.57 119.31 3f9m h LYS 420 Ca 0.12 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3f9m h LYS 420 Cb 0.41 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3f9m h LYS 420 CO -0.32 0.04 0.07 0.93 -2.27 0.00 0.00 179.45 177.90 3f9m h GLU 421 N 0.06 0.70 -0.37 1.90 3.07 -1.79 0.23 114.58 118.38 3f9m h GLU 421 Ca 0.26 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 3f9m h GLU 421 Cb 0.40 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3f9m h GLU 421 CO -0.48 0.73 -0.21 0.00 -1.40 0.00 0.00 179.01 177.64 3f9m h ARG 422 N 0.55 0.80 -0.02 2.33 3.08 -0.75 -1.87 114.38 118.50 3f9m h ARG 422 Ca 0.13 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 3f9m h ARG 422 Cb 0.37 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3f9m h ARG 422 CO 0.01 0.99 0.01 0.35 -1.07 0.00 0.00 179.97 180.26 3f9m h PHE 423 N 0.59 0.03 -0.67 3.04 3.04 -0.04 -1.64 116.94 121.29 3f9m h PHE 423 Ca 0.08 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3f9m h PHE 423 Cb 0.77 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.24 3f9m h PHE 423 CO 0.06 0.10 0.44 0.45 -2.02 0.00 0.00 178.31 177.34 3f9m h HIS 424 N -0.05 0.86 -0.77 0.41 3.86 -0.48 0.37 115.15 119.34 3f9m h HIS 424 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3f9m h HIS 424 Cb 0.08 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 3f9m h HIS 424 CO -0.05 0.55 0.41 0.00 0.86 0.00 0.00 177.93 179.70 3f9m h ALA 425 N 1.24 0.99 -0.22 2.45 0.00 -1.22 -0.40 119.26 122.10 3f9m h ALA 425 Ca 0.25 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3f9m h ALA 425 Cb -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3f9m h ALA 425 CO -0.05 0.52 -0.46 1.03 0.00 0.00 0.00 179.25 180.29 3f9m h SER 426 N 1.08 0.78 -0.69 0.00 0.87 -0.77 -1.74 113.55 113.08 3f9m h SER 426 Ca 0.27 -0.55 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 3f9m h SER 426 Cb 0.05 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.73 3f9m h SER 426 CO -0.04 1.19 0.41 0.58 -0.53 0.00 0.00 176.83 178.44 3f9m h VAL 427 N 0.41 1.01 -0.39 2.23 2.07 -0.63 -2.16 116.25 118.79 3f9m h VAL 427 Ca 0.01 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3f9m h VAL 427 Cb 1.06 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3f9m h VAL 427 CO 0.10 0.14 -0.11 0.03 0.02 0.00 0.00 177.57 177.75 3f9m h ARG 428 N 0.76 0.69 0.00 1.57 3.08 -0.85 -0.27 114.38 119.36 3f9m h ARG 428 Ca 0.30 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3f9m h ARG 428 Cb 0.13 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3f9m h ARG 428 CO -0.16 0.78 -0.14 0.00 -1.07 0.00 0.00 179.97 179.39 3f9m h ARG 429 N 0.63 0.00 -0.01 0.04 3.08 -0.83 -2.56 114.38 114.73 3f9m h ARG 429 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3f9m h ARG 429 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3f9m h ARG 429 CO 0.03 0.14 -0.28 1.28 -1.07 0.00 0.00 179.97 180.07 3f9m n LEU 430 N -4.25 1.33 -2.98 3.04 4.77 -0.22 -4.47 117.00 114.23 3f9m n LEU 430 Ca -0.03 -0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 55.33 3f9m n LEU 430 Cb 0.21 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3f9m n LEU 430 CO 0.35 0.24 -0.03 0.35 -1.33 0.00 0.00 177.39 176.97 3f9m n THR 431 N -0.40 1.44 -1.67 -5.08 -2.24 -0.58 -4.95 114.28 100.81 3f9m n THR 431 Ca 0.12 -4.86 -0.39 0.00 -2.27 0.00 0.00 64.05 56.65 3f9m n THR 431 Cb 0.38 -0.70 0.03 0.00 -2.10 0.00 0.00 70.33 67.94 3f9m n THR 431 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3f9m n PRO 432 N -0.03 1.42 -1.11 -0.78 -0.02 -1.26 -2.13 135.00 131.09 3f9m n PRO 432 Ca 0.27 0.52 -0.04 0.00 -2.02 0.00 0.00 63.50 62.23 3f9m n PRO 432 Cb 0.57 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3f9m n PRO 432 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3f9m n SER 433 N -0.37 -4.15 -4.28 2.55 7.64 -1.26 -5.00 113.62 108.74 3f9m n SER 433 Ca 0.10 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.79 3f9m n SER 433 Cb 0.43 -2.00 -0.16 0.00 -1.01 0.00 0.00 64.21 61.48 3f9m n SER 433 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f9m s GLU 435 N -0.67 2.42 -0.22 0.00 2.02 0.98 -4.93 118.70 118.29 3f9m s GLU 435 Ca 0.09 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 3f9m s GLU 435 Cb -0.09 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 3f9m s GLU 435 CO -0.00 -0.68 -0.03 0.42 0.02 0.00 0.00 175.26 174.98 3f9m s ILE 436 N 1.27 3.45 -0.16 -1.63 1.01 -1.26 -1.28 121.20 122.61 3f9m s ILE 436 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 3f9m s ILE 436 Cb -0.20 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3f9m s ILE 436 CO -0.01 0.41 0.23 -0.89 0.00 0.00 0.00 174.94 174.68 3f9m s THR 437 N 1.49 5.35 -0.17 2.92 2.01 -0.31 -4.99 115.64 121.94 3f9m s THR 437 Ca 0.06 0.41 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 3f9m s THR 437 Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3f9m s THR 437 CO -0.03 0.45 0.01 -0.36 -0.69 0.00 0.00 174.62 174.00 3f9m s PHE 438 N 0.11 3.12 -0.03 4.92 0.40 -1.26 -0.00 117.98 125.24 3f9m s PHE 438 Ca 0.14 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 3f9m s PHE 438 Cb -0.12 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 3f9m s PHE 438 CO 0.03 0.04 -0.19 0.42 0.70 0.00 0.00 175.22 176.22 3f9m s ILE 439 N 0.39 1.53 -0.03 0.64 1.01 -0.04 -4.96 121.20 119.75 3f9m s ILE 439 Ca -0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 3f9m s ILE 439 Cb -0.13 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3f9m s ILE 439 CO 0.02 0.44 0.69 -1.61 0.00 0.00 0.00 174.94 174.48 3f9m s GLU 440 N -0.16 4.43 0.54 2.79 2.02 -1.26 -0.65 118.70 126.40 3f9m s GLU 440 Ca 0.00 0.89 -0.18 0.00 0.02 0.00 0.00 54.97 55.70 3f9m s GLU 440 Cb -0.10 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.65 3f9m s GLU 440 CO 0.01 0.17 1.06 -1.54 0.02 0.00 0.00 175.26 174.98 3f9m s SER 441 N 0.44 6.04 -0.24 -0.19 1.04 -0.14 -4.86 113.70 115.79 3f9m s SER 441 Ca 0.36 1.92 -0.01 0.00 0.48 0.00 0.00 55.95 58.70 3f9m s SER 441 Cb -0.18 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.41 3f9m s SER 441 CO 0.19 -0.99 -0.09 -0.70 0.98 0.00 0.00 173.24 172.63 3f9m s GLU 442 N -3.57 2.85 -1.60 4.02 -6.30 -1.26 -4.61 118.70 108.23 3f9m s GLU 442 Ca 0.67 -0.96 -0.12 0.00 -2.50 0.00 0.00 54.97 52.06 3f9m s GLU 442 Cb -0.17 -2.91 0.10 0.00 0.00 0.00 0.00 34.13 31.14 3f9m s GLU 442 CO 0.27 -0.37 0.63 0.39 0.02 0.00 0.00 175.26 176.21 3f9m n GLU 443 N 4.65 -3.13 -0.18 4.30 -0.58 -1.26 -4.85 120.64 119.59 3f9m n GLU 443 Ca -0.17 0.37 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 3f9m n GLU 443 Cb 0.47 -4.84 0.03 0.00 -0.57 0.00 0.00 31.44 26.54 3f9m n GLU 443 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3f9m h GLY 444 N -1.64 0.77 0.98 0.62 0.00 -1.90 -0.63 103.07 101.28 3f9m h GLY 444 Ca -0.61 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 3f9m h GLY 444 CO 0.73 0.25 -0.17 1.48 0.00 0.00 0.00 176.54 178.83 3f9m h SER 445 N 0.70 -0.40 -0.33 0.19 4.64 -1.88 0.17 113.55 116.64 3f9m h SER 445 Ca 0.21 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3f9m h SER 445 Cb -0.04 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3f9m h SER 445 CO -0.07 -0.27 -0.08 1.23 -0.87 0.00 0.00 176.83 176.78 3f9m h GLY 446 N -0.49 0.69 0.95 -0.77 0.00 -1.87 -0.77 103.07 100.80 3f9m h GLY 446 Ca -0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.53 3f9m h GLY 446 CO 0.08 0.52 -0.69 3.21 0.00 0.00 0.00 176.54 179.66 3f9m h ARG 447 N 0.41 0.55 -0.34 4.80 3.08 -1.12 -2.32 114.38 119.45 3f9m h ARG 447 Ca 0.08 -0.53 0.02 0.00 0.07 0.00 0.00 59.98 59.62 3f9m h ARG 447 Cb 0.58 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3f9m h ARG 447 CO 0.03 1.16 0.19 0.78 -1.07 0.00 0.00 179.97 181.06 3f9m h GLY 448 N 0.15 0.46 0.96 0.04 0.00 -0.67 -0.37 103.07 103.63 3f9m h GLY 448 Ca -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3f9m h GLY 448 CO 0.14 0.12 0.46 0.00 0.00 0.00 0.00 176.54 177.25 3f9m h ALA 449 N 1.16 0.90 -0.77 3.60 0.00 -1.16 -1.31 119.26 121.67 3f9m h ALA 449 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3f9m h ALA 449 Cb 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3f9m h ALA 449 CO -0.07 0.28 0.50 0.00 0.00 0.00 0.00 179.25 179.96 3f9m h ALA 450 N 1.27 0.98 -0.49 0.00 0.00 -1.18 0.27 119.26 120.11 3f9m h ALA 450 Ca 0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3f9m h ALA 450 Cb -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3f9m h ALA 450 CO -0.07 0.41 -0.10 -0.07 0.00 0.00 0.00 179.25 179.42 3f9m h LEU 451 N 1.05 0.93 -0.37 0.00 3.38 -0.70 0.29 115.31 119.89 3f9m h LEU 451 Ca 0.28 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3f9m h LEU 451 Cb -0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3f9m h LEU 451 CO -0.06 1.07 0.09 0.58 0.09 0.00 0.00 178.44 180.21 3f9m h VAL 452 N 0.78 1.22 -0.73 1.22 2.07 -1.12 -2.94 116.25 116.76 3f9m h VAL 452 Ca 0.13 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3f9m h VAL 452 Cb 0.65 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3f9m h VAL 452 CO 0.04 0.26 0.48 0.28 0.02 0.00 0.00 177.57 178.65 3f9m h SER 453 N 0.45 0.77 0.66 0.57 0.02 -0.48 0.24 113.55 115.78 3f9m h SER 453 Ca 0.12 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3f9m h SER 453 Cb 0.30 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3f9m h SER 453 CO 0.00 0.54 -0.19 0.00 -1.14 0.00 0.00 176.83 176.04 3f9m h ALA 454 N 1.57 1.14 0.09 3.77 0.00 -0.26 0.11 119.26 125.67 3f9m h ALA 454 Ca 0.28 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 3f9m h ALA 454 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3f9m h ALA 454 CO -0.08 0.24 -1.50 0.28 0.00 0.00 0.00 179.25 178.19 3f9m h VAL 455 N 0.00 0.91 -0.76 0.00 2.07 -1.22 0.33 116.25 117.59 3f9m h VAL 455 Ca -0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3f9m h VAL 455 Cb 0.57 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 3f9m h VAL 455 CO 0.02 0.66 0.48 0.00 0.02 0.00 0.00 177.57 178.76 3f9m h ALA 456 N -0.12 0.97 0.00 1.67 0.00 -0.21 -2.78 119.26 118.78 3f9m h ALA 456 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3f9m h ALA 456 Cb 1.71 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3f9m h ALA 456 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66