#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fw3 n ASP 33 N 0.00 2.27 -4.75 -1.12 8.00 -1.26 -5.00 116.55 114.68 2fw3 n ASP 33 Ca 0.00 -3.04 -0.36 0.00 0.71 0.00 0.00 54.79 52.11 2fw3 n ASP 33 Cb 0.00 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.60 2fw3 n ASP 33 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2fw3 s TYR 34 N -2.76 3.33 -2.12 1.24 2.02 -1.26 -4.60 117.35 113.20 2fw3 s TYR 34 Ca 0.30 0.31 0.21 0.00 -0.37 0.00 0.00 57.07 57.52 2fw3 s TYR 34 Cb 0.27 -1.86 0.42 0.00 -0.40 0.00 0.00 41.96 40.38 2fw3 s TYR 34 CO 0.03 0.55 1.36 1.47 -1.57 0.00 0.00 175.55 177.39 2fw3 n LEU 35 N 2.18 3.38 -3.58 -1.29 -0.00 -1.26 -4.92 117.00 111.51 2fw3 n LEU 35 Ca -0.19 -1.61 -0.16 0.00 -0.00 0.00 0.00 56.01 54.05 2fw3 n LEU 35 Cb 0.54 -0.27 -0.06 0.00 -0.00 0.00 0.00 43.42 43.63 2fw3 n LEU 35 CO 0.30 0.76 0.32 -1.58 -0.00 0.00 0.00 177.39 177.19 2fw3 s GLN 36 N -1.30 0.98 -0.32 1.47 0.74 -1.26 -5.03 119.66 114.94 2fw3 s GLN 36 Ca 0.37 0.05 0.12 0.00 0.05 0.00 0.00 55.36 55.95 2fw3 s GLN 36 Cb 0.21 0.46 0.46 0.00 1.10 0.00 0.00 33.01 35.24 2fw3 s GLN 36 CO 0.29 -0.32 1.13 0.72 -0.55 0.00 0.00 175.29 176.56 2fw3 n HIS 37 N 0.85 2.34 -1.64 1.67 8.25 -1.18 -4.54 115.22 120.96 2fw3 n HIS 37 Ca -0.19 -2.45 -0.46 0.00 -0.26 0.00 0.00 57.72 54.36 2fw3 n HIS 37 Cb 0.58 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 2fw3 n HIS 37 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2fw3 n SER 38 N -0.56 2.21 0.02 0.41 2.88 -0.27 -4.94 113.62 113.38 2fw3 n SER 38 Ca 0.30 1.15 -0.07 0.00 -1.33 0.00 0.00 58.87 58.91 2fw3 n SER 38 Cb 0.85 -1.35 -0.12 0.00 -0.75 0.00 0.00 64.21 62.83 2fw3 n SER 38 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2fw3 h ILE 39 N 2.84 1.23 -3.36 2.46 3.07 -1.90 -3.43 117.51 118.42 2fw3 h ILE 39 Ca -0.44 -3.00 -0.54 0.00 1.55 0.00 0.00 64.86 62.44 2fw3 h ILE 39 Cb 1.30 2.60 -0.01 0.00 -0.27 0.00 0.00 36.82 40.44 2fw3 h ILE 39 CO 0.72 0.70 0.43 -0.69 -1.05 0.00 0.00 178.15 178.27 2fw3 s VAL 40 N -2.67 4.57 0.45 0.16 1.01 -1.26 -4.98 120.40 117.67 2fw3 s VAL 40 Ca -0.02 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.59 2fw3 s VAL 40 Cb 0.09 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2fw3 s VAL 40 CO 0.82 0.16 1.32 -2.84 0.00 0.00 0.00 175.10 174.56 2fw3 s PRO 41 N 0.92 3.74 0.36 2.72 0.02 -1.26 -4.74 135.00 136.76 2fw3 s PRO 41 Ca 0.54 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.83 2fw3 s PRO 41 Cb -0.24 -2.60 0.88 0.00 0.02 0.00 0.00 34.50 32.55 2fw3 s PRO 41 CO 0.29 -0.68 1.82 1.15 -0.33 0.00 0.00 177.00 179.25 2fw3 h THR 42 N 2.18 0.73 -0.33 0.99 2.02 -1.61 -2.36 112.91 114.52 2fw3 h THR 42 Ca -0.50 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2fw3 h THR 42 Cb 1.26 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2fw3 h THR 42 CO 0.61 0.11 0.00 0.23 0.37 0.00 0.00 175.52 176.84 2fw3 n MET 43 N -4.62 2.40 -0.55 6.66 2.81 -1.26 -4.30 117.12 118.25 2fw3 n MET 43 Ca 0.21 -2.19 0.43 0.00 -1.81 0.00 0.00 57.70 54.34 2fw3 n MET 43 Cb 0.60 -1.48 0.68 0.00 -0.71 0.00 0.00 33.22 32.31 2fw3 n MET 43 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2fw3 n HIS 44 N 1.39 0.24 0.69 2.03 -0.00 -0.89 -1.25 115.22 117.43 2fw3 n HIS 44 Ca 0.18 0.25 0.09 0.00 -0.00 0.00 0.00 57.72 58.23 2fw3 n HIS 44 Cb 0.58 -0.68 -0.12 0.00 -0.00 0.00 0.00 29.99 29.77 2fw3 n HIS 44 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2fw3 n TYR 45 N -4.01 0.00 -0.17 1.57 4.01 -1.26 -4.29 117.16 113.01 2fw3 n TYR 45 Ca 0.38 0.00 0.24 0.00 -0.16 0.00 0.00 57.90 58.37 2fw3 n TYR 45 Cb 1.64 -0.10 0.65 0.00 -0.31 0.00 0.00 39.34 41.23 2fw3 n TYR 45 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2fw3 h GLN 46 N 0.00 0.12 0.00 -0.72 1.08 -1.50 -1.82 115.11 112.27 2fw3 h GLN 46 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2fw3 h GLN 46 Cb 0.54 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2fw3 h GLN 46 CO 0.00 0.08 -0.10 -0.44 -0.95 0.00 0.00 178.83 177.42 2fw3 h ASP 47 N 0.12 0.00 -0.11 1.46 3.32 -1.77 -3.33 116.42 116.11 2fw3 h ASP 47 Ca 0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 2fw3 h ASP 47 Cb 1.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2fw3 h ASP 47 CO -0.06 0.10 -0.03 -1.54 -1.72 0.00 0.00 179.24 176.00 2fw3 n SER 48 N -3.13 2.88 -4.77 6.45 3.41 -0.69 -4.84 113.62 112.94 2fw3 n SER 48 Ca 0.04 -3.13 -0.40 0.00 -0.26 0.00 0.00 58.87 55.11 2fw3 n SER 48 Cb 0.56 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 2fw3 n SER 48 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fw3 s LEU 49 N -2.90 4.18 0.80 1.04 1.43 -1.18 -4.64 118.68 117.41 2fw3 s LEU 49 Ca 0.37 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 56.16 2fw3 s LEU 49 Cb 0.31 -3.89 0.07 0.00 0.03 0.00 0.00 46.19 42.71 2fw3 s LEU 49 CO 0.05 -0.99 1.10 -2.16 0.23 0.00 0.00 176.35 174.57 2fw3 s PRO 50 N -2.32 2.07 0.26 1.29 0.04 -1.26 -4.52 135.00 130.56 2fw3 s PRO 50 Ca 0.58 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2fw3 s PRO 50 Cb -0.41 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2fw3 s PRO 50 CO 0.53 -1.62 0.95 1.03 0.04 0.00 0.00 177.00 177.93 2fw3 s ARG 51 N -5.18 4.79 -0.01 4.56 0.52 -1.26 -0.36 118.95 122.02 2fw3 s ARG 51 Ca 0.61 1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 56.98 2fw3 s ARG 51 Cb -0.14 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 2fw3 s ARG 51 CO 0.54 0.46 1.99 -0.11 0.02 0.00 0.00 175.30 178.20 2fw3 n LEU 52 N 1.29 3.97 -4.78 2.53 7.94 -1.26 -4.86 117.00 121.83 2fw3 n LEU 52 Ca -0.01 0.84 -0.35 0.00 -1.11 0.00 0.00 56.01 55.37 2fw3 n LEU 52 Cb 0.48 -1.51 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 2fw3 n LEU 52 CO 0.49 0.08 0.75 -2.84 -1.11 0.00 0.00 177.39 174.76 2fw3 s PRO 53 N 4.62 3.79 -0.21 1.96 0.02 -1.26 -4.73 135.00 139.19 2fw3 s PRO 53 Ca 0.91 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 2fw3 s PRO 53 Cb -0.46 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 2fw3 s PRO 53 CO 0.43 -0.46 0.37 0.42 -0.33 0.00 0.00 177.00 177.43 2fw3 s ILE 54 N -1.79 5.21 0.74 2.83 1.01 -1.26 -4.85 121.20 123.09 2fw3 s ILE 54 Ca 0.65 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.82 2fw3 s ILE 54 Cb -0.21 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.60 2fw3 s ILE 54 CO 0.26 0.25 1.11 -2.84 0.00 0.00 0.00 174.94 173.72 2fw3 s PRO 55 N 1.40 2.34 0.57 2.79 0.02 -1.26 -5.00 135.00 135.85 2fw3 s PRO 55 Ca 0.17 1.34 -0.17 0.00 0.02 0.00 0.00 61.00 62.36 2fw3 s PRO 55 Cb -0.15 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2fw3 s PRO 55 CO 0.08 -1.60 1.07 0.15 -0.33 0.00 0.00 177.00 176.36 2fw3 s LYS 56 N -4.49 3.37 0.17 5.54 1.02 -1.26 -4.97 119.74 119.13 2fw3 s LYS 56 Ca 0.65 1.31 -0.01 0.00 0.02 0.00 0.00 55.97 57.94 2fw3 s LYS 56 Cb -0.20 -2.03 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 2fw3 s LYS 56 CO 0.50 -0.78 1.40 1.25 -0.92 0.00 0.00 175.35 176.80 2fw3 h LEU 57 N 0.74 0.42 -1.20 3.17 5.85 -1.99 -2.88 115.31 119.42 2fw3 h LEU 57 Ca -0.48 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.01 2fw3 h LEU 57 Cb 1.23 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2fw3 h LEU 57 CO 0.57 1.06 0.57 -0.08 -0.34 0.00 0.00 178.44 180.22 2fw3 h GLU 58 N 0.22 0.92 0.24 1.25 4.81 -1.95 -2.33 114.58 117.74 2fw3 h GLU 58 Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2fw3 h GLU 58 Cb 1.39 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2fw3 h GLU 58 CO 0.13 0.61 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.47 2fw3 h ASP 59 N 0.95 -0.28 -0.97 1.04 3.32 -1.91 -2.53 116.42 116.05 2fw3 h ASP 59 Ca 0.38 -0.25 0.29 0.00 0.02 0.00 0.00 57.03 57.47 2fw3 h ASP 59 Cb 0.25 0.07 -0.14 0.00 0.22 0.00 0.00 39.33 39.73 2fw3 h ASP 59 CO -0.14 0.16 0.48 0.74 -1.72 0.00 0.00 179.24 178.76 2fw3 h THR 60 N -0.80 0.34 -0.23 0.35 2.02 -1.51 0.38 112.91 113.46 2fw3 h THR 60 Ca -0.03 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 2fw3 h THR 60 Cb 0.51 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2fw3 h THR 60 CO 0.05 0.06 -0.53 0.24 0.37 0.00 0.00 175.52 175.71 2fw3 h MET 61 N 0.33 0.77 -0.00 6.66 2.86 -1.30 0.18 114.93 124.43 2fw3 h MET 61 Ca 0.67 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2fw3 h MET 61 Cb 1.44 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 2fw3 h MET 61 CO -0.60 1.14 -0.02 0.87 1.06 0.00 0.00 176.91 179.36 2fw3 h LYS 62 N 0.51 -0.03 -0.86 1.72 1.57 -0.70 0.08 116.57 118.86 2fw3 h LYS 62 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2fw3 h LYS 62 Cb 1.15 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 2fw3 h LYS 62 CO 0.12 -0.02 0.55 0.00 -0.57 0.00 0.00 179.45 179.53 2fw3 h ARG 63 N -0.03 1.15 -0.54 3.15 3.08 -0.28 0.23 114.38 121.13 2fw3 h ARG 63 Ca 0.01 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2fw3 h ARG 63 Cb 0.04 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2fw3 h ARG 63 CO -0.02 0.78 0.29 -0.92 -1.07 0.00 0.00 179.97 179.03 2fw3 h TYR 64 N 1.17 0.53 0.00 3.04 3.20 -0.31 -2.36 116.97 122.25 2fw3 h TYR 64 Ca 0.31 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 2fw3 h TYR 64 Cb -0.10 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2fw3 h TYR 64 CO -0.01 0.27 -0.75 -0.07 -1.64 0.00 0.00 178.16 175.96 2fw3 h LEU 65 N 0.56 0.00 -0.57 2.82 3.38 -0.14 -2.31 115.31 119.05 2fw3 h LEU 65 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2fw3 h LEU 65 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2fw3 h LEU 65 CO -0.15 0.75 0.11 0.78 0.09 0.00 0.00 178.44 180.02 2fw3 h ASN 66 N 0.00 0.88 0.20 -0.43 2.35 -0.47 -1.95 115.58 116.16 2fw3 h ASN 66 Ca -0.01 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 2fw3 h ASN 66 Cb 1.53 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 2fw3 h ASN 66 CO 0.10 0.91 -0.31 0.00 -1.65 0.00 0.00 177.43 176.47 2fw3 h ALA 67 N 1.01 1.31 -0.01 -0.83 0.00 -1.21 -2.97 119.26 116.56 2fw3 h ALA 67 Ca 0.18 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2fw3 h ALA 67 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2fw3 h ALA 67 CO 0.01 0.48 -0.83 1.96 0.00 0.00 0.00 179.25 180.86 2fw3 h GLN 68 N 0.15 0.19 -0.63 0.00 1.08 -1.22 -3.39 115.11 111.29 2fw3 h GLN 68 Ca 0.02 -0.20 0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2fw3 h GLN 68 Cb 0.63 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 28.00 2fw3 h GLN 68 CO 0.05 0.92 -0.05 0.87 -0.95 0.00 0.00 178.83 179.66 2fw3 h LYS 69 N 0.11 0.07 0.00 1.46 1.79 -1.19 0.17 116.57 118.99 2fw3 h LYS 69 Ca -0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2fw3 h LYS 69 Cb 1.44 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2fw3 h LYS 69 CO 0.13 0.05 0.00 -1.00 -1.08 0.00 0.00 179.45 177.54 2fw3 h PRO 70 N 0.07 0.00 0.01 3.15 0.13 -1.75 -3.36 132.00 130.25 2fw3 h PRO 70 Ca 0.32 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 65.06 2fw3 h PRO 70 Cb 0.52 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 2fw3 h PRO 70 CO -0.58 0.00 -2.42 1.28 -0.23 0.00 0.00 178.00 176.05 2fw3 n LEU 71 N -2.55 2.72 -4.82 1.56 4.77 -0.02 -4.94 117.00 113.73 2fw3 n LEU 71 Ca 0.02 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 2fw3 n LEU 71 Cb 0.27 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 2fw3 n LEU 71 CO 0.23 0.85 0.71 -0.76 -1.33 0.00 0.00 177.39 177.08 2fw3 s LEU 72 N -6.79 3.56 0.83 2.23 1.43 -0.80 -5.02 118.68 114.11 2fw3 s LEU 72 Ca -0.34 1.74 -0.07 0.00 -1.03 0.00 0.00 54.13 54.43 2fw3 s LEU 72 Cb 0.10 -4.53 0.16 0.00 0.03 0.00 0.00 46.19 41.95 2fw3 s LEU 72 CO 0.60 -0.95 1.13 1.51 0.23 0.00 0.00 176.35 178.87 2fw3 s ASP 73 N -2.83 3.79 0.14 2.29 1.47 -1.26 -4.88 116.67 115.39 2fw3 s ASP 73 Ca 0.62 -0.16 -0.31 0.00 1.18 0.00 0.00 52.55 53.89 2fw3 s ASP 73 Cb -0.14 -0.05 -0.06 0.00 -0.34 0.00 0.00 42.92 42.32 2fw3 s ASP 73 CO 0.34 -2.25 1.55 0.44 0.68 0.00 0.00 175.17 175.93 2fw3 h ASP 74 N -1.00 -1.76 0.38 2.11 5.19 -1.98 -1.80 116.42 117.57 2fw3 h ASP 74 Ca -0.39 0.25 -0.22 0.00 -0.62 0.00 0.00 57.03 56.04 2fw3 h ASP 74 Cb 1.25 0.74 0.00 0.00 0.18 0.00 0.00 39.33 41.50 2fw3 h ASP 74 CO 0.38 -0.38 -0.95 0.77 -3.12 0.00 0.00 179.24 175.94 2fw3 h SER 75 N -0.34 0.49 -0.91 6.45 4.64 -2.00 -2.46 113.55 119.44 2fw3 h SER 75 Ca 0.11 -0.40 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2fw3 h SER 75 Cb 0.58 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.45 2fw3 h SER 75 CO -0.63 1.21 0.57 1.56 -0.87 0.00 0.00 176.83 178.66 2fw3 h GLN 76 N 0.21 0.98 -0.44 4.77 4.20 -1.92 -1.41 115.11 121.49 2fw3 h GLN 76 Ca -0.08 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 2fw3 h GLN 76 Cb 1.59 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2fw3 h GLN 76 CO 0.16 0.65 0.01 0.35 -0.67 0.00 0.00 178.83 179.33 2fw3 h PHE 77 N 1.01 0.84 0.12 2.96 3.57 -0.96 -2.15 116.94 122.32 2fw3 h PHE 77 Ca 0.41 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.78 2fw3 h PHE 77 Cb 0.23 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2fw3 h PHE 77 CO -0.02 0.82 -0.40 0.00 -2.23 0.00 0.00 178.31 176.48 2fw3 h ARG 78 N 0.62 -0.61 -0.29 1.11 2.47 -1.11 -1.88 114.38 114.70 2fw3 h ARG 78 Ca 0.13 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 2fw3 h ARG 78 Cb 0.48 0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 28.86 2fw3 h ARG 78 CO 0.02 -0.40 -0.32 -0.09 0.56 0.00 0.00 179.97 179.74 2fw3 h ARG 79 N -0.63 -0.30 -0.88 0.04 1.12 -1.05 -1.37 114.38 111.32 2fw3 h ARG 79 Ca 0.02 0.02 0.07 0.00 -1.11 0.00 0.00 59.98 58.99 2fw3 h ARG 79 Cb 0.66 0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 30.62 2fw3 h ARG 79 CO -0.23 -0.20 0.54 1.15 -3.11 0.00 0.00 179.97 178.12 2fw3 h THR 80 N -0.31 1.01 -0.50 0.20 2.02 -1.13 -1.96 112.91 112.24 2fw3 h THR 80 Ca 0.14 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 2fw3 h THR 80 Cb 0.54 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2fw3 h THR 80 CO -0.46 0.18 0.04 -0.08 0.37 0.00 0.00 175.52 175.57 2fw3 h GLU 81 N 0.96 0.81 -0.44 6.66 4.81 -0.44 -1.16 114.58 125.79 2fw3 h GLU 81 Ca 0.39 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 2fw3 h GLU 81 Cb 0.23 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2fw3 h GLU 81 CO -0.19 0.79 0.12 0.00 -0.73 0.00 0.00 179.01 179.00 2fw3 h ALA 82 N 1.28 0.50 -0.38 2.92 0.00 -0.80 -1.40 119.26 121.37 2fw3 h ALA 82 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2fw3 h ALA 82 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fw3 h ALA 82 CO 0.01 -0.28 0.14 -0.07 0.00 0.00 0.00 179.25 179.06 2fw3 h LEU 83 N 0.27 0.54 -2.06 0.00 3.38 -1.22 -1.37 115.31 114.84 2fw3 h LEU 83 Ca 0.21 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2fw3 h LEU 83 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2fw3 h LEU 83 CO -0.25 0.57 0.09 0.00 0.09 0.00 0.00 178.44 178.94 2fw3 h LYS 85 N 0.00 0.18 0.19 0.00 3.64 -0.38 -1.98 116.57 118.22 2fw3 h LYS 85 Ca 0.05 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2fw3 h LYS 85 Cb 0.22 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2fw3 h LYS 85 CO -0.00 0.82 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.62 2fw3 h ASN 86 N -0.41 -1.37 -0.87 4.20 2.35 -0.29 -2.23 115.58 116.96 2fw3 h ASN 86 Ca -0.01 0.14 0.15 0.00 -0.55 0.00 0.00 56.30 56.03 2fw3 h ASN 86 Cb 0.86 0.50 -0.07 0.00 0.05 0.00 0.00 38.32 39.66 2fw3 h ASN 86 CO 0.04 -0.54 0.57 0.15 -1.65 0.00 0.00 177.43 175.99 2fw3 h PHE 87 N -0.75 0.76 -0.21 1.19 3.57 -0.96 0.47 116.94 121.01 2fw3 h PHE 87 Ca -0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2fw3 h PHE 87 Cb 0.74 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2fw3 h PHE 87 CO -0.37 0.28 -0.47 1.49 -2.23 0.00 0.00 178.31 177.01 2fw3 h GLU 88 N 0.64 0.55 -0.01 1.11 4.81 -0.74 0.14 114.58 121.09 2fw3 h GLU 88 Ca 0.44 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2fw3 h GLU 88 Cb 0.76 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2fw3 h GLU 88 CO -0.19 0.90 -0.02 0.25 -0.73 0.00 0.00 179.01 179.22 2fw3 n THR 89 N -4.00 0.00 0.00 0.32 -2.24 -1.07 -3.69 114.28 103.61 2fw3 n THR 89 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2fw3 n THR 89 Cb 0.55 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 2fw3 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fw3 n GLY 90 N 0.35 0.85 0.23 3.38 0.00 0.16 -4.80 105.19 105.36 2fw3 n GLY 90 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2fw3 n GLY 90 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2fw3 h VAL 91 N 0.00 1.15 -0.46 1.61 3.04 -1.69 -2.59 116.25 117.30 2fw3 h VAL 91 Ca 0.00 -0.31 0.09 0.00 -1.01 0.00 0.00 66.70 65.48 2fw3 h VAL 91 Cb 0.00 0.37 -0.09 0.00 -2.01 0.00 0.00 31.29 29.56 2fw3 h VAL 91 CO 0.00 0.15 -0.16 1.23 -1.01 0.00 0.00 177.57 177.78 2fw3 h GLY 92 N 0.74 0.23 0.19 3.17 0.00 -1.02 0.19 103.07 106.58 2fw3 h GLY 92 Ca 0.20 0.21 0.18 0.00 0.00 0.00 0.00 47.33 47.92 2fw3 h GLY 92 CO -0.04 -0.20 0.61 1.70 0.00 0.00 0.00 176.54 178.62 2fw3 h LYS 93 N -0.06 0.72 0.05 4.80 3.64 -0.99 -1.11 116.57 123.62 2fw3 h LYS 93 Ca 0.22 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.32 2fw3 h LYS 93 Cb 0.40 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2fw3 h LYS 93 CO -0.51 0.47 -1.04 0.93 -2.27 0.00 0.00 179.45 177.04 2fw3 h GLU 94 N 0.74 0.33 -0.64 1.90 4.39 -1.03 -2.29 114.58 117.98 2fw3 h GLU 94 Ca 0.55 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2fw3 h GLU 94 Cb 0.89 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2fw3 h GLU 94 CO -0.34 1.13 0.24 -0.07 -1.16 0.00 0.00 179.01 178.81 2fw3 h LEU 95 N 0.16 0.88 -0.18 1.33 3.38 -0.57 -2.86 115.31 117.45 2fw3 h LEU 95 Ca -0.09 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2fw3 h LEU 95 Cb 1.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2fw3 h LEU 95 CO 0.17 0.80 -0.04 -0.74 0.09 0.00 0.00 178.44 178.72 2fw3 h HIS 96 N 0.93 0.38 -1.04 1.13 2.76 -1.19 0.17 115.15 118.29 2fw3 h HIS 96 Ca 0.22 -0.08 0.28 0.00 -2.20 0.00 0.00 60.37 58.59 2fw3 h HIS 96 Cb 0.21 -0.09 -0.12 0.00 1.55 0.00 0.00 27.41 28.96 2fw3 h HIS 96 CO 0.02 0.59 0.64 0.00 -1.30 0.00 0.00 177.93 177.88 2fw3 h ALA 97 N 0.73 2.05 0.06 5.26 0.00 -1.30 0.79 119.26 126.85 2fw3 h ALA 97 Ca 0.05 0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 2fw3 h ALA 97 Cb 0.47 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2fw3 h ALA 97 CO 0.02 -0.55 -1.72 0.45 0.00 0.00 0.00 179.25 177.45 2fw3 h HIS 98 N 0.43 0.22 -0.26 0.00 -0.00 -1.24 -2.77 115.15 111.54 2fw3 h HIS 98 Ca 0.66 -0.16 -0.08 0.00 -0.00 0.00 0.00 60.37 60.78 2fw3 h HIS 98 Cb 1.52 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.91 2fw3 h HIS 98 CO -0.01 1.30 -0.20 1.25 -0.00 0.00 0.00 177.93 180.27 2fw3 h LEU 99 N 0.03 0.46 -0.36 2.43 5.85 -0.17 -1.33 115.31 122.22 2fw3 h LEU 99 Ca -0.30 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.14 2fw3 h LEU 99 Cb 2.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 2fw3 h LEU 99 CO 0.10 0.68 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.49 2fw3 h LEU 100 N 0.42 0.91 -0.07 2.25 3.38 -0.92 -1.91 115.31 119.37 2fw3 h LEU 100 Ca 0.07 -0.46 -0.25 0.00 0.09 0.00 0.00 57.88 57.34 2fw3 h LEU 100 Cb 0.59 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.11 2fw3 h LEU 100 CO 0.04 1.17 -0.92 0.00 0.09 0.00 0.00 178.44 178.83 2fw3 h ALA 101 N 0.76 0.21 -0.82 1.53 0.00 -1.38 -1.95 119.26 117.60 2fw3 h ALA 101 Ca 0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2fw3 h ALA 101 Cb 0.90 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2fw3 h ALA 101 CO 0.08 0.67 0.45 0.37 0.00 0.00 0.00 179.25 180.83 2fw3 h GLN 102 N 0.45 1.13 -0.52 0.00 4.15 -1.33 -1.96 115.11 117.03 2fw3 h GLN 102 Ca -0.09 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 2fw3 h GLN 102 Cb 1.56 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 2fw3 h GLN 102 CO 0.18 0.82 -0.07 0.22 -1.93 0.00 0.00 178.83 178.05 2fw3 h ASP 103 N 1.14 0.93 -0.15 -0.69 3.58 -1.23 -2.23 116.42 117.76 2fw3 h ASP 103 Ca 0.29 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2fw3 h ASP 103 Cb 0.01 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2fw3 h ASP 103 CO -0.05 1.03 0.05 0.11 -2.88 0.00 0.00 179.24 177.50 2fw3 h LYS 104 N 0.85 0.31 0.00 0.28 1.57 -1.05 -2.32 116.57 116.21 2fw3 h LYS 104 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2fw3 h LYS 104 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2fw3 h LYS 104 CO 0.04 0.29 -0.02 1.04 -0.57 0.00 0.00 179.45 180.23 2fw3 n GLN 105 N -4.41 0.01 -2.93 3.15 6.02 -0.76 -4.16 117.38 114.29 2fw3 n GLN 105 Ca 0.00 0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.77 2fw3 n GLN 105 Cb 0.15 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2fw3 n GLN 105 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2fw3 n ASN 106 N -1.53 3.22 0.25 1.08 3.02 -0.87 -4.91 115.26 115.52 2fw3 n ASN 106 Ca 0.07 -3.42 0.12 0.00 -0.03 0.00 0.00 54.58 51.32 2fw3 n ASN 106 Cb 0.34 -0.56 0.68 0.00 -0.61 0.00 0.00 39.78 39.63 2fw3 n ASN 106 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2fw3 h LYS 107 N 2.94 0.00 0.00 3.52 1.57 -1.72 -2.77 116.57 120.11 2fw3 h LYS 107 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2fw3 h LYS 107 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2fw3 h LYS 107 CO 0.71 0.14 0.00 1.12 -0.57 0.00 0.00 179.45 180.85 2fw3 h HIS 108 N 0.00 0.00 -2.51 -1.35 2.07 -1.91 -3.45 115.15 108.01 2fw3 h HIS 108 Ca -0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 2fw3 h HIS 108 Cb 0.38 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 30.23 2fw3 h HIS 108 CO 0.00 0.00 -0.51 -0.08 -3.07 0.00 0.00 177.93 174.27 2fw3 s THR 109 N -3.78 0.58 0.17 6.12 -1.32 -1.05 -4.89 115.64 111.48 2fw3 s THR 109 Ca -0.01 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.36 2fw3 s THR 109 Cb 0.10 -2.30 -0.07 0.00 -1.51 0.00 0.00 72.50 68.72 2fw3 s THR 109 CO 0.44 0.00 0.52 -0.94 -2.21 0.00 0.00 174.62 172.43 2fw3 s SER 110 N -3.63 6.69 0.57 8.08 1.04 -1.25 -4.85 113.70 120.34 2fw3 s SER 110 Ca 0.22 0.94 0.38 0.00 0.48 0.00 0.00 55.95 57.97 2fw3 s SER 110 Cb 0.02 -2.23 2.01 0.00 0.10 0.00 0.00 66.02 65.92 2fw3 s SER 110 CO 0.14 0.03 2.16 0.10 0.98 0.00 0.00 173.24 176.66 2fw3 h TYR 111 N 3.10 0.00 0.00 5.02 -0.00 -1.91 -3.24 116.97 119.95 2fw3 h TYR 111 Ca -0.48 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.01 2fw3 h TYR 111 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.87 2fw3 h TYR 111 CO 0.64 0.00 -2.06 1.51 -0.00 0.00 0.00 178.16 178.24 2fw3 n ILE 112 N -2.88 1.06 -0.07 -0.90 0.13 -1.26 -4.72 119.36 110.72 2fw3 n ILE 112 Ca -0.02 -0.74 -0.10 0.00 -1.10 0.00 0.00 62.75 60.78 2fw3 n ILE 112 Cb 0.09 -0.46 -0.07 0.00 -0.84 0.00 0.00 39.64 38.36 2fw3 n ILE 112 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 2fw3 h SER 113 N 0.00 -1.33 0.14 9.51 0.87 -1.86 0.15 113.55 121.03 2fw3 h SER 113 Ca -0.33 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2fw3 h SER 113 Cb 1.83 0.54 -0.04 0.00 -0.44 0.00 0.00 62.40 64.28 2fw3 h SER 113 CO 0.03 -0.31 -0.35 1.23 -0.53 0.00 0.00 176.83 176.90 2fw3 h GLY 114 N -0.33 -0.69 1.88 5.77 0.00 -1.85 0.38 103.07 108.23 2fw3 h GLY 114 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2fw3 h GLY 114 CO -0.40 -0.26 0.06 -2.55 0.00 0.00 0.00 176.54 173.39 2fw3 h PRO 115 N -0.59 0.00 0.14 4.80 0.11 -1.80 -1.91 132.00 132.75 2fw3 h PRO 115 Ca 0.03 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.79 2fw3 h PRO 115 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2fw3 h PRO 115 CO -0.20 0.00 -1.81 2.35 -0.21 0.00 0.00 178.00 178.13 2fw3 h TRP 116 N 0.00 0.55 -0.89 0.65 2.91 0.59 -2.78 115.95 116.97 2fw3 h TRP 116 Ca 0.00 -0.40 0.05 0.00 1.13 0.00 0.00 58.89 59.68 2fw3 h TRP 116 Cb 0.12 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 2fw3 h TRP 116 CO 0.00 1.63 0.57 0.74 -1.03 0.00 0.00 178.44 180.35 2fw3 h PHE 117 N 0.08 1.06 0.00 2.65 0.04 -0.08 -1.89 116.94 118.80 2fw3 h PHE 117 Ca -0.36 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.37 2fw3 h PHE 117 Cb 2.06 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 2fw3 h PHE 117 CO 0.08 0.57 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.59 2fw3 h ASP 118 N 1.06 0.00 -0.08 2.17 3.32 -1.45 -1.26 116.42 120.19 2fw3 h ASP 118 Ca 0.38 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.46 2fw3 h ASP 118 Cb 0.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2fw3 h ASP 118 CO -0.15 0.33 -0.16 -0.03 -1.72 0.00 0.00 179.24 177.51 2fw3 h MET 119 N 0.00 -0.22 0.06 3.56 4.05 -1.04 -2.75 114.93 118.59 2fw3 h MET 119 Ca -0.00 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2fw3 h MET 119 Cb 0.66 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2fw3 h MET 119 CO 0.04 -0.14 -0.03 1.88 0.23 0.00 0.00 176.91 178.89 2fw3 h TYR 120 N -0.23 -0.08 0.00 1.39 -1.99 -1.33 -3.27 116.97 111.47 2fw3 h TYR 120 Ca 0.08 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2fw3 h TYR 120 Cb 0.34 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2fw3 h TYR 120 CO -0.25 0.05 -0.09 -0.07 -0.00 0.00 0.00 178.16 177.80 2fw3 h LEU 121 N -0.19 0.00 0.01 3.88 3.38 -1.05 -3.24 115.31 118.10 2fw3 h LEU 121 Ca -0.01 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.57 2fw3 h LEU 121 Cb 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2fw3 h LEU 121 CO 0.01 0.01 -2.41 0.35 0.09 0.00 0.00 178.44 176.49 2fw3 n THR 122 N -2.71 1.47 -0.57 0.22 -2.24 -1.05 -1.55 114.28 107.85 2fw3 n THR 122 Ca 0.04 -0.68 -0.25 0.00 -2.27 0.00 0.00 64.05 60.90 2fw3 n THR 122 Cb 0.49 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 2fw3 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fw3 n ALA 123 N -3.06 0.10 1.22 6.98 0.00 -1.23 -4.83 120.51 119.69 2fw3 n ALA 123 Ca -0.40 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.22 2fw3 n ALA 123 Cb 1.05 -0.93 0.47 0.00 0.00 0.00 0.00 19.45 20.05 2fw3 n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fw3 n ARG 124 N 3.36 0.47 -0.60 0.00 5.12 -1.26 -4.82 116.66 118.93 2fw3 n ARG 124 Ca 0.25 -0.21 -0.30 0.00 -1.93 0.00 0.00 57.85 55.66 2fw3 n ARG 124 Cb -0.01 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.00 2fw3 n ARG 124 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2fw3 n ASP 125 N -1.09 -1.49 -4.75 0.55 8.00 -1.26 0.13 116.55 116.65 2fw3 n ASP 125 Ca 0.11 0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 2fw3 n ASP 125 Cb 0.32 -1.23 0.05 0.00 -0.02 0.00 0.00 41.12 40.23 2fw3 n ASP 125 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2fw3 s SER 126 N -2.28 5.07 0.30 -2.24 0.15 -1.26 -4.34 113.70 109.10 2fw3 s SER 126 Ca 0.64 2.59 0.23 0.00 0.70 0.00 0.00 55.95 60.11 2fw3 s SER 126 Cb -0.21 -2.62 0.21 0.00 -1.71 0.00 0.00 66.02 61.69 2fw3 s SER 126 CO 0.64 -1.69 1.34 0.16 1.20 0.00 0.00 173.24 174.89 2fw3 h ILE 127 N 1.01 0.00 -3.05 6.45 3.07 -1.83 -3.39 117.51 119.76 2fw3 h ILE 127 Ca -0.51 -0.94 -0.55 0.00 1.55 0.00 0.00 64.86 64.41 2fw3 h ILE 127 Cb 1.31 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 39.52 2fw3 h ILE 127 CO 0.55 0.00 0.73 -0.69 -1.05 0.00 0.00 178.15 177.69 2fw3 s VAL 128 N -3.27 4.20 0.00 0.16 1.01 -1.26 -0.82 120.40 120.41 2fw3 s VAL 128 Ca 0.04 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2fw3 s VAL 128 Cb 0.08 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2fw3 s VAL 128 CO 0.72 -0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.99 2fw3 n LEU 129 N 5.32 0.00 0.06 3.92 4.32 -1.26 -4.63 117.00 124.74 2fw3 n LEU 129 Ca 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.24 2fw3 n LEU 129 Cb 0.46 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 42.88 2fw3 n LEU 129 CO 0.56 0.00 1.15 0.78 -1.22 0.00 0.00 177.39 178.65 2fw3 h ASN 130 N 0.00 0.11 0.00 -1.43 -0.26 -1.76 -3.31 115.58 108.93 2fw3 h ASN 130 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2fw3 h ASN 130 Cb 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2fw3 h ASN 130 CO 0.00 0.07 -0.46 0.49 -1.06 0.00 0.00 177.43 176.46 2fw3 n PHE 131 N -4.45 0.00 -1.98 1.19 3.72 0.00 -4.98 117.46 110.96 2fw3 n PHE 131 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 2fw3 n PHE 131 Cb 0.36 0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 2fw3 n PHE 131 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2fw3 s ASN 132 N -4.24 6.61 0.37 4.37 -0.87 -0.54 -4.71 114.94 115.92 2fw3 s ASN 132 Ca 0.00 2.22 0.07 0.00 -1.57 0.00 0.00 52.86 53.58 2fw3 s ASN 132 Cb 0.00 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.69 2fw3 s ASN 132 CO 0.00 -0.98 0.43 -2.16 -2.57 0.00 0.00 177.10 171.82 2fw3 s PRO 133 N 4.16 2.86 0.27 -0.60 0.05 -1.25 -4.28 135.00 136.21 2fw3 s PRO 133 Ca 0.75 -1.22 0.09 0.00 0.05 0.00 0.00 61.00 60.67 2fw3 s PRO 133 Cb -0.33 -2.65 -0.05 0.00 0.05 0.00 0.00 34.50 31.51 2fw3 s PRO 133 CO 0.31 -0.05 -0.13 -0.59 0.05 0.00 0.00 177.00 176.59 2fw3 s PHE 134 N -2.30 2.07 -0.01 0.56 -0.12 -0.62 -2.67 117.98 114.89 2fw3 s PHE 134 Ca 0.47 -0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 56.82 2fw3 s PHE 134 Cb -0.08 -1.05 0.02 0.00 -0.63 0.00 0.00 43.02 41.28 2fw3 s PHE 134 CO 0.30 0.49 0.03 0.00 -0.05 0.00 0.00 175.22 175.98 2fw3 s MET 135 N -3.62 -0.01 -0.12 1.99 0.23 -0.80 -2.02 119.30 114.95 2fw3 s MET 135 Ca 0.28 0.11 -0.10 0.00 -1.03 0.00 0.00 55.69 54.95 2fw3 s MET 135 Cb -0.00 -0.12 -0.05 0.00 -1.53 0.00 0.00 34.83 33.14 2fw3 s MET 135 CO 0.12 -0.08 0.22 0.00 -2.03 0.00 0.00 175.02 173.25 2fw3 s ALA 136 N 0.54 3.76 0.59 3.16 0.00 0.17 -1.93 121.76 128.04 2fw3 s ALA 136 Ca -0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2fw3 s ALA 136 Cb -0.06 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2fw3 s ALA 136 CO -0.02 0.41 1.10 -0.06 0.00 0.00 0.00 175.76 177.20 2fw3 s PHE 137 N -0.52 2.74 0.82 0.00 0.08 -0.82 -0.67 117.98 119.62 2fw3 s PHE 137 Ca 0.16 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 2fw3 s PHE 137 Cb -0.13 -3.17 0.09 0.00 -0.57 0.00 0.00 43.02 39.23 2fw3 s PHE 137 CO 0.05 -1.46 1.09 -0.80 -0.10 0.00 0.00 175.22 174.00 2fw3 s ASN 138 N -2.27 4.11 1.12 1.36 -0.87 -0.13 -4.35 114.94 113.91 2fw3 s ASN 138 Ca 0.68 1.64 -0.15 0.00 -1.57 0.00 0.00 52.86 53.46 2fw3 s ASN 138 Cb -0.20 -2.34 0.25 0.00 -0.02 0.00 0.00 41.25 38.93 2fw3 s ASN 138 CO 0.33 -2.26 1.08 -2.84 -2.57 0.00 0.00 177.10 170.85 2fw3 s PRO 139 N -4.94 -0.54 0.37 -0.60 0.02 -1.26 -4.93 135.00 123.11 2fw3 s PRO 139 Ca 0.62 0.29 -0.27 0.00 0.02 0.00 0.00 61.00 61.66 2fw3 s PRO 139 Cb -0.17 -1.64 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 2fw3 s PRO 139 CO 0.56 -3.33 1.27 0.34 -0.33 0.00 0.00 177.00 175.50 2fw3 s ASP 140 N -3.51 6.60 0.40 2.53 -1.08 -1.26 -4.95 116.67 115.39 2fw3 s ASP 140 Ca 0.68 2.59 0.10 0.00 -0.52 0.00 0.00 52.55 55.40 2fw3 s ASP 140 Cb -0.16 -2.64 0.91 0.00 -1.46 0.00 0.00 42.92 39.57 2fw3 s ASP 140 CO 0.58 -0.65 1.96 -0.65 0.52 0.00 0.00 175.17 176.93 2fw3 h PRO 141 N 3.03 0.54 -6.53 4.34 0.11 -1.96 -3.41 132.00 128.12 2fw3 h PRO 141 Ca -0.49 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 2fw3 h PRO 141 Cb 1.23 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 2fw3 h PRO 141 CO 0.64 0.36 0.88 0.15 -0.21 0.00 0.00 178.00 179.82 2fw3 s LYS 142 N -5.52 3.59 0.22 1.05 1.02 -1.26 -4.96 119.74 113.88 2fw3 s LYS 142 Ca -0.09 0.33 -0.16 0.00 0.02 0.00 0.00 55.97 56.07 2fw3 s LYS 142 Cb 0.20 -3.96 0.24 0.00 -0.52 0.00 0.00 37.83 33.78 2fw3 s LYS 142 CO 0.76 -1.49 1.59 0.77 -0.92 0.00 0.00 175.35 176.06 2fw3 h SER 143 N 9.35 -1.00 -0.25 2.83 0.02 -2.03 -0.85 113.55 121.62 2fw3 h SER 143 Ca -0.24 0.24 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2fw3 h SER 143 Cb 1.06 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 2fw3 h SER 143 CO 1.14 -0.28 0.27 -0.33 -1.14 0.00 0.00 176.83 176.49 2fw3 h GLU 144 N -0.06 0.00 -0.00 3.45 5.08 -1.96 -2.43 114.58 118.65 2fw3 h GLU 144 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2fw3 h GLU 144 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2fw3 h GLU 144 CO -0.79 0.00 -0.06 0.66 -1.00 0.00 0.00 179.01 177.83 2fw3 n TYR 145 N -3.77 0.00 0.45 4.33 4.02 -0.32 -3.65 117.16 118.21 2fw3 n TYR 145 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.98 2fw3 n TYR 145 Cb 0.41 -0.16 0.20 0.00 -0.02 0.00 0.00 39.34 39.77 2fw3 n TYR 145 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2fw3 n ASN 146 N -0.96 2.67 -4.76 7.72 3.02 -0.92 -4.03 115.26 117.99 2fw3 n ASN 146 Ca 0.17 -2.17 -0.41 0.00 -0.03 0.00 0.00 54.58 52.14 2fw3 n ASN 146 Cb 0.24 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 2fw3 n ASN 146 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2fw3 s ASP 147 N -0.81 6.85 0.09 6.41 2.15 -1.24 -2.82 116.67 127.30 2fw3 s ASP 147 Ca 0.28 2.60 -0.33 0.00 0.43 0.00 0.00 52.55 55.53 2fw3 s ASP 147 Cb 0.17 -2.64 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 2fw3 s ASP 147 CO 0.15 -0.49 1.59 -0.61 -0.17 0.00 0.00 175.17 175.65 2fw3 h GLN 148 N 3.74 -0.82 -0.26 4.34 4.15 -1.81 -0.78 115.11 123.66 2fw3 h GLN 148 Ca -0.48 0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.06 2fw3 h GLN 148 Cb 1.22 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 29.03 2fw3 h GLN 148 CO 0.67 -0.55 -0.26 1.25 -1.93 0.00 0.00 178.83 178.02 2fw3 h LEU 149 N -0.85 -0.83 0.13 -2.39 5.85 -1.94 -0.08 115.31 115.20 2fw3 h LEU 149 Ca -0.04 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2fw3 h LEU 149 Cb 0.76 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2fw3 h LEU 149 CO -0.08 -0.29 -0.44 0.74 -0.34 0.00 0.00 178.44 178.03 2fw3 h THR 150 N -0.25 0.00 -0.56 1.05 2.02 -1.87 -2.68 112.91 110.61 2fw3 h THR 150 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2fw3 h THR 150 Cb 0.48 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2fw3 h THR 150 CO -0.41 0.00 0.24 -0.09 0.37 0.00 0.00 175.52 175.63 2fw3 h ARG 151 N -0.64 0.82 -0.48 6.66 2.43 -0.92 -1.32 114.38 120.92 2fw3 h ARG 151 Ca -0.01 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2fw3 h ARG 151 Cb 0.64 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2fw3 h ARG 151 CO -0.22 0.69 0.32 0.00 -1.51 0.00 0.00 179.97 179.25 2fw3 h ALA 152 N 1.09 1.73 -0.02 2.80 0.00 -1.04 -1.36 119.26 122.46 2fw3 h ALA 152 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2fw3 h ALA 152 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2fw3 h ALA 152 CO -0.02 0.22 -0.09 1.15 0.00 0.00 0.00 179.25 180.52 2fw3 h THR 153 N 0.58 1.51 -0.51 0.00 2.02 -0.96 -1.79 112.91 113.76 2fw3 h THR 153 Ca 0.19 -1.61 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 2fw3 h THR 153 Cb 0.04 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2fw3 h THR 153 CO -0.05 0.43 0.09 0.78 0.37 0.00 0.00 175.52 177.15 2fw3 h ASN 154 N -0.53 0.74 -0.01 4.18 -0.26 -0.92 -0.81 115.58 117.97 2fw3 h ASN 154 Ca -0.01 -0.14 -0.19 0.00 -0.56 0.00 0.00 56.30 55.41 2fw3 h ASN 154 Cb 0.75 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.82 2fw3 h ASN 154 CO 0.02 0.75 -0.65 -0.07 -1.06 0.00 0.00 177.43 176.42 2fw3 h LEU 155 N 0.76 0.72 -1.15 1.61 3.38 -1.32 -0.66 115.31 118.66 2fw3 h LEU 155 Ca 0.16 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2fw3 h LEU 155 Cb 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2fw3 h LEU 155 CO 0.00 1.19 0.33 0.74 0.09 0.00 0.00 178.44 180.79 2fw3 h THR 156 N 0.46 1.21 0.15 0.22 2.02 -0.96 -2.15 112.91 113.86 2fw3 h THR 156 Ca -0.02 -0.56 -0.28 0.00 0.77 0.00 0.00 66.41 66.32 2fw3 h THR 156 Cb 1.24 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2fw3 h THR 156 CO 0.13 0.24 -1.27 0.58 0.37 0.00 0.00 175.52 175.57 2fw3 h VAL 157 N 0.93 1.44 -0.30 3.16 2.07 -0.62 -2.29 116.25 120.65 2fw3 h VAL 157 Ca 0.23 -2.92 -0.06 0.00 0.82 0.00 0.00 66.70 64.77 2fw3 h VAL 157 Cb 0.07 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2fw3 h VAL 157 CO -0.03 0.86 -0.04 0.28 0.02 0.00 0.00 177.57 178.65 2fw3 h SER 158 N 0.11 0.55 -0.81 0.57 0.02 -1.10 0.38 113.55 113.26 2fw3 h SER 158 Ca -0.16 -0.34 0.08 0.00 -0.84 0.00 0.00 61.79 60.52 2fw3 h SER 158 Cb 1.98 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 64.31 2fw3 h SER 158 CO 0.22 0.77 0.48 0.00 -1.14 0.00 0.00 176.83 177.16 2fw3 h ALA 159 N 0.81 1.14 -0.14 3.77 0.00 -1.40 0.68 119.26 124.11 2fw3 h ALA 159 Ca 0.08 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2fw3 h ALA 159 Cb 0.51 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2fw3 h ALA 159 CO 0.02 0.16 -0.78 0.28 0.00 0.00 0.00 179.25 178.94 2fw3 h VAL 160 N 0.85 1.28 -0.69 0.00 2.07 -1.17 -1.94 116.25 116.65 2fw3 h VAL 160 Ca 0.37 -1.98 0.13 0.00 0.82 0.00 0.00 66.70 66.04 2fw3 h VAL 160 Cb 0.26 2.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 2fw3 h VAL 160 CO -0.21 0.62 0.22 0.03 0.02 0.00 0.00 177.57 178.26 2fw3 h ARG 161 N 0.49 0.35 -0.18 1.57 3.08 0.85 -1.47 114.38 119.08 2fw3 h ARG 161 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2fw3 h ARG 161 Cb 1.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 2fw3 h ARG 161 CO 0.16 0.23 0.10 0.35 -1.07 0.00 0.00 179.97 179.74 2fw3 h PHE 162 N 0.36 0.24 -0.36 3.04 3.57 0.56 0.32 116.94 124.67 2fw3 h PHE 162 Ca 0.37 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.94 2fw3 h PHE 162 Cb 0.56 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 2fw3 h PHE 162 CO -0.20 0.23 -0.16 1.25 -2.23 0.00 0.00 178.31 177.19 2fw3 h LEU 163 N 0.18 -0.56 -0.16 0.59 6.46 -0.98 0.88 115.31 121.72 2fw3 h LEU 163 Ca 0.06 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.01 2fw3 h LEU 163 Cb 0.07 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.25 2fw3 h LEU 163 CO -0.01 -0.20 -0.19 0.11 -0.62 0.00 0.00 178.44 177.53 2fw3 h LYS 164 N -0.10 -0.22 0.00 1.25 1.79 -0.74 -0.12 116.57 118.43 2fw3 h LYS 164 Ca 0.18 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 2fw3 h LYS 164 Cb 0.38 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2fw3 h LYS 164 CO -0.43 -0.15 -0.29 1.79 -1.08 0.00 0.00 179.45 179.30 2fw3 h THR 165 N -0.23 0.74 -0.44 -0.16 1.35 -0.26 0.38 112.91 114.28 2fw3 h THR 165 Ca 0.11 -1.24 -0.13 0.00 -0.55 0.00 0.00 66.41 64.60 2fw3 h THR 165 Cb 0.39 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2fw3 h THR 165 CO -0.30 0.28 -0.21 0.25 -0.25 0.00 0.00 175.52 175.29 2fw3 h LEU 166 N 0.00 0.96 -0.42 3.87 6.46 -0.18 -1.12 115.31 124.87 2fw3 h LEU 166 Ca -0.00 -0.40 -0.17 0.00 -0.12 0.00 0.00 57.88 57.18 2fw3 h LEU 166 Cb 0.76 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2fw3 h LEU 166 CO 0.04 1.15 -0.78 1.56 -0.62 0.00 0.00 178.44 179.78 2fw3 h GLN 167 N 0.76 0.15 0.00 1.25 4.20 -0.13 -2.45 115.11 118.89 2fw3 h GLN 167 Ca 0.10 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2fw3 h GLN 167 Cb 0.79 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2fw3 h GLN 167 CO 0.06 0.85 0.00 0.00 -0.67 0.00 0.00 178.83 179.08 2fw3 n ALA 168 N -2.44 2.24 -2.13 3.87 0.00 0.04 -4.92 120.51 117.17 2fw3 n ALA 168 Ca -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 2fw3 n ALA 168 Cb 0.74 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 2fw3 n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fw3 n GLY 169 N 1.24 0.06 0.36 0.00 0.00 -0.92 -4.93 105.19 101.01 2fw3 n GLY 169 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.57 2fw3 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fw3 n LEU 170 N -1.11 2.07 -4.74 0.99 4.77 -0.44 -2.91 117.00 115.64 2fw3 n LEU 170 Ca -0.09 -1.44 -0.41 0.00 -0.03 0.00 0.00 56.01 54.04 2fw3 n LEU 170 Cb 0.56 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2fw3 n LEU 170 CO 0.11 0.47 0.64 -0.22 -1.33 0.00 0.00 177.39 177.06 2fw3 s LEU 171 N -0.79 4.55 0.02 2.23 2.96 -1.10 -1.11 118.68 125.44 2fw3 s LEU 171 Ca 0.12 1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 55.54 2fw3 s LEU 171 Cb 0.07 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 2fw3 s LEU 171 CO 0.10 0.03 1.69 -1.61 -1.32 0.00 0.00 176.35 175.24 2fw3 s GLU 172 N -0.46 4.19 0.24 1.98 2.02 -1.26 -3.73 118.70 121.68 2fw3 s GLU 172 Ca 0.44 2.32 -0.26 0.00 0.02 0.00 0.00 54.97 57.49 2fw3 s GLU 172 Cb -0.24 -3.80 -0.16 0.00 0.10 0.00 0.00 34.13 30.03 2fw3 s GLU 172 CO 0.30 -0.80 0.41 -2.30 0.02 0.00 0.00 175.26 172.89 2fw3 n PRO 173 N 6.35 0.00 -2.16 0.39 -0.01 -1.26 -4.89 135.00 133.43 2fw3 n PRO 173 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.24 2fw3 n PRO 173 Cb 0.41 -0.99 -0.03 0.00 -0.01 0.00 0.00 33.50 32.89 2fw3 n PRO 173 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 2fw3 s GLU 174 N -0.99 4.26 -0.04 -0.52 0.41 -1.26 -5.03 118.70 115.54 2fw3 s GLU 174 Ca 0.62 2.05 -0.02 0.00 -0.41 0.00 0.00 54.97 57.21 2fw3 s GLU 174 Cb -0.85 -3.58 0.03 0.00 -1.78 0.00 0.00 34.13 27.95 2fw3 s GLU 174 CO 0.57 -0.61 0.08 0.08 -0.49 0.00 0.00 175.26 174.89 2fw3 s VAL 175 N 2.46 -0.04 -0.47 2.63 1.01 -1.26 -1.60 120.40 123.13 2fw3 s VAL 175 Ca 0.66 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 2fw3 s VAL 175 Cb -0.33 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 35.94 2fw3 s VAL 175 CO 0.28 0.06 0.79 0.12 0.00 0.00 0.00 175.10 176.34 2fw3 s PHE 176 N 0.79 2.97 -0.28 5.22 5.36 0.26 -4.89 117.98 127.41 2fw3 s PHE 176 Ca -0.06 0.07 -0.12 0.00 -0.96 0.00 0.00 56.93 55.86 2fw3 s PHE 176 Cb -0.09 -3.70 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 2fw3 s PHE 176 CO -0.03 -1.04 0.24 -1.01 -1.46 0.00 0.00 175.22 171.92 2fw3 s HIS 177 N 3.31 3.23 0.16 10.12 3.76 -1.26 0.66 115.29 135.27 2fw3 s HIS 177 Ca 0.28 0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 2fw3 s HIS 177 Cb -0.13 -2.44 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 2fw3 s HIS 177 CO 0.21 -0.20 1.37 -0.07 -0.85 0.00 0.00 174.74 175.21 2fw3 h LEU 178 N 8.44 0.23 -6.22 0.89 3.38 -1.80 -3.39 115.31 116.84 2fw3 h LEU 178 Ca -0.34 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 56.85 2fw3 h LEU 178 Cb 1.18 -0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.45 2fw3 h LEU 178 CO 0.58 1.00 -0.73 -3.20 0.09 0.00 0.00 178.44 176.18 2fw3 n ASN 179 N -3.63 2.66 -0.22 -0.43 4.05 -1.26 -4.98 115.26 111.44 2fw3 n ASN 179 Ca -0.03 -3.20 -0.03 0.00 0.45 0.00 0.00 54.58 51.77 2fw3 n ASN 179 Cb 0.82 -0.67 0.08 0.00 1.23 0.00 0.00 39.78 41.24 2fw3 n ASN 179 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2fw3 h PRO 180 N 4.28 0.68 0.00 1.20 0.11 -1.96 0.46 132.00 136.78 2fw3 h PRO 180 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2fw3 h PRO 180 Cb 0.73 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2fw3 h PRO 180 CO 0.72 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.83 2fw3 n SER 181 N -4.76 0.12 -0.11 -2.05 3.41 -1.26 -0.76 113.62 108.20 2fw3 n SER 181 Ca 0.07 0.54 -0.22 0.00 -0.26 0.00 0.00 58.87 59.01 2fw3 n SER 181 Cb 0.14 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 2fw3 n SER 181 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2fw3 n LYS 182 N -1.65 0.56 -0.01 4.33 4.81 0.16 -4.79 118.16 121.57 2fw3 n LYS 182 Ca 0.01 0.49 0.09 0.00 -0.87 0.00 0.00 58.31 58.04 2fw3 n LYS 182 Cb 0.07 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.30 2fw3 n LYS 182 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2fw3 n SER 183 N -4.40 0.75 -3.45 3.14 3.41 -0.85 -4.43 113.62 107.79 2fw3 n SER 183 Ca -0.35 -0.16 -0.40 0.00 -0.26 0.00 0.00 58.87 57.71 2fw3 n SER 183 Cb 0.70 1.71 -0.00 0.00 -0.26 0.00 0.00 64.21 66.36 2fw3 n SER 183 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2fw3 n ASP 184 N -2.03 7.78 -3.91 4.04 2.03 0.06 -4.69 116.55 119.83 2fw3 n ASP 184 Ca -0.02 -3.30 -0.15 0.00 0.52 0.00 0.00 54.79 51.83 2fw3 n ASP 184 Cb 0.45 -1.30 -0.15 0.00 -0.72 0.00 0.00 41.12 39.41 2fw3 n ASP 184 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2fw3 s THR 185 N -2.11 0.27 0.40 5.18 -4.23 -1.26 -4.87 115.64 109.02 2fw3 s THR 185 Ca 0.50 -0.10 0.24 0.00 -1.18 0.00 0.00 61.69 61.15 2fw3 s THR 185 Cb 0.20 -0.26 0.42 0.00 1.34 0.00 0.00 72.50 74.20 2fw3 s THR 185 CO -0.12 0.10 1.62 0.44 -0.54 0.00 0.00 174.62 176.12 2fw3 h ASP 186 N 6.34 0.32 -0.01 3.99 3.32 -1.96 -0.37 116.42 128.05 2fw3 h ASP 186 Ca -0.30 0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.94 2fw3 h ASP 186 Cb 1.18 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 2fw3 h ASP 186 CO 0.50 -0.23 -0.11 0.00 -1.72 0.00 0.00 179.24 177.68 2fw3 h ALA 187 N 1.75 -0.11 -0.30 3.45 0.00 -1.95 0.41 119.26 122.51 2fw3 h ALA 187 Ca 0.81 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.62 2fw3 h ALA 187 Cb 2.29 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 2fw3 h ALA 187 CO -0.54 -0.60 -0.24 0.35 0.00 0.00 0.00 179.25 178.22 2fw3 h PHE 188 N -0.18 0.66 -0.21 0.00 3.57 -1.39 -3.19 116.94 116.20 2fw3 h PHE 188 Ca 0.04 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 2fw3 h PHE 188 Cb 0.23 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2fw3 h PHE 188 CO -0.17 0.78 -0.08 0.87 -2.23 0.00 0.00 178.31 177.47 2fw3 h LYS 189 N 0.51 0.42 0.00 1.11 1.57 -0.71 0.14 116.57 119.61 2fw3 h LYS 189 Ca 0.07 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2fw3 h LYS 189 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2fw3 h LYS 189 CO 0.05 0.69 0.34 -0.09 -0.57 0.00 0.00 179.45 179.87 2fw3 h ARG 190 N 0.13 0.00 0.00 3.15 2.43 -0.20 -2.55 114.38 117.34 2fw3 h ARG 190 Ca 0.05 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 2fw3 h ARG 190 Cb 0.56 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2fw3 h ARG 190 CO 0.03 0.00 -1.57 -0.11 -1.51 0.00 0.00 179.97 176.81 2fw3 n LEU 191 N -2.54 0.98 0.33 3.80 0.00 -0.90 -4.50 117.00 114.17 2fw3 n LEU 191 Ca -0.01 0.11 0.22 0.00 0.00 0.00 0.00 56.01 56.32 2fw3 n LEU 191 Cb 0.37 -0.31 1.17 0.00 0.00 0.00 0.00 43.42 44.66 2fw3 n LEU 191 CO 0.10 0.26 1.17 -0.29 0.00 0.00 0.00 177.39 178.63 2fw3 h ILE 192 N -0.33 0.01 0.00 1.96 6.09 -0.63 -2.78 117.51 121.83 2fw3 h ILE 192 Ca -0.26 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2fw3 h ILE 192 Cb 1.24 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 2fw3 h ILE 192 CO -0.14 0.00 -0.04 0.08 -3.07 0.00 0.00 178.15 174.98 2fw3 h ARG 193 N 0.00 0.00 0.00 2.19 0.11 -1.69 -1.75 114.38 113.24 2fw3 h ARG 193 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2fw3 h ARG 193 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2fw3 h ARG 193 CO 0.00 0.04 -0.70 1.19 0.10 0.00 0.00 179.97 180.60 2fw3 n PHE 194 N -3.35 0.01 -2.61 4.08 3.72 -1.05 -4.87 117.46 113.39 2fw3 n PHE 194 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2fw3 n PHE 194 Cb 0.17 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2fw3 n PHE 194 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2fw3 s VAL 195 N -3.01 4.59 0.32 -4.37 1.01 -0.66 -4.99 120.40 113.30 2fw3 s VAL 195 Ca 0.10 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2fw3 s VAL 195 Cb 0.17 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 2fw3 s VAL 195 CO 0.76 0.09 1.40 -2.65 0.00 0.00 0.00 175.10 174.71 2fw3 n PRO 196 N 4.35 2.32 -0.41 2.72 -0.02 -1.26 -4.59 135.00 138.10 2fw3 n PRO 196 Ca 0.08 0.82 0.34 0.00 -2.02 0.00 0.00 63.50 62.72 2fw3 n PRO 196 Cb 0.49 -2.48 0.63 0.00 -0.02 0.00 0.00 33.50 32.13 2fw3 n PRO 196 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2fw3 h PRO 197 N 3.28 0.15 0.00 0.52 0.11 -1.95 0.48 132.00 134.60 2fw3 h PRO 197 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fw3 h PRO 197 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fw3 h PRO 197 CO 0.68 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 2fw3 n SER 198 N -4.56 0.00 0.00 -2.05 3.41 -1.26 -3.23 113.62 105.93 2fw3 n SER 198 Ca 0.33 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2fw3 n SER 198 Cb 1.29 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2fw3 n SER 198 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fw3 n LEU 199 N -1.42 0.19 -0.13 1.04 4.77 0.14 -4.78 117.00 116.81 2fw3 n LEU 199 Ca 0.06 -0.43 0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2fw3 n LEU 199 Cb 0.20 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.76 2fw3 n LEU 199 CO 0.17 0.05 1.20 0.77 -1.33 0.00 0.00 177.39 178.25 2fw3 h SER 200 N 0.00 0.44 -0.15 -1.43 4.64 -0.66 -2.61 113.55 113.79 2fw3 h SER 200 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2fw3 h SER 200 Cb 0.05 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2fw3 h SER 200 CO 0.00 0.26 0.07 -0.25 -0.87 0.00 0.00 176.83 176.04 2fw3 h TRP 201 N 0.49 0.25 -0.02 4.77 7.01 -1.82 -2.54 115.95 124.08 2fw3 h TRP 201 Ca 0.32 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.27 2fw3 h TRP 201 Cb 0.57 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2fw3 h TRP 201 CO -0.00 0.21 -0.21 1.88 -2.79 0.00 0.00 178.44 177.53 2fw3 h TYR 202 N 0.26 0.04 -0.23 2.65 0.05 -1.78 -0.08 116.97 117.88 2fw3 h TYR 202 Ca 0.07 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.68 2fw3 h TYR 202 Cb 0.07 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2fw3 h TYR 202 CO 0.00 0.25 -0.51 0.78 -1.05 0.00 0.00 178.16 177.63 2fw3 h GLY 203 N 0.69 0.72 2.00 3.88 0.00 -1.60 -1.44 103.07 107.32 2fw3 h GLY 203 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 46.37 2fw3 h GLY 203 CO 0.03 0.73 -0.74 0.00 0.00 0.00 0.00 176.54 176.56 2fw3 h ALA 204 N 0.91 0.68 0.66 3.60 0.00 -1.54 -3.29 119.26 120.29 2fw3 h ALA 204 Ca 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2fw3 h ALA 204 Cb 1.07 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2fw3 h ALA 204 CO 0.10 0.92 -0.32 -0.92 0.00 0.00 0.00 179.25 179.04 2fw3 h TYR 205 N 0.00 -0.82 0.00 0.00 3.20 -0.75 0.71 116.97 119.31 2fw3 h TYR 205 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2fw3 h TYR 205 Cb 1.39 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.94 2fw3 h TYR 205 CO 0.00 -0.47 0.25 -0.07 -1.64 0.00 0.00 178.16 176.22 2fw3 h LEU 206 N -1.05 0.00 -3.02 2.82 3.38 -1.37 0.46 115.31 116.53 2fw3 h LEU 206 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2fw3 h LEU 206 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2fw3 h LEU 206 CO 0.15 0.00 0.00 1.33 0.09 0.00 0.00 178.44 180.01 2fw3 n VAL 207 N -2.38 1.53 -2.12 1.22 0.24 -1.06 -4.94 118.33 110.82 2fw3 n VAL 207 Ca -0.01 -1.18 -0.11 0.00 -2.04 0.00 0.00 64.34 61.00 2fw3 n VAL 207 Cb 0.28 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 2fw3 n VAL 207 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2fw3 n ASN 208 N 0.97 -3.61 -4.47 -1.34 3.02 0.16 -4.68 115.26 105.30 2fw3 n ASN 208 Ca 0.22 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 2fw3 n ASN 208 Cb 0.74 -2.78 -0.13 0.00 -0.61 0.00 0.00 39.78 37.00 2fw3 n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fw3 s ALA 209 N -2.52 2.64 -0.41 5.41 0.00 0.22 -2.30 121.76 124.80 2fw3 s ALA 209 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2fw3 s ALA 209 Cb 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.36 2fw3 s ALA 209 CO 0.00 0.57 0.15 0.71 0.00 0.00 0.00 175.76 177.18 2fw3 s TYR 210 N -0.82 3.31 0.62 0.00 2.02 0.21 -3.60 117.35 119.09 2fw3 s TYR 210 Ca 0.13 -2.96 -0.19 0.00 -0.37 0.00 0.00 57.07 53.68 2fw3 s TYR 210 Cb -0.11 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.68 2fw3 s TYR 210 CO 0.03 -0.85 1.30 -2.14 -1.57 0.00 0.00 175.55 172.31 2fw3 s PRO 211 N 0.45 2.70 0.15 -1.71 0.02 -1.26 0.93 135.00 136.27 2fw3 s PRO 211 Ca 0.14 2.08 0.09 0.00 0.02 0.00 0.00 61.00 63.33 2fw3 s PRO 211 Cb -0.22 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2fw3 s PRO 211 CO -0.05 -1.49 -0.15 -0.51 -0.33 0.00 0.00 177.00 174.47 2fw3 s LEU 212 N -4.18 2.80 0.27 -5.54 1.43 -0.63 -4.55 118.68 108.28 2fw3 s LEU 212 Ca 0.80 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2fw3 s LEU 212 Cb -0.38 -1.57 -0.14 0.00 0.03 0.00 0.00 46.19 44.14 2fw3 s LEU 212 CO 0.41 0.15 1.12 -0.67 0.23 0.00 0.00 176.35 177.59 2fw3 n ASP 213 N 0.47 1.69 -1.56 2.29 2.03 0.11 -4.75 116.55 116.82 2fw3 n ASP 213 Ca -0.13 1.17 0.03 0.00 0.52 0.00 0.00 54.79 56.38 2fw3 n ASP 213 Cb 0.54 -1.32 0.05 0.00 -0.72 0.00 0.00 41.12 39.67 2fw3 n ASP 213 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2fw3 n MET 214 N 1.04 0.48 0.02 -0.67 2.81 -1.26 -4.87 117.12 114.67 2fw3 n MET 214 Ca 0.10 -2.39 -0.06 0.00 -1.81 0.00 0.00 57.70 53.55 2fw3 n MET 214 Cb 0.31 -0.44 -0.11 0.00 -0.71 0.00 0.00 33.22 32.27 2fw3 n MET 214 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2fw3 h SER 215 N 1.22 0.00 -0.31 7.83 4.64 -1.99 -3.26 113.55 121.68 2fw3 h SER 215 Ca -0.18 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2fw3 h SER 215 Cb 1.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 2fw3 h SER 215 CO 0.11 0.88 0.37 1.56 -0.87 0.00 0.00 176.83 178.88 2fw3 h GLN 216 N 0.00 0.00 0.00 4.77 4.20 -1.89 -2.88 115.11 119.31 2fw3 h GLN 216 Ca -0.16 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 2fw3 h GLN 216 Cb 1.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 2fw3 h GLN 216 CO 0.09 0.00 -0.30 1.88 -0.67 0.00 0.00 178.83 179.82 2fw3 h TYR 217 N 0.00 0.00 0.00 2.96 -1.99 -1.92 -2.34 116.97 113.69 2fw3 h TYR 217 Ca 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2fw3 h TYR 217 Cb 0.88 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.61 2fw3 h TYR 217 CO 0.00 0.30 -0.00 0.27 -0.00 0.00 0.00 178.16 178.73 2fw3 h PHE 218 N 0.00 0.00 -0.64 4.88 -5.15 -1.74 -2.29 116.94 112.00 2fw3 h PHE 218 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2fw3 h PHE 218 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.79 2fw3 h PHE 218 CO 0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 2fw3 n ARG 219 N -3.11 3.33 0.16 6.09 1.74 -0.88 -4.44 116.66 119.56 2fw3 n ARG 219 Ca -0.02 -2.65 0.04 0.00 -0.77 0.00 0.00 57.85 54.45 2fw3 n ARG 219 Cb 0.16 -1.78 0.20 0.00 -1.02 0.00 0.00 32.46 30.02 2fw3 n ARG 219 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2fw3 h LEU 220 N 3.93 0.00 -8.27 0.55 5.85 -1.52 -3.43 115.31 112.42 2fw3 h LEU 220 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 2fw3 h LEU 220 Cb 1.27 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.10 2fw3 h LEU 220 CO 0.16 0.47 -0.74 -0.36 -0.34 0.00 0.00 178.44 177.64 2fw3 s PHE 221 N -3.33 0.82 -1.44 1.25 0.08 -1.26 -4.69 117.98 109.41 2fw3 s PHE 221 Ca 0.01 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.41 2fw3 s PHE 221 Cb 0.10 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2fw3 s PHE 221 CO 0.72 -0.06 1.03 0.09 -0.10 0.00 0.00 175.22 176.89 2fw3 n ASN 222 N 1.16 -5.83 -3.85 1.36 5.03 0.13 -4.86 115.26 108.40 2fw3 n ASN 222 Ca -0.21 -0.57 -0.11 0.00 0.87 0.00 0.00 54.58 54.57 2fw3 n ASN 222 Cb 0.56 -4.62 -0.09 0.00 -1.02 0.00 0.00 39.78 34.60 2fw3 n ASN 222 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2fw3 s SER 223 N -3.21 0.01 0.17 6.41 0.01 -1.26 -1.06 113.70 114.78 2fw3 s SER 223 Ca 0.57 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.32 2fw3 s SER 223 Cb -0.26 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.29 2fw3 s SER 223 CO 0.70 -0.49 0.77 0.28 0.41 0.00 0.00 173.24 174.91 2fw3 s THR 224 N -2.06 0.00 -0.26 1.44 -1.32 0.26 -1.89 115.64 111.81 2fw3 s THR 224 Ca -0.09 -0.48 -0.14 0.00 -1.21 0.00 0.00 61.69 59.77 2fw3 s THR 224 Cb -0.04 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 2fw3 s THR 224 CO -0.01 0.00 0.33 -0.60 -2.21 0.00 0.00 174.62 172.13 2fw3 s ARG 225 N -3.60 4.03 -0.32 7.08 3.52 -0.17 -0.88 118.95 128.61 2fw3 s ARG 225 Ca 0.07 -0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 55.52 2fw3 s ARG 225 Cb -0.03 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 2fw3 s ARG 225 CO -0.02 -0.21 0.33 0.42 -0.81 0.00 0.00 175.30 175.00 2fw3 s ILE 226 N 1.86 5.20 0.04 4.11 -1.09 0.18 -4.80 121.20 126.70 2fw3 s ILE 226 Ca 0.14 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 2fw3 s ILE 226 Cb -0.16 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 2fw3 s ILE 226 CO 0.09 0.02 1.73 -2.16 -1.23 0.00 0.00 174.94 173.39 2fw3 s PRO 227 N 1.96 4.18 0.09 2.79 0.04 -1.26 -1.95 135.00 140.85 2fw3 s PRO 227 Ca 0.11 2.38 0.03 0.00 0.04 0.00 0.00 61.00 63.57 2fw3 s PRO 227 Cb -0.16 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2fw3 s PRO 227 CO 0.11 -0.81 -0.09 1.03 0.04 0.00 0.00 177.00 177.27 2fw3 s ARG 228 N 3.30 0.81 0.34 4.56 1.81 -1.26 -4.48 118.95 124.03 2fw3 s ARG 228 Ca 0.77 -1.14 -0.29 0.00 -1.72 0.00 0.00 55.73 53.36 2fw3 s ARG 228 Cb -0.40 -0.46 -0.11 0.00 -0.45 0.00 0.00 34.95 33.54 2fw3 s ARG 228 CO 0.34 0.06 1.42 -2.14 -0.68 0.00 0.00 175.30 174.30 2fw3 s PRO 229 N -2.80 4.22 4.35 3.54 0.02 -1.26 -3.79 135.00 139.27 2fw3 s PRO 229 Ca 0.05 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2fw3 s PRO 229 Cb -0.03 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2fw3 s PRO 229 CO -0.01 -0.40 0.00 0.09 -0.33 0.00 0.00 177.00 176.35 2fw3 n ASN 230 N 0.87 0.00 -4.62 2.53 3.02 -1.26 -4.71 115.26 111.09 2fw3 n ASN 230 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 2fw3 n ASN 230 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2fw3 n ASN 230 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fw3 s ARG 231 N 0.00 3.93 1.08 3.52 0.52 -1.26 -4.37 118.95 122.37 2fw3 s ARG 231 Ca 0.00 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 55.84 2fw3 s ARG 231 Cb 0.00 -3.78 0.17 0.00 0.52 0.00 0.00 34.95 31.86 2fw3 s ARG 231 CO 0.00 -0.93 0.64 -0.25 0.02 0.00 0.00 175.30 174.77 2fw3 n ASP 232 N 6.83 -1.63 -3.92 0.23 9.92 -0.60 -4.41 116.55 122.97 2fw3 n ASP 232 Ca 0.09 0.03 -0.15 0.00 -0.53 0.00 0.00 54.79 54.24 2fw3 n ASP 232 Cb 0.48 -1.20 -0.14 0.00 -0.64 0.00 0.00 41.12 39.61 2fw3 n ASP 232 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2fw3 s GLU 233 N -4.03 0.27 -0.19 -1.24 2.12 -0.82 -4.89 118.70 109.93 2fw3 s GLU 233 Ca 0.63 -0.11 -0.19 0.00 0.36 0.00 0.00 54.97 55.66 2fw3 s GLU 233 Cb -0.20 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 33.88 2fw3 s GLU 233 CO 0.65 0.06 0.52 -0.51 -0.54 0.00 0.00 175.26 175.44 2fw3 s LEU 234 N -0.01 4.16 -0.08 2.70 1.43 -1.26 -0.65 118.68 124.98 2fw3 s LEU 234 Ca 0.01 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2fw3 s LEU 234 Cb -0.02 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2fw3 s LEU 234 CO -0.00 -0.17 -0.10 0.12 0.23 0.00 0.00 176.35 176.43 2fw3 s PHE 235 N 1.54 2.86 -0.06 0.29 5.36 -0.06 -4.99 117.98 122.93 2fw3 s PHE 235 Ca 0.25 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 2fw3 s PHE 235 Cb -0.15 -1.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.82 2fw3 s PHE 235 CO 0.10 0.18 -0.03 0.99 -1.46 0.00 0.00 175.22 175.00 2fw3 s THR 236 N -0.53 0.52 -0.17 0.12 2.01 -1.26 -0.57 115.64 115.76 2fw3 s THR 236 Ca 0.08 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2fw3 s THR 236 Cb -0.12 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2fw3 s THR 236 CO 0.02 0.25 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.43 2fw3 s ASP 237 N 1.31 3.00 0.18 3.53 2.15 -0.22 -5.02 116.67 121.59 2fw3 s ASP 237 Ca -0.05 -0.65 0.26 0.00 0.43 0.00 0.00 52.55 52.54 2fw3 s ASP 237 Cb -0.14 -1.26 0.70 0.00 -0.30 0.00 0.00 42.92 41.93 2fw3 s ASP 237 CO -0.02 -0.07 1.67 0.35 -0.17 0.00 0.00 175.17 176.92 2fw3 n THR 238 N 4.71 0.53 0.08 1.71 -2.24 -1.26 -3.60 114.28 114.21 2fw3 n THR 238 Ca -0.17 -0.28 0.06 0.00 -2.27 0.00 0.00 64.05 61.40 2fw3 n THR 238 Cb 0.49 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 2fw3 n THR 238 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2fw3 h LYS 239 N 0.00 0.00 -6.40 -0.78 1.57 -1.95 -3.48 116.57 105.53 2fw3 h LYS 239 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2fw3 h LYS 239 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.06 2fw3 h LYS 239 CO 0.00 0.14 0.96 0.00 -0.57 0.00 0.00 179.45 179.97 2fw3 s ALA 240 N -3.16 3.65 -0.23 3.86 0.00 -1.24 -4.92 121.76 119.71 2fw3 s ALA 240 Ca -0.01 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.17 2fw3 s ALA 240 Cb 0.09 -3.67 0.76 0.00 0.00 0.00 0.00 23.12 20.30 2fw3 s ALA 240 CO 0.79 -1.08 1.69 0.54 0.00 0.00 0.00 175.76 177.70 2fw3 n ARG 241 N 5.70 4.42 -4.24 0.00 1.74 -1.26 -4.73 116.66 118.29 2fw3 n ARG 241 Ca 0.15 -3.10 -0.20 0.00 -0.77 0.00 0.00 57.85 53.93 2fw3 n ARG 241 Cb 0.42 -2.18 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 2fw3 n ARG 241 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2fw3 s HIS 242 N -2.81 1.33 -0.03 -1.55 -3.43 -1.26 -2.12 115.29 105.43 2fw3 s HIS 242 Ca 0.52 -0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 54.17 2fw3 s HIS 242 Cb 0.40 -0.75 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 2fw3 s HIS 242 CO 0.14 0.08 0.53 -1.17 -2.00 0.00 0.00 174.74 172.32 2fw3 s LEU 243 N -1.62 4.40 -0.02 5.38 2.96 0.38 -2.38 118.68 127.78 2fw3 s LEU 243 Ca 0.00 1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 54.81 2fw3 s LEU 243 Cb -0.10 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 2fw3 s LEU 243 CO 0.02 0.13 0.39 -0.22 -1.32 0.00 0.00 176.35 175.36 2fw3 s LEU 244 N -0.21 4.45 -0.05 -0.68 2.96 -1.17 -2.66 118.68 121.32 2fw3 s LEU 244 Ca 0.28 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 2fw3 s LEU 244 Cb -0.17 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 43.99 2fw3 s LEU 244 CO 0.15 0.30 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.77 2fw3 s VAL 245 N -0.90 0.40 -0.29 1.68 1.01 -0.25 0.27 120.40 122.33 2fw3 s VAL 245 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 2fw3 s VAL 245 Cb -0.16 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2fw3 s VAL 245 CO 0.12 0.22 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 2fw3 s LEU 246 N 1.25 3.72 -0.14 3.92 1.43 -0.81 -0.52 118.68 127.54 2fw3 s LEU 246 Ca -0.06 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2fw3 s LEU 246 Cb -0.14 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2fw3 s LEU 246 CO -0.02 -0.19 -0.19 -0.60 0.23 0.00 0.00 176.35 175.58 2fw3 s ARG 247 N 1.43 2.73 -1.20 1.70 3.52 -0.86 -2.54 118.95 123.73 2fw3 s ARG 247 Ca 0.01 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2fw3 s ARG 247 Cb -0.17 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 2fw3 s ARG 247 CO 0.00 -0.07 0.00 1.63 -0.81 0.00 0.00 175.30 176.05 2fw3 n LYS 248 N 4.24 -1.66 0.00 5.12 5.02 -1.26 -0.83 118.16 128.79 2fw3 n LYS 248 Ca -0.20 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2fw3 n LYS 248 Cb 0.51 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2fw3 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fw3 n GLY 249 N 0.16 1.69 3.79 0.72 0.00 -1.25 -4.24 105.19 106.05 2fw3 n GLY 249 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2fw3 n GLY 249 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fw3 s HIS 250 N -2.31 3.82 -0.19 1.61 3.76 -0.01 -4.61 115.29 117.35 2fw3 s HIS 250 Ca 0.00 1.59 -0.14 0.00 -0.15 0.00 0.00 55.06 56.37 2fw3 s HIS 250 Cb 0.00 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 2fw3 s HIS 250 CO 0.00 0.44 0.30 -0.06 -0.85 0.00 0.00 174.74 174.56 2fw3 s PHE 251 N -1.30 3.41 0.15 1.40 2.99 -1.26 -2.02 117.98 121.35 2fw3 s PHE 251 Ca 0.39 0.53 0.09 0.00 0.00 0.00 0.00 56.93 57.94 2fw3 s PHE 251 Cb -0.21 -2.38 -0.04 0.00 0.00 0.00 0.00 43.02 40.39 2fw3 s PHE 251 CO 0.25 0.13 -0.19 0.71 -0.00 0.00 0.00 175.22 176.12 2fw3 s TYR 252 N 0.83 1.84 0.07 0.36 2.02 0.32 -1.53 117.35 121.26 2fw3 s TYR 252 Ca 0.15 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 2fw3 s TYR 252 Cb -0.13 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 2fw3 s TYR 252 CO 0.05 0.31 -0.14 0.14 -1.57 0.00 0.00 175.55 174.34 2fw3 s VAL 253 N -1.85 1.10 0.24 0.71 -7.23 -0.98 -1.09 120.40 111.31 2fw3 s VAL 253 Ca 0.14 -1.31 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 2fw3 s VAL 253 Cb -0.07 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.83 2fw3 s VAL 253 CO 0.06 -0.23 0.61 0.72 -0.31 0.00 0.00 175.10 175.95 2fw3 s PHE 254 N -1.30 -0.10 0.05 2.82 -0.12 -1.09 -1.42 117.98 116.82 2fw3 s PHE 254 Ca -0.02 -0.28 -0.30 0.00 -0.05 0.00 0.00 56.93 56.28 2fw3 s PHE 254 Cb -0.10 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2fw3 s PHE 254 CO 0.02 -1.07 1.03 -0.51 -0.05 0.00 0.00 175.22 174.64 2fw3 s ASP 255 N -2.91 7.33 -0.01 1.98 1.01 -1.26 -0.47 116.67 122.35 2fw3 s ASP 255 Ca 0.12 1.79 0.14 0.00 0.71 0.00 0.00 52.55 55.31 2fw3 s ASP 255 Cb -0.03 -2.58 -0.18 0.00 1.01 0.00 0.00 42.92 41.14 2fw3 s ASP 255 CO 0.03 -0.26 0.51 1.33 0.21 0.00 0.00 175.17 176.99 2fw3 n VAL 256 N 3.56 0.00 -4.24 -1.27 0.24 -0.90 -4.84 118.33 110.89 2fw3 n VAL 256 Ca 0.06 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 2fw3 n VAL 256 Cb 0.49 0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 33.40 2fw3 n VAL 256 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2fw3 s LEU 257 N -3.16 1.53 0.76 1.34 1.43 -1.07 -1.34 118.68 118.16 2fw3 s LEU 257 Ca 0.02 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2fw3 s LEU 257 Cb 0.10 -0.46 0.13 0.00 0.03 0.00 0.00 46.19 45.99 2fw3 s LEU 257 CO 0.60 -0.01 1.05 1.51 0.23 0.00 0.00 176.35 179.73 2fw3 s ASP 258 N 0.62 4.21 0.36 2.29 1.47 -0.66 -4.82 116.67 120.14 2fw3 s ASP 258 Ca -0.09 -0.11 0.20 0.00 1.18 0.00 0.00 52.55 53.74 2fw3 s ASP 258 Cb -0.12 -0.27 1.32 0.00 -0.34 0.00 0.00 42.92 43.51 2fw3 s ASP 258 CO 0.00 -1.96 1.56 1.67 0.68 0.00 0.00 175.17 177.12 2fw3 n GLN 259 N -3.01 -0.06 0.14 2.11 -0.06 -1.26 0.06 117.38 115.31 2fw3 n GLN 259 Ca 0.14 1.37 0.01 0.00 -2.00 0.00 0.00 57.00 56.51 2fw3 n GLN 259 Cb 0.60 -2.45 0.11 0.00 -4.06 0.00 0.00 30.24 24.44 2fw3 n GLN 259 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2fw3 h ASP 260 N 0.00 0.00 0.00 1.69 3.32 -2.04 -3.47 116.42 115.93 2fw3 h ASP 260 Ca 0.83 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.88 2fw3 h ASP 260 Cb 2.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.75 2fw3 h ASP 260 CO -0.76 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 2fw3 n GLY 261 N 0.84 1.19 3.77 2.75 0.00 0.11 -5.11 105.19 108.75 2fw3 n GLY 261 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2fw3 n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fw3 s ASN 262 N -2.00 5.67 0.25 1.61 0.02 -1.26 -4.82 114.94 114.41 2fw3 s ASN 262 Ca 0.00 0.17 -0.31 0.00 -1.02 0.00 0.00 52.86 51.70 2fw3 s ASN 262 Cb 0.00 -1.64 -0.13 0.00 0.02 0.00 0.00 41.25 39.50 2fw3 s ASN 262 CO 0.00 0.30 1.43 -0.38 0.02 0.00 0.00 177.10 178.47 2fw3 n ILE 263 N 1.40 1.00 -0.98 0.60 5.41 -1.26 -1.65 119.36 123.88 2fw3 n ILE 263 Ca -0.14 -0.25 -0.31 0.00 1.00 0.00 0.00 62.75 63.04 2fw3 n ILE 263 Cb 0.53 -1.54 0.13 0.00 -0.71 0.00 0.00 39.64 38.05 2fw3 n ILE 263 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fw3 s VAL 264 N -0.10 2.62 -0.29 1.39 1.01 -0.45 -4.84 120.40 119.75 2fw3 s VAL 264 Ca 0.67 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 2fw3 s VAL 264 Cb -0.63 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2fw3 s VAL 264 CO 0.50 -0.26 1.96 0.21 0.00 0.00 0.00 175.10 177.52 2fw3 s ASN 265 N -2.94 5.71 0.09 3.32 3.84 -1.26 -4.86 114.94 118.85 2fw3 s ASN 265 Ca 0.65 1.53 -0.04 0.00 0.21 0.00 0.00 52.86 55.21 2fw3 s ASN 265 Cb -0.21 -2.52 0.14 0.00 -0.55 0.00 0.00 41.25 38.11 2fw3 s ASN 265 CO 0.56 -1.81 0.54 -2.65 -2.79 0.00 0.00 177.10 170.94 2fw3 n PRO 266 N 8.56 -0.04 0.23 0.43 -0.02 -1.26 0.12 135.00 143.02 2fw3 n PRO 266 Ca 0.26 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2fw3 n PRO 266 Cb 0.46 -0.80 0.57 0.00 -0.02 0.00 0.00 33.50 33.71 2fw3 n PRO 266 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2fw3 h LEU 267 N 0.00 0.00 -0.14 2.45 3.38 -1.93 0.28 115.31 119.36 2fw3 h LEU 267 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2fw3 h LEU 267 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2fw3 h LEU 267 CO -0.35 0.21 -0.09 -0.33 0.09 0.00 0.00 178.44 177.96 2fw3 h GLU 268 N 0.00 0.31 -0.04 1.13 5.08 0.68 -1.57 114.58 120.16 2fw3 h GLU 268 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2fw3 h GLU 268 Cb 0.46 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2fw3 h GLU 268 CO 0.03 0.66 0.02 0.82 -1.00 0.00 0.00 179.01 179.54 2fw3 h ILE 269 N -0.05 1.04 -0.66 3.13 2.04 -0.83 0.43 117.51 122.59 2fw3 h ILE 269 Ca 0.03 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 65.93 2fw3 h ILE 269 Cb 0.59 1.04 -0.11 0.00 -0.74 0.00 0.00 36.82 37.60 2fw3 h ILE 269 CO 0.03 0.03 0.08 -0.61 0.00 0.00 0.00 178.15 177.67 2fw3 h GLN 270 N 0.02 0.18 -0.19 2.37 4.15 -0.55 0.15 115.11 121.23 2fw3 h GLN 270 Ca 0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2fw3 h GLN 270 Cb 0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2fw3 h GLN 270 CO -0.00 0.12 0.05 0.00 -1.93 0.00 0.00 178.83 177.06 2fw3 h ALA 271 N 1.58 0.25 -0.82 3.38 0.00 -0.50 0.08 119.26 123.23 2fw3 h ALA 271 Ca 0.36 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2fw3 h ALA 271 Cb 0.59 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2fw3 h ALA 271 CO -0.51 -0.10 0.54 0.45 0.00 0.00 0.00 179.25 179.62 2fw3 h HIS 272 N 0.12 0.94 -0.16 0.00 3.86 0.78 -0.91 115.15 119.78 2fw3 h HIS 272 Ca 0.06 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.09 2fw3 h HIS 272 Cb 0.27 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 28.44 2fw3 h HIS 272 CO 0.01 0.51 -0.68 -0.07 0.86 0.00 0.00 177.93 178.56 2fw3 h LEU 273 N 0.94 0.87 -1.32 2.43 3.38 -0.62 -3.02 115.31 117.98 2fw3 h LEU 273 Ca 0.35 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2fw3 h LEU 273 Cb 0.16 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2fw3 h LEU 273 CO -0.12 1.35 0.53 0.07 0.09 0.00 0.00 178.44 180.36 2fw3 h LYS 274 N 0.45 0.75 0.00 1.13 2.10 -0.30 0.10 116.57 120.81 2fw3 h LYS 274 Ca -0.04 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 2fw3 h LYS 274 Cb 1.31 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.45 2fw3 h LYS 274 CO 0.14 0.50 -0.61 -0.92 -2.00 0.00 0.00 179.45 176.56 2fw3 h TYR 275 N 0.77 0.00 -0.05 0.07 3.20 -1.24 -2.73 116.97 116.99 2fw3 h TYR 275 Ca 0.37 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.99 2fw3 h TYR 275 Cb 0.40 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.69 2fw3 h TYR 275 CO -0.00 0.61 -0.95 0.82 -1.64 0.00 0.00 178.16 177.00 2fw3 h ILE 276 N 0.00 1.28 0.00 1.81 2.04 -1.20 -3.16 117.51 118.29 2fw3 h ILE 276 Ca -0.01 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.70 2fw3 h ILE 276 Cb 1.41 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 2fw3 h ILE 276 CO 0.08 0.67 0.00 0.18 0.00 0.00 0.00 178.15 179.08 2fw3 n LEU 277 N -3.88 0.49 -0.09 1.44 4.77 -0.06 -2.91 117.00 116.76 2fw3 n LEU 277 Ca -0.10 0.68 -0.17 0.00 -0.03 0.00 0.00 56.01 56.39 2fw3 n LEU 277 Cb 0.83 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2fw3 n LEU 277 CO 0.55 -0.71 -0.28 0.28 -1.33 0.00 0.00 177.39 175.90 2fw3 h SER 278 N 0.00 0.00 -0.60 -1.43 0.02 -1.46 -3.48 113.55 106.59 2fw3 h SER 278 Ca 0.00 -0.53 -0.48 0.00 -0.84 0.00 0.00 61.79 59.94 2fw3 h SER 278 Cb 0.15 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.71 2fw3 h SER 278 CO 0.00 1.25 0.10 -0.67 -1.14 0.00 0.00 176.83 176.37 2fw3 n ASP 279 N -4.51 0.12 -0.39 3.07 -0.08 -1.15 -4.88 116.55 108.75 2fw3 n ASP 279 Ca -0.23 0.70 0.04 0.00 -1.51 0.00 0.00 54.79 53.79 2fw3 n ASP 279 Cb 0.55 -0.55 0.05 0.00 2.34 0.00 0.00 41.12 43.52 2fw3 n ASP 279 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2fw3 n SER 280 N 1.16 1.93 -4.70 1.67 3.41 -1.26 -4.95 113.62 110.88 2fw3 n SER 280 Ca 0.13 -1.49 -0.42 0.00 -0.26 0.00 0.00 58.87 56.83 2fw3 n SER 280 Cb 0.03 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2fw3 n SER 280 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2fw3 s SER 281 N -0.79 6.39 0.43 4.04 1.04 -1.26 -4.96 113.70 118.59 2fw3 s SER 281 Ca 0.12 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.37 2fw3 s SER 281 Cb 0.08 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2fw3 s SER 281 CO 0.11 -1.00 0.00 -2.65 0.98 0.00 0.00 173.24 170.68 2fw3 n PRO 282 N 4.98 0.41 -2.54 4.02 -0.02 -1.26 -4.97 135.00 135.62 2fw3 n PRO 282 Ca 0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 2fw3 n PRO 282 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.82 2fw3 n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fw3 s VAL 283 N -0.43 4.45 0.55 -1.45 1.01 -1.26 -4.94 120.40 118.33 2fw3 s VAL 283 Ca 0.00 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 2fw3 s VAL 283 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2fw3 s VAL 283 CO 0.00 -0.07 0.78 -2.65 0.00 0.00 0.00 175.10 173.16 2fw3 n PRO 284 N 5.71 0.80 0.16 2.72 -0.02 -1.26 -4.86 135.00 138.24 2fw3 n PRO 284 Ca 0.11 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2fw3 n PRO 284 Cb 0.46 -1.93 0.51 0.00 -0.02 0.00 0.00 33.50 32.53 2fw3 n PRO 284 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2fw3 n GLU 285 N -0.36 0.12 -3.20 -0.52 -0.58 -1.26 -3.99 120.64 110.85 2fw3 n GLU 285 Ca 0.12 0.61 -0.22 0.00 -0.42 0.00 0.00 57.16 57.26 2fw3 n GLU 285 Cb 0.46 -1.97 -0.07 0.00 -0.57 0.00 0.00 31.44 29.29 2fw3 n GLU 285 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2fw3 n PHE 286 N -2.18 -1.25 -1.96 -0.32 3.72 -1.26 -4.99 117.46 109.23 2fw3 n PHE 286 Ca -0.01 -3.06 -0.42 0.00 -0.05 0.00 0.00 57.45 53.90 2fw3 n PHE 286 Cb 0.10 0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 2fw3 n PHE 286 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2fw3 s PRO 287 N -0.24 4.00 0.00 -1.08 0.02 -1.26 -4.84 135.00 131.60 2fw3 s PRO 287 Ca 0.33 2.10 0.11 0.00 0.02 0.00 0.00 61.00 63.57 2fw3 s PRO 287 Cb 0.10 -4.05 0.51 0.00 0.02 0.00 0.00 34.50 31.07 2fw3 s PRO 287 CO -0.16 -1.07 1.32 0.28 -0.33 0.00 0.00 177.00 177.04 2fw3 n VAL 288 N 5.90 1.05 1.49 3.83 0.31 -1.26 -2.85 118.33 126.79 2fw3 n VAL 288 Ca 0.19 0.26 0.14 0.00 -0.01 0.00 0.00 64.34 64.92 2fw3 n VAL 288 Cb 0.43 -1.07 0.77 0.00 -0.91 0.00 0.00 33.84 33.06 2fw3 n VAL 288 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fw3 n ALA 289 N -1.42 2.47 0.02 3.52 0.00 -1.26 -2.92 120.51 120.92 2fw3 n ALA 289 Ca 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 2fw3 n ALA 289 Cb 0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 2fw3 n ALA 289 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2fw3 h TYR 290 N 0.00 0.83 -0.01 0.00 -1.99 -1.64 -3.27 116.97 110.89 2fw3 h TYR 290 Ca 0.00 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.35 2fw3 h TYR 290 Cb 0.20 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 2fw3 h TYR 290 CO 0.00 1.19 0.48 -0.07 -0.00 0.00 0.00 178.16 179.76 2fw3 h LEU 291 N 0.40 0.00 -1.16 3.88 3.38 -1.80 0.40 115.31 120.40 2fw3 h LEU 291 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2fw3 h LEU 291 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2fw3 h LEU 291 CO 0.15 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.03 2fw3 n THR 292 N -2.82 0.21 0.47 0.22 -2.24 -1.23 -3.30 114.28 105.59 2fw3 n THR 292 Ca -0.01 -0.36 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 2fw3 n THR 292 Cb 0.52 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 69.20 2fw3 n THR 292 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2fw3 n SER 293 N 0.37 1.88 -4.73 3.42 3.41 0.14 -4.62 113.62 113.50 2fw3 n SER 293 Ca 0.16 -1.44 -0.29 0.00 -0.26 0.00 0.00 58.87 57.04 2fw3 n SER 293 Cb 0.34 0.04 0.15 0.00 -0.26 0.00 0.00 64.21 64.49 2fw3 n SER 293 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2fw3 s GLU 294 N -0.98 0.95 0.46 4.33 0.41 -1.21 -4.66 118.70 118.00 2fw3 s GLU 294 Ca 0.13 0.54 -0.22 0.00 -0.41 0.00 0.00 54.97 55.01 2fw3 s GLU 294 Cb 0.09 -1.80 -0.11 0.00 -1.78 0.00 0.00 34.13 30.54 2fw3 s GLU 294 CO 0.15 -2.38 0.66 -1.71 -0.49 0.00 0.00 175.26 171.49 2fw3 n ASN 295 N -3.94 -0.38 0.14 -0.19 2.85 -1.26 -4.14 115.26 108.35 2fw3 n ASN 295 Ca 0.06 0.89 -0.00 0.00 -0.11 0.00 0.00 54.58 55.42 2fw3 n ASN 295 Cb 0.57 -1.19 0.18 0.00 1.24 0.00 0.00 39.78 40.58 2fw3 n ASN 295 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2fw3 h ARG 296 N 0.82 0.00 -0.25 1.20 2.47 -0.50 -2.35 114.38 115.76 2fw3 h ARG 296 Ca -0.43 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.14 2fw3 h ARG 296 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2fw3 h ARG 296 CO 0.52 0.60 -0.45 -0.44 0.56 0.00 0.00 179.97 180.75 2fw3 h ASP 297 N 0.00 0.83 -0.36 7.04 3.32 -1.90 0.26 116.42 125.60 2fw3 h ASP 297 Ca -0.01 -0.54 0.07 0.00 0.02 0.00 0.00 57.03 56.58 2fw3 h ASP 297 Cb 1.10 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 2fw3 h ASP 297 CO 0.08 1.21 -0.04 0.58 -1.72 0.00 0.00 179.24 179.35 2fw3 h VAL 298 N 0.48 0.69 0.09 -1.35 2.07 -1.94 -1.52 116.25 114.77 2fw3 h VAL 298 Ca 0.01 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 2fw3 h VAL 298 Cb 1.06 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2fw3 h VAL 298 CO 0.10 0.01 -1.18 -0.25 0.02 0.00 0.00 177.57 176.28 2fw3 h TRP 299 N 0.06 0.35 -0.40 1.57 -0.00 -1.41 -1.13 115.95 114.98 2fw3 h TRP 299 Ca 0.18 -0.25 0.08 0.00 -0.00 0.00 0.00 58.89 58.90 2fw3 h TRP 299 Cb 0.26 -0.01 -0.09 0.00 -0.00 0.00 0.00 29.16 29.31 2fw3 h TRP 299 CO -0.28 1.20 -0.31 0.00 -0.00 0.00 0.00 178.44 179.04 2fw3 h ALA 300 N 0.70 -0.14 -0.08 2.65 0.00 -0.37 0.97 119.26 123.00 2fw3 h ALA 300 Ca -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2fw3 h ALA 300 Cb 1.91 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 20.38 2fw3 h ALA 300 CO 0.18 -0.70 -0.09 1.49 0.00 0.00 0.00 179.25 180.13 2fw3 h GLU 301 N -0.24 0.19 -0.94 0.00 4.81 -1.06 -1.43 114.58 115.92 2fw3 h GLU 301 Ca 0.18 -0.11 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 2fw3 h GLU 301 Cb 0.53 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 2fw3 h GLU 301 CO -0.54 0.65 0.58 -0.07 -0.73 0.00 0.00 179.01 178.90 2fw3 h LEU 302 N -0.25 0.86 -0.93 1.64 3.38 -1.16 0.12 115.31 118.98 2fw3 h LEU 302 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2fw3 h LEU 302 Cb 0.62 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2fw3 h LEU 302 CO 0.02 0.49 0.58 -0.09 0.09 0.00 0.00 178.44 179.53 2fw3 h ARG 303 N 0.96 1.24 -0.00 1.13 2.43 -0.51 -1.32 114.38 118.30 2fw3 h ARG 303 Ca 0.45 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2fw3 h ARG 303 Cb 0.37 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2fw3 h ARG 303 CO -0.24 0.85 -0.09 0.00 -1.51 0.00 0.00 179.97 178.98 2fw3 n GLN 304 N -4.40 0.63 0.09 0.20 10.64 0.29 -1.95 117.38 122.89 2fw3 n GLN 304 Ca 0.10 -0.18 -0.19 0.00 -1.83 0.00 0.00 57.00 54.90 2fw3 n GLN 304 Cb 0.04 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.77 2fw3 n GLN 304 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2fw3 h LYS 305 N 0.44 0.35 -0.17 2.61 1.57 -0.44 -2.87 116.57 118.06 2fw3 h LYS 305 Ca 0.00 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2fw3 h LYS 305 Cb 0.34 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2fw3 h LYS 305 CO 0.00 1.25 0.11 -0.07 -0.57 0.00 0.00 179.45 180.17 2fw3 h LEU 306 N 0.09 0.19 -0.06 2.94 3.38 -0.59 0.01 115.31 121.27 2fw3 h LEU 306 Ca -0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2fw3 h LEU 306 Cb 2.06 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 2fw3 h LEU 306 CO 0.20 0.14 0.00 0.40 0.09 0.00 0.00 178.44 179.27 2fw3 h ILE 307 N 0.22 1.24 0.00 1.22 1.08 -1.48 -0.37 117.51 119.43 2fw3 h ILE 307 Ca 0.06 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 2fw3 h ILE 307 Cb -0.01 1.62 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2fw3 h ILE 307 CO -0.01 0.20 -0.04 -0.26 -0.69 0.00 0.00 178.15 177.35 2fw3 h PHE 308 N -0.18 0.00 -0.25 1.37 0.05 -1.00 -0.86 116.94 116.07 2fw3 h PHE 308 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 2fw3 h PHE 308 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.27 2fw3 h PHE 308 CO 0.03 0.04 0.00 -0.25 -0.18 0.00 0.00 178.31 177.95 2fw3 n ASP 309 N -3.13 2.05 0.00 2.17 8.00 -0.13 -4.94 116.55 120.57 2fw3 n ASP 309 Ca 0.02 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2fw3 n ASP 309 Cb 0.40 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2fw3 n ASP 309 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fw3 n GLY 310 N 1.19 1.56 0.64 0.44 0.00 -0.33 -4.79 105.19 103.91 2fw3 n GLY 310 Ca 0.16 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2fw3 n GLY 310 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fw3 n ASN 311 N 0.24 2.67 -0.24 1.61 4.13 -0.17 -4.73 115.26 118.76 2fw3 n ASN 311 Ca 0.00 -1.81 -0.00 0.00 1.68 0.00 0.00 54.58 54.44 2fw3 n ASN 311 Cb 0.04 -0.16 0.06 0.00 -1.54 0.00 0.00 39.78 38.19 2fw3 n ASN 311 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2fw3 h GLU 312 N 2.39 -0.04 -0.98 3.52 4.81 -1.77 0.25 114.58 122.77 2fw3 h GLU 312 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2fw3 h GLU 312 Cb 0.67 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 2fw3 h GLU 312 CO 0.00 -0.03 0.63 1.49 -0.73 0.00 0.00 179.01 180.38 2fw3 h GLU 313 N -0.04 1.17 0.00 1.92 4.81 -1.97 0.35 114.58 120.82 2fw3 h GLU 313 Ca 0.32 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2fw3 h GLU 313 Cb 0.54 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2fw3 h GLU 313 CO -0.75 0.77 -0.50 1.15 -0.73 0.00 0.00 179.01 178.95 2fw3 h THR 314 N 1.20 0.89 -0.16 0.32 2.02 -1.31 -2.01 112.91 113.86 2fw3 h THR 314 Ca 0.40 -2.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.35 2fw3 h THR 314 Cb 0.06 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2fw3 h THR 314 CO -0.14 0.49 -0.12 -0.07 0.37 0.00 0.00 175.52 176.05 2fw3 h LEU 315 N 0.00 0.38 -0.25 2.58 3.38 0.86 -2.54 115.31 119.71 2fw3 h LEU 315 Ca -0.01 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.57 2fw3 h LEU 315 Cb 1.34 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2fw3 h LEU 315 CO 0.07 0.75 -0.13 0.11 0.09 0.00 0.00 178.44 179.32 2fw3 h LYS 316 N 0.01 -0.10 -0.99 1.13 1.79 -0.32 0.30 116.57 118.40 2fw3 h LYS 316 Ca 0.03 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.70 2fw3 h LYS 316 Cb 0.63 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.21 2fw3 h LYS 316 CO 0.03 -0.07 0.62 0.87 -1.08 0.00 0.00 179.45 179.82 2fw3 h LYS 317 N -0.11 0.65 -0.34 3.15 1.57 -1.29 0.33 116.57 120.54 2fw3 h LYS 317 Ca 0.14 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2fw3 h LYS 317 Cb 0.31 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2fw3 h LYS 317 CO -0.32 0.43 -0.33 0.28 -0.57 0.00 0.00 179.45 178.93 2fw3 h VAL 318 N 0.67 1.28 0.00 0.50 2.07 -0.50 -3.26 116.25 117.01 2fw3 h VAL 318 Ca 0.55 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 2fw3 h VAL 318 Cb 0.99 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2fw3 h VAL 318 CO -0.33 0.49 -0.43 0.44 0.02 0.00 0.00 177.57 177.76 2fw3 h ASP 319 N 0.64 0.00 -0.00 0.57 5.19 0.16 -3.31 116.42 119.68 2fw3 h ASP 319 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2fw3 h ASP 319 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2fw3 h ASP 319 CO 0.08 0.43 -0.80 -1.54 -3.12 0.00 0.00 179.24 174.29 2fw3 n SER 320 N -3.38 0.98 -4.65 6.45 3.41 -0.77 -4.08 113.62 111.58 2fw3 n SER 320 Ca 0.01 -0.99 -0.49 0.00 -0.26 0.00 0.00 58.87 57.14 2fw3 n SER 320 Cb 0.61 0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 65.44 2fw3 n SER 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fw3 n ALA 321 N -1.25 0.58 -0.35 7.33 0.00 -1.23 -4.34 120.51 121.26 2fw3 n ALA 321 Ca 0.04 0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.99 2fw3 n ALA 321 Cb 0.30 -2.30 0.17 0.00 0.00 0.00 0.00 19.45 17.62 2fw3 n ALA 321 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2fw3 h VAL 322 N 3.95 0.03 0.00 0.00 -1.51 -1.76 -3.24 116.25 113.72 2fw3 h VAL 322 Ca -0.46 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2fw3 h VAL 322 Cb 1.28 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2fw3 h VAL 322 CO 0.87 0.00 0.00 2.22 -1.23 0.00 0.00 177.57 179.43 2fw3 n PHE 323 N -5.58 0.00 -3.68 5.19 1.16 -1.26 0.20 117.46 113.48 2fw3 n PHE 323 Ca 0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.57 2fw3 n PHE 323 Cb 0.55 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.25 2fw3 n PHE 323 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fw3 s LEU 325 N 2.09 4.62 -0.35 0.00 2.96 0.14 0.21 118.68 128.35 2fw3 s LEU 325 Ca 0.03 -0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 2fw3 s LEU 325 Cb -0.12 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 2fw3 s LEU 325 CO -0.04 -0.35 0.44 0.00 -1.32 0.00 0.00 176.35 175.08 2fw3 n LEU 327 N 5.58 5.72 -4.62 0.00 4.77 -1.05 -0.75 117.00 126.65 2fw3 n LEU 327 Ca -0.07 -5.13 -0.40 0.00 -0.03 0.00 0.00 56.01 50.38 2fw3 n LEU 327 Cb 0.49 -1.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2fw3 n LEU 327 CO 0.43 1.53 0.58 0.47 -1.33 0.00 0.00 177.39 179.07 2fw3 n ASP 328 N 2.02 1.11 -2.88 -1.43 9.92 -1.21 -4.67 116.55 119.41 2fw3 n ASP 328 Ca 0.25 0.93 -0.29 0.00 -0.53 0.00 0.00 54.79 55.16 2fw3 n ASP 328 Cb 0.36 -1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 2fw3 n ASP 328 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2fw3 n ASP 329 N -0.05 4.92 -3.59 -2.24 8.00 -1.26 -3.68 116.55 118.64 2fw3 n ASP 329 Ca 0.11 -3.70 -0.14 0.00 0.71 0.00 0.00 54.79 51.76 2fw3 n ASP 329 Cb 0.43 -0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2fw3 n ASP 329 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2fw3 s PHE 330 N -3.59 -0.41 0.49 1.24 -0.12 -1.26 -4.96 117.98 109.36 2fw3 s PHE 330 Ca 0.48 0.50 -0.00 0.00 -0.05 0.00 0.00 56.93 57.86 2fw3 s PHE 330 Cb 0.31 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 2fw3 s PHE 330 CO -0.16 -0.61 0.72 -1.25 -0.05 0.00 0.00 175.22 173.87 2fw3 s PRO 331 N -2.21 2.95 -0.01 1.99 0.04 -1.26 -2.35 135.00 134.15 2fw3 s PRO 331 Ca -0.07 -0.47 -0.26 0.00 0.04 0.00 0.00 61.00 60.24 2fw3 s PRO 331 Cb -0.01 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2fw3 s PRO 331 CO 0.00 -0.41 0.83 -1.64 0.04 0.00 0.00 177.00 175.82 2fw3 s MET 332 N -4.66 4.51 0.09 4.56 -1.94 -1.26 -4.94 119.30 115.66 2fw3 s MET 332 Ca 0.51 1.14 0.14 0.00 -1.71 0.00 0.00 55.69 55.77 2fw3 s MET 332 Cb -0.10 -3.43 -0.13 0.00 2.01 0.00 0.00 34.83 33.17 2fw3 s MET 332 CO 0.39 0.07 0.98 0.87 -0.01 0.00 0.00 175.02 177.32 2fw3 h LYS 333 N 6.53 0.00 0.00 2.03 1.57 -1.97 -3.50 116.57 121.23 2fw3 h LYS 333 Ca -0.42 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 2fw3 h LYS 333 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2fw3 h LYS 333 CO 0.74 0.50 0.04 -0.40 -0.57 0.00 0.00 179.45 179.77 2fw3 n ASP 334 N -3.07 -0.05 -0.06 0.86 5.68 -1.26 -5.02 116.55 113.63 2fw3 n ASP 334 Ca -0.07 -1.01 -0.13 0.00 -0.50 0.00 0.00 54.79 53.08 2fw3 n ASP 334 Cb 0.89 0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.88 2fw3 n ASP 334 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2fw3 h LEU 335 N 0.00 0.38 -0.34 -2.12 3.38 -1.99 -0.79 115.31 113.84 2fw3 h LEU 335 Ca -0.01 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.56 2fw3 h LEU 335 Cb 0.05 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2fw3 h LEU 335 CO 0.01 0.77 -0.06 0.40 0.09 0.00 0.00 178.44 179.66 2fw3 h ILE 336 N -0.00 0.69 0.27 1.22 2.04 -1.98 -0.59 117.51 119.16 2fw3 h ILE 336 Ca 0.03 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2fw3 h ILE 336 Cb 0.66 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2fw3 h ILE 336 CO 0.03 0.01 -0.15 -0.74 0.00 0.00 0.00 178.15 177.30 2fw3 h HIS 337 N 0.03 -0.39 -0.76 1.37 2.76 -1.90 -0.28 115.15 115.97 2fw3 h HIS 337 Ca 0.16 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 2fw3 h HIS 337 Cb 0.24 0.14 -0.12 0.00 1.55 0.00 0.00 27.41 29.21 2fw3 h HIS 337 CO -0.29 -0.24 0.10 1.25 -1.30 0.00 0.00 177.93 177.45 2fw3 h LEU 338 N -0.40 -0.16 -0.21 0.26 6.46 -0.97 -0.60 115.31 119.70 2fw3 h LEU 338 Ca -0.03 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2fw3 h LEU 338 Cb 0.32 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2fw3 h LEU 338 CO 0.04 -0.13 0.07 0.28 -0.62 0.00 0.00 178.44 178.09 2fw3 h SER 339 N 0.18 0.29 -0.83 1.25 0.02 -0.41 0.15 113.55 114.20 2fw3 h SER 339 Ca 0.43 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2fw3 h SER 339 Cb 0.78 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2fw3 h SER 339 CO -0.60 0.40 0.54 0.45 -1.14 0.00 0.00 176.83 176.47 2fw3 h HIS 340 N 0.17 1.02 -0.58 3.45 3.86 -0.60 -1.29 115.15 121.18 2fw3 h HIS 340 Ca 0.07 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2fw3 h HIS 340 Cb 0.20 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2fw3 h HIS 340 CO -0.00 0.62 0.22 1.15 0.86 0.00 0.00 177.93 180.77 2fw3 h THR 341 N 1.09 1.23 0.00 2.45 2.02 -0.75 -0.43 112.91 118.51 2fw3 h THR 341 Ca 0.31 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 2fw3 h THR 341 Cb -0.07 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2fw3 h THR 341 CO -0.09 0.28 -0.90 0.24 0.37 0.00 0.00 175.52 175.42 2fw3 h MET 342 N 0.80 0.00 0.10 6.66 2.07 -0.54 -2.81 114.93 121.20 2fw3 h MET 342 Ca 0.19 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.57 2fw3 h MET 342 Cb 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2fw3 h MET 342 CO -0.01 0.28 -1.30 1.25 1.07 0.00 0.00 176.91 178.20 2fw3 h LEU 343 N 0.00 0.33 0.00 1.22 5.85 -1.16 -3.43 115.31 118.11 2fw3 h LEU 343 Ca -0.07 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.82 2fw3 h LEU 343 Cb 1.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2fw3 h LEU 343 CO 0.04 1.57 -0.46 0.00 -0.34 0.00 0.00 178.44 179.25 2fw3 n HIS 344 N -4.01 0.00 -4.68 1.25 1.44 -0.59 -4.68 115.22 103.95 2fw3 n HIS 344 Ca -0.24 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 2fw3 n HIS 344 Cb 0.86 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.97 2fw3 n HIS 344 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fw3 n GLY 345 N 1.77 -0.01 0.16 -1.39 0.00 -0.27 -3.99 105.19 101.45 2fw3 n GLY 345 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.14 2fw3 n GLY 345 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2fw3 h ASP 346 N 0.00 0.00 0.00 1.61 3.04 -1.88 -3.46 116.42 115.72 2fw3 h ASP 346 Ca 0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2fw3 h ASP 346 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2fw3 h ASP 346 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2fw3 n GLY 347 N 1.18 1.45 0.23 7.15 0.00 -1.26 -4.92 105.19 109.02 2fw3 n GLY 347 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2fw3 n GLY 347 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2fw3 h THR 348 N 0.00 0.00 0.00 2.61 1.35 -1.92 -3.34 112.91 111.61 2fw3 h THR 348 Ca 0.00 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 2fw3 h THR 348 Cb 0.00 1.82 -0.09 0.00 -1.73 0.00 0.00 68.15 68.15 2fw3 h THR 348 CO 0.00 0.00 -0.57 -3.20 -0.25 0.00 0.00 175.52 171.50 2fw3 n ASN 349 N -3.03 1.54 -3.70 5.36 4.05 -1.26 -3.94 115.26 114.28 2fw3 n ASN 349 Ca 0.03 -3.28 -0.13 0.00 0.45 0.00 0.00 54.58 51.65 2fw3 n ASN 349 Cb 0.46 -0.45 -0.13 0.00 1.23 0.00 0.00 39.78 40.89 2fw3 n ASN 349 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2fw3 s ARG 350 N -2.29 0.17 -0.84 1.20 1.81 -1.26 -4.79 118.95 112.95 2fw3 s ARG 350 Ca 0.35 0.63 -0.25 0.00 -1.72 0.00 0.00 55.73 54.74 2fw3 s ARG 350 Cb 0.35 -0.09 0.05 0.00 -0.45 0.00 0.00 34.95 34.81 2fw3 s ARG 350 CO -0.08 -0.22 1.30 -0.46 -0.68 0.00 0.00 175.30 175.16 2fw3 s TRP 351 N 1.81 2.45 0.19 -0.53 -0.11 -1.26 -4.84 118.94 116.65 2fw3 s TRP 351 Ca -0.04 -0.45 0.32 0.00 1.22 0.00 0.00 56.10 57.14 2fw3 s TRP 351 Cb -0.11 -4.60 1.36 0.00 -1.50 0.00 0.00 33.47 28.62 2fw3 s TRP 351 CO -0.08 -1.95 1.99 0.74 -4.62 0.00 0.00 176.95 173.02 2fw3 h PHE 352 N 9.84 0.00 0.00 5.86 0.04 -1.87 -3.07 116.94 127.73 2fw3 h PHE 352 Ca -0.09 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 2fw3 h PHE 352 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2fw3 h PHE 352 CO 1.17 0.06 -0.31 -0.44 -0.60 0.00 0.00 178.31 178.19 2fw3 h ASP 353 N 0.00 0.00 -3.54 2.17 3.32 -1.87 -3.41 116.42 113.09 2fw3 h ASP 353 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2fw3 h ASP 353 Cb 0.51 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.23 2fw3 h ASP 353 CO 0.01 0.31 0.05 1.17 -1.72 0.00 0.00 179.24 179.06 2fw3 n LYS 354 N -4.13 0.77 -0.34 3.56 3.00 -1.16 -1.00 118.16 118.85 2fw3 n LYS 354 Ca -0.02 0.31 0.10 0.00 -0.00 0.00 0.00 58.31 58.70 2fw3 n LYS 354 Cb 0.36 -2.12 0.28 0.00 0.00 0.00 0.00 35.03 33.55 2fw3 n LYS 354 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2fw3 h SER 355 N 0.31 0.78 -5.24 3.14 4.64 -1.70 -3.29 113.55 112.18 2fw3 h SER 355 Ca -0.48 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.03 2fw3 h SER 355 Cb 1.37 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2fw3 h SER 355 CO 0.49 0.33 0.44 0.72 -0.87 0.00 0.00 176.83 177.94 2fw3 s PHE 356 N -5.91 -0.00 -0.08 4.77 -0.12 -1.26 -3.17 117.98 112.20 2fw3 s PHE 356 Ca -0.12 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.32 2fw3 s PHE 356 Cb 0.24 0.72 0.02 0.00 -0.63 0.00 0.00 43.02 43.37 2fw3 s PHE 356 CO 0.80 -1.10 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.98 2fw3 s ASN 357 N -3.14 1.84 -0.47 1.98 0.01 0.13 -3.67 114.94 111.62 2fw3 s ASN 357 Ca 0.16 -0.28 -0.18 0.00 -0.71 0.00 0.00 52.86 51.85 2fw3 s ASN 357 Cb -0.03 -0.79 0.04 0.00 0.41 0.00 0.00 41.25 40.89 2fw3 s ASN 357 CO 0.06 -0.04 0.55 -0.22 -1.51 0.00 0.00 177.10 175.95 2fw3 s LEU 358 N 1.12 4.94 -0.31 0.60 2.96 0.13 -2.48 118.68 125.63 2fw3 s LEU 358 Ca -0.06 -0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 2fw3 s LEU 358 Cb -0.14 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2fw3 s LEU 358 CO -0.01 -0.77 0.30 -0.63 -1.32 0.00 0.00 176.35 173.92 2fw3 s ILE 359 N 2.43 5.23 -0.21 6.68 1.01 -0.98 -0.38 121.20 134.97 2fw3 s ILE 359 Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.92 2fw3 s ILE 359 Cb -0.18 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2fw3 s ILE 359 CO 0.13 0.05 -0.16 -0.69 0.00 0.00 0.00 174.94 174.27 2fw3 s VAL 360 N 1.91 2.04 0.00 2.92 1.01 0.07 -1.20 120.40 127.14 2fw3 s VAL 360 Ca 0.10 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2fw3 s VAL 360 Cb -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2fw3 s VAL 360 CO 0.11 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2fw3 n ALA 361 N 4.57 0.00 0.08 5.51 0.00 -0.36 -3.31 120.51 126.99 2fw3 n ALA 361 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2fw3 n ALA 361 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 2fw3 n ALA 361 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2fw3 h GLU 362 N 0.00 0.12 -0.62 0.00 4.81 -1.54 -2.83 114.58 114.52 2fw3 h GLU 362 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2fw3 h GLU 362 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2fw3 h GLU 362 CO 0.00 1.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 2fw3 n ASP 363 N -3.43 2.78 -0.59 1.04 5.68 -1.26 -4.27 116.55 116.50 2fw3 n ASP 363 Ca -0.04 -2.27 -0.08 0.00 -0.50 0.00 0.00 54.79 51.90 2fw3 n ASP 363 Cb 0.98 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 2fw3 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fw3 n GLY 364 N 0.62 0.93 3.70 6.12 0.00 -1.07 -4.78 105.19 110.71 2fw3 n GLY 364 Ca 0.13 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2fw3 n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fw3 s THR 365 N -2.11 3.35 0.16 2.61 2.01 -1.26 -4.77 115.64 115.64 2fw3 s THR 365 Ca 0.00 0.87 0.08 0.00 0.31 0.00 0.00 61.69 62.95 2fw3 s THR 365 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2fw3 s THR 365 CO 0.00 0.03 -0.17 0.00 -0.69 0.00 0.00 174.62 173.79 2fw3 s ALA 366 N 1.87 1.86 0.30 7.40 0.00 -1.26 -1.22 121.76 130.71 2fw3 s ALA 366 Ca 0.66 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2fw3 s ALA 366 Cb -0.36 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2fw3 s ALA 366 CO 0.29 0.18 0.50 0.00 0.00 0.00 0.00 175.76 176.73 2fw3 n ALA 367 N 0.28 -0.75 -3.88 0.00 0.00 -0.35 -1.94 120.51 113.87 2fw3 n ALA 367 Ca -0.13 -1.21 -0.27 0.00 0.00 0.00 0.00 53.44 51.82 2fw3 n ALA 367 Cb 0.57 0.97 -0.17 0.00 0.00 0.00 0.00 19.45 20.83 2fw3 n ALA 367 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fw3 s VAL 368 N -2.56 1.00 -0.17 0.00 1.01 -0.81 -2.32 120.40 116.55 2fw3 s VAL 368 Ca 0.19 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2fw3 s VAL 368 Cb -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2fw3 s VAL 368 CO 0.14 0.24 0.03 -2.28 0.00 0.00 0.00 175.10 173.24 2fw3 s HIS 369 N 1.70 3.20 0.01 5.22 5.04 -1.04 -1.91 115.29 127.51 2fw3 s HIS 369 Ca 0.03 0.00 0.01 0.00 -1.54 0.00 0.00 55.06 53.56 2fw3 s HIS 369 Cb -0.14 -2.02 -0.01 0.00 0.04 0.00 0.00 32.58 30.45 2fw3 s HIS 369 CO -0.08 0.15 -0.03 -0.59 -2.34 0.00 0.00 174.74 171.86 2fw3 s PHE 370 N 0.22 0.23 0.46 3.88 -0.12 -1.09 0.20 117.98 121.76 2fw3 s PHE 370 Ca 0.02 -0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.46 2fw3 s PHE 370 Cb -0.13 -0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.04 2fw3 s PHE 370 CO 0.01 -0.06 1.19 -2.00 -0.05 0.00 0.00 175.22 174.31 2fw3 s GLU 371 N -0.58 3.75 -0.02 1.99 -6.30 -1.19 -3.81 118.70 112.53 2fw3 s GLU 371 Ca -0.05 1.85 0.17 0.00 -2.50 0.00 0.00 54.97 54.45 2fw3 s GLU 371 Cb -0.04 -2.45 -0.26 0.00 0.00 0.00 0.00 34.13 31.38 2fw3 s GLU 371 CO -0.00 -0.58 0.41 1.58 0.02 0.00 0.00 175.26 176.68 2fw3 n HIS 372 N -0.43 0.00 -0.25 5.30 -0.00 -1.26 -4.63 115.22 113.94 2fw3 n HIS 372 Ca 0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.26 2fw3 n HIS 372 Cb 0.47 -0.37 0.14 0.00 -0.12 0.00 0.00 29.99 30.11 2fw3 n HIS 372 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2fw3 h SER 373 N 0.00 0.54 1.25 0.26 4.64 -1.95 -2.77 113.55 115.52 2fw3 h SER 373 Ca 0.00 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2fw3 h SER 373 Cb 0.77 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2fw3 h SER 373 CO 0.00 0.32 -0.26 4.11 -0.87 0.00 0.00 176.83 180.12 2fw3 h TRP 374 N 0.67 0.00 -2.86 4.77 5.08 -1.97 -3.46 115.95 118.17 2fw3 h TRP 374 Ca 0.35 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.35 2fw3 h TRP 374 Cb 0.33 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.38 2fw3 h TRP 374 CO -0.09 0.26 0.27 0.20 -1.28 0.00 0.00 178.44 177.80 2fw3 s GLY 375 N -4.32 -0.44 0.00 11.11 0.00 -1.04 -4.77 107.32 107.86 2fw3 s GLY 375 Ca 0.02 0.33 0.18 0.00 0.00 0.00 0.00 44.72 45.25 2fw3 s GLY 375 CO 0.67 0.11 1.10 1.22 0.00 0.00 0.00 173.10 176.19 2fw3 n ASP 376 N -0.39 2.58 -0.02 1.64 8.00 -1.26 -4.73 116.55 122.37 2fw3 n ASP 376 Ca -0.12 -1.76 -0.00 0.00 0.71 0.00 0.00 54.79 53.61 2fw3 n ASP 376 Cb 0.63 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2fw3 n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fw3 n GLY 377 N 1.01 0.38 0.07 0.44 0.00 -1.26 -4.87 105.19 100.97 2fw3 n GLY 377 Ca 0.11 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2fw3 n GLY 377 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2fw3 h VAL 378 N 0.00 1.36 -0.91 1.61 2.07 -1.98 -3.16 116.25 115.24 2fw3 h VAL 378 Ca -0.01 -2.09 0.26 0.00 0.82 0.00 0.00 66.70 65.69 2fw3 h VAL 378 Cb 0.42 2.64 -0.15 0.00 -1.52 0.00 0.00 31.29 32.69 2fw3 h VAL 378 CO 0.01 0.46 0.31 0.00 0.02 0.00 0.00 177.57 178.36 2fw3 h ALA 379 N -0.24 1.44 -0.15 1.67 0.00 -1.95 0.82 119.26 120.84 2fw3 h ALA 379 Ca -0.05 0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2fw3 h ALA 379 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2fw3 h ALA 379 CO -0.03 -0.50 -0.70 0.28 0.00 0.00 0.00 179.25 178.29 2fw3 h VAL 380 N 0.22 1.31 -0.52 0.00 2.07 -1.93 -0.54 116.25 116.87 2fw3 h VAL 380 Ca 0.60 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 2fw3 h VAL 380 Cb 1.27 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2fw3 h VAL 380 CO -0.66 0.61 0.08 0.25 0.02 0.00 0.00 177.57 177.87 2fw3 h LEU 381 N 0.46 0.77 0.09 2.57 5.85 -1.12 0.53 115.31 124.46 2fw3 h LEU 381 Ca -0.03 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2fw3 h LEU 381 Cb 1.30 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2fw3 h LEU 381 CO 0.14 0.79 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.89 2fw3 h ARG 382 N 0.78 -0.12 -0.19 1.25 9.65 -0.58 0.95 114.38 126.12 2fw3 h ARG 382 Ca 0.16 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2fw3 h ARG 382 Cb 0.36 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2fw3 h ARG 382 CO 0.01 0.13 0.06 0.35 2.80 0.00 0.00 179.97 183.32 2fw3 h PHE 383 N -0.36 0.11 -0.79 2.20 3.57 -0.94 -1.17 116.94 119.55 2fw3 h PHE 383 Ca -0.01 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2fw3 h PHE 383 Cb 0.31 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2fw3 h PHE 383 CO 0.01 0.06 0.52 0.35 -2.23 0.00 0.00 178.31 177.01 2fw3 h PHE 384 N 0.15 0.87 0.00 0.41 3.57 0.16 -1.82 116.94 120.28 2fw3 h PHE 384 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2fw3 h PHE 384 Cb 0.05 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2fw3 h PHE 384 CO -0.12 0.45 -0.00 -0.91 -2.23 0.00 0.00 178.31 175.50 2fw3 h ASN 385 N 0.85 -0.00 -0.56 0.41 2.35 -0.36 -2.88 115.58 115.38 2fw3 h ASN 385 Ca 0.34 -0.74 0.07 0.00 -0.55 0.00 0.00 56.30 55.43 2fw3 h ASN 385 Cb 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 2fw3 h ASN 385 CO -0.12 0.74 0.23 -0.33 -1.65 0.00 0.00 177.43 176.30 2fw3 h GLU 386 N -0.76 0.42 -0.50 0.81 4.39 -1.12 -2.48 114.58 115.34 2fw3 h GLU 386 Ca -0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2fw3 h GLU 386 Cb 0.74 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2fw3 h GLU 386 CO 0.00 0.28 0.03 0.28 -1.16 0.00 0.00 179.01 178.44 2fw3 h VAL 387 N 0.43 1.24 -0.03 3.13 2.07 -1.42 -0.16 116.25 121.51 2fw3 h VAL 387 Ca 0.27 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2fw3 h VAL 387 Cb 0.28 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2fw3 h VAL 387 CO -0.25 0.35 -0.05 0.15 0.02 0.00 0.00 177.57 177.78 2fw3 h PHE 388 N 0.77 0.12 0.23 1.57 3.57 -1.34 -2.41 116.94 119.44 2fw3 h PHE 388 Ca 0.15 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2fw3 h PHE 388 Cb 0.42 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2fw3 h PHE 388 CO 0.02 0.62 -0.39 -0.09 -2.23 0.00 0.00 178.31 176.24 2fw3 h ARG 389 N -0.42 -0.63 -1.01 1.11 2.43 -1.27 -2.36 114.38 112.23 2fw3 h ARG 389 Ca 0.00 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.37 2fw3 h ARG 389 Cb 0.61 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.21 2fw3 h ARG 389 CO 0.01 -0.42 0.62 0.22 -1.51 0.00 0.00 179.97 178.90 2fw3 h ASP 390 N -0.66 0.87 1.24 -3.80 3.58 -1.09 0.33 116.42 116.89 2fw3 h ASP 390 Ca -0.02 0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2fw3 h ASP 390 Cb 0.61 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2fw3 h ASP 390 CO -0.14 0.39 -0.66 0.77 -2.88 0.00 0.00 179.24 176.73 2fw3 h SER 391 N 0.89 0.00 0.17 2.28 4.64 -1.38 -1.03 113.55 119.12 2fw3 h SER 391 Ca 0.54 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.50 2fw3 h SER 391 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2fw3 h SER 391 CO -0.32 0.66 -1.94 0.71 -0.87 0.00 0.00 176.83 175.07 2fw3 h THR 392 N 0.00 0.69 0.00 2.95 1.35 -0.85 -3.25 112.91 113.79 2fw3 h THR 392 Ca -0.01 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2fw3 h THR 392 Cb 1.45 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2fw3 h THR 392 CO 0.09 0.86 -1.10 0.00 -0.25 0.00 0.00 175.52 175.12 2fw3 n GLN 393 N -3.45 0.32 -2.90 4.72 6.02 0.05 -4.41 117.38 117.73 2fw3 n GLN 393 Ca -0.29 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.56 2fw3 n GLN 393 Cb 1.05 -1.59 0.01 0.00 1.02 0.00 0.00 30.24 30.73 2fw3 n GLN 393 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2fw3 n THR 394 N -2.00 0.40 -1.60 5.09 -1.04 -0.39 -5.05 114.28 109.70 2fw3 n THR 394 Ca 0.01 -3.60 -0.43 0.00 -2.04 0.00 0.00 64.05 57.99 2fw3 n THR 394 Cb 0.45 0.31 -0.00 0.00 -1.82 0.00 0.00 70.33 69.26 2fw3 n THR 394 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2fw3 n PRO 395 N 0.08 1.38 0.08 -2.82 -0.02 -1.23 -4.61 135.00 127.87 2fw3 n PRO 395 Ca 0.15 0.49 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2fw3 n PRO 395 Cb 0.75 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2fw3 n PRO 395 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fw3 h ALA 396 N 1.81 0.65 -2.31 3.55 0.00 -1.88 -3.47 119.26 117.62 2fw3 h ALA 396 Ca -0.42 -0.66 -0.38 0.00 0.00 0.00 0.00 54.91 53.45 2fw3 h ALA 396 Cb 1.34 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 2fw3 h ALA 396 CO 0.59 0.78 -0.59 0.96 0.00 0.00 0.00 179.25 180.98 2fw3 s ILE 397 N -2.95 0.49 0.21 0.00 -4.36 -1.26 -4.97 121.20 108.35 2fw3 s ILE 397 Ca 0.00 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.49 2fw3 s ILE 397 Cb 0.08 -2.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 2fw3 s ILE 397 CO 0.78 0.00 -0.19 0.42 0.24 0.00 0.00 174.94 176.19 2fw3 s THR 398 N -3.68 2.08 -1.54 8.37 -4.23 -1.26 -4.99 115.64 110.39 2fw3 s THR 398 Ca 0.36 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2fw3 s THR 398 Cb 0.07 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.91 2fw3 s THR 398 CO 0.15 -0.34 0.85 -2.65 -0.54 0.00 0.00 174.62 172.09 2fw3 n PRO 399 N -0.05 0.05 -0.12 3.99 -0.02 -1.26 -1.30 135.00 136.29 2fw3 n PRO 399 Ca -0.10 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.34 2fw3 n PRO 399 Cb 0.58 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.46 2fw3 n PRO 399 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fw3 n GLN 400 N -1.23 0.57 -0.19 -0.52 3.00 -1.26 -5.05 117.38 112.70 2fw3 n GLN 400 Ca 0.01 0.42 -0.07 0.00 -0.01 0.00 0.00 57.00 57.35 2fw3 n GLN 400 Cb 0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 30.24 28.63 2fw3 n GLN 400 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2fw3 n SER 401 N -4.35 0.11 -4.65 1.08 7.64 -0.42 -4.87 113.62 108.17 2fw3 n SER 401 Ca -0.42 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.16 2fw3 n SER 401 Cb 0.77 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2fw3 n SER 401 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2fw3 s GLN 402 N 0.28 4.15 0.25 1.43 -1.52 -1.26 -4.95 119.66 118.04 2fw3 s GLN 402 Ca 0.11 1.13 -0.30 0.00 -1.95 0.00 0.00 55.36 54.35 2fw3 s GLN 402 Cb -0.16 -3.69 -0.14 0.00 -0.22 0.00 0.00 33.01 28.80 2fw3 s GLN 402 CO 0.09 -0.73 1.22 -2.30 -0.25 0.00 0.00 175.29 173.32 2fw3 n PRO 403 N 6.49 1.63 -1.61 2.91 -0.02 -1.26 -4.90 135.00 138.25 2fw3 n PRO 403 Ca 0.11 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2fw3 n PRO 403 Cb 0.47 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 2fw3 n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fw3 n ALA 404 N 1.17 0.15 -2.44 3.55 0.00 -0.67 -4.93 120.51 117.32 2fw3 n ALA 404 Ca 0.11 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2fw3 n ALA 404 Cb 0.30 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2fw3 n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fw3 s ALA 405 N -1.26 3.64 0.09 0.00 0.00 -1.26 -4.80 121.76 118.17 2fw3 s ALA 405 Ca 0.63 0.47 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 2fw3 s ALA 405 Cb -0.57 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.03 2fw3 s ALA 405 CO 0.57 -1.10 0.99 -0.08 0.00 0.00 0.00 175.76 176.15 2fw3 s THR 406 N 3.26 0.00 -0.92 0.00 -1.32 -1.26 -5.07 115.64 110.32 2fw3 s THR 406 Ca 0.54 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 60.43 2fw3 s THR 406 Cb -0.22 -1.75 0.20 0.00 -1.51 0.00 0.00 72.50 69.22 2fw3 s THR 406 CO 0.15 0.00 0.96 0.21 -2.21 0.00 0.00 174.62 173.73 2fw3 s ASN 407 N -2.83 6.83 0.11 8.08 3.84 -1.26 -4.90 114.94 124.81 2fw3 s ASN 407 Ca 0.11 -2.68 -0.24 0.00 0.21 0.00 0.00 52.86 50.26 2fw3 s ASN 407 Cb -0.01 -2.27 -0.09 0.00 -0.55 0.00 0.00 41.25 38.33 2fw3 s ASN 407 CO -0.01 -0.67 1.70 0.28 -2.79 0.00 0.00 177.10 175.61 2fw3 h SER 408 N 7.84 -0.28 -0.25 -4.21 0.02 -1.96 -2.24 113.55 112.46 2fw3 h SER 408 Ca 0.15 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 2fw3 h SER 408 Cb 1.00 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2fw3 h SER 408 CO 0.91 -0.15 0.47 0.77 -1.14 0.00 0.00 176.83 177.70 2fw3 h SER 409 N -0.18 0.00 0.09 3.07 4.64 -1.91 0.86 113.55 120.12 2fw3 h SER 409 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 2fw3 h SER 409 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2fw3 h SER 409 CO -0.09 0.00 -2.02 0.00 -0.87 0.00 0.00 176.83 173.85 2fw3 n ALA 410 N -2.10 2.38 -0.10 5.18 0.00 -0.99 -4.56 120.51 120.33 2fw3 n ALA 410 Ca 0.04 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.51 2fw3 n ALA 410 Cb 0.59 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.31 2fw3 n ALA 410 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fw3 n SER 411 N -2.45 1.96 -4.57 0.00 7.64 -0.19 -4.78 113.62 111.22 2fw3 n SER 411 Ca -0.12 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 2fw3 n SER 411 Cb 0.75 -0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2fw3 n SER 411 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fw3 s VAL 412 N -2.47 3.82 0.35 0.44 1.01 0.28 -4.54 120.40 119.29 2fw3 s VAL 412 Ca -0.31 0.69 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 2fw3 s VAL 412 Cb 0.09 -4.53 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 2fw3 s VAL 412 CO 0.60 -1.26 1.03 -0.70 0.00 0.00 0.00 175.10 174.77 2fw3 s GLU 413 N 5.44 4.41 -0.24 2.72 2.12 -0.51 -4.63 118.70 128.02 2fw3 s GLU 413 Ca 0.49 1.54 -0.07 0.00 0.36 0.00 0.00 54.97 57.29 2fw3 s GLU 413 Cb -0.10 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 2fw3 s GLU 413 CO 0.24 0.07 0.06 0.99 -0.54 0.00 0.00 175.26 176.08 2fw3 s THR 414 N -1.51 4.31 0.69 -1.70 2.01 -1.26 -2.31 115.64 115.88 2fw3 s THR 414 Ca 0.52 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2fw3 s THR 414 Cb -0.24 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.29 2fw3 s THR 414 CO 0.30 0.36 1.10 -0.76 -0.69 0.00 0.00 174.62 174.93 2fw3 s LEU 415 N 1.41 3.26 -0.08 4.42 1.43 -0.58 -5.03 118.68 123.51 2fw3 s LEU 415 Ca 0.05 1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 2fw3 s LEU 415 Cb -0.15 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.58 2fw3 s LEU 415 CO 0.03 -1.71 0.18 -0.55 0.23 0.00 0.00 176.35 174.53 2fw3 s SER 416 N -2.95 -0.15 0.15 2.29 0.15 -1.26 -4.77 113.70 107.15 2fw3 s SER 416 Ca 0.64 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2fw3 s SER 416 Cb -0.18 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 2fw3 s SER 416 CO 0.47 -0.16 -0.10 -0.36 1.20 0.00 0.00 173.24 174.29 2fw3 s PHE 417 N 1.21 2.66 -0.39 3.44 0.08 -1.26 -4.96 117.98 118.77 2fw3 s PHE 417 Ca -0.09 -0.20 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 2fw3 s PHE 417 Cb -0.11 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2fw3 s PHE 417 CO -0.07 0.47 0.27 1.21 -0.10 0.00 0.00 175.22 177.00 2fw3 s ASN 418 N -2.59 6.00 -0.53 1.36 2.47 -1.26 -5.05 114.94 115.34 2fw3 s ASN 418 Ca 0.23 -0.85 -0.03 0.00 0.42 0.00 0.00 52.86 52.63 2fw3 s ASN 418 Cb -0.10 -2.12 0.14 0.00 -1.45 0.00 0.00 41.25 37.72 2fw3 s ASN 418 CO 0.14 -0.40 0.34 -0.76 -3.72 0.00 0.00 177.10 172.70 2fw3 s LEU 419 N 1.65 5.30 1.33 3.21 1.43 -1.26 -4.90 118.68 125.44 2fw3 s LEU 419 Ca 0.04 -2.45 -0.21 0.00 -1.03 0.00 0.00 54.13 50.49 2fw3 s LEU 419 Cb -0.19 -1.86 0.32 0.00 0.03 0.00 0.00 46.19 44.49 2fw3 s LEU 419 CO 0.09 -0.47 0.73 -1.54 0.23 0.00 0.00 176.35 175.39 2fw3 n SER 420 N 4.05 -3.85 -0.05 2.29 3.41 -1.26 -4.64 113.62 113.57 2fw3 n SER 420 Ca 0.03 -0.73 -0.11 0.00 -0.26 0.00 0.00 58.87 57.79 2fw3 n SER 420 Cb 0.40 -0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2fw3 n SER 420 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2fw3 h GLY 421 N -3.39 0.29 1.48 5.00 0.00 -1.99 -2.31 103.07 102.15 2fw3 h GLY 421 Ca -0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2fw3 h GLY 421 CO 0.20 0.18 0.20 0.00 0.00 0.00 0.00 176.54 177.12 2fw3 h ALA 422 N 0.83 1.46 0.01 3.60 0.00 -1.99 -0.14 119.26 123.03 2fw3 h ALA 422 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2fw3 h ALA 422 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2fw3 h ALA 422 CO 0.00 0.42 -0.92 -0.07 0.00 0.00 0.00 179.25 178.68 2fw3 h LEU 423 N 0.68 0.05 -0.81 0.00 3.38 -1.88 -1.35 115.31 115.37 2fw3 h LEU 423 Ca 0.17 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2fw3 h LEU 423 Cb 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2fw3 h LEU 423 CO -0.02 0.94 -0.20 0.11 0.09 0.00 0.00 178.44 179.36 2fw3 h LYS 424 N 0.02 0.67 0.10 1.13 1.57 -0.84 -1.81 116.57 117.40 2fw3 h LYS 424 Ca -0.02 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2fw3 h LYS 424 Cb 1.61 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2fw3 h LYS 424 CO 0.12 0.82 -0.08 0.00 -0.57 0.00 0.00 179.45 179.75 2fw3 h ALA 425 N 1.19 -0.17 0.00 3.86 0.00 -0.92 -2.29 119.26 120.93 2fw3 h ALA 425 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2fw3 h ALA 425 Cb 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2fw3 h ALA 425 CO 0.05 -0.61 -0.21 0.78 0.00 0.00 0.00 179.25 179.26 2fw3 h GLY 426 N -0.19 0.00 1.22 0.00 0.00 -1.21 -1.80 103.07 101.09 2fw3 h GLY 426 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.11 2fw3 h GLY 426 CO -0.02 0.00 -0.80 -2.22 0.00 0.00 0.00 176.54 173.50 2fw3 h ILE 427 N 0.00 1.28 0.00 2.60 2.04 -1.21 -1.95 117.51 120.27 2fw3 h ILE 427 Ca -0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.79 2fw3 h ILE 427 Cb 0.61 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2fw3 h ILE 427 CO 0.03 0.64 -0.24 0.00 0.00 0.00 0.00 178.15 178.57 2fw3 h THR 428 N 0.51 0.51 0.09 -0.27 1.03 -1.13 -0.86 112.91 112.79 2fw3 h THR 428 Ca -0.06 -1.28 -0.27 0.00 -0.01 0.00 0.00 66.41 64.79 2fw3 h THR 428 Cb 1.43 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 70.41 2fw3 h THR 428 CO 0.16 0.23 -1.26 0.00 -0.01 0.00 0.00 175.52 174.65 2fw3 h ALA 429 N 1.76 0.22 -0.24 0.00 0.00 -1.31 -2.84 119.26 116.84 2fw3 h ALA 429 Ca -0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 2fw3 h ALA 429 Cb 0.89 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2fw3 h ALA 429 CO 0.03 1.10 -0.02 0.00 0.00 0.00 0.00 179.25 180.36 2fw3 h ALA 430 N 0.68 0.33 -0.82 0.00 0.00 -1.01 -1.88 119.26 116.57 2fw3 h ALA 430 Ca -0.13 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.73 2fw3 h ALA 430 Cb 1.93 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 2fw3 h ALA 430 CO 0.17 0.08 0.28 -0.22 0.00 0.00 0.00 179.25 179.56 2fw3 h LYS 431 N 0.20 0.33 0.10 0.00 3.64 -1.19 -1.41 116.57 118.25 2fw3 h LYS 431 Ca 0.07 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 2fw3 h LYS 431 Cb 0.44 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2fw3 h LYS 431 CO 0.02 0.22 -0.97 1.49 -2.27 0.00 0.00 179.45 177.94 2fw3 h GLU 432 N 0.34 0.47 -0.40 1.90 4.81 -1.28 -2.11 114.58 118.31 2fw3 h GLU 432 Ca 0.49 -0.65 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2fw3 h GLU 432 Cb 0.87 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2fw3 h GLU 432 CO -0.52 1.27 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.79 2fw3 h LYS 433 N -0.02 0.65 0.20 1.92 3.64 -1.19 -2.56 116.57 119.20 2fw3 h LYS 433 Ca -0.15 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2fw3 h LYS 433 Cb 1.70 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 2fw3 h LYS 433 CO 0.19 0.69 -0.28 0.35 -2.27 0.00 0.00 179.45 178.12 2fw3 h PHE 434 N 0.61 -0.74 0.00 1.91 3.57 -1.22 -3.07 116.94 118.00 2fw3 h PHE 434 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2fw3 h PHE 434 Cb 0.42 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2fw3 h PHE 434 CO 0.02 -0.39 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.18 2fw3 h ASP 435 N -0.54 0.00 0.42 0.41 3.32 -1.12 -2.39 116.42 116.53 2fw3 h ASP 435 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2fw3 h ASP 435 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2fw3 h ASP 435 CO -0.11 0.08 -0.20 0.74 -1.72 0.00 0.00 179.24 178.03 2fw3 h THR 436 N 0.00 0.00 -0.73 0.35 2.02 -1.45 -3.16 112.91 109.94 2fw3 h THR 436 Ca -0.00 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 67.11 2fw3 h THR 436 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2fw3 h THR 436 CO 0.01 0.00 0.24 0.74 0.37 0.00 0.00 175.52 176.88 2fw3 h THR 437 N -0.77 0.60 0.00 3.16 2.02 -1.44 -2.03 112.91 114.45 2fw3 h THR 437 Ca -0.06 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2fw3 h THR 437 Cb 0.43 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2fw3 h THR 437 CO 0.09 0.07 -0.10 0.58 0.37 0.00 0.00 175.52 176.53 2fw3 h VAL 438 N 0.36 0.39 0.00 3.16 2.07 -1.51 -1.28 116.25 119.43 2fw3 h VAL 438 Ca 0.41 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2fw3 h VAL 438 Cb 0.65 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2fw3 h VAL 438 CO -0.44 0.09 -0.25 0.11 0.02 0.00 0.00 177.57 177.10 2fw3 h LYS 439 N 0.00 0.00 0.00 1.57 1.57 -1.32 -3.19 116.57 115.20 2fw3 h LYS 439 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2fw3 h LYS 439 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2fw3 h LYS 439 CO 0.01 0.25 -0.17 1.79 -0.57 0.00 0.00 179.45 180.76 2fw3 h THR 440 N 0.00 0.34 -3.44 -0.16 1.35 -1.27 -3.46 112.91 106.28 2fw3 h THR 440 Ca -0.00 -1.20 -0.54 0.00 -0.55 0.00 0.00 66.41 64.12 2fw3 h THR 440 Cb 0.98 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.29 2fw3 h THR 440 CO 0.03 0.17 0.10 -0.22 -0.25 0.00 0.00 175.52 175.35 2fw3 s LEU 441 N -6.42 4.52 -0.06 3.87 2.96 -1.21 -3.45 118.68 118.89 2fw3 s LEU 441 Ca 0.03 1.48 -0.03 0.00 -0.22 0.00 0.00 54.13 55.40 2fw3 s LEU 441 Cb 0.08 -3.22 0.04 0.00 0.50 0.00 0.00 46.19 43.58 2fw3 s LEU 441 CO 0.65 0.20 0.11 -0.44 -1.32 0.00 0.00 176.35 175.54 2fw3 s SER 442 N -1.24 0.87 -0.07 3.68 0.01 -0.19 -5.01 113.70 111.76 2fw3 s SER 442 Ca 0.35 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.86 2fw3 s SER 442 Cb -0.21 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2fw3 s SER 442 CO 0.23 -0.24 -0.24 -0.63 0.41 0.00 0.00 173.24 172.77 2fw3 s ILE 443 N 2.13 2.13 0.26 1.44 1.01 -1.26 -1.88 121.20 125.04 2fw3 s ILE 443 Ca 0.03 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2fw3 s ILE 443 Cb -0.12 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2fw3 s ILE 443 CO -0.04 0.57 0.17 -0.62 0.00 0.00 0.00 174.94 175.01 2fw3 s ASP 444 N -0.06 0.88 0.15 3.58 -1.08 -0.08 -4.76 116.67 115.29 2fw3 s ASP 444 Ca -0.06 -1.52 0.04 0.00 -0.52 0.00 0.00 52.55 50.49 2fw3 s ASP 444 Cb -0.15 0.41 -0.04 0.00 -1.46 0.00 0.00 42.92 41.68 2fw3 s ASP 444 CO 0.05 -0.90 -0.09 -0.94 0.52 0.00 0.00 175.17 173.81 2fw3 s SER 445 N -3.27 1.75 0.04 -0.34 1.04 -1.26 -0.20 113.70 111.47 2fw3 s SER 445 Ca 0.39 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2fw3 s SER 445 Cb 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2fw3 s SER 445 CO 0.17 -0.36 -0.07 0.27 0.98 0.00 0.00 173.24 174.23 2fw3 s ILE 446 N -3.36 0.48 -0.55 -1.02 -4.36 -0.79 -5.00 121.20 106.60 2fw3 s ILE 446 Ca 0.18 -1.17 0.05 0.00 -0.26 0.00 0.00 60.65 59.44 2fw3 s ILE 446 Cb 0.03 -0.70 0.17 0.00 1.25 0.00 0.00 42.46 43.21 2fw3 s ILE 446 CO 0.01 -0.47 0.42 0.00 0.24 0.00 0.00 174.94 175.14 2fw3 n GLN 447 N 1.28 0.98 -2.10 0.37 3.00 -1.26 -2.23 117.38 117.42 2fw3 n GLN 447 Ca -0.22 -3.80 -0.42 0.00 -0.01 0.00 0.00 57.00 52.56 2fw3 n GLN 447 Cb 0.56 -1.95 -0.03 0.00 0.00 0.00 0.00 30.24 28.81 2fw3 n GLN 447 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2fw3 s PHE 448 N -0.70 1.91 -2.44 1.08 5.36 0.04 -4.89 117.98 118.33 2fw3 s PHE 448 Ca 0.29 0.67 0.22 0.00 -0.96 0.00 0.00 56.93 57.15 2fw3 s PHE 448 Cb 0.01 -4.17 0.09 0.00 -0.34 0.00 0.00 43.02 38.61 2fw3 s PHE 448 CO -0.18 -2.53 1.14 1.04 -1.46 0.00 0.00 175.22 173.23 2fw3 n GLN 449 N 8.59 1.77 0.00 10.12 6.02 -1.26 -1.37 117.38 141.25 2fw3 n GLN 449 Ca 0.20 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 2fw3 n GLN 449 Cb 0.49 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2fw3 n GLN 449 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2fw3 n ARG 450 N 0.69 0.52 0.00 -1.09 0.63 -1.26 -4.78 116.66 111.37 2fw3 n ARG 450 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2fw3 n ARG 450 Cb 0.52 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.19 2fw3 n ARG 450 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fw3 n GLY 451 N 0.22 2.88 0.00 5.14 0.00 -0.59 -5.02 105.19 107.83 2fw3 n GLY 451 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2fw3 n GLY 451 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fw3 n GLY 452 N -0.03 3.56 0.18 -0.02 0.00 -1.13 -3.93 105.19 103.81 2fw3 n GLY 452 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2fw3 n GLY 452 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fw3 h LYS 453 N 0.00 0.56 -0.04 1.61 3.64 0.21 -3.04 116.57 119.51 2fw3 h LYS 453 Ca 0.00 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2fw3 h LYS 453 Cb 0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2fw3 h LYS 453 CO 0.00 0.64 -0.21 0.93 -2.27 0.00 0.00 179.45 178.54 2fw3 h GLU 454 N 0.40 -0.22 -0.33 1.90 4.39 -1.63 -1.21 114.58 117.88 2fw3 h GLU 454 Ca 0.11 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.89 2fw3 h GLU 454 Cb 0.34 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 2fw3 h GLU 454 CO 0.01 -0.15 -0.08 0.35 -1.16 0.00 0.00 179.01 177.98 2fw3 h PHE 455 N -0.23 -0.16 -0.44 4.33 3.57 -1.79 -1.58 116.94 120.64 2fw3 h PHE 455 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2fw3 h PHE 455 Cb 0.26 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2fw3 h PHE 455 CO -0.49 -0.14 0.08 -0.07 -2.23 0.00 0.00 178.31 175.47 2fw3 h LEU 456 N 0.00 0.70 -1.81 0.59 3.38 -1.45 -2.23 115.31 114.49 2fw3 h LEU 456 Ca 0.16 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2fw3 h LEU 456 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fw3 h LEU 456 CO -0.33 0.77 0.19 0.11 0.09 0.00 0.00 178.44 179.27 2fw3 h LYS 457 N 0.59 0.25 -0.85 1.13 1.57 -0.96 -1.62 116.57 116.68 2fw3 h LYS 457 Ca 0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2fw3 h LYS 457 Cb 0.37 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2fw3 h LYS 457 CO 0.01 0.16 0.48 0.87 -0.57 0.00 0.00 179.45 180.40 2fw3 h LYS 458 N 0.25 1.18 -0.45 3.15 1.57 -0.69 -2.63 116.57 118.94 2fw3 h LYS 458 Ca 0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2fw3 h LYS 458 Cb 0.15 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2fw3 h LYS 458 CO -0.02 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.33 2fw3 n LYS 459 N -4.35 1.75 -3.39 3.15 4.76 -0.64 -4.88 118.16 114.56 2fw3 n LYS 459 Ca 0.09 -0.85 -0.17 0.00 -2.87 0.00 0.00 58.31 54.52 2fw3 n LYS 459 Cb 0.09 -1.37 0.08 0.00 -1.84 0.00 0.00 35.03 31.99 2fw3 n LYS 459 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2fw3 n GLN 460 N 0.16 -5.58 -4.12 1.97 1.13 -0.99 -5.02 117.38 104.92 2fw3 n GLN 460 Ca 0.08 0.85 -0.15 0.00 -1.94 0.00 0.00 57.00 55.84 2fw3 n GLN 460 Cb 0.31 -5.86 -0.14 0.00 0.11 0.00 0.00 30.24 24.67 2fw3 n GLN 460 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fw3 s LEU 461 N -6.14 2.07 -0.04 1.08 1.43 -0.98 -5.03 118.68 111.07 2fw3 s LEU 461 Ca 0.11 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2fw3 s LEU 461 Cb -0.01 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.92 2fw3 s LEU 461 CO 0.73 -0.01 1.64 -0.55 0.23 0.00 0.00 176.35 178.40 2fw3 s SER 462 N -0.50 6.67 0.50 2.29 0.15 -1.26 -3.85 113.70 117.70 2fw3 s SER 462 Ca -0.01 2.25 0.28 0.00 0.70 0.00 0.00 55.95 59.17 2fw3 s SER 462 Cb -0.04 -2.54 1.29 0.00 -1.71 0.00 0.00 66.02 63.03 2fw3 s SER 462 CO -0.00 -0.91 1.99 -0.65 1.20 0.00 0.00 173.24 174.86 2fw3 h PRO 463 N 9.34 0.00 -0.04 5.44 0.11 -1.92 -2.61 132.00 142.31 2fw3 h PRO 463 Ca -0.40 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.47 2fw3 h PRO 463 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2fw3 h PRO 463 CO 0.95 0.14 -0.93 0.22 -0.21 0.00 0.00 178.00 178.17 2fw3 h ASP 464 N 0.00 0.79 0.06 -2.05 3.58 -2.00 -2.97 116.42 113.83 2fw3 h ASP 464 Ca -0.00 -0.60 -0.16 0.00 0.42 0.00 0.00 57.03 56.69 2fw3 h ASP 464 Cb 0.49 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2fw3 h ASP 464 CO 0.02 1.39 -0.54 0.00 -2.88 0.00 0.00 179.24 177.23 2fw3 h ALA 465 N 0.57 0.73 -0.72 -0.78 0.00 -1.86 -1.67 119.26 115.52 2fw3 h ALA 465 Ca -0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2fw3 h ALA 465 Cb 1.57 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2fw3 h ALA 465 CO 0.18 0.69 0.44 0.28 0.00 0.00 0.00 179.25 180.83 2fw3 h VAL 466 N 0.40 1.20 -0.01 0.00 2.07 -1.42 0.61 116.25 119.10 2fw3 h VAL 466 Ca 0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2fw3 h VAL 466 Cb 1.08 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2fw3 h VAL 466 CO 0.10 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 2fw3 h ALA 467 N 1.49 0.02 -0.44 1.67 0.00 -1.33 0.28 119.26 120.94 2fw3 h ALA 467 Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2fw3 h ALA 467 Cb -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2fw3 h ALA 467 CO -0.05 -0.26 0.30 1.96 0.00 0.00 0.00 179.25 181.20 2fw3 h GLN 468 N -0.40 0.32 -0.43 0.00 1.08 -0.80 0.37 115.11 115.26 2fw3 h GLN 468 Ca 0.00 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2fw3 h GLN 468 Cb 0.44 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2fw3 h GLN 468 CO 0.00 0.21 0.01 1.25 -0.95 0.00 0.00 178.83 179.36 2fw3 h LEU 469 N 0.33 0.73 -0.97 1.46 5.85 0.42 -2.85 115.31 120.29 2fw3 h LEU 469 Ca 0.20 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2fw3 h LEU 469 Cb 0.35 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2fw3 h LEU 469 CO -0.04 0.85 0.63 0.00 -0.34 0.00 0.00 178.44 179.54 2fw3 h ALA 470 N 0.90 1.31 -0.94 1.25 0.00 0.12 -2.20 119.26 119.70 2fw3 h ALA 470 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fw3 h ALA 470 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2fw3 h ALA 470 CO 0.02 0.48 0.00 1.19 0.00 0.00 0.00 179.25 180.94 2fw3 n PHE 471 N -4.49 0.00 -0.20 0.00 3.72 -0.72 -0.19 117.46 115.58 2fw3 n PHE 471 Ca 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.52 2fw3 n PHE 471 Cb 0.13 -0.34 -0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2fw3 n PHE 471 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2fw3 n GLN 472 N -1.53 -0.15 -0.20 -1.08 1.13 -1.09 -0.04 117.38 114.41 2fw3 n GLN 472 Ca 0.00 0.79 -0.08 0.00 -1.94 0.00 0.00 57.00 55.77 2fw3 n GLN 472 Cb 0.00 -1.16 0.02 0.00 0.11 0.00 0.00 30.24 29.21 2fw3 n GLN 472 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 2fw3 h MET 473 N 0.00 0.86 -1.00 -1.09 4.05 -1.27 -1.71 114.93 114.78 2fw3 h MET 473 Ca 0.15 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2fw3 h MET 473 Cb 0.28 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 2fw3 h MET 473 CO -0.50 0.75 0.66 0.00 0.23 0.00 0.00 176.91 178.04 2fw3 h ALA 474 N 1.07 1.33 0.25 0.39 0.00 0.29 -0.16 119.26 122.44 2fw3 h ALA 474 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2fw3 h ALA 474 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fw3 h ALA 474 CO -0.01 0.58 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 2fw3 h PHE 475 N 1.29 -0.32 -1.27 0.00 3.57 -0.73 -2.59 116.94 116.89 2fw3 h PHE 475 Ca 0.39 -0.01 0.38 0.00 3.53 0.00 0.00 57.97 62.26 2fw3 h PHE 475 Cb -0.04 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.71 2fw3 h PHE 475 CO -0.00 -0.20 0.84 1.25 -2.23 0.00 0.00 178.31 177.98 2fw3 h LEU 476 N -0.48 0.24 -1.45 0.59 5.85 -1.35 0.45 115.31 119.17 2fw3 h LEU 476 Ca -0.03 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2fw3 h LEU 476 Cb 0.26 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2fw3 h LEU 476 CO 0.06 -0.05 -0.18 -0.09 -0.34 0.00 0.00 178.44 177.84 2fw3 h ARG 477 N 0.16 0.00 0.00 1.25 2.43 -0.92 -2.71 114.38 114.59 2fw3 h ARG 477 Ca 0.71 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.67 2fw3 h ARG 477 Cb 2.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.80 2fw3 h ARG 477 CO -0.27 0.18 -1.79 0.94 -1.51 0.00 0.00 179.97 177.52 2fw3 n GLN 478 N -3.47 0.34 -0.00 0.20 7.27 0.12 -4.74 117.38 117.09 2fw3 n GLN 478 Ca -0.01 0.09 0.07 0.00 0.07 0.00 0.00 57.00 57.22 2fw3 n GLN 478 Cb 0.35 -1.23 -0.09 0.00 2.41 0.00 0.00 30.24 31.68 2fw3 n GLN 478 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2fw3 n TYR 479 N -3.04 0.00 -2.11 3.69 4.01 0.70 -5.03 117.16 115.39 2fw3 n TYR 479 Ca -0.25 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.40 2fw3 n TYR 479 Cb 0.75 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.62 2fw3 n TYR 479 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fw3 n GLY 480 N 1.50 0.08 3.30 2.72 0.00 -1.02 -4.99 105.19 106.78 2fw3 n GLY 480 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 2fw3 n GLY 480 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fw3 s GLN 481 N -4.33 1.49 -0.22 1.61 -0.21 -1.26 -4.96 119.66 111.79 2fw3 s GLN 481 Ca 0.00 -1.83 0.01 0.00 0.02 0.00 0.00 55.36 53.56 2fw3 s GLN 481 Cb 0.00 -0.04 0.05 0.00 1.00 0.00 0.00 33.01 34.02 2fw3 s GLN 481 CO 0.00 -0.42 -0.11 -0.08 -2.12 0.00 0.00 175.29 172.56 2fw3 s THR 482 N -3.74 1.82 0.26 -0.19 -1.32 -1.26 -3.44 115.64 107.78 2fw3 s THR 482 Ca 0.37 -1.19 0.11 0.00 -1.21 0.00 0.00 61.69 59.77 2fw3 s THR 482 Cb 0.06 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.11 2fw3 s THR 482 CO 0.16 0.14 -0.15 0.68 -2.21 0.00 0.00 174.62 173.24 2fw3 s VAL 483 N 1.30 2.77 -0.08 5.08 -7.23 -1.26 -4.80 120.40 116.19 2fw3 s VAL 483 Ca -0.03 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 2fw3 s VAL 483 Cb -0.17 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 2fw3 s VAL 483 CO -0.08 -0.34 1.81 0.00 -0.31 0.00 0.00 175.10 176.18 2fw3 s ALA 484 N -2.31 3.44 -0.06 1.32 0.00 -1.26 -4.82 121.76 118.07 2fw3 s ALA 484 Ca 0.29 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.24 2fw3 s ALA 484 Cb -0.06 -3.83 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2fw3 s ALA 484 CO 0.16 -1.72 -0.20 0.99 0.00 0.00 0.00 175.76 174.99 2fw3 s THR 485 N 4.88 2.55 -0.19 0.00 2.01 -1.26 -3.01 115.64 120.61 2fw3 s THR 485 Ca 0.81 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 2fw3 s THR 485 Cb -0.34 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.20 2fw3 s THR 485 CO 0.34 0.57 -0.10 -0.47 -0.69 0.00 0.00 174.62 174.27 2fw3 s TYR 486 N -0.39 2.88 -0.13 4.92 5.04 -0.03 -4.37 117.35 125.28 2fw3 s TYR 486 Ca 0.04 -1.08 0.03 0.00 -2.44 0.00 0.00 57.07 53.62 2fw3 s TYR 486 Cb -0.12 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.19 2fw3 s TYR 486 CO 0.02 -0.56 -0.22 -2.00 -1.34 0.00 0.00 175.55 171.45 2fw3 s GLU 487 N 1.23 2.94 0.14 4.97 2.12 -0.69 -1.24 118.70 128.17 2fw3 s GLU 487 Ca 0.03 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.26 2fw3 s GLU 487 Cb -0.14 -2.34 -0.07 0.00 0.26 0.00 0.00 34.13 31.84 2fw3 s GLU 487 CO -0.04 0.03 0.84 0.45 -0.54 0.00 0.00 175.26 176.00 2fw3 s SER 488 N 0.71 7.41 0.01 -1.70 0.15 -1.16 0.37 113.70 119.50 2fw3 s SER 488 Ca -0.10 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2fw3 s SER 488 Cb -0.16 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2fw3 s SER 488 CO 0.01 0.10 -0.02 0.00 1.20 0.00 0.00 173.24 174.53 2fw3 s SER 490 N -0.85 6.97 -0.41 0.00 0.15 -1.26 -2.01 113.70 116.29 2fw3 s SER 490 Ca -0.09 1.15 0.05 0.00 0.70 0.00 0.00 55.95 57.77 2fw3 s SER 490 Cb -0.06 -2.38 0.61 0.00 -1.71 0.00 0.00 66.02 62.48 2fw3 s SER 490 CO -0.01 0.02 1.78 0.35 1.20 0.00 0.00 173.24 176.59 2fw3 n THR 491 N 3.12 3.02 0.71 6.45 -2.24 -0.53 -4.48 114.28 120.33 2fw3 n THR 491 Ca -0.05 -2.24 0.09 0.00 -2.27 0.00 0.00 64.05 59.58 2fw3 n THR 491 Cb 0.51 -0.46 0.42 0.00 -2.10 0.00 0.00 70.33 68.71 2fw3 n THR 491 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fw3 n ALA 492 N -1.13 1.90 1.06 6.98 0.00 -1.25 -2.53 120.51 125.53 2fw3 n ALA 492 Ca 0.52 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 54.01 2fw3 n ALA 492 Cb 1.44 -1.31 0.60 0.00 0.00 0.00 0.00 19.45 20.18 2fw3 n ALA 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fw3 n ALA 493 N -1.46 2.23 -2.27 0.00 0.00 -1.26 0.05 120.51 117.80 2fw3 n ALA 493 Ca 0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2fw3 n ALA 493 Cb 0.21 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2fw3 n ALA 493 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2fw3 s PHE 494 N -2.76 2.87 0.23 0.00 0.08 -1.05 -4.45 117.98 112.89 2fw3 s PHE 494 Ca 0.19 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 2fw3 s PHE 494 Cb 0.17 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.40 2fw3 s PHE 494 CO 0.42 -0.12 1.46 0.21 -0.10 0.00 0.00 175.22 177.09 2fw3 s LYS 495 N -4.18 4.26 -0.46 0.44 2.47 0.52 -2.23 119.74 120.56 2fw3 s LYS 495 Ca 0.48 2.30 0.00 0.00 -1.56 0.00 0.00 55.97 57.19 2fw3 s LYS 495 Cb -0.07 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 2fw3 s LYS 495 CO 0.30 -0.46 0.00 0.72 0.16 0.00 0.00 175.35 176.07 2fw3 n HIS 496 N 2.73 -0.14 -1.63 4.03 8.25 -1.26 -3.97 115.22 123.23 2fw3 n HIS 496 Ca 0.08 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.10 2fw3 n HIS 496 Cb 0.40 -1.78 -0.02 0.00 1.12 0.00 0.00 29.99 29.72 2fw3 n HIS 496 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fw3 n GLY 497 N 0.31 0.11 0.00 -1.41 0.00 -0.94 -4.78 105.19 98.47 2fw3 n GLY 497 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2fw3 n GLY 497 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fw3 n ARG 498 N 0.94 0.00 -4.36 1.61 1.74 -1.26 -4.41 116.66 110.91 2fw3 n ARG 498 Ca 0.09 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 2fw3 n ARG 498 Cb 0.32 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.63 2fw3 n ARG 498 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2fw3 s THR 499 N 1.87 0.96 0.25 0.55 -4.23 -1.26 -1.45 115.64 112.33 2fw3 s THR 499 Ca 0.00 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 2fw3 s THR 499 Cb 0.00 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2fw3 s THR 499 CO 0.00 0.06 0.38 -0.70 -0.54 0.00 0.00 174.62 173.81 2fw3 s GLU 500 N -0.85 3.45 -0.23 3.99 2.56 -0.85 -4.82 118.70 121.94 2fw3 s GLU 500 Ca 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 54.97 54.12 2fw3 s GLU 500 Cb -0.07 -2.87 -0.04 0.00 2.00 0.00 0.00 34.13 33.16 2fw3 s GLU 500 CO 0.01 0.40 0.39 0.99 -0.56 0.00 0.00 175.26 176.49 2fw3 s THR 501 N -2.01 5.19 0.23 -1.70 2.01 -1.26 -2.32 115.64 115.77 2fw3 s THR 501 Ca 0.35 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 2fw3 s THR 501 Cb -0.09 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2fw3 s THR 501 CO 0.30 0.21 0.93 -0.63 -0.69 0.00 0.00 174.62 174.74 2fw3 s ILE 502 N 1.63 4.11 -0.78 1.82 1.01 0.16 -4.80 121.20 124.35 2fw3 s ILE 502 Ca 0.17 2.07 0.01 0.00 0.00 0.00 0.00 60.65 62.89 2fw3 s ILE 502 Cb -0.15 -4.32 0.19 0.00 0.01 0.00 0.00 42.46 38.19 2fw3 s ILE 502 CO 0.08 0.49 0.61 -0.13 0.00 0.00 0.00 174.94 176.00 2fw3 s ARG 503 N -1.12 2.85 0.21 2.79 1.81 -1.26 -1.71 118.95 122.52 2fw3 s ARG 503 Ca 0.41 -3.17 -0.09 0.00 -1.72 0.00 0.00 55.73 51.16 2fw3 s ARG 503 Cb -0.26 -3.72 0.17 0.00 -0.45 0.00 0.00 34.95 30.69 2fw3 s ARG 503 CO 0.32 -1.25 1.86 -1.35 -0.68 0.00 0.00 175.30 174.19 2fw3 h PRO 504 N 5.97 1.07 -5.40 3.54 0.11 -1.95 -3.36 132.00 131.98 2fw3 h PRO 504 Ca 0.12 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 2fw3 h PRO 504 Cb 0.82 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2fw3 h PRO 504 CO 0.78 0.75 0.20 0.00 -0.21 0.00 0.00 178.00 179.53 2fw3 s ALA 505 N -5.98 0.89 0.39 -0.75 0.00 -1.26 -4.82 121.76 110.22 2fw3 s ALA 505 Ca -0.13 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.82 2fw3 s ALA 505 Cb 0.15 -4.59 -0.02 0.00 0.00 0.00 0.00 23.12 18.66 2fw3 s ALA 505 CO 0.80 -5.82 0.34 -1.54 0.00 0.00 0.00 175.76 169.55 2fw3 s SER 506 N 9.84 5.13 0.37 0.00 1.04 -1.26 -4.82 113.70 124.00 2fw3 s SER 506 Ca 0.86 -0.65 0.14 0.00 0.48 0.00 0.00 55.95 56.78 2fw3 s SER 506 Cb -0.10 -0.72 0.99 0.00 0.10 0.00 0.00 66.02 66.30 2fw3 s SER 506 CO 0.08 -0.54 1.77 0.16 0.98 0.00 0.00 173.24 175.69 2fw3 h ILE 507 N 1.11 0.58 -0.29 -1.02 3.07 -1.92 0.35 117.51 119.39 2fw3 h ILE 507 Ca -0.43 -0.17 -0.04 0.00 1.55 0.00 0.00 64.86 65.78 2fw3 h ILE 507 Cb 1.26 0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.84 2fw3 h ILE 507 CO 0.58 0.09 0.04 -0.26 -1.05 0.00 0.00 178.15 177.55 2fw3 h PHE 508 N 0.50 0.51 0.00 0.16 0.04 -1.96 -1.76 116.94 114.43 2fw3 h PHE 508 Ca 0.59 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 61.23 2fw3 h PHE 508 Cb 1.30 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2fw3 h PHE 508 CO -0.00 0.58 -0.24 1.79 -0.60 0.00 0.00 178.31 179.83 2fw3 h THR 509 N 0.30 1.02 0.28 -1.55 1.35 -1.33 -0.94 112.91 112.03 2fw3 h THR 509 Ca 0.09 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 2fw3 h THR 509 Cb 0.35 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2fw3 h THR 509 CO 0.01 0.24 -0.13 0.50 -0.25 0.00 0.00 175.52 175.88 2fw3 h LYS 510 N 0.00 -0.36 -0.26 4.72 3.64 -0.89 -2.75 116.57 120.67 2fw3 h LYS 510 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2fw3 h LYS 510 Cb 0.48 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 2fw3 h LYS 510 CO 0.03 -0.08 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.76 2fw3 h ARG 511 N -1.01 -0.27 -0.39 1.90 2.43 -1.27 0.78 114.38 116.55 2fw3 h ARG 511 Ca -0.04 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2fw3 h ARG 511 Cb 0.44 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2fw3 h ARG 511 CO 0.06 -0.18 0.26 0.00 -1.51 0.00 0.00 179.97 178.60 2fw3 h SER 513 N 0.48 0.60 0.01 0.00 0.02 -1.01 -2.15 113.55 111.50 2fw3 h SER 513 Ca 0.15 -0.70 0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2fw3 h SER 513 Cb 0.01 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2fw3 h SER 513 CO -0.03 1.21 -0.31 -0.33 -1.14 0.00 0.00 176.83 176.23 2fw3 h GLU 514 N 0.04 -0.45 -0.55 3.45 5.08 -0.45 -2.33 114.58 119.38 2fw3 h GLU 514 Ca -0.06 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2fw3 h GLU 514 Cb 1.26 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 2fw3 h GLU 514 CO 0.12 -0.30 -0.50 0.00 -1.00 0.00 0.00 179.01 177.33 2fw3 h ALA 515 N 0.28 -0.53 0.00 3.43 0.00 -0.83 -0.29 119.26 121.32 2fw3 h ALA 515 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2fw3 h ALA 515 Cb 0.54 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2fw3 h ALA 515 CO -0.25 -0.93 -0.04 0.74 0.00 0.00 0.00 179.25 178.77 2fw3 h PHE 516 N -0.28 0.00 0.00 0.00 -1.00 -1.27 -2.99 116.94 111.40 2fw3 h PHE 516 Ca 0.14 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.79 2fw3 h PHE 516 Cb 0.56 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 2fw3 h PHE 516 CO -0.74 0.04 -1.19 0.28 -1.61 0.00 0.00 178.31 175.09 2fw3 n VAL 517 N -3.50 1.01 0.23 -0.55 0.31 -0.29 -4.39 118.33 111.14 2fw3 n VAL 517 Ca -0.02 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 2fw3 n VAL 517 Cb 0.16 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.24 2fw3 n VAL 517 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2fw3 h ARG 518 N -0.48 -0.59 -2.23 5.55 3.08 -1.31 -3.40 114.38 115.02 2fw3 h ARG 518 Ca -0.19 0.04 -0.60 0.00 0.07 0.00 0.00 59.98 59.30 2fw3 h ARG 518 Cb 0.94 0.13 -0.42 0.00 0.08 0.00 0.00 29.97 30.70 2fw3 h ARG 518 CO -0.12 -0.39 -0.57 -0.40 -1.07 0.00 0.00 179.97 177.42 2fw3 n ASP 519 N -4.45 4.02 0.10 7.04 5.68 -1.24 -4.89 116.55 122.80 2fw3 n ASP 519 Ca -0.08 -3.51 0.07 0.00 -0.50 0.00 0.00 54.79 50.77 2fw3 n ASP 519 Cb 0.24 -0.65 0.35 0.00 -1.14 0.00 0.00 41.12 39.92 2fw3 n ASP 519 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2fw3 n PRO 520 N 0.57 0.08 -0.00 0.11 -0.04 -1.13 -1.98 135.00 132.61 2fw3 n PRO 520 Ca 0.30 0.58 0.07 0.00 -0.04 0.00 0.00 63.50 64.41 2fw3 n PRO 520 Cb 0.40 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2fw3 n PRO 520 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2fw3 n SER 521 N -1.95 1.20 0.09 3.54 7.64 -1.26 -4.40 113.62 118.48 2fw3 n SER 521 Ca -0.01 -0.42 0.12 0.00 1.01 0.00 0.00 58.87 59.56 2fw3 n SER 521 Cb 0.03 1.31 0.45 0.00 -1.01 0.00 0.00 64.21 64.99 2fw3 n SER 521 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2fw3 n LYS 522 N -1.64 0.16 -4.69 1.43 4.81 -0.84 -4.74 118.16 112.66 2fw3 n LYS 522 Ca 0.00 0.31 -0.31 0.00 -0.87 0.00 0.00 58.31 57.44 2fw3 n LYS 522 Cb 0.29 -1.76 -0.13 0.00 0.02 0.00 0.00 35.03 33.44 2fw3 n LYS 522 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2fw3 s HIS 523 N -3.19 2.57 0.62 5.64 3.76 -1.26 -5.14 115.29 118.29 2fw3 s HIS 523 Ca 0.07 -0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 54.67 2fw3 s HIS 523 Cb 0.11 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.34 2fw3 s HIS 523 CO 0.43 0.24 0.93 -1.54 -0.85 0.00 0.00 174.74 173.95 2fw3 s SER 524 N -1.37 5.37 0.02 1.40 1.04 -1.26 -4.91 113.70 113.99 2fw3 s SER 524 Ca 0.14 0.62 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 2fw3 s SER 524 Cb -0.10 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 2fw3 s SER 524 CO 0.05 -1.21 1.12 0.58 0.98 0.00 0.00 173.24 174.76 2fw3 h VAL 525 N -0.28 0.00 -0.24 5.02 2.07 -1.96 -1.37 116.25 119.49 2fw3 h VAL 525 Ca -0.45 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.14 2fw3 h VAL 525 Cb 1.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2fw3 h VAL 525 CO 0.60 0.00 0.29 1.23 0.02 0.00 0.00 177.57 179.71 2fw3 h GLY 526 N -0.16 0.00 1.39 2.17 0.00 -1.96 0.18 103.07 104.69 2fw3 h GLY 526 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2fw3 h GLY 526 CO -0.07 0.00 -0.47 -2.09 0.00 0.00 0.00 176.54 173.91 2fw3 h GLU 527 N 0.00 0.66 0.17 4.80 4.81 -1.74 -1.52 114.58 121.76 2fw3 h GLU 527 Ca 0.11 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 2fw3 h GLU 527 Cb 0.69 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2fw3 h GLU 527 CO -0.00 0.98 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.11 2fw3 h LEU 528 N 0.52 -0.20 -1.60 1.64 3.38 0.39 -3.14 115.31 116.30 2fw3 h LEU 528 Ca 0.03 -0.24 0.30 0.00 0.09 0.00 0.00 57.88 58.07 2fw3 h LEU 528 Cb 1.01 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 2fw3 h LEU 528 CO 0.09 0.14 0.74 1.56 0.09 0.00 0.00 178.44 181.07 2fw3 h GLN 529 N -0.56 0.22 -0.15 1.13 4.20 -1.14 -0.30 115.11 118.52 2fw3 h GLN 529 Ca -0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2fw3 h GLN 529 Cb 0.42 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2fw3 h GLN 529 CO 0.04 0.15 -0.14 1.25 -0.67 0.00 0.00 178.83 179.46 2fw3 h HIS 530 N 0.23 0.42 -0.14 2.96 2.76 -1.24 -2.82 115.15 117.33 2fw3 h HIS 530 Ca 0.59 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 2fw3 h HIS 530 Cb 1.83 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.70 2fw3 h HIS 530 CO -0.00 0.74 0.09 0.52 -1.30 0.00 0.00 177.93 177.98 2fw3 h MET 531 N -0.01 0.19 -0.71 5.26 2.86 -1.04 -1.38 114.93 120.09 2fw3 h MET 531 Ca 0.02 -0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.84 2fw3 h MET 531 Cb 0.66 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2fw3 h MET 531 CO 0.03 0.13 0.50 0.52 1.06 0.00 0.00 176.91 179.15 2fw3 h MET 532 N 0.19 0.13 -0.00 1.72 2.07 -1.40 0.96 114.93 118.60 2fw3 h MET 532 Ca 0.05 -0.01 -0.22 0.00 -2.07 0.00 0.00 59.70 57.46 2fw3 h MET 532 Cb -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.68 2fw3 h MET 532 CO -0.01 0.09 -0.91 0.00 1.07 0.00 0.00 176.91 177.14 2fw3 h ALA 533 N 1.66 0.42 0.20 6.32 0.00 -1.09 -0.72 119.26 126.05 2fw3 h ALA 533 Ca 0.35 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2fw3 h ALA 533 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2fw3 h ALA 533 CO -0.05 0.84 -0.22 0.93 0.00 0.00 0.00 179.25 180.75 2fw3 h GLU 534 N 0.20 -0.45 0.12 0.00 4.39 0.16 0.15 114.58 119.15 2fw3 h GLU 534 Ca -0.07 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2fw3 h GLU 534 Cb 1.54 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 2fw3 h GLU 534 CO 0.15 -0.30 -0.16 0.00 -1.16 0.00 0.00 179.01 177.54 2fw3 n SER 536 N -3.33 -0.07 0.28 0.00 2.88 -0.28 -0.51 113.62 112.59 2fw3 n SER 536 Ca -0.03 1.66 -0.11 0.00 -1.33 0.00 0.00 58.87 59.06 2fw3 n SER 536 Cb 0.14 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 62.92 2fw3 n SER 536 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2fw3 h LYS 537 N 0.00 -0.71 -0.99 -1.46 3.64 -0.27 -2.66 116.57 114.13 2fw3 h LYS 537 Ca 0.62 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 60.24 2fw3 h LYS 537 Cb 1.33 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.21 2fw3 h LYS 537 CO -0.91 -0.47 0.61 -0.92 -2.27 0.00 0.00 179.45 175.50 2fw3 h TYR 538 N -0.97 0.98 -0.65 1.91 3.20 -0.36 -0.18 116.97 120.90 2fw3 h TYR 538 Ca -0.07 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.84 2fw3 h TYR 538 Cb 0.56 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2fw3 h TYR 538 CO 0.04 0.24 0.42 1.25 -1.64 0.00 0.00 178.16 178.47 2fw3 h HIS 539 N 0.72 0.79 0.00 -3.82 2.76 -0.77 -1.53 115.15 113.30 2fw3 h HIS 539 Ca 0.55 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.70 2fw3 h HIS 539 Cb 0.92 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2fw3 h HIS 539 CO -0.00 0.48 -0.23 0.78 -1.30 0.00 0.00 177.93 177.66 2fw3 h GLY 540 N 0.85 0.00 1.84 5.26 0.00 -0.67 -0.48 103.07 109.87 2fw3 h GLY 540 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.42 2fw3 h GLY 540 CO -0.07 0.00 -0.69 -1.61 0.00 0.00 0.00 176.54 174.17 2fw3 h GLN 541 N 0.00 0.15 -0.01 4.80 4.15 -0.87 -2.12 115.11 121.21 2fw3 h GLN 541 Ca -0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2fw3 h GLN 541 Cb 0.51 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.22 2fw3 h GLN 541 CO 0.03 0.78 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.50 2fw3 h LEU 542 N 0.10 0.14 -0.63 -2.39 3.38 -0.68 -2.32 115.31 112.92 2fw3 h LEU 542 Ca -0.02 -0.73 0.09 0.00 0.09 0.00 0.00 57.88 57.31 2fw3 h LEU 542 Cb 1.23 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2fw3 h LEU 542 CO 0.10 0.86 0.27 0.74 0.09 0.00 0.00 178.44 180.50 2fw3 h THR 543 N -0.56 0.82 -0.45 0.22 2.02 -1.09 0.45 112.91 114.31 2fw3 h THR 543 Ca -0.01 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2fw3 h THR 543 Cb 0.87 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2fw3 h THR 543 CO 0.03 0.09 0.03 0.50 0.37 0.00 0.00 175.52 176.54 2fw3 h LYS 544 N 0.48 0.77 -0.50 6.66 3.64 -1.47 -2.84 116.57 123.30 2fw3 h LYS 544 Ca 0.31 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2fw3 h LYS 544 Cb 0.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2fw3 h LYS 544 CO -0.28 0.82 -0.19 0.93 -2.27 0.00 0.00 179.45 178.46 2fw3 h GLU 545 N 0.62 1.01 0.27 1.90 5.08 -0.62 -3.05 114.58 119.79 2fw3 h GLU 545 Ca 0.13 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2fw3 h GLU 545 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fw3 h GLU 545 CO 0.02 1.10 -0.28 0.00 -1.00 0.00 0.00 179.01 178.84 2fw3 h ALA 546 N 0.89 -0.96 0.00 3.43 0.00 -0.15 0.30 119.26 122.77 2fw3 h ALA 546 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fw3 h ALA 546 Cb 0.77 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2fw3 h ALA 546 CO 0.06 -0.98 0.64 0.00 0.00 0.00 0.00 179.25 178.97 2fw3 h ALA 547 N -1.26 1.63 -0.15 0.00 0.00 -1.55 0.12 119.26 118.05 2fw3 h ALA 547 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fw3 h ALA 547 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2fw3 h ALA 547 CO -0.04 -0.63 0.00 -1.33 0.00 0.00 0.00 179.25 177.24 2fw3 n MET 548 N -2.64 2.27 -0.38 0.00 2.00 -0.38 -4.72 117.12 113.26 2fw3 n MET 548 Ca -0.01 -1.99 0.00 0.00 0.00 0.00 0.00 57.70 55.70 2fw3 n MET 548 Cb 0.67 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.43 2fw3 n MET 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2fw3 n GLY 549 N 1.34 0.71 1.84 3.03 0.00 0.42 -4.67 105.19 107.85 2fw3 n GLY 549 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 2fw3 n GLY 549 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fw3 n GLN 550 N -2.07 4.19 -0.31 1.61 1.13 0.94 -4.60 117.38 118.26 2fw3 n GLN 550 Ca 0.00 -2.86 0.00 0.00 -1.94 0.00 0.00 57.00 52.20 2fw3 n GLN 550 Cb 0.00 -2.19 0.00 0.00 0.11 0.00 0.00 30.24 28.16 2fw3 n GLN 550 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fw3 n GLY 551 N 0.31 0.16 0.01 1.08 0.00 -1.25 -4.70 105.19 100.80 2fw3 n GLY 551 Ca 0.30 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2fw3 n GLY 551 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2fw3 n PHE 552 N -1.22 0.00 -0.05 1.61 1.16 -1.26 -4.75 117.46 112.94 2fw3 n PHE 552 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 2fw3 n PHE 552 Cb 0.00 -0.11 -0.02 0.00 -1.61 0.00 0.00 39.48 37.74 2fw3 n PHE 552 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 2fw3 h ASP 553 N 0.00 0.18 -0.03 5.98 3.32 -1.95 -1.78 116.42 122.14 2fw3 h ASP 553 Ca -0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2fw3 h ASP 553 Cb 1.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2fw3 h ASP 553 CO 0.00 0.14 -0.13 0.03 -1.72 0.00 0.00 179.24 177.56 2fw3 h ARG 554 N 0.25 0.33 0.28 3.56 2.47 -1.93 -2.41 114.38 116.93 2fw3 h ARG 554 Ca 0.09 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2fw3 h ARG 554 Cb 0.02 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2fw3 h ARG 554 CO -0.06 0.47 -0.13 1.25 0.56 0.00 0.00 179.97 182.05 2fw3 h HIS 555 N 0.31 -0.35 -0.70 3.04 2.76 -1.74 0.11 115.15 118.58 2fw3 h HIS 555 Ca 0.06 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2fw3 h HIS 555 Cb 0.42 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2fw3 h HIS 555 CO 0.01 -0.01 0.37 -0.07 -1.30 0.00 0.00 177.93 176.93 2fw3 h LEU 556 N -0.72 0.87 -0.11 0.26 3.38 -1.33 -1.46 115.31 116.20 2fw3 h LEU 556 Ca -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2fw3 h LEU 556 Cb 0.49 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2fw3 h LEU 556 CO 0.06 0.71 0.02 0.22 0.09 0.00 0.00 178.44 179.55 2fw3 h TYR 557 N 0.98 0.19 -0.05 1.13 3.20 -1.38 -0.50 116.97 120.55 2fw3 h TYR 557 Ca 0.25 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2fw3 h TYR 557 Cb 0.04 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 2fw3 h TYR 557 CO 0.01 0.37 0.13 0.00 -1.64 0.00 0.00 178.16 177.02 2fw3 h ALA 558 N 0.80 1.34 0.16 1.82 0.00 -0.11 -1.47 119.26 121.80 2fw3 h ALA 558 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 2fw3 h ALA 558 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2fw3 h ALA 558 CO 0.00 -0.15 -1.56 -0.07 0.00 0.00 0.00 179.25 177.47 2fw3 h LEU 559 N 0.00 0.53 -0.01 0.00 3.38 -0.63 -3.20 115.31 115.37 2fw3 h LEU 559 Ca 0.02 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.11 2fw3 h LEU 559 Cb 0.28 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2fw3 h LEU 559 CO -0.00 1.70 -0.49 -0.09 0.09 0.00 0.00 178.44 179.65 2fw3 h ARG 560 N -0.08 -0.61 -0.98 1.13 2.43 -0.19 -2.83 114.38 113.25 2fw3 h ARG 560 Ca -0.31 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.11 2fw3 h ARG 560 Cb 1.94 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 31.51 2fw3 h ARG 560 CO 0.13 -0.41 0.56 -0.92 -1.51 0.00 0.00 179.97 177.83 2fw3 h TYR 561 N -0.63 0.96 -0.08 2.20 3.20 -1.42 -1.94 116.97 119.26 2fw3 h TYR 561 Ca 0.03 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 2fw3 h TYR 561 Cb 0.70 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2fw3 h TYR 561 CO -0.49 0.12 -0.75 1.25 -1.64 0.00 0.00 178.16 176.65 2fw3 h LEU 562 N 0.62 0.53 0.00 2.82 5.85 -1.50 -0.10 115.31 123.54 2fw3 h LEU 562 Ca 0.60 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2fw3 h LEU 562 Cb 1.04 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2fw3 h LEU 562 CO -0.44 1.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 2fw3 n ALA 563 N -2.52 -0.06 -0.22 1.25 0.00 -0.75 -1.53 120.51 116.69 2fw3 n ALA 563 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.56 2fw3 n ALA 563 Cb 0.72 0.09 0.32 0.00 0.00 0.00 0.00 19.45 20.57 2fw3 n ALA 563 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2fw3 n THR 564 N -0.93 -0.28 0.07 0.00 -1.04 -1.10 -0.71 114.28 110.30 2fw3 n THR 564 Ca 0.00 1.38 -0.07 0.00 -2.04 0.00 0.00 64.05 63.31 2fw3 n THR 564 Cb 0.00 -2.15 0.06 0.00 -1.82 0.00 0.00 70.33 66.42 2fw3 n THR 564 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fw3 h ALA 565 N 1.32 0.69 -0.01 2.41 0.00 -0.91 -2.81 119.26 119.95 2fw3 h ALA 565 Ca 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2fw3 h ALA 565 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2fw3 h ALA 565 CO -0.55 0.78 -0.03 0.54 0.00 0.00 0.00 179.25 180.00 2fw3 n ARG 566 N -3.81 1.17 -1.85 0.00 5.12 0.12 -4.95 116.66 112.46 2fw3 n ARG 566 Ca -0.03 -0.42 0.00 0.00 -1.93 0.00 0.00 57.85 55.47 2fw3 n ARG 566 Cb 0.69 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2fw3 n ARG 566 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2fw3 n GLY 567 N 1.13 0.55 3.96 -0.13 0.00 -0.68 -5.08 105.19 104.94 2fw3 n GLY 567 Ca 0.20 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2fw3 n GLY 567 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fw3 s LEU 568 N -0.06 3.48 0.94 0.99 1.43 -1.11 -5.00 118.68 119.35 2fw3 s LEU 568 Ca 0.00 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2fw3 s LEU 568 Cb 0.00 -3.07 0.16 0.00 0.03 0.00 0.00 46.19 43.31 2fw3 s LEU 568 CO 0.00 -0.89 1.11 0.20 0.23 0.00 0.00 176.35 177.01 2fw3 s ASN 569 N -4.30 2.81 0.13 2.29 -0.87 -1.26 -4.09 114.94 109.65 2fw3 s ASN 569 Ca 0.52 1.97 -0.31 0.00 -1.57 0.00 0.00 52.86 53.46 2fw3 s ASN 569 Cb -0.10 -2.48 -0.10 0.00 -0.02 0.00 0.00 41.25 38.55 2fw3 s ASN 569 CO 0.38 -3.13 1.68 -0.22 -2.57 0.00 0.00 177.10 173.24 2fw3 s LEU 570 N -6.60 4.38 0.72 0.60 2.96 -1.26 -4.65 118.68 114.83 2fw3 s LEU 570 Ca 0.66 2.65 -0.16 0.00 -0.22 0.00 0.00 54.13 57.06 2fw3 s LEU 570 Cb -0.22 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.92 2fw3 s LEU 570 CO 0.59 -0.91 1.23 -2.84 -1.32 0.00 0.00 176.35 173.10 2fw3 s PRO 571 N 2.01 2.17 0.45 0.98 0.02 -1.26 -4.94 135.00 134.44 2fw3 s PRO 571 Ca 0.75 1.84 0.31 0.00 0.02 0.00 0.00 61.00 63.91 2fw3 s PRO 571 Cb -0.44 -1.83 1.35 0.00 0.02 0.00 0.00 34.50 33.61 2fw3 s PRO 571 CO 0.33 -1.83 1.92 1.49 -0.33 0.00 0.00 177.00 178.58 2fw3 h GLU 572 N -0.16 0.00 -0.47 5.54 4.81 -1.98 -2.95 114.58 119.37 2fw3 h GLU 572 Ca -0.48 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 2fw3 h GLU 572 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2fw3 h GLU 572 CO 0.50 0.00 -0.07 1.25 -0.73 0.00 0.00 179.01 179.96 2fw3 h LEU 573 N 0.00 0.81 0.00 1.64 5.85 -1.92 -2.67 115.31 119.02 2fw3 h LEU 573 Ca 0.00 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.30 2fw3 h LEU 573 Cb 0.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2fw3 h LEU 573 CO 0.00 0.92 -0.98 1.88 -0.34 0.00 0.00 178.44 179.92 2fw3 h TYR 574 N 0.75 0.00 -0.25 1.25 0.05 -1.91 -3.28 116.97 113.59 2fw3 h TYR 574 Ca 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2fw3 h TYR 574 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2fw3 h TYR 574 CO 0.03 0.84 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.91 2fw3 h LEU 575 N 0.00 0.44 -7.03 3.88 3.38 -1.62 -3.39 115.31 110.96 2fw3 h LEU 575 Ca -0.05 -0.31 -0.69 0.00 0.09 0.00 0.00 57.88 56.92 2fw3 h LEU 575 Cb 1.69 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.32 2fw3 h LEU 575 CO 0.10 0.64 0.57 -0.67 0.09 0.00 0.00 178.44 179.17 2fw3 n ASP 576 N -4.62 0.93 -0.29 -0.43 2.03 -1.01 -4.82 116.55 108.33 2fw3 n ASP 576 Ca -0.04 0.91 0.06 0.00 0.52 0.00 0.00 54.79 56.25 2fw3 n ASP 576 Cb 0.25 -0.69 0.15 0.00 -0.72 0.00 0.00 41.12 40.11 2fw3 n ASP 576 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2fw3 h PRO 577 N 4.09 0.03 -0.91 -0.67 0.13 -1.90 0.26 132.00 133.03 2fw3 h PRO 577 Ca -0.33 -0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.06 2fw3 h PRO 577 Cb 1.08 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2fw3 h PRO 577 CO 0.77 0.02 0.67 0.00 -0.23 0.00 0.00 178.00 179.23 2fw3 h ALA 578 N 1.82 2.85 -0.03 -0.56 0.00 -1.94 -1.38 119.26 120.03 2fw3 h ALA 578 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2fw3 h ALA 578 Cb 0.75 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2fw3 h ALA 578 CO -0.82 -1.14 -0.07 -0.92 0.00 0.00 0.00 179.25 176.31 2fw3 h TYR 579 N 0.00 0.13 -0.57 0.00 3.20 -0.72 -2.14 116.97 116.87 2fw3 h TYR 579 Ca 0.43 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.28 2fw3 h TYR 579 Cb 1.77 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.98 2fw3 h TYR 579 CO 0.00 0.67 0.38 1.96 -1.64 0.00 0.00 178.16 179.53 2fw3 h GLN 580 N -0.44 0.65 -0.33 1.82 4.20 -1.45 -2.35 115.11 117.21 2fw3 h GLN 580 Ca -0.00 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 2fw3 h GLN 580 Cb 0.66 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2fw3 h GLN 580 CO 0.02 0.43 -0.37 0.37 -0.67 0.00 0.00 178.83 178.60 2fw3 h GLN 581 N 0.67 0.77 -0.95 1.46 4.15 -1.20 -2.74 115.11 117.27 2fw3 h GLN 581 Ca 0.23 -0.39 0.01 0.00 0.77 0.00 0.00 58.65 59.27 2fw3 h GLN 581 Cb 0.07 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 2fw3 h GLN 581 CO -0.06 1.01 0.63 1.98 -1.93 0.00 0.00 178.83 180.46 2fw3 h MET 582 N 0.63 1.23 -0.90 1.69 4.05 -1.02 -2.33 114.93 118.28 2fw3 h MET 582 Ca 0.06 -0.07 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 2fw3 h MET 582 Cb 0.92 -0.28 -0.11 0.00 -0.80 0.00 0.00 31.60 31.33 2fw3 h MET 582 CO 0.08 0.82 0.24 0.09 0.23 0.00 0.00 176.91 178.37 2fw3 n ASN 583 N -4.43 3.62 -3.56 1.39 4.13 -0.92 -4.55 115.26 110.93 2fw3 n ASN 583 Ca 0.11 -2.81 -0.27 0.00 1.68 0.00 0.00 54.58 53.29 2fw3 n ASN 583 Cb 0.03 -0.67 -0.09 0.00 -1.54 0.00 0.00 39.78 37.51 2fw3 n ASN 583 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2fw3 n HIS 584 N -0.15 2.93 -2.02 3.10 -0.00 -0.88 -5.02 115.22 113.19 2fw3 n HIS 584 Ca 0.28 -4.11 -0.26 0.00 0.46 0.00 0.00 57.72 54.09 2fw3 n HIS 584 Cb 1.06 -0.52 -0.06 0.00 -0.12 0.00 0.00 29.99 30.35 2fw3 n HIS 584 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2fw3 s ASN 585 N -1.89 4.99 0.23 0.26 0.01 -1.26 -4.69 114.94 112.60 2fw3 s ASN 585 Ca 0.34 -0.94 -0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2fw3 s ASN 585 Cb 0.08 -2.57 0.36 0.00 0.41 0.00 0.00 41.25 39.54 2fw3 s ASN 585 CO -0.08 -2.96 1.78 0.40 -1.51 0.00 0.00 177.10 174.72 2fw3 h ILE 586 N 6.94 0.84 -3.61 0.60 2.04 -1.87 -3.34 117.51 119.10 2fw3 h ILE 586 Ca 0.13 -0.21 -0.68 0.00 1.00 0.00 0.00 64.86 65.09 2fw3 h ILE 586 Cb 0.98 0.16 -0.27 0.00 -0.74 0.00 0.00 36.82 36.96 2fw3 h ILE 586 CO 1.20 0.11 -0.62 -0.76 0.00 0.00 0.00 178.15 178.08 2fw3 s LEU 587 N -10.33 3.94 -0.15 1.44 1.43 -1.23 0.63 118.68 114.41 2fw3 s LEU 587 Ca -0.12 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 2fw3 s LEU 587 Cb 0.19 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2fw3 s LEU 587 CO 0.77 -0.22 -0.09 -0.55 0.23 0.00 0.00 176.35 176.49 2fw3 s SER 588 N 1.47 4.25 0.07 2.29 0.15 -0.99 -0.85 113.70 120.10 2fw3 s SER 588 Ca 0.02 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2fw3 s SER 588 Cb -0.18 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 2fw3 s SER 588 CO 0.02 0.13 -0.08 0.42 1.20 0.00 0.00 173.24 174.93 2fw3 s THR 589 N 0.59 0.71 -0.28 6.45 -4.23 -0.37 -0.95 115.64 117.55 2fw3 s THR 589 Ca -0.06 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 58.75 2fw3 s THR 589 Cb -0.15 -1.14 0.11 0.00 1.34 0.00 0.00 72.50 72.65 2fw3 s THR 589 CO 0.03 -0.57 0.88 -0.55 -0.54 0.00 0.00 174.62 173.86 2fw3 s SER 590 N -2.25 -0.64 0.14 3.99 0.15 -0.93 -2.98 113.70 111.18 2fw3 s SER 590 Ca 0.01 1.12 0.05 0.00 0.70 0.00 0.00 55.95 57.84 2fw3 s SER 590 Cb -0.04 1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 65.43 2fw3 s SER 590 CO -0.01 -0.19 -0.12 0.28 1.20 0.00 0.00 173.24 174.40 2fw3 s THR 591 N 0.83 1.28 -0.19 6.45 -1.32 -1.26 -2.36 115.64 119.07 2fw3 s THR 591 Ca -0.03 -1.94 -0.13 0.00 -1.21 0.00 0.00 61.69 58.38 2fw3 s THR 591 Cb -0.05 -1.73 0.06 0.00 -1.51 0.00 0.00 72.50 69.27 2fw3 s THR 591 CO -0.10 -0.61 0.48 -0.76 -2.21 0.00 0.00 174.62 171.42 2fw3 s LEU 592 N -2.90 -0.15 -0.30 9.08 1.43 -1.25 -5.04 118.68 119.55 2fw3 s LEU 592 Ca 0.14 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2fw3 s LEU 592 Cb -0.01 1.60 -0.00 0.00 0.03 0.00 0.00 46.19 47.81 2fw3 s LEU 592 CO 0.02 -0.19 0.11 0.20 0.23 0.00 0.00 176.35 176.72 2fw3 s ASN 593 N 1.09 5.32 -0.19 2.29 0.01 -1.26 -4.80 114.94 117.40 2fw3 s ASN 593 Ca -0.07 -0.58 -0.16 0.00 -0.71 0.00 0.00 52.86 51.34 2fw3 s ASN 593 Cb -0.06 -1.94 0.05 0.00 0.41 0.00 0.00 41.25 39.71 2fw3 s ASN 593 CO -0.10 -0.18 0.50 -0.55 -1.51 0.00 0.00 177.10 175.26 2fw3 s SER 594 N 1.56 -0.53 0.00 -1.22 0.15 -1.26 -5.02 113.70 107.38 2fw3 s SER 594 Ca 0.04 1.01 0.15 0.00 0.70 0.00 0.00 55.95 57.85 2fw3 s SER 594 Cb -0.17 1.00 0.89 0.00 -1.71 0.00 0.00 66.02 66.03 2fw3 s SER 594 CO 0.04 -0.18 1.37 -0.81 1.20 0.00 0.00 173.24 174.87 2fw3 n PRO 595 N 3.03 0.70 0.00 5.44 -0.04 -1.26 -2.64 135.00 140.24 2fw3 n PRO 595 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2fw3 n PRO 595 Cb 0.56 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.59 2fw3 n PRO 595 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fw3 n ALA 596 N -0.83 2.01 -2.51 0.55 0.00 -1.26 -4.85 120.51 113.61 2fw3 n ALA 596 Ca 0.11 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.49 2fw3 n ALA 596 Cb 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 2fw3 n ALA 596 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fw3 s VAL 597 N -2.95 4.90 -0.17 0.00 1.01 -1.08 -0.95 120.40 121.16 2fw3 s VAL 597 Ca -0.05 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 2fw3 s VAL 597 Cb 0.09 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 2fw3 s VAL 597 CO 0.83 0.37 -0.17 -1.54 0.00 0.00 0.00 175.10 174.59 2fw3 n SER 598 N 2.97 1.86 -3.77 3.32 3.41 0.16 -4.67 113.62 116.89 2fw3 n SER 598 Ca -0.05 0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 58.95 2fw3 n SER 598 Cb 0.51 -0.85 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 2fw3 n SER 598 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2fw3 s LEU 599 N -8.05 1.00 0.37 1.04 2.34 -1.24 -5.02 118.68 109.12 2fw3 s LEU 599 Ca -0.22 -1.36 -0.04 0.00 0.06 0.00 0.00 54.13 52.57 2fw3 s LEU 599 Cb 0.04 1.03 0.02 0.00 -0.56 0.00 0.00 46.19 46.72 2fw3 s LEU 599 CO 0.34 -1.07 0.55 -0.83 -1.06 0.00 0.00 176.35 174.29 2fw3 s GLY 600 N -3.18 1.34 0.00 -3.48 0.00 -1.26 0.43 107.32 101.17 2fw3 s GLY 600 Ca 0.33 -1.41 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 2fw3 s GLY 600 CO 0.16 -0.87 1.08 -0.32 0.00 0.00 0.00 173.10 173.14 2fw3 s GLY 601 N -3.22 -0.35 0.04 0.20 0.00 -0.86 -4.73 107.32 98.40 2fw3 s GLY 601 Ca 0.28 0.77 -0.21 0.00 0.00 0.00 0.00 44.72 45.56 2fw3 s GLY 601 CO 0.20 0.21 0.47 -0.11 0.00 0.00 0.00 173.10 173.87 2fw3 s PHE 602 N -2.85 -0.36 0.99 1.90 -0.12 -1.26 -1.59 117.98 114.69 2fw3 s PHE 602 Ca 0.11 0.37 -0.12 0.00 -0.05 0.00 0.00 56.93 57.23 2fw3 s PHE 602 Cb 0.00 0.29 0.14 0.00 -0.63 0.00 0.00 43.02 42.82 2fw3 s PHE 602 CO -0.03 -0.61 0.81 0.00 -0.05 0.00 0.00 175.22 175.34 2fw3 n ALA 603 N 0.46 -1.96 -0.77 1.99 0.00 -1.25 -4.62 120.51 114.36 2fw3 n ALA 603 Ca -0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 2fw3 n ALA 603 Cb 0.60 -1.99 0.17 0.00 0.00 0.00 0.00 19.45 18.22 2fw3 n ALA 603 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2fw3 s PRO 604 N -4.21 0.93 0.00 0.00 0.02 -1.26 -4.49 135.00 125.99 2fw3 s PRO 604 Ca 0.63 1.37 0.22 0.00 0.02 0.00 0.00 61.00 63.25 2fw3 s PRO 604 Cb -0.22 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 2fw3 s PRO 604 CO 0.63 -2.63 1.06 1.33 -0.33 0.00 0.00 177.00 177.05 2fw3 n VAL 605 N -4.22 0.00 -4.10 3.83 0.24 -1.26 -4.76 118.33 108.06 2fw3 n VAL 605 Ca 0.10 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.19 2fw3 n VAL 605 Cb 0.53 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.85 2fw3 n VAL 605 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2fw3 s VAL 606 N -2.72 0.18 0.43 3.34 -7.23 -1.26 -4.97 120.40 108.16 2fw3 s VAL 606 Ca 0.14 -1.80 0.14 0.00 -1.81 0.00 0.00 61.98 58.64 2fw3 s VAL 606 Cb 0.17 -1.68 0.33 0.00 0.56 0.00 0.00 36.38 35.76 2fw3 s VAL 606 CO 0.70 -0.80 1.98 -0.65 -0.31 0.00 0.00 175.10 176.02 2fw3 h PRO 607 N 3.03 0.41 -0.95 4.82 0.11 -1.98 -2.99 132.00 134.45 2fw3 h PRO 607 Ca -0.34 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.13 2fw3 h PRO 607 Cb 1.16 -0.09 -0.37 0.00 0.11 0.00 0.00 31.00 31.81 2fw3 h PRO 607 CO 0.63 0.27 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.24 2fw3 n ASP 608 N -4.47 6.14 -2.32 -2.05 5.75 -1.26 -4.63 116.55 113.71 2fw3 n ASP 608 Ca 0.10 -3.77 -0.11 0.00 -0.01 0.00 0.00 54.79 51.00 2fw3 n ASP 608 Cb 0.37 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 2fw3 n ASP 608 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fw3 n GLY 609 N -0.77 3.57 3.22 6.12 0.00 -1.13 -4.87 105.19 111.32 2fw3 n GLY 609 Ca 0.52 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 2fw3 n GLY 609 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fw3 s PHE 610 N -2.49 1.75 -0.44 1.61 0.08 0.20 -4.37 117.98 114.32 2fw3 s PHE 610 Ca 0.15 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 2fw3 s PHE 610 Cb 0.01 -1.09 0.12 0.00 -0.57 0.00 0.00 43.02 41.49 2fw3 s PHE 610 CO 0.11 0.02 0.24 0.20 -0.10 0.00 0.00 175.22 175.69 2fw3 s GLY 611 N -0.78 2.07 -0.37 4.36 0.00 -0.52 -2.35 107.32 109.74 2fw3 s GLY 611 Ca 0.07 -2.66 -0.11 0.00 0.00 0.00 0.00 44.72 42.02 2fw3 s GLY 611 CO 0.00 1.04 0.21 -0.42 0.00 0.00 0.00 173.10 173.93 2fw3 s ILE 612 N 0.94 4.63 -0.19 0.90 1.09 -0.12 -1.48 121.20 126.98 2fw3 s ILE 612 Ca 0.10 -0.81 -0.10 0.00 -1.10 0.00 0.00 60.65 58.73 2fw3 s ILE 612 Cb -0.22 -3.57 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 2fw3 s ILE 612 CO -0.04 -0.22 0.15 0.00 -0.10 0.00 0.00 174.94 174.72 2fw3 s ALA 613 N 1.57 3.69 0.03 9.38 0.00 -0.88 -2.20 121.76 133.35 2fw3 s ALA 613 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2fw3 s ALA 613 Cb -0.19 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2fw3 s ALA 613 CO 0.07 0.17 -0.00 1.52 0.00 0.00 0.00 175.76 177.51 2fw3 s TYR 614 N 0.33 0.30 -0.11 0.00 -0.85 -0.99 0.05 117.35 116.08 2fw3 s TYR 614 Ca 0.09 -0.64 -0.05 0.00 -0.52 0.00 0.00 57.07 55.95 2fw3 s TYR 614 Cb -0.11 -0.22 0.05 0.00 0.38 0.00 0.00 41.96 42.06 2fw3 s TYR 614 CO -0.01 -0.27 0.24 0.00 -1.52 0.00 0.00 175.55 173.99 2fw3 s ALA 615 N -2.24 -0.51 -0.48 9.51 0.00 0.11 -3.91 121.76 124.23 2fw3 s ALA 615 Ca -0.09 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 2fw3 s ALA 615 Cb -0.04 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2fw3 s ALA 615 CO -0.04 -0.41 0.56 0.08 0.00 0.00 0.00 175.76 175.95 2fw3 s VAL 616 N 1.83 4.97 0.63 0.00 1.01 -1.26 -0.60 120.40 126.99 2fw3 s VAL 616 Ca -0.04 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2fw3 s VAL 616 Cb -0.11 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.14 2fw3 s VAL 616 CO -0.08 -0.70 0.87 -1.00 0.00 0.00 0.00 175.10 174.19 2fw3 s HIS 617 N 2.39 1.69 0.18 5.22 3.76 0.15 -4.73 115.29 123.95 2fw3 s HIS 617 Ca 0.13 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.42 2fw3 s HIS 617 Cb -0.20 -2.63 0.13 0.00 1.11 0.00 0.00 32.58 31.00 2fw3 s HIS 617 CO 0.12 -1.35 1.64 -0.44 -0.85 0.00 0.00 174.74 173.86 2fw3 h ASP 618 N -0.13 -0.61 0.00 1.40 3.32 -1.95 0.48 116.42 118.93 2fw3 h ASP 618 Ca -0.34 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2fw3 h ASP 618 Cb 1.28 0.35 0.00 0.00 0.22 0.00 0.00 39.33 41.18 2fw3 h ASP 618 CO 0.42 -0.21 0.00 0.47 -1.72 0.00 0.00 179.24 178.20 2fw3 n ASP 619 N -5.38 1.46 -3.61 6.45 8.00 -1.26 -0.81 116.55 121.40 2fw3 n ASP 619 Ca 0.03 -1.59 -0.10 0.00 0.71 0.00 0.00 54.79 53.84 2fw3 n ASP 619 Cb 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 2fw3 n ASP 619 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2fw3 s TRP 620 N -0.59 -0.32 -0.17 1.24 1.48 -1.24 -1.54 118.94 117.81 2fw3 s TRP 620 Ca 0.00 0.01 0.01 0.00 -1.06 0.00 0.00 56.10 55.06 2fw3 s TRP 620 Cb 0.00 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.84 2fw3 s TRP 620 CO 0.00 -0.93 -0.19 0.42 -4.06 0.00 0.00 176.95 172.20 2fw3 s ILE 621 N -3.82 1.93 -0.09 0.66 1.01 -0.47 0.34 121.20 120.76 2fw3 s ILE 621 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2fw3 s ILE 621 Cb -0.02 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2fw3 s ILE 621 CO -0.06 0.52 -0.08 -0.83 0.00 0.00 0.00 174.94 174.49 2fw3 s GLY 622 N 1.32 1.67 0.06 6.18 0.00 0.24 -0.78 107.32 116.00 2fw3 s GLY 622 Ca 0.04 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.94 2fw3 s GLY 622 CO -0.12 -0.50 -0.17 0.00 0.00 0.00 0.00 173.10 172.31 2fw3 s ASN 624 N -1.50 2.95 -0.09 0.00 2.47 0.11 -1.89 114.94 116.99 2fw3 s ASN 624 Ca 0.03 -0.92 0.02 0.00 0.42 0.00 0.00 52.86 52.41 2fw3 s ASN 624 Cb -0.09 -0.48 -0.02 0.00 -1.45 0.00 0.00 41.25 39.21 2fw3 s ASN 624 CO 0.02 -0.35 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.20 2fw3 s VAL 625 N 1.96 2.82 0.12 -5.21 1.01 0.72 -2.07 120.40 119.75 2fw3 s VAL 625 Ca 0.03 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2fw3 s VAL 625 Cb -0.17 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2fw3 s VAL 625 CO -0.15 0.56 -0.25 -0.94 0.00 0.00 0.00 175.10 174.32 2fw3 s SER 626 N -0.08 3.08 0.23 3.32 1.04 -0.55 -0.91 113.70 119.83 2fw3 s SER 626 Ca -0.03 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.45 2fw3 s SER 626 Cb -0.14 -0.20 0.04 0.00 0.10 0.00 0.00 66.02 65.82 2fw3 s SER 626 CO 0.04 0.14 0.72 -0.94 0.98 0.00 0.00 173.24 174.18 2fw3 s SER 627 N -2.02 -0.33 0.00 7.02 1.04 -0.79 -1.43 113.70 117.20 2fw3 s SER 627 Ca 0.12 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2fw3 s SER 627 Cb -0.10 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2fw3 s SER 627 CO 0.05 -1.19 0.00 -1.22 0.98 0.00 0.00 173.24 171.86 2fw3 n TYR 628 N -0.44 0.00 -0.00 5.02 4.01 -1.26 -1.02 117.16 123.47 2fw3 n TYR 628 Ca -0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.45 2fw3 n TYR 628 Cb 0.61 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.50 2fw3 n TYR 628 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fw3 h SER 629 N 0.00 0.35 0.09 7.72 0.02 -1.83 -3.36 113.55 116.54 2fw3 h SER 629 Ca 0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2fw3 h SER 629 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2fw3 h SER 629 CO 0.00 1.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.96 2fw3 n GLY 630 N 1.76 -0.47 3.16 -3.77 0.00 -1.26 -4.75 105.19 99.85 2fw3 n GLY 630 Ca -0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2fw3 n GLY 630 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fw3 s ARG 631 N -2.26 0.81 -0.12 1.61 1.81 -1.26 -5.01 118.95 114.53 2fw3 s ARG 631 Ca 0.13 -1.33 0.03 0.00 -1.72 0.00 0.00 55.73 52.85 2fw3 s ARG 631 Cb 0.07 -0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 2fw3 s ARG 631 CO 0.14 -0.04 -0.23 1.21 -0.68 0.00 0.00 175.30 175.71 2fw3 s ASN 632 N -3.03 3.15 -0.09 0.23 3.84 -1.26 -4.59 114.94 113.19 2fw3 s ASN 632 Ca 0.12 -0.57 -0.02 0.00 0.21 0.00 0.00 52.86 52.60 2fw3 s ASN 632 Cb 0.06 -1.44 -0.01 0.00 -0.55 0.00 0.00 41.25 39.31 2fw3 s ASN 632 CO -0.05 0.13 -0.04 0.00 -2.79 0.00 0.00 177.10 174.35 2fw3 h ALA 633 N 6.97 0.00 -1.00 1.71 0.00 -1.92 -3.07 119.26 121.95 2fw3 h ALA 633 Ca -0.25 -0.13 0.34 0.00 0.00 0.00 0.00 54.91 54.87 2fw3 h ALA 633 Cb 1.22 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 2fw3 h ALA 633 CO 0.51 0.11 0.27 -0.09 0.00 0.00 0.00 179.25 180.05 2fw3 h ARG 634 N -0.79 0.00 -0.12 0.00 2.43 -1.93 0.30 114.38 114.28 2fw3 h ARG 634 Ca 0.00 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2fw3 h ARG 634 Cb 0.11 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2fw3 h ARG 634 CO 0.00 0.00 -0.65 1.49 -1.51 0.00 0.00 179.97 179.31 2fw3 h GLU 635 N 0.00 0.65 0.00 0.20 4.22 -2.01 -1.96 114.58 115.69 2fw3 h GLU 635 Ca 0.72 -0.54 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 2fw3 h GLU 635 Cb 1.72 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 2fw3 h GLU 635 CO -0.86 1.16 -0.02 0.35 -2.18 0.00 0.00 179.01 177.45 2fw3 h PHE 636 N 0.31 0.00 0.00 0.92 3.57 -0.46 -1.58 116.94 119.70 2fw3 h PHE 636 Ca -0.05 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.23 2fw3 h PHE 636 Cb 1.29 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 2fw3 h PHE 636 CO 0.10 0.02 -1.16 -0.07 -2.23 0.00 0.00 178.31 174.97 2fw3 h LEU 637 N 0.00 0.00 -1.54 0.59 3.38 -0.34 -2.93 115.31 114.47 2fw3 h LEU 637 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2fw3 h LEU 637 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2fw3 h LEU 637 CO 0.00 0.99 -0.22 0.45 0.09 0.00 0.00 178.44 179.75 2fw3 h HIS 638 N 0.00 0.00 0.06 1.13 3.86 -0.52 -2.29 115.15 117.40 2fw3 h HIS 638 Ca -0.08 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.88 2fw3 h HIS 638 Cb 1.82 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.30 2fw3 h HIS 638 CO 0.00 0.22 -1.09 0.00 0.86 0.00 0.00 177.93 177.92 2fw3 h VAL 640 N 0.17 1.28 0.44 0.00 2.07 -1.29 0.11 116.25 119.03 2fw3 h VAL 640 Ca -0.11 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 2fw3 h VAL 640 Cb 1.76 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2fw3 h VAL 640 CO 0.19 0.44 -0.41 -0.61 0.02 0.00 0.00 177.57 177.20 2fw3 h GLN 641 N 0.42 -0.81 -0.32 1.57 5.75 -1.48 -1.91 115.11 118.33 2fw3 h GLN 641 Ca 0.05 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2fw3 h GLN 641 Cb 0.76 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 2fw3 h GLN 641 CO 0.06 -0.54 0.17 -0.22 -2.65 0.00 0.00 178.83 175.66 2fw3 h LYS 642 N -0.84 0.35 -0.87 1.69 1.63 -1.37 -0.67 116.57 116.48 2fw3 h LYS 642 Ca -0.06 -0.02 0.18 0.00 -0.85 0.00 0.00 60.65 59.90 2fw3 h LYS 642 Cb 0.72 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.20 2fw3 h LYS 642 CO -0.03 0.23 0.57 0.00 -3.45 0.00 0.00 179.45 176.77 2fw3 h LEU 644 N 0.50 0.49 -0.08 0.00 3.38 -0.42 -2.51 115.31 116.67 2fw3 h LEU 644 Ca 0.45 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fw3 h LEU 644 Cb 0.98 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2fw3 h LEU 644 CO -0.18 1.22 0.05 -0.33 0.09 0.00 0.00 178.44 179.28 2fw3 h GLU 645 N 0.20 0.12 -0.23 1.13 4.39 -0.15 -2.01 114.58 118.03 2fw3 h GLU 645 Ca -0.08 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 2fw3 h GLU 645 Cb 1.62 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 2fw3 h GLU 645 CO 0.17 0.14 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.67 2fw3 h ASP 646 N 0.06 0.32 0.19 1.42 3.32 -1.38 -2.12 116.42 118.24 2fw3 h ASP 646 Ca 0.03 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2fw3 h ASP 646 Cb 0.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2fw3 h ASP 646 CO -0.01 0.42 -0.09 0.40 -1.72 0.00 0.00 179.24 178.24 2fw3 h ILE 647 N 0.34 0.85 -0.59 0.35 2.04 -1.01 -1.82 117.51 117.66 2fw3 h ILE 647 Ca 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2fw3 h ILE 647 Cb 0.30 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2fw3 h ILE 647 CO 0.01 0.04 0.21 -0.26 0.00 0.00 0.00 178.15 178.16 2fw3 h PHE 648 N -0.35 0.92 -0.80 1.37 -1.00 -1.34 -2.02 116.94 113.71 2fw3 h PHE 648 Ca -0.03 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.68 2fw3 h PHE 648 Cb 0.27 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 2fw3 h PHE 648 CO -0.04 0.75 0.53 -0.44 -1.61 0.00 0.00 178.31 177.50 2fw3 h ASP 649 N 0.82 0.92 0.06 2.17 3.32 -1.37 0.49 116.42 122.84 2fw3 h ASP 649 Ca 0.19 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2fw3 h ASP 649 Cb 0.24 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2fw3 h ASP 649 CO -0.01 0.67 -0.26 0.00 -1.72 0.00 0.00 179.24 177.92 2fw3 h ALA 650 N 1.49 1.23 0.00 3.45 0.00 -1.10 -1.44 119.26 122.89 2fw3 h ALA 650 Ca 0.29 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2fw3 h ALA 650 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2fw3 h ALA 650 CO -0.06 0.51 -0.62 -0.07 0.00 0.00 0.00 179.25 179.00 2fw3 h LEU 651 N 0.29 0.00 -0.83 0.00 3.38 -0.36 -3.21 115.31 114.59 2fw3 h LEU 651 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fw3 h LEU 651 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2fw3 h LEU 651 CO 0.04 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 2fw3 n GLU 652 N -3.05 1.55 -1.16 1.13 1.02 0.16 -4.94 120.64 115.34 2fw3 n GLU 652 Ca 0.00 -0.82 -0.06 0.00 -0.02 0.00 0.00 57.16 56.26 2fw3 n GLU 652 Cb 0.68 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 2fw3 n GLU 652 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fw3 n GLY 653 N 1.07 0.79 0.00 0.62 0.00 -1.09 -5.04 105.19 101.54 2fw3 n GLY 653 Ca 0.16 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.76 2fw3 n GLY 653 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60