#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxb n THR 2 N 0.00 0.00 -2.66 5.18 5.66 -1.26 -4.50 114.28 116.70 3fxb n THR 2 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 3fxb n THR 2 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 3fxb n THR 2 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3fxb n TRP 3 N 0.00 -3.29 -3.47 1.09 7.02 -1.26 -4.31 117.44 113.22 3fxb n TRP 3 Ca 0.00 1.38 -0.35 0.00 -1.02 0.00 0.00 57.50 57.51 3fxb n TRP 3 Cb 0.00 -3.80 -0.06 0.00 -2.42 0.00 0.00 31.31 25.03 3fxb n TRP 3 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fxb s ARG 4 N -2.10 3.87 -0.07 -0.99 0.52 -1.26 -1.98 118.95 116.94 3fxb s ARG 4 Ca 0.15 0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 55.66 3fxb s ARG 4 Cb -0.04 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.50 3fxb s ARG 4 CO 0.69 0.52 0.06 -0.47 0.02 0.00 0.00 175.30 176.12 3fxb s TYR 5 N -1.43 0.18 0.01 -0.53 6.04 -0.15 -0.59 117.35 120.88 3fxb s TYR 5 Ca 0.35 0.09 0.07 0.00 0.04 0.00 0.00 57.07 57.63 3fxb s TYR 5 Cb -0.14 -0.57 -0.02 0.00 -1.04 0.00 0.00 41.96 40.19 3fxb s TYR 5 CO 0.18 -0.27 -0.23 0.00 -1.54 0.00 0.00 175.55 173.70 3fxb s ALA 6 N 2.13 1.89 0.29 3.97 0.00 -0.49 -0.38 121.76 129.18 3fxb s ALA 6 Ca 0.04 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3fxb s ALA 6 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3fxb s ALA 6 CO -0.04 0.45 0.17 -0.59 0.00 0.00 0.00 175.76 175.75 3fxb s PHE 7 N -0.63 1.56 -2.27 0.00 -0.71 -1.01 -1.22 117.98 113.70 3fxb s PHE 7 Ca 0.09 -1.42 0.26 0.00 -1.04 0.00 0.00 56.93 54.82 3fxb s PHE 7 Cb -0.09 -0.80 0.57 0.00 -1.21 0.00 0.00 43.02 41.50 3fxb s PHE 7 CO 0.00 -0.59 1.46 0.39 -1.34 0.00 0.00 175.22 175.14 3fxb n GLU 8 N -0.55 1.45 -3.52 1.99 1.02 -1.26 -3.18 120.64 116.59 3fxb n GLU 8 Ca 0.02 -1.02 -0.17 0.00 -0.02 0.00 0.00 57.16 55.98 3fxb n GLU 8 Cb 0.65 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 3fxb n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fxb n GLU 9 N 0.11 0.93 -1.72 3.49 1.02 -1.26 -4.60 120.64 118.61 3fxb n GLU 9 Ca 0.14 -2.15 -0.29 0.00 -0.02 0.00 0.00 57.16 54.84 3fxb n GLU 9 Cb 0.42 0.93 0.14 0.00 -0.02 0.00 0.00 31.44 32.91 3fxb n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fxb s ALA 10 N -2.62 2.10 0.26 0.62 0.00 -1.26 -1.04 121.76 119.83 3fxb s ALA 10 Ca 0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3fxb s ALA 10 Cb 0.00 -2.94 0.34 0.00 0.00 0.00 0.00 23.12 20.52 3fxb s ALA 10 CO 0.05 -2.20 1.78 0.52 0.00 0.00 0.00 175.76 175.91 3fxb h MET 11 N -1.45 0.83 0.00 0.00 2.86 -1.93 -3.04 114.93 112.20 3fxb h MET 11 Ca -0.47 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 56.92 3fxb h MET 11 Cb 1.31 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 3fxb h MET 11 CO 0.56 0.80 -0.21 1.15 1.06 0.00 0.00 176.91 180.27 3fxb h THR 12 N 0.79 0.37 -2.17 2.22 2.02 -1.93 -3.29 112.91 110.92 3fxb h THR 12 Ca 0.16 -1.44 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 3fxb h THR 12 Cb 0.39 2.11 0.07 0.00 -1.74 0.00 0.00 68.15 68.98 3fxb h THR 12 CO 0.01 0.20 0.05 0.47 0.37 0.00 0.00 175.52 176.62 3fxb n ASP 13 N -3.17 -1.24 0.12 4.18 8.00 -1.15 -4.71 116.55 118.58 3fxb n ASP 13 Ca 0.03 -0.76 0.04 0.00 0.71 0.00 0.00 54.79 54.81 3fxb n ASP 13 Cb 0.59 -0.34 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 3fxb n ASP 13 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fxb h VAL 14 N -1.85 0.54 0.00 2.53 2.07 -1.89 -2.81 116.25 114.84 3fxb h VAL 14 Ca -0.14 -1.84 -0.19 0.00 0.82 0.00 0.00 66.70 65.35 3fxb h VAL 14 Cb 0.42 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 3fxb h VAL 14 CO 0.09 0.31 -0.93 1.56 0.02 0.00 0.00 177.57 178.62 3fxb h GLN 15 N 0.00 0.00 -0.67 1.57 4.20 -1.92 -3.19 115.11 115.10 3fxb h GLN 15 Ca -0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3fxb h GLN 15 Cb 1.34 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 3fxb h GLN 15 CO 0.04 0.93 0.22 0.78 -0.67 0.00 0.00 178.83 180.13 3fxb h GLY 16 N 2.96 1.12 1.08 3.46 0.00 -1.58 -1.44 103.07 108.67 3fxb h GLY 16 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3fxb h GLY 16 CO 0.12 0.61 0.54 -2.08 0.00 0.00 0.00 176.54 175.74 3fxb h VAL 17 N 0.98 1.25 0.05 4.60 2.07 -1.52 -0.03 116.25 123.65 3fxb h VAL 17 Ca 0.22 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3fxb h VAL 17 Cb 0.29 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3fxb h VAL 17 CO -0.01 0.26 -0.03 0.22 0.02 0.00 0.00 177.57 178.04 3fxb h TYR 18 N 1.24 -0.07 -0.44 1.57 3.20 -1.51 -2.78 116.97 118.17 3fxb h TYR 18 Ca 0.32 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3fxb h TYR 18 Cb -0.05 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3fxb h TYR 18 CO 0.01 0.18 0.16 0.00 -1.64 0.00 0.00 178.16 176.87 3fxb h ALA 19 N 0.61 0.53 -0.13 1.82 0.00 -0.90 -0.62 119.26 120.58 3fxb h ALA 19 Ca -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3fxb h ALA 19 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fxb h ALA 19 CO 0.01 -0.22 -0.26 1.96 0.00 0.00 0.00 179.25 180.74 3fxb h GLN 20 N 0.34 0.24 -0.05 0.00 4.20 -1.05 0.17 115.11 118.95 3fxb h GLN 20 Ca 0.21 -0.08 -0.23 0.00 0.06 0.00 0.00 58.65 58.61 3fxb h GLN 20 Cb 0.19 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.96 3fxb h GLN 20 CO -0.21 0.49 -0.89 -0.22 -0.67 0.00 0.00 178.83 177.33 3fxb h LYS 21 N 0.21 0.55 -0.72 1.46 1.63 -1.17 -1.55 116.57 116.99 3fxb h LYS 21 Ca 0.03 -0.53 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3fxb h LYS 21 Cb 0.58 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 3fxb h LYS 21 CO 0.04 1.16 0.36 0.35 -3.45 0.00 0.00 179.45 177.91 3fxb h PHE 22 N 0.34 1.01 -0.45 1.91 3.57 -0.69 -1.60 116.94 121.02 3fxb h PHE 22 Ca -0.08 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 3fxb h PHE 22 Cb 1.51 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3fxb h PHE 22 CO 0.07 0.73 0.14 -0.22 -2.23 0.00 0.00 178.31 176.80 3fxb h LYS 23 N 0.99 0.71 -0.24 1.11 3.64 -0.64 -2.18 116.57 119.96 3fxb h LYS 23 Ca 0.25 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3fxb h LYS 23 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3fxb h LYS 23 CO -0.04 0.68 0.03 0.93 -2.27 0.00 0.00 179.45 178.79 3fxb h GLU 24 N 0.59 0.11 -0.34 1.90 5.08 -1.12 -1.96 114.58 118.84 3fxb h GLU 24 Ca 0.15 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 3fxb h GLU 24 Cb 0.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3fxb h GLU 24 CO -0.00 0.07 -0.45 1.49 -1.00 0.00 0.00 179.01 179.11 3fxb h GLU 25 N 0.11 0.89 -0.17 2.33 4.57 -1.24 -0.56 114.58 120.51 3fxb h GLU 25 Ca 0.11 -0.50 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3fxb h GLU 25 Cb 0.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3fxb h GLU 25 CO -0.16 1.15 0.09 0.82 -1.18 0.00 0.00 179.01 179.73 3fxb h ILE 26 N 0.71 1.09 0.00 2.32 1.08 -1.40 -3.16 117.51 118.15 3fxb h ILE 26 Ca 0.04 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 3fxb h ILE 26 Cb 1.05 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 3fxb h ILE 26 CO 0.10 0.08 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.23 3fxb h GLU 27 N 0.18 0.00 0.00 2.37 5.08 -1.18 -2.94 114.58 118.08 3fxb h GLU 27 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3fxb h GLU 27 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3fxb h GLU 27 CO -0.01 0.09 -0.29 0.00 -1.00 0.00 0.00 179.01 177.81 3fxb n ALA 28 N -2.13 2.59 -0.73 3.43 0.00 -0.23 -4.13 120.51 119.31 3fxb n ALA 28 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.37 3fxb n ALA 28 Cb 0.46 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.63 3fxb n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fxb n ASN 29 N -2.18 1.70 -2.62 0.00 3.02 -1.16 -5.08 115.26 108.94 3fxb n ASN 29 Ca 0.05 -2.31 -0.05 0.00 -0.03 0.00 0.00 54.58 52.24 3fxb n ASN 29 Cb 0.43 -0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3fxb n ASN 29 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fxb n SER 30 N -0.75 -1.69 -0.16 6.41 3.41 -1.12 -5.01 113.62 114.71 3fxb n SER 30 Ca 0.06 -2.07 0.12 0.00 -0.26 0.00 0.00 58.87 56.72 3fxb n SER 30 Cb 0.47 2.79 0.22 0.00 -0.26 0.00 0.00 64.21 67.43 3fxb n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxb n ASP 31 N -1.33 0.97 -4.77 4.04 10.43 -1.26 -4.78 116.55 119.86 3fxb n ASP 31 Ca -0.05 -0.76 -0.33 0.00 2.57 0.00 0.00 54.79 56.22 3fxb n ASP 31 Cb 0.48 0.34 0.06 0.00 1.84 0.00 0.00 41.12 43.84 3fxb n ASP 31 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3fxb s HIS 32 N -2.74 2.57 -0.03 1.24 3.76 -1.26 -4.44 115.29 114.39 3fxb s HIS 32 Ca 0.17 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 3fxb s HIS 32 Cb 0.18 -3.15 0.02 0.00 1.11 0.00 0.00 32.58 30.74 3fxb s HIS 32 CO 0.64 -1.77 -0.01 -2.00 -0.85 0.00 0.00 174.74 170.75 3fxb s GLU 33 N -4.30 0.31 -0.11 1.40 2.12 -1.26 -4.38 118.70 112.49 3fxb s GLU 33 Ca 0.66 0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.90 3fxb s GLU 33 Cb -0.20 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.69 3fxb s GLU 33 CO 0.46 -0.10 0.29 0.42 -0.54 0.00 0.00 175.26 175.78 3fxb s ILE 34 N 0.83 5.28 -0.22 -3.70 1.09 -1.26 -4.32 121.20 118.89 3fxb s ILE 34 Ca -0.08 0.55 -0.05 0.00 -1.10 0.00 0.00 60.65 59.96 3fxb s ILE 34 Cb -0.12 -3.60 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 3fxb s ILE 34 CO -0.01 0.50 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.73 3fxb s GLN 35 N -0.33 3.45 0.16 2.79 2.00 -0.84 -5.04 119.66 121.85 3fxb s GLN 35 Ca 0.18 -0.59 -0.12 0.00 -2.00 0.00 0.00 55.36 52.84 3fxb s GLN 35 Cb -0.14 -3.08 -0.07 0.00 0.80 0.00 0.00 33.01 30.53 3fxb s GLN 35 CO 0.06 -0.18 0.51 -0.51 -0.50 0.00 0.00 175.29 174.68 3fxb s LEU 36 N 1.47 4.28 -0.37 3.68 1.02 -1.26 -0.98 118.68 126.52 3fxb s LEU 36 Ca 0.05 0.95 0.01 0.00 0.02 0.00 0.00 54.13 55.17 3fxb s LEU 36 Cb -0.14 -3.34 0.15 0.00 0.02 0.00 0.00 46.19 42.87 3fxb s LEU 36 CO -0.01 0.06 0.27 -0.36 0.02 0.00 0.00 176.35 176.33 3fxb s PHE 37 N -1.57 0.56 1.12 0.29 0.08 0.49 -4.91 117.98 114.04 3fxb s PHE 37 Ca 0.40 -1.60 -0.15 0.00 0.12 0.00 0.00 56.93 55.69 3fxb s PHE 37 Cb -0.13 -0.79 0.25 0.00 -0.57 0.00 0.00 43.02 41.77 3fxb s PHE 37 CO 0.20 -0.86 1.08 -2.14 -0.10 0.00 0.00 175.22 173.39 3fxb s PRO 38 N 0.93 -0.54 0.37 0.24 0.02 -1.26 -2.39 135.00 132.36 3fxb s PRO 38 Ca 0.21 0.32 -0.28 0.00 0.02 0.00 0.00 61.00 61.27 3fxb s PRO 38 Cb -0.16 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.61 3fxb s PRO 38 CO -0.04 -3.34 1.47 -0.47 -0.33 0.00 0.00 177.00 174.29 3fxb s TYR 39 N -2.88 2.64 0.00 6.54 5.04 -0.21 -2.95 117.35 125.54 3fxb s TYR 39 Ca 0.68 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 3fxb s TYR 39 Cb -0.16 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.16 3fxb s TYR 39 CO 0.58 -2.89 0.00 0.41 -1.34 0.00 0.00 175.55 172.31 3fxb n GLY 40 N 0.53 2.00 3.63 8.97 0.00 -1.26 -4.78 105.19 114.28 3fxb n GLY 40 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3fxb n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fxb s THR 41 N -2.03 3.72 0.00 2.61 -4.23 -1.15 -4.73 115.64 109.83 3fxb s THR 41 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3fxb s THR 41 Cb 0.00 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.13 3fxb s THR 41 CO 0.00 0.22 0.00 0.18 -0.54 0.00 0.00 174.62 174.48 3fxb n LEU 42 N 0.96 0.00 0.00 4.79 4.77 -1.26 -4.84 117.00 121.42 3fxb n LEU 42 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3fxb n LEU 42 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3fxb n LEU 42 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3fxb n GLY 43 N -1.11 -1.34 3.68 -0.72 0.00 -1.26 -4.69 105.19 99.75 3fxb n GLY 43 Ca 0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 3fxb n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fxb s GLU 44 N 0.00 0.27 0.27 1.61 0.41 -1.26 -4.64 118.70 115.36 3fxb s GLU 44 Ca 0.00 0.41 -0.03 0.00 -0.41 0.00 0.00 54.97 54.94 3fxb s GLU 44 Cb 0.00 -1.73 0.38 0.00 -1.78 0.00 0.00 34.13 31.00 3fxb s GLU 44 CO 0.00 -2.81 1.90 1.03 -0.49 0.00 0.00 175.26 174.89 3fxb h SER 45 N -1.95 1.06 -0.36 -0.19 0.87 -1.95 -1.29 113.55 109.74 3fxb h SER 45 Ca -0.54 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 59.99 3fxb h SER 45 Cb 1.33 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 3fxb h SER 45 CO 0.56 0.71 0.15 0.00 -0.53 0.00 0.00 176.83 177.73 3fxb h ALA 46 N 1.44 1.49 -0.06 6.23 0.00 -1.98 -2.66 119.26 123.71 3fxb h ALA 46 Ca 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3fxb h ALA 46 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fxb h ALA 46 CO -0.14 0.39 -0.03 -0.44 0.00 0.00 0.00 179.25 179.02 3fxb h ASP 47 N 0.59 0.14 0.15 0.00 5.19 -1.59 -2.95 116.42 117.96 3fxb h ASP 47 Ca 0.14 -0.43 -0.11 0.00 -0.62 0.00 0.00 57.03 56.02 3fxb h ASP 47 Cb 0.14 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3fxb h ASP 47 CO -0.01 0.54 -0.39 0.16 -3.12 0.00 0.00 179.24 176.42 3fxb h ILE 48 N -0.26 1.30 -0.57 0.35 3.07 -1.42 -1.46 117.51 118.52 3fxb h ILE 48 Ca 0.01 -1.49 -0.02 0.00 1.55 0.00 0.00 64.86 64.92 3fxb h ILE 48 Cb 0.49 1.61 -0.03 0.00 -0.27 0.00 0.00 36.82 38.62 3fxb h ILE 48 CO 0.01 0.45 0.27 -0.03 -1.05 0.00 0.00 178.15 177.80 3fxb h MET 49 N 0.27 0.82 -0.93 0.16 4.05 -1.54 0.10 114.93 117.87 3fxb h MET 49 Ca 0.03 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3fxb h MET 49 Cb 0.81 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 3fxb h MET 49 CO 0.06 0.67 0.58 0.93 0.23 0.00 0.00 176.91 179.38 3fxb h GLU 50 N 0.77 1.25 -0.03 0.39 5.08 -1.31 -1.43 114.58 119.31 3fxb h GLU 50 Ca 0.20 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3fxb h GLU 50 Cb 0.12 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3fxb h GLU 50 CO -0.02 0.86 -0.40 1.96 -1.00 0.00 0.00 179.01 180.41 3fxb h GLN 51 N 1.28 0.07 -0.03 2.33 4.20 -0.66 0.26 115.11 122.56 3fxb h GLN 51 Ca 0.34 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.78 3fxb h GLN 51 Cb -0.08 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.71 3fxb h GLN 51 CO -0.07 0.46 -0.94 1.15 -0.67 0.00 0.00 178.83 178.76 3fxb h THR 52 N 0.06 1.33 -0.01 -0.54 2.02 -0.49 -0.89 112.91 114.39 3fxb h THR 52 Ca 0.00 -2.26 -0.16 0.00 0.77 0.00 0.00 66.41 64.76 3fxb h THR 52 Cb 0.73 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 3fxb h THR 52 CO 0.05 0.69 -0.76 1.56 0.37 0.00 0.00 175.52 177.44 3fxb h GLN 53 N 0.35 0.08 0.00 6.66 4.20 -1.00 -2.93 115.11 122.47 3fxb h GLN 53 Ca -0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 3fxb h GLN 53 Cb 1.58 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.38 3fxb h GLN 53 CO 0.18 0.79 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.60 3fxb h ASP 54 N 0.05 0.00 0.00 1.46 5.19 -1.01 -3.47 116.42 118.64 3fxb h ASP 54 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3fxb h ASP 54 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3fxb h ASP 54 CO 0.10 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 176.92 3fxb n GLY 55 N 0.40 0.99 0.14 2.75 0.00 -1.06 -4.98 105.19 103.43 3fxb n GLY 55 Ca 0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3fxb n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fxb h ILE 56 N 0.00 1.41 -2.88 -0.61 2.04 -1.43 -3.45 117.51 112.58 3fxb h ILE 56 Ca 0.00 -1.72 -0.61 0.00 1.00 0.00 0.00 64.86 63.53 3fxb h ILE 56 Cb 0.00 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3fxb h ILE 56 CO 0.00 0.50 -0.52 -0.76 0.00 0.00 0.00 178.15 177.37 3fxb s LEU 57 N -8.70 4.23 -0.19 1.44 1.43 -0.86 -4.82 118.68 111.22 3fxb s LEU 57 Ca -0.14 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3fxb s LEU 57 Cb 0.04 -2.84 -0.14 0.00 0.03 0.00 0.00 46.19 43.28 3fxb s LEU 57 CO 0.78 0.14 -0.12 0.00 0.23 0.00 0.00 176.35 177.39 3fxb n GLN 58 N 0.14 0.72 -4.79 1.70 3.00 -0.70 -4.49 117.38 112.95 3fxb n GLN 58 Ca -0.06 0.09 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 3fxb n GLN 58 Cb 0.52 -1.39 -0.16 0.00 0.00 0.00 0.00 30.24 29.21 3fxb n GLN 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3fxb s PHE 59 N -2.39 1.61 -0.00 1.08 0.08 0.24 -1.32 117.98 117.28 3fxb s PHE 59 Ca -0.22 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.39 3fxb s PHE 59 Cb 0.06 -1.08 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 3fxb s PHE 59 CO 0.49 -0.13 0.03 0.54 -0.10 0.00 0.00 175.22 176.05 3fxb s VAL 60 N -0.05 0.05 -0.29 -0.44 0.11 0.00 -1.40 120.40 118.39 3fxb s VAL 60 Ca -0.01 -0.42 -0.08 0.00 -2.93 0.00 0.00 61.98 58.54 3fxb s VAL 60 Cb -0.10 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 3fxb s VAL 60 CO 0.01 -0.23 0.10 -0.62 -3.33 0.00 0.00 175.10 171.04 3fxb s ASP 61 N -0.69 5.29 -0.07 3.54 3.68 -0.36 -0.91 116.67 127.15 3fxb s ASP 61 Ca -0.08 -0.48 -0.00 0.00 2.13 0.00 0.00 52.55 54.12 3fxb s ASP 61 Cb -0.05 -1.94 0.03 0.00 -1.45 0.00 0.00 42.92 39.51 3fxb s ASP 61 CO -0.00 -0.14 -0.03 -1.58 0.13 0.00 0.00 175.17 173.54 3fxb s GLN 62 N 1.58 0.90 0.33 4.34 0.74 -0.52 -4.25 119.66 122.77 3fxb s GLN 62 Ca 0.05 -0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.13 3fxb s GLN 62 Cb -0.16 -1.08 -0.10 0.00 1.10 0.00 0.00 33.01 32.77 3fxb s GLN 62 CO 0.04 -0.22 1.20 -1.12 -0.55 0.00 0.00 175.29 174.64 3fxb s SER 63 N 1.59 6.89 0.65 6.67 0.01 -1.26 -3.15 113.70 125.10 3fxb s SER 63 Ca -0.00 2.46 0.24 0.00 1.31 0.00 0.00 55.95 59.96 3fxb s SER 63 Cb -0.13 -2.63 1.30 0.00 0.21 0.00 0.00 66.02 64.77 3fxb s SER 63 CO -0.04 -0.43 1.73 -0.65 0.41 0.00 0.00 173.24 174.26 3fxb h PRO 64 N 3.36 0.00 0.00 12.44 0.11 -1.91 0.15 132.00 146.14 3fxb h PRO 64 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fxb h PRO 64 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fxb h PRO 64 CO 0.65 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 179.21 3fxb h GLY 65 N 0.00 0.00 0.00 -0.55 0.00 -1.88 -2.45 103.07 98.19 3fxb h GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3fxb h GLY 65 CO 0.00 0.00 -1.67 0.69 0.00 0.00 0.00 176.54 175.56 3fxb n PHE 66 N -3.43 0.00 1.03 5.60 3.72 0.03 -2.86 117.46 121.55 3fxb n PHE 66 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 3fxb n PHE 66 Cb 0.10 -0.42 0.55 0.00 -0.94 0.00 0.00 39.48 38.78 3fxb n PHE 66 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3fxb n THR 67 N -2.16 0.00 0.22 4.37 -1.04 -1.10 -3.92 114.28 110.65 3fxb n THR 67 Ca -0.10 -0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.05 3fxb n THR 67 Cb 0.58 -0.34 0.79 0.00 -1.82 0.00 0.00 70.33 69.54 3fxb n THR 67 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3fxb h GLY 68 N 5.00 0.00 1.30 3.41 0.00 -1.60 0.49 103.07 111.67 3fxb h GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3fxb h GLY 68 CO 0.00 0.00 -0.97 1.76 0.00 0.00 0.00 176.54 177.33 3fxb h SER 69 N 0.00 0.82 0.02 0.19 0.02 -1.78 -3.30 113.55 109.52 3fxb h SER 69 Ca 0.06 -0.63 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3fxb h SER 69 Cb 0.28 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3fxb h SER 69 CO -0.00 1.43 -0.01 0.25 -1.14 0.00 0.00 176.83 177.36 3fxb h LEU 70 N 0.38 -0.03 -8.45 5.07 5.85 -1.47 -3.41 115.31 113.25 3fxb h LEU 70 Ca -0.10 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 57.95 3fxb h LEU 70 Cb 1.61 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.47 3fxb h LEU 70 CO 0.19 0.04 0.08 -0.63 -0.34 0.00 0.00 178.44 177.77 3fxb s ILE 71 N -1.46 4.85 0.33 4.05 1.09 0.04 -4.96 121.20 125.13 3fxb s ILE 71 Ca -0.00 -0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.26 3fxb s ILE 71 Cb 0.00 -4.27 0.22 0.00 -1.06 0.00 0.00 42.46 37.35 3fxb s ILE 71 CO 0.01 -0.75 1.95 -0.65 -0.10 0.00 0.00 174.94 175.40 3fxb h PRO 72 N 8.97 0.83 -0.94 2.79 0.11 -1.80 -2.44 132.00 139.51 3fxb h PRO 72 Ca -0.27 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3fxb h PRO 72 Cb 1.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3fxb h PRO 72 CO 0.94 0.62 0.03 -0.85 -0.21 0.00 0.00 178.00 178.53 3fxb n GLU 73 N -4.38 1.64 -0.02 1.05 0.00 -1.26 -2.52 120.64 115.15 3fxb n GLU 73 Ca 0.05 -0.61 0.13 0.00 0.00 0.00 0.00 57.16 56.73 3fxb n GLU 73 Cb 0.11 -1.55 0.29 0.00 0.00 0.00 0.00 31.44 30.29 3fxb n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fxb n ALA 74 N 0.14 2.51 0.77 -1.84 0.00 -0.92 -4.16 120.51 117.00 3fxb n ALA 74 Ca 0.07 -0.61 0.11 0.00 0.00 0.00 0.00 53.44 53.01 3fxb n ALA 74 Cb 0.51 -0.97 0.48 0.00 0.00 0.00 0.00 19.45 19.46 3fxb n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fxb n GLN 75 N 0.84 0.00 -0.09 0.00 6.02 -1.05 -3.69 117.38 119.41 3fxb n GLN 75 Ca 0.16 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.42 3fxb n GLN 75 Cb 0.49 -1.51 0.53 0.00 1.02 0.00 0.00 30.24 30.77 3fxb n GLN 75 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fxb h VAL 76 N 0.00 0.84 0.00 5.09 2.07 -1.84 -2.13 116.25 120.27 3fxb h VAL 76 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3fxb h VAL 76 Cb 0.39 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3fxb h VAL 76 CO 0.00 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.14 3fxb n PHE 77 N -4.46 0.00 -1.30 1.57 3.72 -1.24 -2.46 117.46 113.28 3fxb n PHE 77 Ca 0.11 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 3fxb n PHE 77 Cb 0.46 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 3fxb n PHE 77 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fxb n PHE 78 N -0.76 0.00 -2.74 1.38 3.72 -0.80 -4.89 117.46 113.37 3fxb n PHE 78 Ca 0.09 -0.82 -0.43 0.00 -0.05 0.00 0.00 57.45 56.24 3fxb n PHE 78 Cb 0.04 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 3fxb n PHE 78 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3fxb s VAL 79 N -2.30 4.36 0.32 -4.37 1.01 -1.03 -4.72 120.40 113.68 3fxb s VAL 79 Ca 0.26 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 3fxb s VAL 79 Cb 0.23 -4.51 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 3fxb s VAL 79 CO 0.02 -0.93 1.33 -2.65 0.00 0.00 0.00 175.10 172.87 3fxb n PRO 80 N 7.46 2.16 -0.98 2.72 -0.02 -1.26 -2.39 135.00 142.69 3fxb n PRO 80 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3fxb n PRO 80 Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3fxb n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fxb n TYR 81 N 0.69 0.00 -0.02 6.00 4.01 0.66 -4.82 117.16 123.67 3fxb n TYR 81 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 3fxb n TYR 81 Cb 0.35 -1.25 -0.10 0.00 -0.31 0.00 0.00 39.34 38.04 3fxb n TYR 81 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3fxb h LEU 82 N 0.00 0.06 -9.52 7.72 5.85 -1.73 -3.43 115.31 114.26 3fxb h LEU 82 Ca 0.00 -0.54 -0.53 0.00 0.84 0.00 0.00 57.88 57.65 3fxb h LEU 82 Cb 0.59 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3fxb h LEU 82 CO 0.00 0.59 0.39 -0.76 -0.34 0.00 0.00 178.44 178.32 3fxb s LEU 83 N -9.09 4.45 0.91 2.25 1.02 -1.26 -5.04 118.68 111.91 3fxb s LEU 83 Ca -0.16 1.80 -0.11 0.00 0.02 0.00 0.00 54.13 55.68 3fxb s LEU 83 Cb 0.02 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.78 3fxb s LEU 83 CO 0.69 -0.17 1.10 -2.16 0.02 0.00 0.00 176.35 175.83 3fxb s PRO 84 N 0.34 1.08 -0.05 1.29 0.04 -1.26 -4.80 135.00 131.65 3fxb s PRO 84 Ca 0.50 1.17 0.21 0.00 0.04 0.00 0.00 61.00 62.91 3fxb s PRO 84 Cb -0.24 -1.76 -0.27 0.00 0.04 0.00 0.00 34.50 32.27 3fxb s PRO 84 CO 0.30 -2.46 0.45 -2.37 0.04 0.00 0.00 177.00 172.96 3fxb n THR 85 N -4.08 0.49 -1.56 1.26 5.66 -1.26 -4.85 114.28 109.94 3fxb n THR 85 Ca 0.09 -0.61 -0.39 0.00 -3.05 0.00 0.00 64.05 60.09 3fxb n THR 85 Cb 0.53 -0.20 -0.04 0.00 -1.55 0.00 0.00 70.33 69.08 3fxb n THR 85 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3fxb n ASP 86 N -2.47 2.55 0.23 1.09 -0.08 -1.26 -4.85 116.55 111.76 3fxb n ASP 86 Ca -0.11 -0.21 0.07 0.00 -1.51 0.00 0.00 54.79 53.03 3fxb n ASP 86 Cb 0.74 -1.54 0.54 0.00 2.34 0.00 0.00 41.12 43.20 3fxb n ASP 86 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fxb h GLN 87 N 17.55 0.00 -0.22 -0.67 5.75 -1.99 0.04 115.11 135.57 3fxb h GLN 87 Ca -0.29 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.13 3fxb h GLN 87 Cb 1.26 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 3fxb h GLN 87 CO 1.10 0.22 -0.18 -0.44 -2.65 0.00 0.00 178.83 176.87 3fxb h ASP 88 N 0.00 0.54 0.30 -0.69 5.19 -2.00 -2.60 116.42 117.17 3fxb h ASP 88 Ca -0.00 -0.46 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 3fxb h ASP 88 Cb 0.46 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3fxb h ASP 88 CO 0.03 0.88 -0.48 -0.74 -3.12 0.00 0.00 179.24 175.81 3fxb h HIS 89 N 0.20 0.26 -0.19 4.55 -0.00 -1.81 -3.07 115.15 115.08 3fxb h HIS 89 Ca 0.04 -0.08 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 3fxb h HIS 89 Cb 0.72 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3fxb h HIS 89 CO 0.07 0.66 -0.47 1.25 -0.00 0.00 0.00 177.93 179.44 3fxb h LEU 90 N 0.17 0.53 -0.73 0.26 5.85 -1.02 -2.93 115.31 117.44 3fxb h LEU 90 Ca 0.01 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 3fxb h LEU 90 Cb 0.92 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3fxb h LEU 90 CO 0.07 0.92 -0.34 0.00 -0.34 0.00 0.00 178.44 178.75 3fxb h ALA 91 N 1.10 0.90 0.00 1.25 0.00 -1.37 -2.85 119.26 118.29 3fxb h ALA 91 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3fxb h ALA 91 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3fxb h ALA 91 CO 0.09 0.62 -0.46 0.00 0.00 0.00 0.00 179.25 179.50 3fxb h ARG 92 N 0.50 0.00 0.23 0.00 3.08 -1.51 -3.19 114.38 113.49 3fxb h ARG 92 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3fxb h ARG 92 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3fxb h ARG 92 CO 0.07 0.46 -0.11 0.35 -1.07 0.00 0.00 179.97 179.67 3fxb h PHE 93 N 0.00 -0.29 -0.35 3.04 3.57 -1.31 -2.15 116.94 119.44 3fxb h PHE 93 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3fxb h PHE 93 Cb 0.90 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3fxb h PHE 93 CO 0.00 -0.18 0.34 0.74 -2.23 0.00 0.00 178.31 176.97 3fxb h PHE 94 N -0.36 0.00 0.07 0.41 0.04 -1.64 0.16 116.94 115.63 3fxb h PHE 94 Ca -0.03 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 3fxb h PHE 94 Cb 0.24 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.41 3fxb h PHE 94 CO 0.14 0.00 -0.60 -0.22 -0.60 0.00 0.00 178.31 177.03 3fxb h LYS 95 N 0.00 0.28 -0.39 1.51 3.64 -1.59 -3.37 116.57 116.65 3fxb h LYS 95 Ca 0.17 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3fxb h LYS 95 Cb 0.83 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3fxb h LYS 95 CO -0.00 1.14 0.00 0.39 -2.27 0.00 0.00 179.45 178.71 3fxb n GLU 96 N -4.25 3.38 -2.71 1.90 4.71 -0.61 -4.99 120.64 118.06 3fxb n GLU 96 Ca -0.12 -2.77 -0.42 0.00 -0.01 0.00 0.00 57.16 53.83 3fxb n GLU 96 Cb 0.71 -1.83 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 3fxb n GLU 96 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3fxb s SER 97 N -1.43 7.16 0.41 1.62 0.15 0.47 -4.91 113.70 117.17 3fxb s SER 97 Ca 0.42 1.43 0.16 0.00 0.70 0.00 0.00 55.95 58.66 3fxb s SER 97 Cb 0.31 -2.54 0.88 0.00 -1.71 0.00 0.00 66.02 62.97 3fxb s SER 97 CO 0.14 -0.52 1.89 0.50 1.20 0.00 0.00 173.24 176.45 3fxb h LYS 98 N 7.25 0.00 0.01 5.44 3.64 -1.91 -1.70 116.57 129.29 3fxb h LYS 98 Ca -0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3fxb h LYS 98 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3fxb h LYS 98 CO 0.89 0.30 -0.01 0.00 -2.27 0.00 0.00 179.45 178.37 3fxb h ALA 99 N 1.70 -0.02 -0.14 5.00 0.00 -1.91 -2.50 119.26 121.40 3fxb h ALA 99 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3fxb h ALA 99 Cb 0.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fxb h ALA 99 CO 0.04 -0.24 -0.05 0.82 0.00 0.00 0.00 179.25 179.82 3fxb h ILE 100 N -0.55 1.30 -0.10 0.00 1.08 -1.93 -1.71 117.51 115.60 3fxb h ILE 100 Ca -0.00 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3fxb h ILE 100 Cb 0.54 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 3fxb h ILE 100 CO 0.00 0.30 0.00 0.59 -0.69 0.00 0.00 178.15 178.35 3fxb n ASN 101 N -4.69 2.69 0.01 1.72 3.02 -0.64 -3.97 115.26 113.39 3fxb n ASN 101 Ca -0.06 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 3fxb n ASN 101 Cb 0.27 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3fxb n ASN 101 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fxb n ASP 102 N 1.07 0.02 0.09 6.41 9.92 -0.97 -4.80 116.55 128.29 3fxb n ASP 102 Ca 0.16 0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.41 3fxb n ASP 102 Cb 0.53 0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.96 3fxb n ASP 102 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 3fxb h MET 103 N 0.00 0.00 0.00 -1.24 2.86 -1.18 -3.30 114.93 112.06 3fxb h MET 103 Ca 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 3fxb h MET 103 Cb 0.40 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3fxb h MET 103 CO 0.00 0.71 -1.06 0.74 1.06 0.00 0.00 176.91 178.36 3fxb h PHE 104 N 0.00 0.00 -0.46 -0.22 0.04 -1.45 -3.39 116.94 111.46 3fxb h PHE 104 Ca -0.04 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.77 3fxb h PHE 104 Cb 1.61 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.73 3fxb h PHE 104 CO 0.00 0.98 0.24 0.87 -0.60 0.00 0.00 178.31 179.81 3fxb h LYS 105 N 0.00 0.47 0.00 1.51 1.57 -1.74 -1.76 116.57 116.61 3fxb h LYS 105 Ca -0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3fxb h LYS 105 Cb 1.78 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 3fxb h LYS 105 CO 0.12 0.31 -0.21 -1.00 -0.57 0.00 0.00 179.45 178.10 3fxb h PRO 106 N 0.48 0.00 -0.16 3.15 0.13 -1.75 -1.96 132.00 131.89 3fxb h PRO 106 Ca 0.20 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.11 3fxb h PRO 106 Cb 0.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.23 3fxb h PRO 106 CO -0.13 0.21 -0.76 -0.07 -0.23 0.00 0.00 178.00 177.02 3fxb h LEU 107 N 0.00 0.92 -0.77 1.56 3.38 -1.56 -2.41 115.31 116.42 3fxb h LEU 107 Ca -0.00 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 3fxb h LEU 107 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3fxb h LEU 107 CO 0.03 1.39 -0.33 1.88 0.09 0.00 0.00 178.44 181.50 3fxb h TYR 108 N 0.54 0.64 -0.34 1.13 0.05 -1.31 -3.05 116.97 114.62 3fxb h TYR 108 Ca -0.05 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.57 3fxb h TYR 108 Cb 1.38 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 3fxb h TYR 108 CO 0.08 0.82 0.22 0.00 -1.05 0.00 0.00 178.16 178.23 3fxb h ALA 109 N 1.17 1.74 0.00 3.88 0.00 -1.11 -1.36 119.26 123.59 3fxb h ALA 109 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fxb h ALA 109 Cb 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fxb h ALA 109 CO 0.07 0.23 0.00 -0.44 0.00 0.00 0.00 179.25 179.11 3fxb h ASP 110 N 0.46 0.00 -0.32 0.00 3.45 -1.32 -0.28 116.42 118.41 3fxb h ASP 110 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3fxb h ASP 110 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3fxb h ASP 110 CO -0.03 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.64 3fxb n GLN 111 N -2.81 3.03 -2.87 3.56 3.00 -0.54 -4.98 117.38 115.76 3fxb n GLN 111 Ca -0.02 -2.60 -0.09 0.00 -0.01 0.00 0.00 57.00 54.29 3fxb n GLN 111 Cb 0.09 -1.67 0.03 0.00 0.00 0.00 0.00 30.24 28.68 3fxb n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fxb n GLY 112 N -0.04 0.40 2.95 1.08 0.00 -0.12 -5.02 105.19 104.44 3fxb n GLY 112 Ca 0.19 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3fxb n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxb s LEU 113 N -3.25 1.76 -0.49 0.99 1.43 -1.02 -2.06 118.68 116.04 3fxb s LEU 113 Ca 0.21 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3fxb s LEU 113 Cb -0.09 -0.39 0.08 0.00 0.03 0.00 0.00 46.19 45.83 3fxb s LEU 113 CO 0.25 0.03 0.44 -0.70 0.23 0.00 0.00 176.35 176.61 3fxb s GLU 114 N 0.24 2.99 -0.00 1.70 2.56 0.14 -2.63 118.70 123.70 3fxb s GLU 114 Ca -0.03 -1.39 -0.30 0.00 0.00 0.00 0.00 54.97 53.25 3fxb s GLU 114 Cb -0.07 -4.17 -0.05 0.00 2.00 0.00 0.00 34.13 31.84 3fxb s GLU 114 CO -0.00 -1.11 1.34 -1.17 -0.56 0.00 0.00 175.26 173.75 3fxb s LEU 115 N 1.73 4.31 -0.17 2.70 2.96 -1.26 -1.20 118.68 127.75 3fxb s LEU 115 Ca 0.05 2.04 -0.14 0.00 -0.22 0.00 0.00 54.13 55.86 3fxb s LEU 115 Cb -0.25 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.82 3fxb s LEU 115 CO 0.06 -0.66 -0.25 0.18 -1.32 0.00 0.00 176.35 174.35 3fxb n LEU 116 N 5.17 1.88 -3.88 -0.68 4.77 -0.20 -4.98 117.00 119.07 3fxb n LEU 116 Ca 0.12 0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 56.48 3fxb n LEU 116 Cb 0.44 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3fxb n LEU 116 CO 0.57 -0.31 -0.14 0.20 -1.33 0.00 0.00 177.39 176.39 3fxb s ASN 117 N -5.93 0.10 0.02 -1.43 0.01 -1.13 -5.01 114.94 101.57 3fxb s ASN 117 Ca -0.23 -0.48 0.08 0.00 -0.71 0.00 0.00 52.86 51.52 3fxb s ASN 117 Cb 0.04 0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 3fxb s ASN 117 CO 0.34 -0.57 -0.23 -0.04 -1.51 0.00 0.00 177.10 175.09 3fxb s MET 118 N -2.83 1.68 0.03 -0.60 -1.94 -1.26 -1.34 119.30 113.04 3fxb s MET 118 Ca -0.03 -0.94 -0.02 0.00 -1.71 0.00 0.00 55.69 52.98 3fxb s MET 118 Cb 0.00 -1.75 -0.02 0.00 2.01 0.00 0.00 34.83 35.07 3fxb s MET 118 CO -0.05 0.46 0.02 -0.59 -0.01 0.00 0.00 175.02 174.84 3fxb s PHE 119 N -0.70 0.31 0.56 -0.03 -0.71 -0.62 -4.78 117.98 112.01 3fxb s PHE 119 Ca 0.09 -0.67 -0.08 0.00 -1.04 0.00 0.00 56.93 55.23 3fxb s PHE 119 Cb -0.09 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 3fxb s PHE 119 CO 0.01 -0.31 0.92 -1.25 -1.34 0.00 0.00 175.22 173.25 3fxb s PRO 120 N -2.58 3.55 0.00 1.99 0.04 -1.26 -1.93 135.00 134.80 3fxb s PRO 120 Ca -0.05 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3fxb s PRO 120 Cb -0.02 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3fxb s PRO 120 CO -0.05 -0.42 0.03 0.39 0.04 0.00 0.00 177.00 176.99 3fxb n GLU 121 N -2.54 4.19 0.00 4.56 1.02 0.70 -4.91 120.64 123.65 3fxb n GLU 121 Ca 0.04 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3fxb n GLU 121 Cb 0.55 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 3fxb n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fxb n GLY 122 N 0.61 3.59 3.71 0.62 0.00 -1.26 -4.90 105.19 107.56 3fxb n GLY 122 Ca 0.00 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 3fxb n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fxb n GLU 123 N -1.31 2.28 -3.47 1.61 2.13 -1.26 -1.06 120.64 119.55 3fxb n GLU 123 Ca 0.00 0.80 -0.28 0.00 0.66 0.00 0.00 57.16 58.34 3fxb n GLU 123 Cb 0.00 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.22 3fxb n GLU 123 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3fxb s VAL 124 N -0.67 5.09 -0.01 6.31 -7.23 -0.08 -4.01 120.40 119.80 3fxb s VAL 124 Ca 0.59 -0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.65 3fxb s VAL 124 Cb -0.56 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 32.64 3fxb s VAL 124 CO 0.57 -0.28 -0.02 0.00 -0.31 0.00 0.00 175.10 175.06 3fxb s ALA 125 N -2.02 0.25 0.06 1.32 0.00 -0.36 -4.49 121.76 116.53 3fxb s ALA 125 Ca 0.42 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 3fxb s ALA 125 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3fxb s ALA 125 CO 0.30 0.02 1.04 -1.64 0.00 0.00 0.00 175.76 175.48 3fxb s MET 126 N 0.24 4.57 -0.20 0.00 -1.94 0.09 -2.67 119.30 119.39 3fxb s MET 126 Ca -0.02 1.55 -0.01 0.00 -1.71 0.00 0.00 55.69 55.50 3fxb s MET 126 Cb -0.05 -3.39 0.01 0.00 2.01 0.00 0.00 34.83 33.41 3fxb s MET 126 CO -0.01 -0.02 -0.13 0.95 -0.01 0.00 0.00 175.02 175.80 3fxb s THR 127 N 0.63 2.60 0.35 2.05 -4.23 0.65 -0.12 115.64 117.57 3fxb s THR 127 Ca 0.52 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 3fxb s THR 127 Cb -0.25 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3fxb s THR 127 CO 0.30 0.47 0.11 0.42 -0.54 0.00 0.00 174.62 175.37 3fxb s THR 128 N 1.36 0.74 -1.71 3.99 -4.23 -0.40 -1.32 115.64 114.08 3fxb s THR 128 Ca 0.05 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.74 3fxb s THR 128 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3fxb s THR 128 CO -0.09 0.00 0.94 2.29 -0.54 0.00 0.00 174.62 177.22 3fxb n LYS 129 N -0.73 1.54 -4.69 3.99 2.85 -1.10 -0.56 118.16 119.46 3fxb n LYS 129 Ca -0.03 -0.93 -0.30 0.00 -1.05 0.00 0.00 58.31 56.01 3fxb n LYS 129 Cb 0.66 -1.34 -0.14 0.00 -0.65 0.00 0.00 35.03 33.56 3fxb n LYS 129 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3fxb s THR 130 N -2.05 2.21 0.34 0.58 -4.23 -1.26 -4.78 115.64 106.45 3fxb s THR 130 Ca 0.15 -1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 58.84 3fxb s THR 130 Cb 0.15 -1.91 -0.12 0.00 1.34 0.00 0.00 72.50 71.96 3fxb s THR 130 CO 0.44 0.25 1.39 -2.65 -0.54 0.00 0.00 174.62 173.52 3fxb n PRO 131 N 1.42 2.34 -4.01 3.99 -0.02 -1.26 -4.86 135.00 132.59 3fxb n PRO 131 Ca -0.17 0.82 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 3fxb n PRO 131 Cb 0.52 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 3fxb n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fxb s VAL 132 N -0.88 2.39 -0.10 -1.45 1.01 -1.26 -4.82 120.40 115.28 3fxb s VAL 132 Ca 0.57 -1.82 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 3fxb s VAL 132 Cb -0.54 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 3fxb s VAL 132 CO 0.60 -0.24 -0.10 0.41 0.00 0.00 0.00 175.10 175.78 3fxb n THR 133 N 4.42 0.59 -4.42 3.92 -1.04 -1.26 -4.97 114.28 111.51 3fxb n THR 133 Ca -0.08 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 3fxb n THR 133 Cb 0.42 -0.98 -0.06 0.00 -1.82 0.00 0.00 70.33 67.89 3fxb n THR 133 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3fxb n THR 134 N -2.90 0.00 0.17 12.58 -2.24 -1.26 -4.86 114.28 115.77 3fxb n THR 134 Ca -0.19 -2.10 0.02 0.00 -2.27 0.00 0.00 64.05 59.52 3fxb n THR 134 Cb 0.69 0.78 0.30 0.00 -2.10 0.00 0.00 70.33 69.99 3fxb n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fxb n SER 136 N -3.95 0.00 0.08 0.00 3.41 -1.26 -2.41 113.62 109.49 3fxb n SER 136 Ca -0.02 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.18 3fxb n SER 136 Cb 0.48 -0.48 0.46 0.00 -0.26 0.00 0.00 64.21 64.40 3fxb n SER 136 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fxb n ASP 137 N -1.48 0.60 0.01 4.04 8.00 -1.02 -2.97 116.55 123.72 3fxb n ASP 137 Ca 0.06 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.25 3fxb n ASP 137 Cb 0.25 -0.72 0.27 0.00 -0.02 0.00 0.00 41.12 40.90 3fxb n ASP 137 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fxb n LEU 138 N -2.07 0.48 -4.64 0.64 4.77 -1.01 -4.85 117.00 110.31 3fxb n LEU 138 Ca 0.05 0.10 -0.59 0.00 -0.03 0.00 0.00 56.01 55.54 3fxb n LEU 138 Cb 0.38 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3fxb n LEU 138 CO 0.28 0.08 1.39 -0.67 -1.33 0.00 0.00 177.39 177.13 3fxb n ASP 139 N -1.62 1.93 -3.61 -1.43 2.03 -1.16 -1.19 116.55 111.51 3fxb n ASP 139 Ca 0.05 0.98 -0.23 0.00 0.52 0.00 0.00 54.79 56.11 3fxb n ASP 139 Cb 0.36 -1.07 0.07 0.00 -0.72 0.00 0.00 41.12 39.76 3fxb n ASP 139 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fxb n GLU 140 N 5.65 -7.08 -3.81 -0.67 1.02 -1.23 -4.99 120.64 109.53 3fxb n GLU 140 Ca 0.32 0.79 -0.36 0.00 -0.02 0.00 0.00 57.16 57.89 3fxb n GLU 140 Cb 0.08 -5.77 -0.12 0.00 -0.02 0.00 0.00 31.44 25.61 3fxb n GLU 140 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fxb s VAL 141 N -3.35 4.44 -0.59 2.62 1.01 -0.33 -4.93 120.40 119.27 3fxb s VAL 141 Ca 0.41 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 3fxb s VAL 141 Cb -0.19 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3fxb s VAL 141 CO 0.75 0.35 1.63 -0.54 0.00 0.00 0.00 175.10 177.29 3fxb s LYS 142 N 1.40 2.98 -0.31 2.72 1.02 -1.26 -1.97 119.74 124.32 3fxb s LYS 142 Ca 0.05 0.49 -0.08 0.00 0.02 0.00 0.00 55.97 56.46 3fxb s LYS 142 Cb -0.15 -4.26 0.01 0.00 -0.52 0.00 0.00 37.83 32.92 3fxb s LYS 142 CO 0.04 -2.32 0.11 0.12 -0.92 0.00 0.00 175.35 172.37 3fxb s PHE 143 N 7.44 3.18 0.52 3.18 2.19 -0.99 -0.18 117.98 133.31 3fxb s PHE 143 Ca 0.58 -0.98 -0.21 0.00 0.33 0.00 0.00 56.93 56.65 3fxb s PHE 143 Cb -0.12 -2.30 -0.06 0.00 -1.31 0.00 0.00 43.02 39.24 3fxb s PHE 143 CO 0.22 -0.59 1.23 0.50 1.83 0.00 0.00 175.22 178.41 3fxb s ARG 144 N 1.51 3.40 0.02 10.12 3.00 0.13 -0.42 118.95 136.71 3fxb s ARG 144 Ca 0.02 1.90 -0.21 0.00 -1.00 0.00 0.00 55.73 56.45 3fxb s ARG 144 Cb -0.18 -2.24 0.04 0.00 0.00 0.00 0.00 34.95 32.58 3fxb s ARG 144 CO 0.04 -0.88 0.47 0.54 0.00 0.00 0.00 175.30 175.46 3fxb s VAL 145 N -1.50 0.04 0.79 7.11 0.11 -0.13 -4.29 120.40 122.54 3fxb s VAL 145 Ca 0.69 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.31 3fxb s VAL 145 Cb -0.32 -0.89 0.07 0.00 -1.53 0.00 0.00 36.38 33.71 3fxb s VAL 145 CO 0.37 -0.18 1.11 -0.04 -3.33 0.00 0.00 175.10 173.04 3fxb s MET 146 N -1.99 2.00 -1.36 1.54 -1.94 -1.26 -2.05 119.30 114.24 3fxb s MET 146 Ca -0.08 1.32 -0.12 0.00 -1.71 0.00 0.00 55.69 55.11 3fxb s MET 146 Cb -0.02 -1.86 0.11 0.00 2.01 0.00 0.00 34.83 35.08 3fxb s MET 146 CO 0.01 -1.86 2.01 0.25 -0.01 0.00 0.00 175.02 175.43 3fxb n THR 147 N -3.53 3.95 -3.82 2.05 -2.24 -1.14 -4.75 114.28 104.81 3fxb n THR 147 Ca 0.10 -3.81 -0.12 0.00 -2.27 0.00 0.00 64.05 57.95 3fxb n THR 147 Cb 0.52 -2.47 -0.12 0.00 -2.10 0.00 0.00 70.33 66.17 3fxb n THR 147 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fxb s ASN 148 N 1.98 -0.14 0.23 3.42 2.20 -1.21 -4.47 114.94 116.96 3fxb s ASN 148 Ca 0.43 0.23 -0.07 0.00 -0.94 0.00 0.00 52.86 52.51 3fxb s ASN 148 Cb 0.11 0.33 0.36 0.00 -2.00 0.00 0.00 41.25 40.05 3fxb s ASN 148 CO -0.03 -0.14 1.73 -0.65 -2.94 0.00 0.00 177.10 175.07 3fxb h PRO 149 N 5.48 0.40 -0.29 3.55 0.11 -1.90 -2.67 132.00 136.67 3fxb h PRO 149 Ca -0.27 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 3fxb h PRO 149 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fxb h PRO 149 CO 0.40 0.27 -0.45 1.25 -0.21 0.00 0.00 178.00 179.25 3fxb h LEU 150 N 0.41 0.83 -1.17 2.35 5.85 -1.96 -1.23 115.31 120.39 3fxb h LEU 150 Ca 0.36 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3fxb h LEU 150 Cb 0.50 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3fxb h LEU 150 CO -0.36 1.16 0.26 0.25 -0.34 0.00 0.00 178.44 179.41 3fxb h LEU 151 N 0.61 0.77 -0.74 2.25 5.85 -1.77 0.78 115.31 123.06 3fxb h LEU 151 Ca 0.04 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3fxb h LEU 151 Cb 1.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3fxb h LEU 151 CO 0.10 0.67 0.24 0.58 -0.34 0.00 0.00 178.44 179.69 3fxb h VAL 152 N 0.84 1.26 -0.01 1.05 2.07 -1.19 -2.82 116.25 117.46 3fxb h VAL 152 Ca 0.21 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3fxb h VAL 152 Cb 0.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3fxb h VAL 152 CO -0.02 0.36 -0.37 -0.33 0.02 0.00 0.00 177.57 177.22 3fxb h GLU 153 N 1.10 0.02 -0.24 1.57 4.39 -0.13 -2.98 114.58 118.31 3fxb h GLU 153 Ca 0.24 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 3fxb h GLU 153 Cb 0.30 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3fxb h GLU 153 CO -0.01 0.39 0.14 0.77 -1.16 0.00 0.00 179.01 179.14 3fxb h SER 154 N 0.02 0.29 1.72 1.42 0.02 -0.63 -1.57 113.55 114.82 3fxb h SER 154 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3fxb h SER 154 Cb 0.67 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3fxb h SER 154 CO 0.05 0.27 -0.04 1.88 -1.14 0.00 0.00 176.83 177.86 3fxb h TYR 155 N 0.29 0.00 -0.26 3.45 0.05 -1.53 -0.99 116.97 117.97 3fxb h TYR 155 Ca 0.09 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 3fxb h TYR 155 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3fxb h TYR 155 CO -0.04 0.00 -0.17 0.87 -1.05 0.00 0.00 178.16 177.77 3fxb h LYS 156 N 0.00 0.58 0.00 4.88 1.57 -1.39 0.11 116.57 122.32 3fxb h LYS 156 Ca 0.00 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3fxb h LYS 156 Cb 0.88 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 3fxb h LYS 156 CO 0.00 0.85 -0.11 0.00 -0.57 0.00 0.00 179.45 179.62 3fxb h ALA 157 N 0.71 1.07 0.00 3.86 0.00 -0.98 -2.53 119.26 121.39 3fxb h ALA 157 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3fxb h ALA 157 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3fxb h ALA 157 CO 0.05 0.14 -0.34 0.74 0.00 0.00 0.00 179.25 179.83 3fxb h PHE 158 N 0.00 0.00 0.00 0.00 0.04 -1.14 -3.45 116.94 112.39 3fxb h PHE 158 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fxb h PHE 158 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3fxb h PHE 158 CO 0.00 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 3fxb n GLY 159 N 1.17 0.88 3.94 -1.45 0.00 -0.95 -4.48 105.19 104.31 3fxb n GLY 159 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3fxb n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxb s ALA 160 N -2.00 3.00 -0.54 4.61 0.00 0.36 -3.44 121.76 123.75 3fxb s ALA 160 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 3fxb s ALA 160 Cb 0.00 -2.54 0.14 0.00 0.00 0.00 0.00 23.12 20.73 3fxb s ALA 160 CO 0.00 -1.67 0.36 0.99 0.00 0.00 0.00 175.76 175.44 3fxb s THR 161 N -3.42 3.74 0.36 0.00 2.01 -0.83 -4.12 115.64 113.37 3fxb s THR 161 Ca 0.65 -2.45 -0.27 0.00 0.31 0.00 0.00 61.69 59.93 3fxb s THR 161 Cb -0.08 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 3fxb s THR 161 CO 0.47 -0.81 1.20 -2.84 -0.69 0.00 0.00 174.62 171.95 3fxb s PRO 162 N 0.58 4.26 -0.19 4.92 0.02 -1.26 -2.36 135.00 140.96 3fxb s PRO 162 Ca 0.12 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 3fxb s PRO 162 Cb -0.21 -2.90 0.05 0.00 0.02 0.00 0.00 34.50 31.46 3fxb s PRO 162 CO -0.04 -0.18 -0.02 0.99 -0.33 0.00 0.00 177.00 177.43 3fxb s THR 163 N -1.28 1.02 -0.22 0.99 2.01 0.45 -4.87 115.64 113.74 3fxb s THR 163 Ca 0.52 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 3fxb s THR 163 Cb -0.34 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3fxb s THR 163 CO 0.43 -0.06 1.31 -2.84 -0.69 0.00 0.00 174.62 172.77 3fxb s PRO 164 N 1.64 4.09 -0.04 4.92 0.02 -1.26 -0.95 135.00 143.42 3fxb s PRO 164 Ca -0.02 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 62.48 3fxb s PRO 164 Cb -0.17 -3.83 0.01 0.00 0.02 0.00 0.00 34.50 30.53 3fxb s PRO 164 CO -0.07 -0.90 0.11 -0.51 -0.33 0.00 0.00 177.00 175.30 3fxb s LEU 165 N 3.94 1.59 0.51 -5.54 1.43 -0.87 -4.94 118.68 114.81 3fxb s LEU 165 Ca 0.57 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 3fxb s LEU 165 Cb -0.20 0.37 -0.06 0.00 0.03 0.00 0.00 46.19 46.33 3fxb s LEU 165 CO 0.19 -0.04 1.15 -2.84 0.23 0.00 0.00 176.35 175.03 3fxb s PRO 166 N 0.03 3.49 0.30 1.29 0.02 -1.26 -4.60 135.00 134.27 3fxb s PRO 166 Ca -0.00 1.68 0.06 0.00 0.02 0.00 0.00 61.00 62.76 3fxb s PRO 166 Cb -0.01 -2.15 0.75 0.00 0.02 0.00 0.00 34.50 33.11 3fxb s PRO 166 CO 0.00 -0.75 1.76 2.35 -0.33 0.00 0.00 177.00 180.03 3fxb h TRP 167 N 1.50 1.01 0.00 6.54 2.91 -2.01 -2.70 115.95 123.19 3fxb h TRP 167 Ca -0.50 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.56 3fxb h TRP 167 Cb 1.26 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 3fxb h TRP 167 CO 0.52 0.18 0.36 0.78 -1.03 0.00 0.00 178.44 179.24 3fxb h GLY 168 N 0.69 0.00 -0.88 2.65 0.00 -2.02 -0.08 103.07 103.44 3fxb h GLY 168 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3fxb h GLY 168 CO -0.41 0.00 -0.23 1.18 0.00 0.00 0.00 176.54 177.08 3fxb n GLU 169 N -2.63 1.59 -0.02 4.80 1.02 -1.02 -4.70 120.64 119.69 3fxb n GLU 169 Ca -0.02 -0.98 -0.13 0.00 -0.02 0.00 0.00 57.16 56.01 3fxb n GLU 169 Cb 0.39 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 3fxb n GLU 169 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fxb h VAL 170 N 2.14 1.39 0.52 2.62 2.07 -1.15 -1.20 116.25 122.65 3fxb h VAL 170 Ca 0.00 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 3fxb h VAL 170 Cb 0.57 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3fxb h VAL 170 CO 0.00 0.31 -0.29 0.22 0.02 0.00 0.00 177.57 177.84 3fxb h TYR 171 N -0.44 -0.75 -0.98 1.57 3.20 -1.84 -2.24 116.97 115.49 3fxb h TYR 171 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3fxb h TYR 171 Cb 0.52 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 3fxb h TYR 171 CO 0.10 -0.45 0.64 0.78 -1.64 0.00 0.00 178.16 177.58 3fxb h GLY 172 N -0.75 1.44 0.96 1.82 0.00 -1.86 -0.55 103.07 104.13 3fxb h GLY 172 Ca -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3fxb h GLY 172 CO 0.09 0.38 0.20 -1.33 0.00 0.00 0.00 176.54 175.89 3fxb h GLY 173 N 1.19 0.73 0.97 4.60 0.00 -1.15 -1.10 103.07 108.32 3fxb h GLY 173 Ca 0.40 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3fxb h GLY 173 CO -0.14 0.36 0.15 1.41 0.00 0.00 0.00 176.54 178.32 3fxb h LEU 174 N 0.61 0.70 -0.78 3.11 3.38 -0.95 0.98 115.31 122.37 3fxb h LEU 174 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3fxb h LEU 174 Cb 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3fxb h LEU 174 CO -0.02 0.73 0.44 -0.61 0.09 0.00 0.00 178.44 179.07 3fxb h GLN 175 N 0.65 1.07 -0.22 1.13 4.15 -0.91 -2.26 115.11 118.72 3fxb h GLN 175 Ca 0.15 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3fxb h GLN 175 Cb 0.28 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3fxb h GLN 175 CO -0.00 0.78 0.00 0.25 -1.93 0.00 0.00 178.83 177.93 3fxb n THR 176 N -4.45 0.28 -2.30 2.39 -2.24 -0.43 -4.95 114.28 102.57 3fxb n THR 176 Ca 0.07 -0.42 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 3fxb n THR 176 Cb 0.08 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3fxb n THR 176 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fxb n ASN 177 N 0.52 -5.50 0.19 3.42 5.15 -0.41 -4.88 115.26 113.75 3fxb n ASN 177 Ca 0.16 0.02 0.09 0.00 -0.60 0.00 0.00 54.58 54.26 3fxb n ASN 177 Cb 0.37 -4.56 0.12 0.00 -0.53 0.00 0.00 39.78 35.18 3fxb n ASN 177 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3fxb h VAL 178 N 0.00 0.27 -3.74 3.44 2.07 -1.14 -3.45 116.25 113.70 3fxb h VAL 178 Ca -0.45 -1.38 -0.41 0.00 0.82 0.00 0.00 66.70 65.28 3fxb h VAL 178 Cb 1.33 2.13 -0.20 0.00 -1.52 0.00 0.00 31.29 33.03 3fxb h VAL 178 CO 0.54 0.15 -0.77 0.27 0.02 0.00 0.00 177.57 177.79 3fxb s ILE 179 N -3.13 1.23 -0.14 4.57 -4.36 -1.10 -4.94 121.20 113.33 3fxb s ILE 179 Ca 0.06 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 3fxb s ILE 179 Cb 0.06 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.43 3fxb s ILE 179 CO 0.69 -0.34 0.43 0.00 0.24 0.00 0.00 174.94 175.96 3fxb n GLN 180 N 0.84 0.85 -3.66 0.37 3.00 0.75 -4.25 117.38 115.28 3fxb n GLN 180 Ca -0.18 -0.45 -0.13 0.00 -0.01 0.00 0.00 57.00 56.23 3fxb n GLN 180 Cb 0.56 -0.92 -0.06 0.00 0.00 0.00 0.00 30.24 29.82 3fxb n GLN 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3fxb s GLY 181 N -0.34 -0.29 0.06 1.08 0.00 -0.83 -2.72 107.32 104.29 3fxb s GLY 181 Ca 0.01 0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.80 3fxb s GLY 181 CO 0.02 0.07 0.65 1.62 0.00 0.00 0.00 173.10 175.46 3fxb s GLN 182 N -2.46 1.17 -0.03 2.90 -0.44 -0.43 0.19 119.66 120.55 3fxb s GLN 182 Ca -0.05 -0.15 0.01 0.00 -2.50 0.00 0.00 55.36 52.66 3fxb s GLN 182 Cb -0.01 0.54 0.02 0.00 -1.64 0.00 0.00 33.01 31.92 3fxb s GLN 182 CO -0.02 -0.45 -0.01 -1.83 0.50 0.00 0.00 175.29 173.47 3fxb s GLU 183 N -2.62 0.39 0.08 1.67 -1.05 -1.26 -0.25 118.70 115.66 3fxb s GLU 183 Ca -0.04 0.00 -0.26 0.00 -0.15 0.00 0.00 54.97 54.52 3fxb s GLU 183 Cb -0.01 -0.50 0.08 0.00 -0.44 0.00 0.00 34.13 33.27 3fxb s GLU 183 CO -0.03 -0.08 0.81 -0.80 0.95 0.00 0.00 175.26 176.11 3fxb s ASN 184 N 0.77 -0.38 0.99 0.83 0.01 -1.09 -4.94 114.94 111.12 3fxb s ASN 184 Ca -0.08 -0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 51.86 3fxb s ASN 184 Cb -0.11 0.48 0.19 0.00 0.41 0.00 0.00 41.25 42.21 3fxb s ASN 184 CO -0.01 -0.80 1.09 -2.16 -1.51 0.00 0.00 177.10 173.71 3fxb s PRO 185 N -3.37 0.45 0.20 -0.60 0.04 -1.26 -1.22 135.00 129.25 3fxb s PRO 185 Ca 0.05 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 3fxb s PRO 185 Cb -0.01 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.98 3fxb s PRO 185 CO -0.07 -2.89 1.64 1.15 0.04 0.00 0.00 177.00 176.86 3fxb h THR 186 N -2.04 1.27 -0.80 1.26 2.02 -1.91 -2.28 112.91 110.42 3fxb h THR 186 Ca -0.51 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 65.43 3fxb h THR 186 Cb 1.29 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 3fxb h THR 186 CO 0.48 0.43 0.53 2.19 0.37 0.00 0.00 175.52 179.52 3fxb h PHE 187 N 0.80 1.02 0.14 3.16 -0.00 -1.91 -2.66 116.94 117.49 3fxb h PHE 187 Ca 0.13 0.02 -0.28 0.00 -0.00 0.00 0.00 57.97 57.83 3fxb h PHE 187 Cb 0.66 -0.34 0.01 0.00 -0.00 0.00 0.00 35.95 36.28 3fxb h PHE 187 CO 0.04 0.65 -1.25 0.35 -0.00 0.00 0.00 178.31 178.09 3fxb h PHE 188 N 1.09 0.67 0.00 6.09 3.57 -1.90 -1.06 116.94 125.40 3fxb h PHE 188 Ca 0.29 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3fxb h PHE 188 Cb -0.11 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3fxb h PHE 188 CO -0.01 1.34 0.00 1.28 -2.23 0.00 0.00 178.31 178.69 3fxb n LEU 189 N -3.63 0.00 -0.04 0.59 4.77 -0.87 -1.08 117.00 116.73 3fxb n LEU 189 Ca -0.11 0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 56.13 3fxb n LEU 189 Cb 1.01 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 3fxb n LEU 189 CO 0.55 -0.01 -0.52 0.22 -1.33 0.00 0.00 177.39 176.31 3fxb h TYR 190 N 0.00 0.24 -0.87 -1.77 3.20 -1.42 -3.06 116.97 113.30 3fxb h TYR 190 Ca 0.00 -0.18 0.11 0.00 3.14 0.00 0.00 58.73 61.80 3fxb h TYR 190 Cb 0.45 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.63 3fxb h TYR 190 CO 0.00 1.56 0.50 1.03 -1.64 0.00 0.00 178.16 179.61 3fxb h SER 191 N -0.55 0.71 -0.12 -2.11 0.87 -0.93 -1.98 113.55 109.43 3fxb h SER 191 Ca -0.34 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3fxb h SER 191 Cb 1.59 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 3fxb h SER 191 CO -0.05 0.38 0.00 0.35 -0.53 0.00 0.00 176.83 176.98 3fxb n THR 192 N -4.74 0.15 -2.36 2.23 -2.24 -0.24 -4.93 114.28 102.16 3fxb n THR 192 Ca 0.15 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 3fxb n THR 192 Cb 0.32 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3fxb n THR 192 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fxb n LYS 193 N 0.20 -2.00 0.07 -0.78 4.76 -0.75 -4.84 118.16 114.82 3fxb n LYS 193 Ca 0.17 0.75 0.07 0.00 -2.87 0.00 0.00 58.31 56.43 3fxb n LYS 193 Cb 0.31 -5.35 0.34 0.00 -1.84 0.00 0.00 35.03 28.49 3fxb n LYS 193 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3fxb n ILE 194 N -3.49 1.24 0.43 -0.18 0.13 -1.15 -1.41 119.36 114.93 3fxb n ILE 194 Ca -0.18 0.44 0.13 0.00 -1.10 0.00 0.00 62.75 62.03 3fxb n ILE 194 Cb 0.63 -1.36 0.49 0.00 -0.84 0.00 0.00 39.64 38.55 3fxb n ILE 194 CO 0.00 0.00 0.00 0.10 2.80 0.00 0.00 176.55 179.45 3fxb h TYR 195 N 0.00 0.00 0.00 9.51 -0.00 -1.89 -2.83 116.97 121.76 3fxb h TYR 195 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 3fxb h TYR 195 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.87 3fxb h TYR 195 CO 0.00 0.00 -0.16 0.93 -0.00 0.00 0.00 178.16 178.93 3fxb h GLU 196 N 0.00 0.00 0.00 0.10 5.08 -1.61 -3.29 114.58 114.86 3fxb h GLU 196 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fxb h GLU 196 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3fxb h GLU 196 CO 0.00 0.16 -0.04 1.33 -1.00 0.00 0.00 179.01 179.46 3fxb n VAL 197 N -3.34 1.27 -4.21 3.13 0.24 -1.08 -5.03 118.33 109.30 3fxb n VAL 197 Ca 0.00 -1.45 -0.12 0.00 -2.04 0.00 0.00 64.34 60.73 3fxb n VAL 197 Cb 0.38 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.84 3fxb n VAL 197 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3fxb s THR 198 N -1.73 0.55 -0.03 3.34 -4.23 -1.17 -4.68 115.64 107.69 3fxb s THR 198 Ca 0.15 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 3fxb s THR 198 Cb 0.13 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 3fxb s THR 198 CO 0.01 -0.52 0.01 0.47 -0.54 0.00 0.00 174.62 174.06 3fxb n ASP 199 N -0.19 4.23 -4.09 3.99 10.43 -0.63 -4.84 116.55 125.46 3fxb n ASP 199 Ca -0.07 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 57.03 3fxb n ASP 199 Cb 0.63 0.61 -0.16 0.00 1.84 0.00 0.00 41.12 44.03 3fxb n ASP 199 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3fxb s TYR 200 N -2.08 1.67 -0.13 1.24 2.02 0.28 -2.57 117.35 117.77 3fxb s TYR 200 Ca -0.02 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 3fxb s TYR 200 Cb 0.01 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3fxb s TYR 200 CO 0.13 -0.25 -0.05 0.42 -1.57 0.00 0.00 175.55 174.23 3fxb s ILE 201 N 0.40 3.82 -0.09 2.71 1.01 -0.43 -1.27 121.20 127.36 3fxb s ILE 201 Ca -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3fxb s ILE 201 Cb -0.14 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3fxb s ILE 201 CO 0.04 0.52 -0.08 -0.89 0.00 0.00 0.00 174.94 174.53 3fxb s THR 202 N 0.08 0.95 -0.55 2.92 2.01 0.83 -0.79 115.64 121.09 3fxb s THR 202 Ca -0.01 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3fxb s THR 202 Cb -0.14 -0.94 0.13 0.00 0.01 0.00 0.00 72.50 71.56 3fxb s THR 202 CO 0.03 0.34 0.53 -0.31 -0.69 0.00 0.00 174.62 174.52 3fxb s TYR 203 N 1.28 3.23 -0.47 4.92 2.02 -0.29 -0.73 117.35 127.31 3fxb s TYR 203 Ca -0.03 -1.26 0.23 0.00 -0.37 0.00 0.00 57.07 55.63 3fxb s TYR 203 Cb -0.14 -3.83 0.09 0.00 -0.40 0.00 0.00 41.96 37.68 3fxb s TYR 203 CO -0.03 -1.05 1.07 0.00 -1.57 0.00 0.00 175.55 173.97 3fxb n ALA 204 N 5.37 2.97 -1.37 3.71 0.00 -1.26 -2.24 120.51 127.68 3fxb n ALA 204 Ca -0.13 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 3fxb n ALA 204 Cb 0.40 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3fxb n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxb n GLY 205 N 1.30 1.32 0.21 0.00 0.00 -1.26 -4.91 105.19 101.84 3fxb n GLY 205 Ca 0.01 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.67 3fxb n GLY 205 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3fxb h HIS 206 N 0.00 0.00 -2.62 1.61 2.07 -1.94 -3.43 115.15 110.84 3fxb h HIS 206 Ca -0.25 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.19 3fxb h HIS 206 Cb 0.81 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.61 3fxb h HIS 206 CO 0.35 0.27 0.01 1.21 -3.07 0.00 0.00 177.93 176.69 3fxb s ASN 207 N -6.24 -0.44 -0.09 3.10 3.04 -1.26 -0.25 114.94 112.79 3fxb s ASN 207 Ca 0.02 0.30 0.00 0.00 0.04 0.00 0.00 52.86 53.22 3fxb s ASN 207 Cb 0.09 0.46 -0.03 0.00 -1.54 0.00 0.00 41.25 40.24 3fxb s ASN 207 CO 0.66 -0.63 -0.08 0.21 -3.04 0.00 0.00 177.10 174.22 3fxb s ASN 208 N -1.62 4.55 -0.25 -4.21 3.84 -1.26 -0.90 114.94 115.09 3fxb s ASN 208 Ca -0.09 -0.09 -0.29 0.00 0.21 0.00 0.00 52.86 52.60 3fxb s ASN 208 Cb -0.01 -1.30 -0.01 0.00 -0.55 0.00 0.00 41.25 39.37 3fxb s ASN 208 CO 0.03 0.30 1.34 0.12 -2.79 0.00 0.00 177.10 176.10 3fxb s PHE 209 N -0.45 2.65 0.14 0.43 5.36 -0.22 -4.93 117.98 120.94 3fxb s PHE 209 Ca 0.07 0.86 0.05 0.00 -0.96 0.00 0.00 56.93 56.94 3fxb s PHE 209 Cb -0.12 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 3fxb s PHE 209 CO 0.02 -1.90 0.07 0.95 -1.46 0.00 0.00 175.22 172.90 3fxb s THR 210 N 4.21 4.25 0.15 0.12 -4.23 -1.26 -0.22 115.64 118.66 3fxb s THR 210 Ca 0.58 -1.07 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 3fxb s THR 210 Cb -0.19 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3fxb s THR 210 CO 0.21 -0.02 0.27 0.28 -0.54 0.00 0.00 174.62 174.83 3fxb s THR 211 N -1.59 0.08 0.01 3.99 -1.32 -0.81 -4.29 115.64 111.70 3fxb s THR 211 Ca 0.29 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 3fxb s THR 211 Cb -0.11 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 3fxb s THR 211 CO 0.21 -0.36 -0.06 0.00 -2.21 0.00 0.00 174.62 172.21 3fxb s ALA 212 N -3.94 0.48 -0.11 11.08 0.00 -1.19 -1.59 121.76 126.48 3fxb s ALA 212 Ca 0.15 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3fxb s ALA 212 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3fxb s ALA 212 CO -0.02 0.08 -0.23 0.08 0.00 0.00 0.00 175.76 175.67 3fxb s VAL 213 N -0.41 2.14 0.14 0.00 1.01 -0.45 -1.44 120.40 121.40 3fxb s VAL 213 Ca -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3fxb s VAL 213 Cb -0.04 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3fxb s VAL 213 CO -0.00 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.70 3fxb s MET 214 N 0.42 0.98 0.17 2.72 0.23 -0.09 -1.04 119.30 122.68 3fxb s MET 214 Ca -0.16 -1.47 0.10 0.00 -1.03 0.00 0.00 55.69 53.13 3fxb s MET 214 Cb -0.17 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 3fxb s MET 214 CO 0.07 -0.23 -0.22 0.00 -2.03 0.00 0.00 175.02 172.61 3fxb s ALA 215 N -3.95 2.24 -0.04 3.16 0.00 -0.34 -0.82 121.76 122.01 3fxb s ALA 215 Ca 0.24 -1.52 -0.33 0.00 0.00 0.00 0.00 51.96 50.35 3fxb s ALA 215 Cb 0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 23.12 22.81 3fxb s ALA 215 CO 0.02 0.36 1.87 -1.71 0.00 0.00 0.00 175.76 176.30 3fxb n ASN 216 N 0.44 3.55 -0.22 0.00 2.85 -0.43 0.25 115.26 121.70 3fxb n ASN 216 Ca -0.14 0.97 -0.08 0.00 -0.11 0.00 0.00 54.58 55.22 3fxb n ASN 216 Cb 0.56 -1.41 0.03 0.00 1.24 0.00 0.00 39.78 40.20 3fxb n ASN 216 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3fxb h LYS 217 N 9.08 0.97 -0.32 1.20 3.64 -1.71 0.74 116.57 130.17 3fxb h LYS 217 Ca -0.48 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 58.69 3fxb h LYS 217 Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3fxb h LYS 217 CO 0.94 0.88 0.17 -0.44 -2.27 0.00 0.00 179.45 178.73 3fxb h ASP 218 N 0.89 0.25 0.09 4.20 3.32 -1.90 0.81 116.42 124.08 3fxb h ASP 218 Ca 0.19 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3fxb h ASP 218 Cb 0.34 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3fxb h ASP 218 CO -0.00 0.19 -0.16 0.15 -1.72 0.00 0.00 179.24 177.69 3fxb h PHE 219 N 0.34 -0.43 -0.56 4.55 3.57 -1.82 -2.14 116.94 120.46 3fxb h PHE 219 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3fxb h PHE 219 Cb 0.03 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3fxb h PHE 219 CO -0.09 -0.24 0.36 -0.92 -2.23 0.00 0.00 178.31 175.18 3fxb h TYR 220 N -0.32 0.68 0.00 0.41 3.20 -0.57 -1.33 116.97 119.04 3fxb h TYR 220 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fxb h TYR 220 Cb 0.34 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3fxb h TYR 220 CO -0.17 0.41 0.00 -0.44 -1.64 0.00 0.00 178.16 176.32 3fxb h ASP 221 N 0.73 0.00 1.48 -2.11 3.45 -0.79 -2.34 116.42 116.83 3fxb h ASP 221 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3fxb h ASP 221 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3fxb h ASP 221 CO -0.06 0.00 0.00 1.23 -1.57 0.00 0.00 179.24 178.84 3fxb h GLY 222 N 1.48 0.00 -1.75 2.75 0.00 -0.54 -3.46 103.07 101.54 3fxb h GLY 222 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3fxb h GLY 222 CO 0.00 0.00 0.38 1.08 0.00 0.00 0.00 176.54 178.00 3fxb s LEU 223 N -5.21 3.59 0.75 3.11 1.43 -0.88 -5.05 118.68 116.41 3fxb s LEU 223 Ca 0.08 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 3fxb s LEU 223 Cb 0.09 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.84 3fxb s LEU 223 CO 0.58 -0.75 1.09 -0.94 0.23 0.00 0.00 176.35 176.56 3fxb s SER 224 N -2.97 4.72 0.51 2.29 1.04 -1.26 -4.76 113.70 113.27 3fxb s SER 224 Ca 0.60 1.80 0.21 0.00 0.48 0.00 0.00 55.95 59.04 3fxb s SER 224 Cb -0.12 -2.52 1.29 0.00 0.10 0.00 0.00 66.02 64.77 3fxb s SER 224 CO 0.33 -1.89 2.02 0.00 0.98 0.00 0.00 173.24 174.68 3fxb h ALA 225 N -0.96 2.29 -0.06 5.32 0.00 -1.98 0.14 119.26 124.01 3fxb h ALA 225 Ca -0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 3fxb h ALA 225 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fxb h ALA 225 CO 0.53 -0.41 -0.65 0.93 0.00 0.00 0.00 179.25 179.64 3fxb h GLU 226 N 0.10 0.55 -0.49 0.00 3.07 -1.99 -2.64 114.58 113.18 3fxb h GLU 226 Ca 0.21 -0.51 -0.05 0.00 -0.50 0.00 0.00 59.36 58.51 3fxb h GLU 226 Cb 0.71 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3fxb h GLU 226 CO -0.02 1.14 0.09 -0.44 -1.40 0.00 0.00 179.01 178.38 3fxb h ASP 227 N 0.15 0.77 -0.41 1.42 3.32 -1.61 -0.32 116.42 119.73 3fxb h ASP 227 Ca -0.06 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.75 3fxb h ASP 227 Cb 1.32 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3fxb h ASP 227 CO 0.13 0.82 0.25 1.56 -1.72 0.00 0.00 179.24 180.28 3fxb h GLN 228 N 0.69 0.49 -0.68 3.56 4.20 -0.86 -1.33 115.11 121.17 3fxb h GLN 228 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3fxb h GLN 228 Cb 0.37 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3fxb h GLN 228 CO 0.01 0.32 0.40 0.37 -0.67 0.00 0.00 178.83 179.26 3fxb h GLN 229 N 0.50 0.94 -0.78 1.46 5.75 -1.37 -1.59 115.11 120.01 3fxb h GLN 229 Ca 0.16 -0.09 0.10 0.00 -0.15 0.00 0.00 58.65 58.67 3fxb h GLN 229 Cb -0.00 -0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.28 3fxb h GLN 229 CO -0.07 0.68 0.42 1.25 -2.65 0.00 0.00 178.83 178.46 3fxb h LEU 230 N 0.93 0.57 -0.08 -2.39 5.85 -0.52 0.18 115.31 119.85 3fxb h LEU 230 Ca 0.24 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3fxb h LEU 230 Cb -0.01 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3fxb h LEU 230 CO -0.04 0.31 0.01 0.58 -0.34 0.00 0.00 178.44 178.96 3fxb h VAL 231 N 0.69 1.21 -0.78 1.05 2.07 -0.85 -1.58 116.25 118.07 3fxb h VAL 231 Ca 0.39 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3fxb h VAL 231 Cb 0.41 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3fxb h VAL 231 CO -0.27 0.19 0.49 1.56 0.02 0.00 0.00 177.57 179.55 3fxb h GLN 232 N -0.10 0.90 -0.49 1.57 1.08 -0.67 -0.03 115.11 117.39 3fxb h GLN 232 Ca 0.03 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3fxb h GLN 232 Cb 0.28 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3fxb h GLN 232 CO 0.00 0.60 0.30 -0.91 -0.95 0.00 0.00 178.83 177.87 3fxb h ASN 233 N 0.93 0.59 -0.08 1.46 2.35 -0.58 -1.94 115.58 118.31 3fxb h ASN 233 Ca 0.32 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3fxb h ASN 233 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3fxb h ASN 233 CO -0.13 0.47 -0.31 0.00 -1.65 0.00 0.00 177.43 175.80 3fxb h ALA 234 N 1.15 0.97 -0.35 -0.83 0.00 -0.59 -1.71 119.26 117.89 3fxb h ALA 234 Ca 0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3fxb h ALA 234 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fxb h ALA 234 CO -0.03 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 3fxb h ALA 235 N 1.19 0.49 -0.37 0.00 0.00 -0.87 -0.97 119.26 118.73 3fxb h ALA 235 Ca 0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3fxb h ALA 235 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fxb h ALA 235 CO 0.06 0.38 -0.15 1.25 0.00 0.00 0.00 179.25 180.79 3fxb h LEU 236 N 0.50 0.67 -0.50 0.00 5.85 -1.27 -0.86 115.31 119.69 3fxb h LEU 236 Ca 0.08 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 3fxb h LEU 236 Cb 0.65 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3fxb h LEU 236 CO 0.04 0.84 -0.47 0.00 -0.34 0.00 0.00 178.44 178.52 3fxb h ALA 237 N 1.22 0.68 -0.41 1.25 0.00 -1.25 -2.66 119.26 118.09 3fxb h ALA 237 Ca 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3fxb h ALA 237 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fxb h ALA 237 CO 0.04 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.76 3fxb h ALA 238 N 0.92 0.86 0.22 0.00 0.00 -1.00 -2.61 119.26 117.65 3fxb h ALA 238 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3fxb h ALA 238 Cb 1.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3fxb h ALA 238 CO 0.10 0.64 -0.10 -0.92 0.00 0.00 0.00 179.25 178.96 3fxb h TYR 239 N 0.71 -0.27 -0.98 0.00 3.20 -1.06 -0.53 116.97 118.04 3fxb h TYR 239 Ca 0.10 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3fxb h TYR 239 Cb 0.73 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 3fxb h TYR 239 CO 0.04 -0.12 0.64 -0.44 -1.64 0.00 0.00 178.16 176.64 3fxb h ASP 240 N -0.36 1.06 -0.37 -2.11 3.32 -1.48 -1.69 116.42 114.78 3fxb h ASP 240 Ca -0.03 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3fxb h ASP 240 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3fxb h ASP 240 CO 0.05 0.72 -0.28 -0.74 -1.72 0.00 0.00 179.24 177.27 3fxb h HIS 241 N 1.22 1.03 -0.19 4.55 2.76 -1.32 -3.26 115.15 119.95 3fxb h HIS 241 Ca 0.40 -0.27 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 3fxb h HIS 241 Cb 0.04 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.76 3fxb h HIS 241 CO -0.00 1.06 -0.27 1.15 -1.30 0.00 0.00 177.93 178.57 3fxb h THR 242 N 0.76 1.34 -0.72 6.26 2.02 -0.53 -3.00 112.91 119.04 3fxb h THR 242 Ca 0.09 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.80 3fxb h THR 242 Cb 0.84 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 3fxb h THR 242 CO 0.07 0.45 0.48 -0.37 0.37 0.00 0.00 175.52 176.52 3fxb h VAL 243 N 0.17 1.18 0.28 3.16 -1.51 -1.41 0.41 116.25 118.52 3fxb h VAL 243 Ca 0.02 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 3fxb h VAL 243 Cb 0.84 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 3fxb h VAL 243 CO 0.06 0.18 -0.13 0.58 -1.23 0.00 0.00 177.57 177.03 3fxb h VAL 244 N 0.97 0.76 -0.18 7.19 2.07 -1.60 -2.96 116.25 122.49 3fxb h VAL 244 Ca 0.27 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3fxb h VAL 244 Cb -0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3fxb h VAL 244 CO -0.06 0.05 0.03 0.22 0.02 0.00 0.00 177.57 177.83 3fxb h TYR 245 N -0.49 0.04 0.00 1.57 3.20 -1.26 -2.90 116.97 117.12 3fxb h TYR 245 Ca -0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3fxb h TYR 245 Cb 0.37 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3fxb h TYR 245 CO -0.03 0.01 -0.04 -0.56 -1.64 0.00 0.00 178.16 175.91 3fxb h GLN 246 N 0.10 0.00 -0.08 1.82 -0.00 -0.99 -2.22 115.11 113.74 3fxb h GLN 246 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 3fxb h GLN 246 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.56 3fxb h GLN 246 CO -0.12 0.04 -0.07 1.96 -0.00 0.00 0.00 178.83 180.64 3fxb h GLN 247 N 0.00 0.18 -0.93 0.06 4.20 -1.34 -3.00 115.11 114.28 3fxb h GLN 247 Ca -0.00 -0.09 0.11 0.00 0.06 0.00 0.00 58.65 58.72 3fxb h GLN 247 Cb 0.45 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 3fxb h GLN 247 CO 0.00 0.61 0.60 1.96 -0.67 0.00 0.00 178.83 181.33 3fxb h GLN 248 N -0.24 0.89 0.76 1.46 7.50 -1.30 -2.86 115.11 121.32 3fxb h GLN 248 Ca 0.01 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.07 3fxb h GLN 248 Cb 0.57 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 27.91 3fxb h GLN 248 CO 0.02 0.59 -0.37 0.00 -1.50 0.00 0.00 178.83 177.57 3fxb h ALA 249 N 1.55 -1.02 -0.92 3.87 0.00 -1.41 -2.85 119.26 118.47 3fxb h ALA 249 Ca 0.44 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.31 3fxb h ALA 249 Cb 0.44 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3fxb h ALA 249 CO -0.20 -1.01 0.60 0.00 0.00 0.00 0.00 179.25 178.63 3fxb h ALA 250 N -0.99 2.06 -0.00 0.00 0.00 -1.49 0.21 119.26 119.03 3fxb h ALA 250 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fxb h ALA 250 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fxb h ALA 250 CO 0.17 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 178.67 3fxb n ASP 251 N -4.56 0.19 0.00 0.00 5.75 -1.08 -4.27 116.55 112.57 3fxb n ASP 251 Ca 0.20 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 3fxb n ASP 251 Cb 0.64 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3fxb n ASP 251 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3fxb n THR 252 N -0.83 0.00 0.06 2.12 -2.24 -0.49 -4.93 114.28 107.98 3fxb n THR 252 Ca 0.22 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.97 3fxb n THR 252 Cb 0.14 -0.01 0.19 0.00 -2.10 0.00 0.00 70.33 68.55 3fxb n THR 252 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3fxb h GLU 253 N 0.00 0.33 -0.62 -0.78 4.39 -1.19 -2.98 114.58 113.74 3fxb h GLU 253 Ca 0.00 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3fxb h GLU 253 Cb 0.02 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3fxb h GLU 253 CO 0.00 0.69 0.37 1.25 -1.16 0.00 0.00 179.01 180.16 3fxb h LEU 254 N 0.28 0.74 -2.06 1.33 5.85 -1.82 -1.71 115.31 117.92 3fxb h LEU 254 Ca 0.03 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3fxb h LEU 254 Cb 0.84 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3fxb h LEU 254 CO 0.07 0.57 -0.06 0.00 -0.34 0.00 0.00 178.44 178.68 3fxb h ALA 255 N 1.55 1.64 0.12 1.25 0.00 -1.90 -2.32 119.26 119.60 3fxb h ALA 255 Ca 0.22 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 3fxb h ALA 255 Cb -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fxb h ALA 255 CO -0.04 0.08 -1.21 0.87 0.00 0.00 0.00 179.25 178.95 3fxb h LYS 256 N 0.00 0.33 -0.27 0.00 1.57 -1.41 -2.59 116.57 114.20 3fxb h LYS 256 Ca -0.00 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3fxb h LYS 256 Cb 0.14 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3fxb h LYS 256 CO 0.01 1.22 0.15 0.82 -0.57 0.00 0.00 179.45 181.08 3fxb h ILE 257 N 0.12 1.12 0.00 1.86 2.04 -1.16 -1.30 117.51 120.19 3fxb h ILE 257 Ca -0.14 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3fxb h ILE 257 Cb 1.91 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3fxb h ILE 257 CO 0.20 0.12 -0.20 0.24 0.00 0.00 0.00 178.15 178.51 3fxb h MET 258 N 0.32 0.00 -0.08 2.37 2.86 -1.51 0.10 114.93 118.99 3fxb h MET 258 Ca 0.09 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 3fxb h MET 258 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.72 3fxb h MET 258 CO -0.02 0.20 -0.54 1.49 1.06 0.00 0.00 176.91 179.11 3fxb h GLU 259 N 0.00 0.50 0.01 1.72 4.22 -1.04 -2.72 114.58 117.27 3fxb h GLU 259 Ca -0.00 -0.44 -0.20 0.00 0.08 0.00 0.00 59.36 58.80 3fxb h GLU 259 Cb 0.48 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3fxb h GLU 259 CO 0.03 1.07 -0.94 0.00 -2.18 0.00 0.00 179.01 176.98 3fxb h ALA 260 N 0.44 0.45 -2.62 2.92 0.00 -1.04 -3.40 119.26 116.01 3fxb h ALA 260 Ca -0.05 -0.84 -0.59 0.00 0.00 0.00 0.00 54.91 53.43 3fxb h ALA 260 Cb 1.20 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.46 3fxb h ALA 260 CO 0.11 1.14 -0.85 0.21 0.00 0.00 0.00 179.25 179.86 3fxb s LYS 261 N -2.88 0.82 0.53 0.00 2.20 0.33 -5.01 119.74 115.74 3fxb s LYS 261 Ca 0.00 -1.69 0.30 0.00 -0.36 0.00 0.00 55.97 54.22 3fxb s LYS 261 Cb 0.10 -1.58 1.48 0.00 -1.51 0.00 0.00 37.83 36.32 3fxb s LYS 261 CO 0.81 -1.24 2.06 -1.00 -0.36 0.00 0.00 175.35 175.62 3fxb h PRO 262 N 6.60 0.00 0.00 4.03 0.13 -1.70 -2.77 132.00 138.29 3fxb h PRO 262 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fxb h PRO 262 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3fxb h PRO 262 CO 0.34 0.10 0.00 0.93 -0.23 0.00 0.00 178.00 179.14 3fxb h GLU 263 N 0.00 0.00 -6.42 0.86 3.07 -1.95 -3.46 114.58 106.68 3fxb h GLU 263 Ca -0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3fxb h GLU 263 Cb 0.38 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.38 3fxb h GLU 263 CO 0.01 0.00 0.21 -0.12 -1.40 0.00 0.00 179.01 177.71 3fxb n MET 264 N -3.04 1.32 -3.54 2.33 1.56 -1.05 -4.93 117.12 109.78 3fxb n MET 264 Ca 0.02 0.47 -0.42 0.00 -0.27 0.00 0.00 57.70 57.50 3fxb n MET 264 Cb 0.38 -1.90 -0.10 0.00 2.15 0.00 0.00 33.22 33.75 3fxb n MET 264 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 3fxb s GLN 265 N -1.02 2.83 -0.30 2.12 2.00 -1.06 -5.04 119.66 119.20 3fxb s GLN 265 Ca 0.65 -1.19 -0.04 0.00 -2.00 0.00 0.00 55.36 52.77 3fxb s GLN 265 Cb -0.76 -3.86 0.03 0.00 0.80 0.00 0.00 33.01 29.23 3fxb s GLN 265 CO 0.56 -0.82 0.03 0.08 -0.50 0.00 0.00 175.29 174.65 3fxb s VAL 266 N 1.57 3.40 -0.16 1.34 1.01 -1.26 -1.31 120.40 124.99 3fxb s VAL 266 Ca 0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 3fxb s VAL 266 Cb -0.21 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3fxb s VAL 266 CO 0.06 -0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.15 3fxb s THR 267 N 1.36 3.23 -0.31 3.92 2.01 0.03 -4.99 115.64 120.88 3fxb s THR 267 Ca -0.01 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 3fxb s THR 267 Cb -0.18 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 69.96 3fxb s THR 267 CO 0.00 0.50 0.09 0.54 -0.69 0.00 0.00 174.62 175.06 3fxb s VAL 268 N 0.63 3.90 0.27 3.82 0.11 -1.26 -1.14 120.40 126.73 3fxb s VAL 268 Ca -0.06 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 57.83 3fxb s VAL 268 Cb -0.15 -3.10 -0.09 0.00 -1.53 0.00 0.00 36.38 31.51 3fxb s VAL 268 CO 0.03 -0.03 1.24 -0.76 -3.33 0.00 0.00 175.10 172.24 3fxb s LEU 269 N 1.46 4.46 0.81 2.54 1.43 -0.95 -4.96 118.68 123.47 3fxb s LEU 269 Ca 0.01 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3fxb s LEU 269 Cb -0.18 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.49 3fxb s LEU 269 CO 0.03 -0.40 1.09 0.42 0.23 0.00 0.00 176.35 177.71 3fxb s THR 270 N -0.71 3.13 0.39 5.49 -4.23 -1.26 -4.81 115.64 113.64 3fxb s THR 270 Ca 0.50 0.37 0.10 0.00 -1.18 0.00 0.00 61.69 61.48 3fxb s THR 270 Cb -0.36 -2.92 0.32 0.00 1.34 0.00 0.00 72.50 70.88 3fxb s THR 270 CO 0.44 -0.48 1.94 0.44 -0.54 0.00 0.00 174.62 176.42 3fxb h ASP 271 N -1.23 0.55 -0.47 3.99 3.32 -1.97 0.43 116.42 121.05 3fxb h ASP 271 Ca -0.46 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.66 3fxb h ASP 271 Cb 1.25 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 3fxb h ASP 271 CO 0.54 0.32 0.18 -0.08 -1.72 0.00 0.00 179.24 178.48 3fxb h GLU 272 N 0.61 0.35 0.00 3.56 4.81 -2.02 -2.67 114.58 119.22 3fxb h GLU 272 Ca 0.35 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3fxb h GLU 272 Cb 0.53 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3fxb h GLU 272 CO -0.12 0.23 -0.11 1.96 -0.73 0.00 0.00 179.01 180.24 3fxb h GLN 273 N 0.36 0.00 -0.00 1.92 4.20 -1.35 -3.19 115.11 117.05 3fxb h GLN 273 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3fxb h GLN 273 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fxb h GLN 273 CO -0.21 0.11 -0.21 0.54 -0.67 0.00 0.00 178.83 178.39 3fxb n ARG 274 N -3.17 0.25 -0.18 1.46 1.74 -0.11 -4.39 116.66 112.26 3fxb n ARG 274 Ca 0.02 -0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.00 3fxb n ARG 274 Cb 0.48 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.50 3fxb n ARG 274 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3fxb h SER 275 N 0.23 -0.25 0.29 0.55 4.64 -1.49 -1.27 113.55 116.24 3fxb h SER 275 Ca 0.00 0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3fxb h SER 275 Cb 0.46 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3fxb h SER 275 CO 0.00 -0.09 -0.28 0.00 -0.87 0.00 0.00 176.83 175.59 3fxb h PHE 277 N 0.00 1.07 0.00 0.00 0.04 -1.54 -2.92 116.94 113.58 3fxb h PHE 277 Ca -0.00 -0.43 -0.06 0.00 2.80 0.00 0.00 57.97 60.28 3fxb h PHE 277 Cb 0.49 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3fxb h PHE 277 CO 0.00 1.25 -0.29 0.87 -0.60 0.00 0.00 178.31 179.54 3fxb h LYS 278 N 0.60 0.00 -0.47 1.51 1.57 -1.16 -2.77 116.57 115.85 3fxb h LYS 278 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3fxb h LYS 278 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3fxb h LYS 278 CO 0.14 0.29 -0.20 0.93 -0.57 0.00 0.00 179.45 180.04 3fxb h GLU 279 N 0.00 0.95 0.00 3.15 5.08 -1.32 -2.93 114.58 119.51 3fxb h GLU 279 Ca -0.00 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 3fxb h GLU 279 Cb 0.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3fxb h GLU 279 CO 0.04 1.05 -0.14 0.00 -1.00 0.00 0.00 179.01 178.96 3fxb h ALA 280 N 0.94 1.05 -0.17 3.43 0.00 -1.33 -3.21 119.26 119.96 3fxb h ALA 280 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3fxb h ALA 280 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fxb h ALA 280 CO 0.06 0.18 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 3fxb h ALA 281 N 1.86 1.44 -0.04 0.00 0.00 -1.29 -2.29 119.26 118.93 3fxb h ALA 281 Ca -0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 3fxb h ALA 281 Cb 0.61 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fxb h ALA 281 CO 0.02 0.39 -0.92 0.00 0.00 0.00 0.00 179.25 178.74 3fxb h ALA 282 N 1.59 0.29 0.00 0.00 0.00 -1.64 -2.65 119.26 116.85 3fxb h ALA 282 Ca 0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3fxb h ALA 282 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3fxb h ALA 282 CO 0.02 0.73 -0.56 1.05 0.00 0.00 0.00 179.25 180.49 3fxb h GLU 283 N 0.37 0.00 -0.41 0.00 4.11 -1.68 -2.01 114.58 114.97 3fxb h GLU 283 Ca -0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.19 3fxb h GLU 283 Cb 1.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 3fxb h GLU 283 CO 0.17 0.56 -0.33 0.28 0.07 0.00 0.00 179.01 179.77 3fxb h VAL 284 N 0.00 1.27 -0.63 -1.06 2.07 -1.46 -1.88 116.25 114.56 3fxb h VAL 284 Ca -0.01 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3fxb h VAL 284 Cb 1.28 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3fxb h VAL 284 CO 0.07 0.50 0.36 -0.08 0.02 0.00 0.00 177.57 178.45 3fxb h GLU 285 N 0.76 0.87 -0.75 1.57 4.81 -1.31 -1.54 114.58 118.99 3fxb h GLU 285 Ca 0.07 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3fxb h GLU 285 Cb 0.92 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 3fxb h GLU 285 CO 0.09 0.64 0.45 0.00 -0.73 0.00 0.00 179.01 179.46 3fxb h ALA 286 N 1.18 1.38 -0.58 2.92 0.00 -1.29 -2.42 119.26 120.44 3fxb h ALA 286 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3fxb h ALA 286 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3fxb h ALA 286 CO -0.04 0.53 0.11 0.87 0.00 0.00 0.00 179.25 180.72 3fxb h LYS 287 N 1.03 0.93 -0.65 0.00 1.79 -0.78 -3.04 116.57 115.85 3fxb h LYS 287 Ca 0.27 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3fxb h LYS 287 Cb -0.04 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 3fxb h LYS 287 CO -0.05 0.85 0.21 0.35 -1.08 0.00 0.00 179.45 179.73 3fxb h PHE 288 N 0.88 1.01 -0.70 -1.35 3.57 -0.81 -2.36 116.94 117.18 3fxb h PHE 288 Ca 0.18 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3fxb h PHE 288 Cb 0.37 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3fxb h PHE 288 CO 0.02 0.81 0.30 0.82 -2.23 0.00 0.00 178.31 178.03 3fxb h ILE 289 N 0.96 1.24 -0.64 1.41 1.08 -1.41 -2.69 117.51 117.45 3fxb h ILE 289 Ca 0.21 -0.73 -0.07 0.00 -0.39 0.00 0.00 64.86 63.88 3fxb h ILE 289 Cb 0.27 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3fxb h ILE 289 CO -0.01 0.30 0.12 -0.33 -0.69 0.00 0.00 178.15 177.53 3fxb h GLU 290 N 0.98 1.04 0.00 2.37 5.08 -1.36 -2.83 114.58 119.87 3fxb h GLU 290 Ca 0.23 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3fxb h GLU 290 Cb 0.18 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3fxb h GLU 290 CO -0.02 0.95 -0.39 0.52 -1.00 0.00 0.00 179.01 179.07 3fxb h MET 291 N 0.98 0.26 -0.01 2.33 2.86 -1.33 -3.36 114.93 116.67 3fxb h MET 291 Ca 0.20 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3fxb h MET 291 Cb 0.40 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3fxb h MET 291 CO 0.01 1.00 -0.36 0.25 1.06 0.00 0.00 176.91 178.87 3fxb n THR 292 N -4.39 0.00 -4.56 2.22 -2.24 -1.03 -5.06 114.28 99.21 3fxb n THR 292 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3fxb n THR 292 Cb 0.57 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3fxb n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fxb n GLY 293 N 1.38 -0.16 0.09 3.38 0.00 -1.07 -3.37 105.19 105.45 3fxb n GLY 293 Ca 0.11 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.21 3fxb n GLY 293 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fxb n ASP 294 N -1.68 0.57 0.25 1.61 5.75 -1.26 -2.93 116.55 118.86 3fxb n ASP 294 Ca 0.00 0.59 -0.15 0.00 -0.01 0.00 0.00 54.79 55.22 3fxb n ASP 294 Cb 0.00 -0.73 -0.08 0.00 -1.03 0.00 0.00 41.12 39.28 3fxb n ASP 294 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 3fxb h SER 295 N 0.00 -0.54 0.93 -1.12 0.87 -1.97 -3.19 113.55 108.53 3fxb h SER 295 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3fxb h SER 295 Cb 0.51 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3fxb h SER 295 CO 0.00 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 3fxb n GLY 296 N -0.84 -1.41 0.26 5.77 0.00 -1.22 -3.46 105.19 104.30 3fxb n GLY 296 Ca -0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3fxb n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxb h ALA 297 N 2.82 0.62 0.00 4.61 0.00 -1.52 -2.63 119.26 123.16 3fxb h ALA 297 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3fxb h ALA 297 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fxb h ALA 297 CO 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.64 3fxb h ALA 298 N 0.83 1.20 -0.26 0.00 0.00 -1.58 -2.63 119.26 116.82 3fxb h ALA 298 Ca 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3fxb h ALA 298 Cb 0.98 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fxb h ALA 298 CO 0.09 0.35 -0.21 0.82 0.00 0.00 0.00 179.25 180.31 3fxb h ILE 299 N 0.00 1.31 -0.58 0.00 2.04 -1.63 -2.66 117.51 115.98 3fxb h ILE 299 Ca -0.00 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 3fxb h ILE 299 Cb 0.64 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3fxb h ILE 299 CO 0.04 0.42 0.21 0.25 0.00 0.00 0.00 178.15 179.07 3fxb h LEU 300 N 0.31 0.83 0.04 1.44 5.85 -1.25 -0.69 115.31 121.84 3fxb h LEU 300 Ca 0.05 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3fxb h LEU 300 Cb 0.76 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3fxb h LEU 300 CO 0.05 0.79 -0.02 0.50 -0.34 0.00 0.00 178.44 179.42 3fxb h LYS 301 N 0.81 -0.06 -0.64 1.25 3.64 -1.52 -2.14 116.57 117.91 3fxb h LYS 301 Ca 0.19 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3fxb h LYS 301 Cb 0.24 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3fxb h LYS 301 CO -0.01 0.00 0.17 0.37 -2.27 0.00 0.00 179.45 177.71 3fxb h GLN 302 N -0.10 0.99 -0.67 1.90 5.75 -1.39 -1.71 115.11 119.87 3fxb h GLN 302 Ca -0.01 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.29 3fxb h GLN 302 Cb 0.09 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3fxb h GLN 302 CO 0.01 0.88 0.44 0.52 -2.65 0.00 0.00 178.83 178.03 3fxb h MET 303 N 0.95 0.85 -0.18 1.69 2.86 -0.96 0.10 114.93 120.25 3fxb h MET 303 Ca 0.21 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 3fxb h MET 303 Cb 0.32 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3fxb h MET 303 CO -0.00 0.56 -0.63 0.87 1.06 0.00 0.00 176.91 178.77 3fxb h LYS 304 N 0.87 0.63 -0.12 1.72 1.57 -0.80 -2.16 116.57 118.29 3fxb h LYS 304 Ca 0.25 -0.44 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 3fxb h LYS 304 Cb -0.05 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3fxb h LYS 304 CO -0.06 1.06 -0.44 0.00 -0.57 0.00 0.00 179.45 179.44 3fxb h ALA 305 N 0.83 1.03 -0.39 3.86 0.00 -0.75 -2.39 119.26 121.45 3fxb h ALA 305 Ca -0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 3fxb h ALA 305 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3fxb h ALA 305 CO 0.12 0.62 -0.36 -0.44 0.00 0.00 0.00 179.25 179.19 3fxb h ASP 306 N 0.23 0.99 -0.70 0.00 3.32 -0.75 -2.06 116.42 117.45 3fxb h ASP 306 Ca 0.02 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3fxb h ASP 306 Cb 0.87 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3fxb h ASP 306 CO 0.07 1.24 0.38 -0.07 -1.72 0.00 0.00 179.24 179.14 3fxb h LEU 307 N 0.75 0.88 -0.47 1.55 3.38 -1.33 -3.00 115.31 117.07 3fxb h LEU 307 Ca 0.06 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3fxb h LEU 307 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fxb h LEU 307 CO 0.09 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 179.23 3fxb h ALA 308 N 1.19 0.65 0.00 1.53 0.00 -1.38 -2.99 119.26 118.26 3fxb h ALA 308 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fxb h ALA 308 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fxb h ALA 308 CO -0.04 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3fxb n ALA 309 N -2.48 2.55 -0.62 0.00 0.00 -0.78 -5.11 120.51 114.07 3fxb n ALA 309 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3fxb n ALA 309 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3fxb n ALA 309 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13