#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sww s ILE 6 N 0.00 4.66 -0.12 -0.18 -1.09 -1.26 -4.59 121.20 118.61 1sww s ILE 6 Ca 0.00 1.15 0.19 0.00 -2.23 0.00 0.00 60.65 59.76 1sww s ILE 6 Cb 0.00 -4.27 -0.22 0.00 -1.58 0.00 0.00 42.46 36.39 1sww s ILE 6 CO 0.00 -0.45 0.52 -0.62 -1.23 0.00 0.00 174.94 173.16 1sww n GLU 7 N 6.57 0.65 -3.78 2.79 1.02 0.25 -4.97 120.64 123.18 1sww n GLU 7 Ca 0.06 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1sww n GLU 7 Cb 0.48 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1sww n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sww s ALA 8 N -3.00 -0.51 -0.05 0.62 0.00 -0.98 -1.76 121.76 116.07 1sww s ALA 8 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1sww s ALA 8 Cb 0.10 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1sww s ALA 8 CO 0.84 -0.60 -0.04 0.08 0.00 0.00 0.00 175.76 176.05 1sww s VAL 9 N -3.85 0.51 -0.19 0.00 1.01 0.21 -0.93 120.40 117.16 1sww s VAL 9 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1sww s VAL 9 Cb 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1sww s VAL 9 CO -0.09 0.24 0.07 -0.63 0.00 0.00 0.00 175.10 174.69 1sww s ILE 10 N 1.16 4.82 0.09 2.22 -1.09 0.30 -1.10 121.20 127.60 1sww s ILE 10 Ca -0.07 -0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.41 1sww s ILE 10 Cb -0.14 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1sww s ILE 10 CO -0.01 0.44 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.62 1sww s PHE 11 N 0.53 2.62 0.68 3.97 0.40 -0.15 0.73 117.98 126.76 1sww s PHE 11 Ca 0.04 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1sww s PHE 11 Cb -0.13 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1sww s PHE 11 CO 0.01 0.37 1.06 0.00 0.70 0.00 0.00 175.22 177.35 1sww s ALA 12 N -1.11 2.98 0.00 5.36 0.00 -0.63 -2.26 121.76 126.11 1sww s ALA 12 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1sww s ALA 12 Cb -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1sww s ALA 12 CO 0.10 -1.06 0.00 0.91 0.00 0.00 0.00 175.76 175.71 1sww n TRP 13 N -2.92 0.00 -1.70 0.00 7.02 -1.24 -3.35 117.44 115.26 1sww n TRP 13 Ca 0.06 0.00 -0.55 0.00 -1.02 0.00 0.00 57.50 56.00 1sww n TRP 13 Cb 0.57 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.40 1sww n TRP 13 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sww n ALA 14 N -3.00 0.02 -0.01 6.99 0.00 -1.25 -0.54 120.51 122.72 1sww n ALA 14 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1sww n ALA 14 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1sww n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sww n GLY 15 N 4.10 1.43 1.15 0.00 0.00 0.18 -4.80 105.19 107.24 1sww n GLY 15 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1sww n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sww n THR 16 N -2.00 0.17 -0.10 2.61 -1.04 0.30 -3.80 114.28 110.42 1sww n THR 16 Ca 0.00 0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1sww n THR 16 Cb 0.00 -1.37 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 1sww n THR 16 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sww n THR 17 N -3.02 1.12 -4.26 12.58 -2.24 -0.05 -4.86 114.28 113.55 1sww n THR 17 Ca 0.00 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1sww n THR 17 Cb 0.36 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.34 1sww n THR 17 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1sww s VAL 18 N -2.39 0.64 -0.38 2.28 -7.23 -1.00 -1.24 120.40 111.09 1sww s VAL 18 Ca -0.25 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 57.83 1sww s VAL 18 Cb 0.07 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.78 1sww s VAL 18 CO 0.47 -0.36 0.37 -0.67 -0.31 0.00 0.00 175.10 174.59 1sww n ASP 19 N -0.29 -7.85 -4.70 4.85 2.03 -0.57 0.48 116.55 110.50 1sww n ASP 19 Ca -0.05 0.83 -0.42 0.00 0.52 0.00 0.00 54.79 55.67 1sww n ASP 19 Cb 0.64 -5.11 -0.03 0.00 -0.72 0.00 0.00 41.12 35.90 1sww n ASP 19 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1sww s TYR 20 N -2.16 2.33 0.00 -0.67 6.14 -1.26 -1.47 117.35 120.25 1sww s TYR 20 Ca 0.16 0.08 0.00 0.00 0.64 0.00 0.00 57.07 57.94 1sww s TYR 20 Cb -0.04 -4.16 0.00 0.00 0.42 0.00 0.00 41.96 38.18 1sww s TYR 20 CO 0.76 -4.69 0.00 0.41 0.64 0.00 0.00 175.55 172.67 1sww n GLY 21 N 4.17 2.58 3.25 8.97 0.00 0.17 -4.34 105.19 119.97 1sww n GLY 21 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1sww n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sww n PHE 23 N -2.14 0.00 -0.31 0.00 3.01 -1.26 -4.50 117.46 112.26 1sww n PHE 23 Ca -0.07 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.48 1sww n PHE 23 Cb 0.55 -0.32 0.22 0.00 -0.01 0.00 0.00 39.48 39.92 1sww n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sww h ALA 24 N 2.36 0.94 0.00 4.37 0.00 -1.92 -2.73 119.26 122.28 1sww h ALA 24 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1sww h ALA 24 Cb 0.82 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1sww h ALA 24 CO 0.00 -0.48 -1.75 -0.35 0.00 0.00 0.00 179.25 176.67 1sww n PRO 25 N -5.46 0.61 -0.08 0.00 -0.04 -1.26 -4.72 135.00 124.05 1sww n PRO 25 Ca 0.18 -0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1sww n PRO 25 Cb 0.61 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1sww n PRO 25 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sww n LEU 26 N -2.07 -0.20 0.18 1.53 7.94 -1.03 -0.10 117.00 123.25 1sww n LEU 26 Ca -0.03 0.93 0.14 0.00 -1.11 0.00 0.00 56.01 55.94 1sww n LEU 26 Cb 0.47 -0.34 0.62 0.00 0.53 0.00 0.00 43.42 44.70 1sww n LEU 26 CO 0.39 -0.57 0.90 -0.33 -1.11 0.00 0.00 177.39 176.68 1sww h GLU 27 N 0.00 0.00 0.05 1.96 5.08 -1.86 -2.70 114.58 117.11 1sww h GLU 27 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sww h GLU 27 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1sww h GLU 27 CO -0.18 0.00 -0.02 0.28 -1.00 0.00 0.00 179.01 178.09 1sww h VAL 28 N 0.00 1.32 -0.94 3.13 2.07 -0.79 0.23 116.25 121.27 1sww h VAL 28 Ca 0.00 -1.49 0.11 0.00 0.82 0.00 0.00 66.70 66.14 1sww h VAL 28 Cb 0.26 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1sww h VAL 28 CO 0.00 0.36 0.60 -0.26 0.02 0.00 0.00 177.57 178.29 1sww h PHE 29 N -0.76 1.03 -0.32 1.57 0.04 -1.01 -0.54 116.94 116.94 1sww h PHE 29 Ca -0.01 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1sww h PHE 29 Cb 0.64 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1sww h PHE 29 CO 0.14 0.44 -0.26 0.52 -0.60 0.00 0.00 178.31 178.55 1sww h MET 30 N 0.92 0.75 -0.41 1.51 2.86 -1.43 -3.07 114.93 116.05 1sww h MET 30 Ca 0.45 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1sww h MET 30 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1sww h MET 30 CO -0.21 0.99 0.19 1.49 1.06 0.00 0.00 176.91 180.42 1sww h GLU 31 N 0.51 0.59 0.00 1.72 4.57 0.66 -0.91 114.58 121.73 1sww h GLU 31 Ca 0.06 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1sww h GLU 31 Cb 0.83 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1sww h GLU 31 CO 0.07 0.53 -0.13 -0.84 -1.18 0.00 0.00 179.01 177.46 1sww h ILE 32 N 0.52 0.39 0.06 2.32 3.07 -1.18 -2.04 117.51 120.64 1sww h ILE 32 Ca 0.14 -0.73 -0.34 0.00 1.55 0.00 0.00 64.86 65.49 1sww h ILE 32 Cb 0.14 1.53 -0.04 0.00 -0.27 0.00 0.00 36.82 38.18 1sww h ILE 32 CO -0.02 0.12 -1.93 0.49 -1.05 0.00 0.00 178.15 175.77 1sww n PHE 33 N -3.37 0.99 -0.12 0.16 3.01 -1.11 -3.95 117.46 113.07 1sww n PHE 33 Ca -0.01 0.27 -0.06 0.00 1.01 0.00 0.00 57.45 58.67 1sww n PHE 33 Cb 0.32 -1.15 0.12 0.00 -0.01 0.00 0.00 39.48 38.76 1sww n PHE 33 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sww h HIS 34 N 0.03 0.90 -0.67 1.38 2.76 -1.06 -0.80 115.15 117.69 1sww h HIS 34 Ca -0.38 -0.15 0.07 0.00 -2.20 0.00 0.00 60.37 57.70 1sww h HIS 34 Cb 2.03 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 30.71 1sww h HIS 34 CO 0.04 0.85 0.44 0.87 -1.30 0.00 0.00 177.93 178.83 1sww h LYS 35 N 0.76 0.65 -0.00 5.26 1.57 -1.52 0.24 116.57 123.52 1sww h LYS 35 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1sww h LYS 35 Cb 0.53 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sww h LYS 35 CO 0.03 0.43 -0.01 0.54 -0.57 0.00 0.00 179.45 179.87 1sww n ARG 36 N -4.48 1.06 -0.89 3.15 5.12 -0.96 -4.89 116.66 114.77 1sww n ARG 36 Ca 0.10 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1sww n ARG 36 Cb 0.24 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1sww n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sww n GLY 37 N 1.06 0.55 2.86 -0.13 0.00 0.83 -4.99 105.19 105.37 1sww n GLY 37 Ca 0.22 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1sww n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sww s VAL 38 N -2.00 1.82 0.25 1.61 1.01 -0.34 -5.00 120.40 117.75 1sww s VAL 38 Ca 0.00 -2.46 -0.30 0.00 0.00 0.00 0.00 61.98 59.23 1sww s VAL 38 Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 1sww s VAL 38 CO 0.00 -0.75 1.24 0.00 0.00 0.00 0.00 175.10 175.59 1sww s ALA 39 N 0.59 3.47 -0.01 5.51 0.00 -1.26 -3.10 121.76 126.96 1sww s ALA 39 Ca 0.14 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.22 1sww s ALA 39 Cb -0.22 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1sww s ALA 39 CO -0.07 -0.44 -0.18 0.96 0.00 0.00 0.00 175.76 176.03 1sww s ILE 40 N -0.56 1.43 0.78 0.00 -4.36 -1.26 -5.00 121.20 112.23 1sww s ILE 40 Ca 0.51 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 1sww s ILE 40 Cb -0.35 -1.19 0.06 0.00 1.25 0.00 0.00 42.46 42.23 1sww s ILE 40 CO 0.42 0.40 1.09 0.42 0.24 0.00 0.00 174.94 177.52 1sww s THR 41 N -0.43 3.22 0.38 8.37 -4.23 -1.26 -4.87 115.64 116.82 1sww s THR 41 Ca 0.07 0.40 0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1sww s THR 41 Cb -0.07 -3.13 0.13 0.00 1.34 0.00 0.00 72.50 70.76 1sww s THR 41 CO -0.01 -0.52 1.87 0.00 -0.54 0.00 0.00 174.62 175.43 1sww h ALA 42 N -1.03 1.45 -0.42 3.99 0.00 -1.98 -1.37 119.26 119.89 1sww h ALA 42 Ca -0.46 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 1sww h ALA 42 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1sww h ALA 42 CO 0.59 0.40 -0.23 0.93 0.00 0.00 0.00 179.25 180.93 1sww h GLU 43 N 0.11 0.90 -0.26 0.00 3.07 -1.98 -1.98 114.58 114.43 1sww h GLU 43 Ca 0.02 -0.41 -0.05 0.00 -0.50 0.00 0.00 59.36 58.43 1sww h GLU 43 Cb 0.51 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1sww h GLU 43 CO 0.04 1.06 -0.01 0.93 -1.40 0.00 0.00 179.01 179.62 1sww h GLU 44 N 0.73 0.48 0.00 2.33 5.08 -1.83 -1.31 114.58 120.05 1sww h GLU 44 Ca 0.09 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1sww h GLU 44 Cb 0.80 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1sww h GLU 44 CO 0.07 0.65 -0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1sww h ALA 45 N 0.81 1.90 0.00 3.43 0.00 -1.19 -2.80 119.26 121.41 1sww h ALA 45 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sww h ALA 45 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sww h ALA 45 CO 0.02 0.00 -1.21 0.54 0.00 0.00 0.00 179.25 178.60 1sww n ARG 46 N -4.40 0.62 -0.19 0.00 1.74 -0.75 -4.52 116.66 109.16 1sww n ARG 46 Ca -0.03 0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 57.12 1sww n ARG 46 Cb 0.09 -1.78 0.06 0.00 -1.02 0.00 0.00 32.46 29.81 1sww n ARG 46 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1sww h LYS 47 N 0.00 0.02 -0.66 5.56 3.64 -0.96 -1.15 116.57 123.01 1sww h LYS 47 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sww h LYS 47 Cb 1.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1sww h LYS 47 CO 0.00 0.01 0.00 -0.35 -2.27 0.00 0.00 179.45 176.85 1sww n PRO 48 N -5.37 2.87 -1.68 1.90 -0.04 -1.26 -4.79 135.00 126.63 1sww n PRO 48 Ca 0.06 -1.73 -0.46 0.00 -0.04 0.00 0.00 63.50 61.34 1sww n PRO 48 Cb 0.30 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 1sww n PRO 48 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1sww n MET 49 N 0.47 2.25 0.00 0.54 1.56 -0.44 -2.77 117.12 118.74 1sww n MET 49 Ca 0.15 0.81 0.00 0.00 -0.27 0.00 0.00 57.70 58.40 1sww n MET 49 Cb 0.67 -2.61 0.00 0.00 2.15 0.00 0.00 33.22 33.42 1sww n MET 49 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sww n GLY 50 N 3.68 3.46 3.68 -5.12 0.00 -1.26 -4.40 105.19 105.24 1sww n GLY 50 Ca 0.18 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1sww n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sww s LEU 51 N 0.00 2.93 0.22 0.99 1.43 -1.11 -3.46 118.68 119.69 1sww s LEU 51 Ca 0.00 2.25 -0.32 0.00 -1.03 0.00 0.00 54.13 55.03 1sww s LEU 51 Cb 0.00 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.51 1sww s LEU 51 CO 0.00 -2.99 1.40 -0.11 0.23 0.00 0.00 176.35 174.88 1sww n LEU 52 N -3.97 2.96 -0.33 1.79 7.94 -1.25 -4.57 117.00 119.55 1sww n LEU 52 Ca 0.12 1.14 0.04 0.00 -1.11 0.00 0.00 56.01 56.19 1sww n LEU 52 Cb 0.52 -1.41 0.10 0.00 0.53 0.00 0.00 43.42 43.16 1sww n LEU 52 CO 0.49 -0.54 0.58 0.29 -1.11 0.00 0.00 177.39 177.10 1sww n LYS 53 N 2.16 -0.12 -0.28 1.96 4.01 -0.23 0.44 118.16 126.09 1sww n LYS 53 Ca 0.12 1.41 -0.03 0.00 -0.51 0.00 0.00 58.31 59.31 1sww n LYS 53 Cb 0.30 -2.10 0.13 0.00 -0.51 0.00 0.00 35.03 32.85 1sww n LYS 53 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 1sww h ILE 54 N 0.00 1.24 -0.11 -0.18 6.09 -1.87 -1.74 117.51 120.93 1sww h ILE 54 Ca 0.40 -0.63 -0.08 0.00 -1.37 0.00 0.00 64.86 63.19 1sww h ILE 54 Cb 0.63 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1sww h ILE 54 CO -0.93 0.28 -0.28 0.44 -3.07 0.00 0.00 178.15 174.59 1sww h ASP 55 N 1.15 0.20 -0.38 2.19 3.32 -0.34 -2.49 116.42 120.07 1sww h ASP 55 Ca 0.29 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1sww h ASP 55 Cb 0.05 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1sww h ASP 55 CO -0.04 0.49 0.13 -0.74 -1.72 0.00 0.00 179.24 177.36 1sww h HIS 56 N 0.18 0.60 -0.56 4.55 2.76 0.05 0.97 115.15 123.70 1sww h HIS 56 Ca 0.03 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1sww h HIS 56 Cb 0.60 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 1sww h HIS 56 CO 0.01 0.56 0.20 0.28 -1.30 0.00 0.00 177.93 177.68 1sww h VAL 57 N 0.47 1.23 -0.25 5.26 2.07 -1.16 -1.18 116.25 122.69 1sww h VAL 57 Ca 0.12 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1sww h VAL 57 Cb 0.23 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1sww h VAL 57 CO -0.01 0.29 -0.09 -0.09 0.02 0.00 0.00 177.57 177.69 1sww h ARG 58 N 0.78 0.40 -0.38 1.57 2.43 -1.18 -2.01 114.38 115.99 1sww h ARG 58 Ca 0.18 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1sww h ARG 58 Cb 0.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1sww h ARG 58 CO -0.01 0.50 -0.28 0.00 -1.51 0.00 0.00 179.97 178.67 1sww h ALA 59 N 1.53 0.80 -0.43 2.80 0.00 -0.21 -2.29 119.26 121.47 1sww h ALA 59 Ca 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1sww h ALA 59 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sww h ALA 59 CO 0.02 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.99 1sww h LEU 60 N 0.68 0.62 -0.09 0.00 3.38 -0.62 -1.34 115.31 117.95 1sww h LEU 60 Ca 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sww h LEU 60 Cb 0.81 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1sww h LEU 60 CO 0.07 0.66 0.00 0.35 0.09 0.00 0.00 178.44 179.61 1sww n THR 61 N -4.57 0.94 -0.00 0.22 -2.24 -0.81 -2.17 114.28 105.64 1sww n THR 61 Ca 0.00 0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1sww n THR 61 Cb 0.18 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.27 1sww n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sww h GLU 62 N 0.00 0.07 -6.35 -0.78 4.57 -0.68 -3.39 114.58 108.02 1sww h GLU 62 Ca 0.00 -0.12 -0.56 0.00 -1.18 0.00 0.00 59.36 57.50 1sww h GLU 62 Cb 0.28 0.05 0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1sww h GLU 62 CO 0.00 0.72 1.18 -1.33 -1.18 0.00 0.00 179.01 178.40 1sww n MET 63 N -3.18 2.66 -0.33 1.92 2.81 -0.68 -4.80 117.12 115.51 1sww n MET 63 Ca -0.18 0.97 0.06 0.00 -1.81 0.00 0.00 57.70 56.74 1sww n MET 63 Cb 1.04 -2.89 0.13 0.00 -0.71 0.00 0.00 33.22 30.79 1sww n MET 63 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1sww n PRO 64 N 7.02 -0.08 0.07 0.03 -0.02 -1.26 -0.25 135.00 140.50 1sww n PRO 64 Ca 0.21 1.44 -0.13 0.00 -2.02 0.00 0.00 63.50 63.00 1sww n PRO 64 Cb 0.37 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1sww n PRO 64 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1sww h ARG 65 N 0.00 -0.11 -0.63 -0.52 1.12 -1.94 0.10 114.38 112.40 1sww h ARG 65 Ca 0.45 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.24 1sww h ARG 65 Cb 0.68 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.64 1sww h ARG 65 CO -0.95 0.03 0.08 0.82 -3.11 0.00 0.00 179.97 176.84 1sww h ILE 66 N -0.22 1.26 -0.68 1.20 2.04 -1.45 -2.24 117.51 117.42 1sww h ILE 66 Ca -0.01 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 1sww h ILE 66 Cb 0.18 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1sww h ILE 66 CO 0.02 0.39 0.14 0.00 0.00 0.00 0.00 178.15 178.70 1sww h ALA 67 N 1.02 0.90 -0.31 1.87 0.00 -0.50 -2.12 119.26 120.12 1sww h ALA 67 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sww h ALA 67 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sww h ALA 67 CO 0.02 0.64 0.18 0.77 0.00 0.00 0.00 179.25 180.86 1sww h SER 68 N 1.03 0.30 -0.46 0.00 0.02 -0.50 -1.57 113.55 112.38 1sww h SER 68 Ca 0.21 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1sww h SER 68 Cb 0.40 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1sww h SER 68 CO 0.01 0.22 0.13 -0.08 -1.14 0.00 0.00 176.83 175.96 1sww h GLU 69 N 0.38 0.72 -0.85 3.45 4.57 -1.26 -1.75 114.58 119.83 1sww h GLU 69 Ca 0.12 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1sww h GLU 69 Cb -0.00 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1sww h GLU 69 CO -0.05 0.71 0.56 2.35 -1.18 0.00 0.00 179.01 181.40 1sww h TRP 70 N 0.61 1.06 -0.12 0.92 2.91 -1.16 0.16 115.95 120.33 1sww h TRP 70 Ca 0.15 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.08 1sww h TRP 70 Cb 0.30 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1sww h TRP 70 CO 0.02 0.65 -0.41 -0.97 -1.03 0.00 0.00 178.44 176.70 1sww h ASN 71 N 1.12 0.27 0.06 2.65 -1.24 -0.99 0.98 115.58 118.43 1sww h ASN 71 Ca 0.32 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1sww h ASN 71 Cb -0.07 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1sww h ASN 71 CO -0.08 0.65 -0.03 -0.09 -1.29 0.00 0.00 177.43 176.59 1sww h ARG 72 N 0.22 -0.08 0.20 6.67 2.43 -0.29 -0.15 114.38 123.36 1sww h ARG 72 Ca 0.02 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sww h ARG 72 Cb 0.82 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1sww h ARG 72 CO 0.06 0.31 -0.10 0.28 -1.51 0.00 0.00 179.97 179.02 1sww h VAL 73 N -0.50 0.87 -0.01 0.20 2.07 -0.95 -3.35 116.25 114.59 1sww h VAL 73 Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1sww h VAL 73 Cb 0.43 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1sww h VAL 73 CO 0.01 0.18 -0.41 0.49 0.02 0.00 0.00 177.57 177.86 1sww n PHE 74 N -5.01 0.00 -1.40 1.57 3.72 0.33 -4.96 117.46 111.71 1sww n PHE 74 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 1sww n PHE 74 Cb 0.26 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 1sww n PHE 74 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1sww n ARG 75 N -0.65 -1.15 -3.55 -1.08 1.74 -0.07 -4.94 116.66 106.96 1sww n ARG 75 Ca 0.10 0.97 -0.11 0.00 -0.77 0.00 0.00 57.85 58.04 1sww n ARG 75 Cb 0.38 -5.13 -0.02 0.00 -1.02 0.00 0.00 32.46 26.67 1sww n ARG 75 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1sww s GLN 76 N -3.10 1.39 0.36 5.56 -2.07 -1.25 -5.02 119.66 115.53 1sww s GLN 76 Ca 0.00 -0.62 -0.09 0.00 -1.82 0.00 0.00 55.36 52.83 1sww s GLN 76 Cb 0.00 0.58 -0.06 0.00 -1.09 0.00 0.00 33.01 32.44 1sww s GLN 76 CO 0.00 -0.61 0.70 -0.51 -1.32 0.00 0.00 175.29 173.55 1sww s LEU 77 N -2.80 3.92 0.09 2.60 1.43 -1.26 -3.63 118.68 119.03 1sww s LEU 77 Ca 0.04 1.02 -0.36 0.00 -1.03 0.00 0.00 54.13 53.79 1sww s LEU 77 Cb -0.02 -3.87 -0.16 0.00 0.03 0.00 0.00 46.19 42.17 1sww s LEU 77 CO -0.08 -0.32 1.38 -2.65 0.23 0.00 0.00 176.35 174.91 1sww n PRO 78 N -1.08 1.28 -2.76 1.29 -0.02 -1.26 -4.97 135.00 127.47 1sww n PRO 78 Ca 0.01 0.46 -0.28 0.00 -2.02 0.00 0.00 63.50 61.68 1sww n PRO 78 Cb 0.54 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1sww n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sww s THR 79 N 0.59 4.91 0.48 3.45 2.01 -1.26 -4.93 115.64 120.89 1sww s THR 79 Ca 0.84 0.21 0.14 0.00 0.31 0.00 0.00 61.69 63.19 1sww s THR 79 Cb -0.92 -3.84 0.29 0.00 0.01 0.00 0.00 72.50 68.04 1sww s THR 79 CO 0.46 -0.75 2.09 -0.33 -0.69 0.00 0.00 174.62 175.40 1sww h GLU 80 N 0.51 0.20 -0.58 4.92 4.39 -1.99 0.25 114.58 122.29 1sww h GLU 80 Ca -0.47 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 1sww h GLU 80 Cb 1.20 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1sww h GLU 80 CO 0.62 0.13 0.03 0.00 -1.16 0.00 0.00 179.01 178.63 1sww h ALA 81 N 1.87 0.77 0.11 3.43 0.00 -1.97 0.33 119.26 123.80 1sww h ALA 81 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sww h ALA 81 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sww h ALA 81 CO -0.02 0.59 -0.05 -0.44 0.00 0.00 0.00 179.25 179.32 1sww h ASP 82 N 0.89 -0.13 -0.67 0.00 3.32 -1.38 0.64 116.42 119.09 1sww h ASP 82 Ca 0.17 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1sww h ASP 82 Cb 0.51 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1sww h ASP 82 CO 0.02 -0.00 0.42 0.40 -1.72 0.00 0.00 179.24 178.37 1sww h ILE 83 N -0.24 1.18 -0.70 0.35 2.04 -1.01 0.39 117.51 119.52 1sww h ILE 83 Ca -0.02 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1sww h ILE 83 Cb 0.20 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1sww h ILE 83 CO 0.03 0.18 0.19 -0.61 0.00 0.00 0.00 178.15 177.94 1sww h GLN 84 N 0.91 1.11 -0.20 2.37 5.75 -0.08 0.37 115.11 125.33 1sww h GLN 84 Ca 0.24 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1sww h GLN 84 Cb -0.07 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 1sww h GLN 84 CO -0.05 0.97 -0.06 1.49 -2.65 0.00 0.00 178.83 178.53 1sww h GLU 85 N 1.05 0.40 -0.78 1.69 4.81 0.86 -2.24 114.58 120.36 1sww h GLU 85 Ca 0.22 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1sww h GLU 85 Cb 0.34 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1sww h GLU 85 CO -0.00 0.66 0.30 0.52 -0.73 0.00 0.00 179.01 179.76 1sww h MET 86 N 0.11 1.18 -0.08 1.92 2.86 -0.05 -2.31 114.93 118.57 1sww h MET 86 Ca 0.05 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1sww h MET 86 Cb 0.52 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1sww h MET 86 CO 0.02 0.96 -0.23 -0.92 1.06 0.00 0.00 176.91 177.80 1sww h TYR 87 N 1.15 0.15 -0.42 -0.22 3.20 -0.83 0.27 116.97 120.26 1sww h TYR 87 Ca 0.26 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1sww h TYR 87 Cb 0.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1sww h TYR 87 CO 0.02 0.36 -0.17 0.93 -1.64 0.00 0.00 178.16 177.67 1sww h GLU 88 N 0.13 0.79 -0.08 1.82 5.08 -0.87 -1.43 114.58 120.02 1sww h GLU 88 Ca 0.02 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 1sww h GLU 88 Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1sww h GLU 88 CO 0.03 0.91 -0.70 0.93 -1.00 0.00 0.00 179.01 179.18 1sww h GLU 89 N 0.70 0.37 -0.43 2.33 5.08 -0.90 -2.40 114.58 119.33 1sww h GLU 89 Ca 0.11 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1sww h GLU 89 Cb 0.67 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1sww h GLU 89 CO 0.05 0.93 0.27 0.35 -1.00 0.00 0.00 179.01 179.61 1sww h PHE 90 N 0.26 0.56 -0.01 4.33 3.57 -0.10 -2.46 116.94 123.09 1sww h PHE 90 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1sww h PHE 90 Cb 1.27 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1sww h PHE 90 CO 0.04 0.38 -0.00 0.93 -2.23 0.00 0.00 178.31 177.43 1sww h GLU 91 N 0.58 0.02 -0.98 1.11 5.08 -1.22 0.50 114.58 119.68 1sww h GLU 91 Ca 0.16 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.69 1sww h GLU 91 Cb -0.03 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 1sww h GLU 91 CO -0.03 0.33 0.58 0.93 -1.00 0.00 0.00 179.01 179.82 1sww h GLU 92 N -0.29 0.73 0.01 2.33 5.08 -1.35 0.93 114.58 122.03 1sww h GLU 92 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sww h GLU 92 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1sww h GLU 92 CO 0.00 0.48 -0.01 0.82 -1.00 0.00 0.00 179.01 179.31 1sww h ILE 93 N 0.75 1.37 -0.76 3.13 2.04 -1.41 -3.31 117.51 119.33 1sww h ILE 93 Ca 0.56 -1.93 0.10 0.00 1.00 0.00 0.00 64.86 64.59 1sww h ILE 93 Cb 0.84 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 1sww h ILE 93 CO -0.38 0.45 0.39 0.25 0.00 0.00 0.00 178.15 178.87 1sww h LEU 94 N -0.96 0.52 -0.72 1.44 7.12 -0.54 -2.60 115.31 119.58 1sww h LEU 94 Ca -0.00 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1sww h LEU 94 Cb 0.75 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.82 1sww h LEU 94 CO 0.00 0.29 0.43 -0.26 -0.13 0.00 0.00 178.44 178.77 1sww h PHE 95 N 0.65 0.96 -0.17 1.25 0.04 -0.97 -0.06 116.94 118.64 1sww h PHE 95 Ca 0.38 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.19 1sww h PHE 95 Cb 0.41 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1sww h PHE 95 CO -0.09 0.65 0.12 0.00 -0.60 0.00 0.00 178.31 178.39 1sww h ALA 96 N 1.22 2.14 -0.03 2.45 0.00 -1.55 -3.00 119.26 120.49 1sww h ALA 96 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sww h ALA 96 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sww h ALA 96 CO -0.05 -0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.46 1sww n ILE 97 N -4.49 0.38 -0.15 0.00 -6.64 -1.09 -4.78 119.36 102.59 1sww n ILE 97 Ca 0.01 -0.69 -0.03 0.00 -1.77 0.00 0.00 62.75 60.27 1sww n ILE 97 Cb 0.24 0.84 0.05 0.00 -1.44 0.00 0.00 39.64 39.33 1sww n ILE 97 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 1sww h LEU 98 N 0.46 -0.19 -1.17 7.28 5.85 -0.86 -2.51 115.31 124.17 1sww h LEU 98 Ca 0.00 0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.05 1sww h LEU 98 Cb 0.27 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 1sww h LEU 98 CO 0.00 -0.06 0.62 -0.65 -0.34 0.00 0.00 178.44 178.01 1sww h PRO 99 N 0.12 0.57 0.00 5.25 0.11 -1.86 -0.22 132.00 135.96 1sww h PRO 99 Ca 0.23 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1sww h PRO 99 Cb 0.34 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1sww h PRO 99 CO -0.39 0.38 -0.19 0.00 -0.21 0.00 0.00 178.00 177.59 1sww h ARG 100 N 0.59 0.00 -2.85 1.05 3.08 -1.81 -3.30 114.38 111.14 1sww h ARG 100 Ca 0.58 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.93 1sww h ARG 100 Cb 1.15 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.84 1sww h ARG 100 CO -0.35 0.19 -0.04 0.66 -1.07 0.00 0.00 179.97 179.36 1sww n TYR 101 N -3.86 3.52 -2.02 3.04 4.01 -0.09 -4.58 117.16 117.17 1sww n TYR 101 Ca -0.02 -3.75 -0.06 0.00 -0.16 0.00 0.00 57.90 53.91 1sww n TYR 101 Cb 0.28 -0.97 -0.06 0.00 -0.31 0.00 0.00 39.34 38.28 1sww n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sww n ALA 102 N 1.57 3.61 -2.84 -0.72 0.00 -1.24 -4.77 120.51 116.12 1sww n ALA 102 Ca 0.25 -0.74 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 1sww n ALA 102 Cb 0.37 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 1sww n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1sww s SER 103 N -1.00 5.57 0.42 0.00 0.01 -1.26 -3.38 113.70 114.06 1sww s SER 103 Ca 0.02 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 1sww s SER 103 Cb 0.02 -1.97 -0.11 0.00 0.21 0.00 0.00 66.02 64.17 1sww s SER 103 CO -0.01 0.11 0.89 -2.65 0.41 0.00 0.00 173.24 171.99 1sww n PRO 104 N 3.97 1.13 -2.69 12.44 -0.02 -1.26 -1.50 135.00 147.06 1sww n PRO 104 Ca -0.16 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1sww n PRO 104 Cb 0.52 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1sww n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sww s ILE 105 N -1.32 4.52 0.00 4.25 1.01 -0.37 -4.83 121.20 124.47 1sww s ILE 105 Ca 0.64 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.29 1sww s ILE 105 Cb -0.57 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.61 1sww s ILE 105 CO 0.57 0.26 0.00 0.59 0.00 0.00 0.00 174.94 176.36 1sww n ASN 106 N 3.10 0.00 -1.64 3.58 3.02 -1.26 -1.58 115.26 120.48 1sww n ASN 106 Ca 0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1sww n ASN 106 Cb 0.49 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.95 1sww n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sww n GLY 107 N -0.12 3.88 0.12 7.41 0.00 -1.26 -4.63 105.19 110.59 1sww n GLY 107 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1sww n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sww h VAL 108 N 2.33 1.40 -0.97 1.61 2.07 -1.66 -3.25 116.25 117.78 1sww h VAL 108 Ca 0.19 -1.47 0.20 0.00 0.82 0.00 0.00 66.70 66.44 1sww h VAL 108 Cb 2.04 2.14 -0.09 0.00 -1.52 0.00 0.00 31.29 33.86 1sww h VAL 108 CO 0.57 0.42 0.61 0.11 0.02 0.00 0.00 177.57 179.30 1sww h LYS 109 N -0.18 0.60 -0.08 1.57 1.57 -1.82 -0.31 116.57 117.92 1sww h LYS 109 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sww h LYS 109 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1sww h LYS 109 CO 0.04 0.40 -0.02 0.93 -0.57 0.00 0.00 179.45 180.23 1sww h GLU 110 N 0.62 0.00 -0.63 3.15 4.39 -1.89 0.50 114.58 120.72 1sww h GLU 110 Ca 0.54 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.17 1sww h GLU 110 Cb 1.03 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1sww h GLU 110 CO -0.30 0.00 0.12 0.28 -1.16 0.00 0.00 179.01 177.96 1sww h VAL 111 N 0.00 1.26 0.17 3.13 2.07 -1.35 -1.39 116.25 120.14 1sww h VAL 111 Ca 0.04 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1sww h VAL 111 Cb 0.05 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1sww h VAL 111 CO -0.08 0.37 -0.31 0.40 0.02 0.00 0.00 177.57 177.97 1sww h ILE 112 N 0.96 0.34 -0.54 4.57 1.08 -0.58 -0.26 117.51 123.07 1sww h ILE 112 Ca 0.19 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.62 1sww h ILE 112 Cb 0.41 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1sww h ILE 112 CO 0.01 0.00 0.16 0.00 -0.69 0.00 0.00 178.15 177.63 1sww h ALA 113 N 0.07 1.26 -0.23 1.87 0.00 -0.85 -1.72 119.26 119.65 1sww h ALA 113 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1sww h ALA 113 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sww h ALA 113 CO -0.15 0.52 0.02 1.03 0.00 0.00 0.00 179.25 180.67 1sww h SER 114 N 0.79 0.31 -0.08 0.00 0.87 -0.79 -1.77 113.55 112.87 1sww h SER 114 Ca 0.18 -0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.49 1sww h SER 114 Cb 0.25 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1sww h SER 114 CO -0.01 0.35 -0.78 -0.07 -0.53 0.00 0.00 176.83 175.79 1sww h LEU 115 N 0.34 0.83 -1.58 2.23 3.38 -0.24 -3.10 115.31 117.17 1sww h LEU 115 Ca 0.08 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1sww h LEU 115 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sww h LEU 115 CO 0.00 1.38 -0.21 0.03 0.09 0.00 0.00 178.44 179.73 1sww h ARG 116 N 0.35 0.00 -0.03 1.13 3.08 -0.94 -1.54 114.38 116.42 1sww h ARG 116 Ca -0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1sww h ARG 116 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1sww h ARG 116 CO 0.16 0.21 -0.40 0.93 -1.07 0.00 0.00 179.97 179.80 1sww h GLU 117 N 0.00 0.07 -0.85 0.04 5.08 -1.31 -2.41 114.58 115.21 1sww h GLU 117 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1sww h GLU 117 Cb 0.37 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1sww h GLU 117 CO 0.03 0.46 0.05 0.54 -1.00 0.00 0.00 179.01 179.09 1sww n ARG 118 N -4.05 2.55 -3.51 2.33 1.74 -0.65 -4.89 116.66 110.18 1sww n ARG 118 Ca -0.02 -1.41 -0.24 0.00 -0.77 0.00 0.00 57.85 55.41 1sww n ARG 118 Cb 0.44 -1.79 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1sww n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sww n GLY 119 N 0.19 -0.54 3.73 -0.13 0.00 -0.91 -4.99 105.19 102.54 1sww n GLY 119 Ca 0.15 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 1sww n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sww s ILE 120 N -3.28 5.13 0.26 -0.61 1.01 -0.76 -4.96 121.20 117.98 1sww s ILE 120 Ca 0.54 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1sww s ILE 120 Cb -0.24 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 1sww s ILE 120 CO 0.66 0.51 1.00 -0.54 0.00 0.00 0.00 174.94 176.57 1sww s LYS 121 N -0.10 4.78 -0.26 2.79 -0.14 -0.72 -4.37 119.74 121.72 1sww s LYS 121 Ca 0.09 1.60 0.01 0.00 -1.36 0.00 0.00 55.97 56.31 1sww s LYS 121 Cb -0.12 -3.24 0.05 0.00 -1.68 0.00 0.00 37.83 32.84 1sww s LYS 121 CO 0.01 0.41 -0.10 0.42 -0.76 0.00 0.00 175.35 175.32 1sww s ILE 122 N -1.18 2.37 0.40 2.17 -1.09 -1.26 -0.62 121.20 121.99 1sww s ILE 122 Ca 0.42 -1.44 0.08 0.00 -2.23 0.00 0.00 60.65 57.47 1sww s ILE 122 Cb -0.28 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 1sww s ILE 122 CO 0.35 0.05 0.16 -0.83 -1.23 0.00 0.00 174.94 173.44 1sww s GLY 123 N 1.17 2.29 -0.09 6.18 0.00 -0.26 -0.48 107.32 116.13 1sww s GLY 123 Ca -0.06 -2.08 -0.16 0.00 0.00 0.00 0.00 44.72 42.42 1sww s GLY 123 CO -0.05 -1.91 0.41 -1.35 0.00 0.00 0.00 173.10 170.20 1sww s SER 124 N -3.88 -0.37 0.23 1.64 1.04 -0.56 -0.98 113.70 110.83 1sww s SER 124 Ca 0.40 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.45 1sww s SER 124 Cb 0.03 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 1sww s SER 124 CO 0.22 -0.31 -0.12 0.42 0.98 0.00 0.00 173.24 174.44 1sww s THR 125 N -0.52 1.72 0.30 2.02 -4.23 -0.96 -0.65 115.64 113.33 1sww s THR 125 Ca -0.06 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.15 1sww s THR 125 Cb -0.04 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1sww s THR 125 CO 0.03 -0.49 0.55 0.28 -0.54 0.00 0.00 174.62 174.46 1sww s THR 126 N -2.98 0.00 -0.33 3.99 -1.32 -1.16 -3.63 115.64 110.21 1sww s THR 126 Ca 0.25 -1.35 0.11 0.00 -1.21 0.00 0.00 61.69 59.49 1sww s THR 126 Cb 0.01 -2.43 -0.14 0.00 -1.51 0.00 0.00 72.50 68.43 1sww s THR 126 CO 0.09 0.00 0.38 0.61 -2.21 0.00 0.00 174.62 173.49 1sww n GLY 127 N -0.47 -0.20 3.80 6.08 0.00 -1.22 -4.38 105.19 108.80 1sww n GLY 127 Ca -0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1sww n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sww s TYR 128 N -2.29 3.06 0.87 1.61 2.02 -1.26 -1.07 117.35 120.29 1sww s TYR 128 Ca 0.01 1.59 -0.12 0.00 -0.37 0.00 0.00 57.07 58.18 1sww s TYR 128 Cb 0.08 -3.05 0.11 0.00 -0.40 0.00 0.00 41.96 38.70 1sww s TYR 128 CO 0.45 -0.74 1.11 0.95 -1.57 0.00 0.00 175.55 175.75 1sww s THR 129 N -1.96 2.54 0.10 -0.71 -4.23 -1.26 -4.45 115.64 105.67 1sww s THR 129 Ca 0.66 0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 61.11 1sww s THR 129 Cb -0.16 -2.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.71 1sww s THR 129 CO 0.20 -0.23 1.71 -0.09 -0.54 0.00 0.00 174.62 175.67 1sww h ARG 130 N -1.38 -0.15 -0.89 3.99 2.43 -1.96 0.46 114.38 116.87 1sww h ARG 130 Ca -0.49 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.80 1sww h ARG 130 Cb 1.30 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1sww h ARG 130 CO 0.59 -0.10 0.52 1.49 -1.51 0.00 0.00 179.97 180.96 1sww h GLU 131 N -0.16 0.81 -0.42 0.20 4.81 -2.01 0.11 114.58 117.93 1sww h GLU 131 Ca 0.02 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1sww h GLU 131 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1sww h GLU 131 CO -0.06 0.54 -0.12 1.98 -0.73 0.00 0.00 179.01 180.62 1sww h MET 132 N 0.84 0.83 -0.12 1.92 4.05 -1.73 -3.10 114.93 117.61 1sww h MET 132 Ca 0.44 -0.33 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1sww h MET 132 Cb 0.45 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1sww h MET 132 CO -0.27 0.96 -0.26 0.52 0.23 0.00 0.00 176.91 178.08 1sww h MET 133 N 0.65 0.22 -0.74 0.39 2.86 0.11 -2.92 114.93 115.50 1sww h MET 133 Ca 0.11 -0.07 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1sww h MET 133 Cb 0.66 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 1sww h MET 133 CO 0.05 0.48 0.27 -0.44 1.06 0.00 0.00 176.91 178.32 1sww h ASP 134 N 0.20 0.22 -0.07 1.22 3.32 -0.94 1.08 116.42 121.45 1sww h ASP 134 Ca 0.03 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1sww h ASP 134 Cb 0.58 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1sww h ASP 134 CO 0.04 0.07 -0.01 0.40 -1.72 0.00 0.00 179.24 178.02 1sww h ILE 135 N 0.40 1.27 -0.42 0.35 2.04 -1.63 -2.14 117.51 117.39 1sww h ILE 135 Ca 0.41 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1sww h ILE 135 Cb 0.64 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1sww h ILE 135 CO -0.42 0.24 0.02 0.58 0.00 0.00 0.00 178.15 178.56 1sww h VAL 136 N -0.17 1.26 -0.42 1.67 2.07 -1.15 -2.41 116.25 117.08 1sww h VAL 136 Ca 0.02 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1sww h VAL 136 Cb 0.37 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1sww h VAL 136 CO 0.01 0.34 0.11 0.00 0.02 0.00 0.00 177.57 178.04 1sww h ALA 137 N 0.90 0.56 -0.13 1.67 0.00 0.11 0.26 119.26 122.63 1sww h ALA 137 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sww h ALA 137 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sww h ALA 137 CO 0.02 0.23 0.06 -0.22 0.00 0.00 0.00 179.25 179.34 1sww h LYS 138 N 0.54 0.19 -0.47 0.00 3.64 -1.39 -0.93 116.57 118.16 1sww h LYS 138 Ca 0.13 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1sww h LYS 138 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1sww h LYS 138 CO 0.00 0.24 -0.25 1.49 -2.27 0.00 0.00 179.45 178.67 1sww h GLU 139 N 0.08 1.00 -0.61 1.90 4.57 -1.37 -2.78 114.58 117.36 1sww h GLU 139 Ca 0.04 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 57.73 1sww h GLU 139 Cb 0.12 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1sww h GLU 139 CO -0.01 1.12 0.20 0.00 -1.18 0.00 0.00 179.01 179.15 1sww h ALA 140 N 0.85 0.80 0.00 2.92 0.00 -0.40 -2.26 119.26 121.18 1sww h ALA 140 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1sww h ALA 140 Cb 0.83 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sww h ALA 140 CO 0.07 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1sww h ALA 141 N 1.07 1.48 0.00 0.00 0.00 -0.80 -1.47 119.26 119.54 1sww h ALA 141 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sww h ALA 141 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sww h ALA 141 CO -0.01 0.10 -0.30 -0.07 0.00 0.00 0.00 179.25 178.97 1sww h LEU 142 N 0.00 0.00 -3.60 0.00 3.38 -1.13 -3.18 115.31 110.78 1sww h LEU 142 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1sww h LEU 142 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1sww h LEU 142 CO 0.01 0.30 0.06 0.00 0.09 0.00 0.00 178.44 178.89 1sww n GLN 143 N -3.39 4.59 -0.00 1.13 6.02 -0.57 -4.93 117.38 120.22 1sww n GLN 143 Ca 0.00 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 1sww n GLN 143 Cb 0.50 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1sww n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sww n GLY 144 N 0.40 0.10 3.43 1.08 0.00 -1.20 -4.82 105.19 104.18 1sww n GLY 144 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1sww n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sww s TYR 145 N -2.02 2.96 -0.29 1.61 5.04 -1.12 -5.00 117.35 118.53 1sww s TYR 145 Ca 0.00 -0.49 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 1sww s TYR 145 Cb 0.00 -1.97 0.20 0.00 0.35 0.00 0.00 41.96 40.54 1sww s TYR 145 CO 0.00 -0.18 0.65 0.21 -1.34 0.00 0.00 175.55 174.89 1sww s LYS 146 N 0.60 0.50 0.82 4.97 2.20 -1.26 -2.40 119.74 125.17 1sww s LYS 146 Ca -0.04 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.99 1sww s LYS 146 Cb -0.15 0.25 0.08 0.00 -1.51 0.00 0.00 37.83 36.50 1sww s LYS 146 CO 0.03 -0.92 1.09 -1.25 -0.36 0.00 0.00 175.35 173.94 1sww s PRO 147 N 2.85 1.91 0.49 4.03 0.04 -1.26 -4.95 135.00 138.12 1sww s PRO 147 Ca 0.13 0.94 0.14 0.00 0.04 0.00 0.00 61.00 62.25 1sww s PRO 147 Cb -0.09 -1.87 1.16 0.00 0.04 0.00 0.00 34.50 33.73 1sww s PRO 147 CO -0.25 -1.82 2.11 -0.44 0.04 0.00 0.00 177.00 176.64 1sww h ASP 148 N -1.25 0.13 -5.01 6.66 3.32 -1.15 -3.44 116.42 115.69 1sww h ASP 148 Ca -0.46 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1sww h ASP 148 Cb 1.25 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1sww h ASP 148 CO 0.54 0.10 0.09 0.12 -1.72 0.00 0.00 179.24 178.37 1sww s PHE 149 N -5.19 -0.51 -0.01 4.55 5.36 -1.07 -5.03 117.98 116.08 1sww s PHE 149 Ca -0.06 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 1sww s PHE 149 Cb 0.17 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.23 1sww s PHE 149 CO 0.69 -0.62 -0.01 -0.48 -1.46 0.00 0.00 175.22 173.34 1sww s LEU 150 N -1.64 1.74 0.03 6.12 0.05 -1.26 -1.49 118.68 122.23 1sww s LEU 150 Ca -0.08 -0.02 0.07 0.00 0.05 0.00 0.00 54.13 54.14 1sww s LEU 150 Cb -0.01 -0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 44.00 1sww s LEU 150 CO 0.03 -0.02 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.93 1sww s VAL 151 N 0.29 1.56 0.35 1.48 1.01 0.18 -4.96 120.40 120.30 1sww s VAL 151 Ca -0.03 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1sww s VAL 151 Cb -0.05 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 1sww s VAL 151 CO -0.01 0.22 0.01 0.42 0.00 0.00 0.00 175.10 175.74 1sww s THR 152 N -0.74 1.64 0.17 3.92 -4.23 -1.26 -3.00 115.64 112.13 1sww s THR 152 Ca 0.07 -2.04 0.33 0.00 -1.18 0.00 0.00 61.69 58.87 1sww s THR 152 Cb -0.08 -2.79 0.33 0.00 1.34 0.00 0.00 72.50 71.30 1sww s THR 152 CO 0.01 -0.07 2.00 -0.65 -0.54 0.00 0.00 174.62 175.37 1sww h PRO 153 N 2.02 0.00 0.00 3.99 0.11 -1.78 -1.63 132.00 134.71 1sww h PRO 153 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1sww h PRO 153 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sww h PRO 153 CO 0.73 0.00 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.01 1sww h ASP 154 N 0.00 0.00 1.69 -2.05 3.32 -1.94 -3.13 116.42 114.31 1sww h ASP 154 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1sww h ASP 154 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1sww h ASP 154 CO 0.00 0.07 -0.30 0.44 -1.72 0.00 0.00 179.24 177.73 1sww h ASP 155 N 0.00 0.00 -2.01 6.45 3.45 -1.70 -3.47 116.42 119.13 1sww h ASP 155 Ca -0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.84 1sww h ASP 155 Cb 0.77 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.41 1sww h ASP 155 CO 0.01 0.30 -0.51 0.68 -1.57 0.00 0.00 179.24 178.16 1sww s VAL 156 N -3.06 0.78 0.37 -1.35 -7.23 -1.18 -5.05 120.40 103.67 1sww s VAL 156 Ca 0.05 -2.00 0.34 0.00 -1.81 0.00 0.00 61.98 58.56 1sww s VAL 156 Cb 0.07 -2.24 0.37 0.00 0.56 0.00 0.00 36.38 35.13 1sww s VAL 156 CO 0.71 0.00 2.12 -0.65 -0.31 0.00 0.00 175.10 176.97 1sww h PRO 157 N 1.59 0.00 -1.65 4.82 0.11 -1.92 -3.46 132.00 131.48 1sww h PRO 157 Ca -0.38 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.87 1sww h PRO 157 Cb 1.29 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.19 1sww h PRO 157 CO 0.63 0.05 0.64 0.00 -0.21 0.00 0.00 178.00 179.10 1sww s ALA 158 N -4.00 -1.96 0.68 -0.75 0.00 -1.26 -5.10 121.76 109.38 1sww s ALA 158 Ca -0.02 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1sww s ALA 158 Cb 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1sww s ALA 158 CO 0.53 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1sww n GLY 159 N 0.31 0.55 3.59 0.00 0.00 -1.26 -4.62 105.19 103.76 1sww n GLY 159 Ca -0.07 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 1sww n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sww n ARG 160 N 0.00 0.47 -0.04 1.61 1.74 -1.26 -2.08 116.66 117.09 1sww n ARG 160 Ca 0.00 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.36 1sww n ARG 160 Cb 0.00 -2.15 0.32 0.00 -1.02 0.00 0.00 32.46 29.61 1sww n ARG 160 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sww n PRO 161 N -1.66 1.29 -1.74 5.56 -0.04 -1.26 -4.66 135.00 132.49 1sww n PRO 161 Ca 0.12 -0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 62.74 1sww n PRO 161 Cb 0.49 -1.24 0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1sww n PRO 161 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sww n TYR 162 N -0.27 2.51 1.53 0.54 4.02 -0.88 -3.82 117.16 120.79 1sww n TYR 162 Ca 0.11 0.46 0.09 0.00 -0.01 0.00 0.00 57.90 58.55 1sww n TYR 162 Cb 0.14 -2.43 0.39 0.00 -0.02 0.00 0.00 39.34 37.42 1sww n TYR 162 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1sww n PRO 163 N -0.10 1.42 -0.01 -0.72 -0.04 -1.26 -4.48 135.00 129.80 1sww n PRO 163 Ca 0.06 -0.63 -0.11 0.00 -0.04 0.00 0.00 63.50 62.78 1sww n PRO 163 Cb 0.41 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1sww n PRO 163 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1sww h TRP 164 N 1.23 -0.97 -1.00 0.54 -0.00 -1.91 -1.76 115.95 112.08 1sww h TRP 164 Ca 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 58.89 59.07 1sww h TRP 164 Cb 0.27 0.45 -0.09 0.00 -0.00 0.00 0.00 29.16 29.79 1sww h TRP 164 CO 0.07 -0.42 0.62 0.52 -0.00 0.00 0.00 178.44 179.23 1sww h MET 165 N -0.40 0.90 -0.52 0.49 2.86 -1.82 -1.22 114.93 115.22 1sww h MET 165 Ca 0.10 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1sww h MET 165 Cb 0.57 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1sww h MET 165 CO -0.39 0.59 -0.07 0.00 1.06 0.00 0.00 176.91 178.10 1sww h TYR 167 N 0.84 1.09 -0.29 0.00 0.05 -0.48 0.24 116.97 118.42 1sww h TYR 167 Ca 0.14 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1sww h TYR 167 Cb 0.60 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1sww h TYR 167 CO 0.04 0.91 0.12 -0.22 -1.05 0.00 0.00 178.16 177.96 1sww h LYS 168 N 0.95 0.26 -0.58 4.88 1.63 -0.91 0.16 116.57 122.97 1sww h LYS 168 Ca 0.20 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 1sww h LYS 168 Cb 0.38 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 1sww h LYS 168 CO 0.01 0.17 0.26 -0.91 -3.45 0.00 0.00 179.45 175.53 1sww h ASN 169 N 0.27 0.33 -0.55 4.20 2.35 -0.79 -0.27 115.58 121.12 1sww h ASN 169 Ca 0.13 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1sww h ASN 169 Cb 0.07 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1sww h ASN 169 CO -0.11 0.21 0.36 0.00 -1.65 0.00 0.00 177.43 176.24 1sww h ALA 170 N 1.35 0.70 0.91 -0.83 0.00 0.19 0.21 119.26 121.78 1sww h ALA 170 Ca 0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sww h ALA 170 Cb 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sww h ALA 170 CO -0.23 0.11 -0.44 0.52 0.00 0.00 0.00 179.25 179.22 1sww h MET 171 N 0.72 -1.18 -0.36 0.00 2.86 0.03 -1.19 114.93 115.82 1sww h MET 171 Ca 0.21 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1sww h MET 171 Cb -0.06 0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1sww h MET 171 CO -0.06 -0.78 0.19 1.49 1.06 0.00 0.00 176.91 178.81 1sww h GLU 172 N -1.22 0.48 -0.01 1.72 4.57 -0.99 -1.82 114.58 117.31 1sww h GLU 172 Ca -0.12 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1sww h GLU 172 Cb 0.94 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1sww h GLU 172 CO 0.21 0.36 -0.11 1.28 -1.18 0.00 0.00 179.01 179.57 1sww n LEU 173 N -4.44 0.80 -3.10 1.64 4.77 0.72 -4.94 117.00 112.45 1sww n LEU 173 Ca 0.02 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.59 1sww n LEU 173 Cb 0.10 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1sww n LEU 173 CO 0.36 0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 177.16 1sww n GLY 174 N 1.24 -0.52 3.58 -0.72 0.00 -0.52 -4.99 105.19 103.26 1sww n GLY 174 Ca 0.16 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1sww n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sww s VAL 175 N -3.12 3.56 -0.20 1.61 1.01 -0.79 -5.05 120.40 117.42 1sww s VAL 175 Ca 0.33 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1sww s VAL 175 Cb -0.15 -2.54 0.15 0.00 0.00 0.00 0.00 36.38 33.83 1sww s VAL 175 CO 0.41 0.39 1.15 -0.72 0.00 0.00 0.00 175.10 176.32 1sww s TYR 176 N -0.99 -0.21 1.22 5.22 1.13 -1.26 -4.65 117.35 117.81 1sww s TYR 176 Ca 0.17 0.31 -0.20 0.00 -1.41 0.00 0.00 57.07 55.93 1sww s TYR 176 Cb -0.11 0.48 0.30 0.00 -1.10 0.00 0.00 41.96 41.53 1sww s TYR 176 CO 0.07 -0.23 1.14 -2.14 -2.51 0.00 0.00 175.55 171.88 1sww s PRO 177 N -1.48 -1.39 0.45 -3.49 0.02 -1.26 -4.86 135.00 122.99 1sww s PRO 177 Ca 0.04 -0.23 0.12 0.00 0.02 0.00 0.00 61.00 60.95 1sww s PRO 177 Cb -0.01 -1.59 1.03 0.00 0.02 0.00 0.00 34.50 33.95 1sww s PRO 177 CO -0.03 -3.79 2.06 0.52 -0.33 0.00 0.00 177.00 175.42 1sww h MET 178 N -2.64 0.34 -0.21 5.54 2.86 -1.86 -1.55 114.93 117.42 1sww h MET 178 Ca -0.43 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1sww h MET 178 Cb 1.28 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1sww h MET 178 CO 0.29 0.23 0.00 0.27 1.06 0.00 0.00 176.91 178.76 1sww n ASN 179 N -4.48 0.21 -1.27 1.22 0.23 -1.13 -1.52 115.26 108.51 1sww n ASN 179 Ca 0.04 -1.60 0.09 0.00 -0.53 0.00 0.00 54.58 52.58 1sww n ASN 179 Cb 0.18 -0.10 0.30 0.00 -2.08 0.00 0.00 39.78 38.08 1sww n ASN 179 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1sww n HIS 180 N -0.35 1.14 -4.22 -2.53 8.25 -0.58 -4.78 115.22 112.15 1sww n HIS 180 Ca 0.00 -0.61 -0.21 0.00 -0.26 0.00 0.00 57.72 56.65 1sww n HIS 180 Cb 0.05 -0.18 -0.12 0.00 1.12 0.00 0.00 29.99 30.86 1sww n HIS 180 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1sww s MET 181 N -1.69 0.96 -0.09 -0.41 -1.94 -0.58 0.87 119.30 116.42 1sww s MET 181 Ca 0.44 -1.07 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1sww s MET 181 Cb 0.28 -1.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.05 1sww s MET 181 CO 0.22 0.24 -0.20 0.42 -0.01 0.00 0.00 175.02 175.69 1sww s ILE 182 N -1.30 2.43 -0.29 2.53 1.01 -0.11 -1.94 121.20 123.53 1sww s ILE 182 Ca 0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1sww s ILE 182 Cb -0.10 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1sww s ILE 182 CO 0.03 0.55 0.14 -0.75 0.00 0.00 0.00 174.94 174.92 1sww s LYS 183 N 0.13 3.58 -0.23 2.79 2.36 0.28 0.11 119.74 128.76 1sww s LYS 183 Ca -0.10 -0.55 -0.06 0.00 -2.55 0.00 0.00 55.97 52.71 1sww s LYS 183 Cb -0.16 -3.53 -0.02 0.00 -1.05 0.00 0.00 37.83 33.08 1sww s LYS 183 CO 0.06 -0.30 0.01 0.08 1.55 0.00 0.00 175.35 176.76 1sww s VAL 184 N 1.65 3.86 0.34 4.02 1.01 0.22 -0.63 120.40 130.88 1sww s VAL 184 Ca 0.06 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1sww s VAL 184 Cb -0.16 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1sww s VAL 184 CO 0.07 0.39 0.34 -0.83 0.00 0.00 0.00 175.10 175.06 1sww s GLY 185 N 1.48 2.13 0.00 4.51 0.00 -0.36 -1.61 107.32 113.48 1sww s GLY 185 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1sww s GLY 185 CO 0.00 -1.35 0.20 2.09 0.00 0.00 0.00 173.10 174.05 1sww n ASP 186 N -1.55 0.41 -4.63 1.64 5.75 -1.26 -0.98 116.55 115.93 1sww n ASP 186 Ca 0.06 -0.97 -0.27 0.00 -0.01 0.00 0.00 54.79 53.60 1sww n ASP 186 Cb 0.62 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 1sww n ASP 186 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sww s THR 187 N -0.02 2.09 0.15 2.12 -4.23 -1.26 -3.59 115.64 110.89 1sww s THR 187 Ca 0.00 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1sww s THR 187 Cb 0.00 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1sww s THR 187 CO 0.00 -0.03 1.62 0.58 -0.54 0.00 0.00 174.62 176.25 1sww h VAL 188 N 1.75 1.26 0.00 2.29 2.07 -1.87 -2.31 116.25 119.44 1sww h VAL 188 Ca -0.44 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1sww h VAL 188 Cb 1.24 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1sww h VAL 188 CO 0.78 0.35 -0.05 0.77 0.02 0.00 0.00 177.57 179.44 1sww h SER 189 N 0.70 0.00 0.21 0.57 4.64 -1.88 -0.35 113.55 117.44 1sww h SER 189 Ca 0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1sww h SER 189 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1sww h SER 189 CO 0.02 0.05 -0.89 0.44 -0.87 0.00 0.00 176.83 175.58 1sww h ASP 190 N 0.00 0.63 -0.34 4.97 3.32 -1.72 -1.58 116.42 121.69 1sww h ASP 190 Ca -0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1sww h ASP 190 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1sww h ASP 190 CO 0.01 1.26 -0.23 0.24 -1.72 0.00 0.00 179.24 178.79 1sww h MET 191 N 0.31 0.76 -0.17 3.56 2.86 -0.68 -2.31 114.93 119.26 1sww h MET 191 Ca -0.07 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.14 1sww h MET 191 Cb 1.51 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 1sww h MET 191 CO 0.16 0.98 -0.21 0.87 1.06 0.00 0.00 176.91 179.77 1sww h LYS 192 N 0.54 0.29 -0.11 1.72 1.57 -1.19 -1.64 116.57 117.77 1sww h LYS 192 Ca 0.07 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1sww h LYS 192 Cb 0.79 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1sww h LYS 192 CO 0.06 0.50 -0.05 1.49 -0.57 0.00 0.00 179.45 180.88 1sww h GLU 193 N 0.27 0.22 -0.40 3.15 4.81 -1.16 0.04 114.58 121.51 1sww h GLU 193 Ca 0.05 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1sww h GLU 193 Cb 0.53 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1sww h GLU 193 CO 0.04 0.57 0.22 0.78 -0.73 0.00 0.00 179.01 179.88 1sww h GLY 194 N -0.13 0.55 1.21 1.92 0.00 -1.17 -0.85 103.07 104.60 1sww h GLY 194 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 1sww h GLY 194 CO 0.02 0.12 -0.33 3.21 0.00 0.00 0.00 176.54 179.56 1sww h ARG 195 N 0.44 0.88 0.00 4.80 2.47 -1.29 -1.58 114.38 120.09 1sww h ARG 195 Ca 0.17 -0.43 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 1sww h ARG 195 Cb 0.05 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1sww h ARG 195 CO -0.10 1.08 -0.21 -0.91 0.56 0.00 0.00 179.97 180.39 1sww h ASN 196 N 0.73 0.00 0.04 7.04 2.35 -0.67 -2.13 115.58 122.94 1sww h ASN 196 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1sww h ASN 196 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1sww h ASN 196 CO 0.08 0.21 -0.05 0.00 -1.65 0.00 0.00 177.43 176.02 1sww n ALA 197 N -2.44 2.67 -2.61 -0.83 0.00 -0.35 -4.72 120.51 112.24 1sww n ALA 197 Ca -0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 1sww n ALA 197 Cb 0.28 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.58 1sww n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sww n GLY 198 N 1.20 0.01 3.76 0.00 0.00 -0.80 -4.79 105.19 104.58 1sww n GLY 198 Ca 0.18 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1sww n GLY 198 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sww s MET 199 N -5.08 2.17 -0.30 1.61 0.23 -0.63 -2.83 119.30 114.48 1sww s MET 199 Ca 0.14 -2.11 -0.29 0.00 -1.03 0.00 0.00 55.69 52.40 1sww s MET 199 Cb -0.06 -1.79 -0.00 0.00 -1.53 0.00 0.00 34.83 31.44 1sww s MET 199 CO 0.18 -0.28 1.38 -1.58 -2.03 0.00 0.00 175.02 172.69 1sww s TRP 200 N -2.75 2.52 -0.24 3.16 0.52 -0.82 -4.54 118.94 116.80 1sww s TRP 200 Ca 0.27 0.78 -0.12 0.00 0.02 0.00 0.00 56.10 57.04 1sww s TRP 200 Cb 0.03 -3.98 -0.05 0.00 -1.15 0.00 0.00 33.47 28.32 1sww s TRP 200 CO 0.15 -2.00 0.24 0.99 0.02 0.00 0.00 176.95 176.35 1sww s THR 201 N 4.71 5.30 -0.05 2.01 2.01 -1.26 0.10 115.64 128.45 1sww s THR 201 Ca 0.60 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.97 1sww s THR 201 Cb -0.18 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1sww s THR 201 CO 0.26 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1sww s VAL 202 N 1.32 1.14 -0.15 3.82 1.01 0.20 -0.54 120.40 127.19 1sww s VAL 202 Ca 0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1sww s VAL 202 Cb -0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1sww s VAL 202 CO 0.07 0.35 0.03 -0.83 0.00 0.00 0.00 175.10 174.71 1sww s GLY 203 N 0.43 1.86 -0.05 4.51 0.00 -0.86 -1.22 107.32 111.99 1sww s GLY 203 Ca -0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 1sww s GLY 203 CO 0.03 -0.12 0.40 0.14 0.00 0.00 0.00 173.10 173.54 1sww s VAL 204 N 0.05 5.11 -0.17 1.40 1.01 -0.15 -0.79 120.40 126.86 1sww s VAL 204 Ca 0.04 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.66 1sww s VAL 204 Cb -0.13 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1sww s VAL 204 CO 0.01 0.50 -0.30 -0.38 0.00 0.00 0.00 175.10 174.94 1sww n ILE 205 N 2.43 1.48 -2.19 2.22 5.41 -0.31 -4.47 119.36 123.94 1sww n ILE 205 Ca -0.13 0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.33 1sww n ILE 205 Cb 0.52 -2.34 -0.02 0.00 -0.71 0.00 0.00 39.64 37.09 1sww n ILE 205 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sww s LEU 206 N -7.97 3.52 0.00 1.39 1.43 -0.07 -1.75 118.68 115.22 1sww s LEU 206 Ca -0.26 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1sww s LEU 206 Cb 0.04 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1sww s LEU 206 CO 0.38 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.94 1sww n GLY 207 N 5.28 0.80 3.83 -3.19 0.00 -1.26 -4.88 105.19 105.76 1sww n GLY 207 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1sww n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sww s SER 208 N -1.58 6.25 0.42 1.61 1.04 -0.72 0.41 113.70 121.14 1sww s SER 208 Ca 0.00 1.64 0.16 0.00 0.48 0.00 0.00 55.95 58.23 1sww s SER 208 Cb 0.00 -2.51 0.93 0.00 0.10 0.00 0.00 66.02 64.54 1sww s SER 208 CO 0.00 -0.84 1.92 -1.28 0.98 0.00 0.00 173.24 174.01 1sww h SER 209 N 0.59 0.00 0.19 7.02 0.87 -1.72 -2.21 113.55 118.28 1sww h SER 209 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 1sww h SER 209 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1sww h SER 209 CO 0.60 0.27 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.63 1sww h GLU 210 N 0.00 0.05 0.09 2.24 4.39 -1.89 -2.65 114.58 116.82 1sww h GLU 210 Ca -0.00 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 1sww h GLU 210 Cb 0.51 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1sww h GLU 210 CO 0.03 0.26 -0.71 1.25 -1.16 0.00 0.00 179.01 178.69 1sww h LEU 211 N 0.05 0.46 0.00 1.33 6.46 -1.66 -3.47 115.31 118.48 1sww h LEU 211 Ca 0.01 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.87 1sww h LEU 211 Cb 0.41 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1sww h LEU 211 CO 0.03 1.32 0.00 0.61 -0.62 0.00 0.00 178.44 179.78 1sww n GLY 212 N 1.49 0.68 3.91 3.75 0.00 -0.92 -5.01 105.19 109.07 1sww n GLY 212 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1sww n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sww s LEU 213 N 0.00 4.37 0.92 0.99 1.43 -1.26 -5.01 118.68 120.12 1sww s LEU 213 Ca 0.00 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1sww s LEU 213 Cb 0.00 -2.68 0.19 0.00 0.03 0.00 0.00 46.19 43.73 1sww s LEU 213 CO 0.00 0.24 1.27 0.42 0.23 0.00 0.00 176.35 178.51 1sww s THR 214 N -1.36 2.02 0.07 5.49 -4.23 -1.26 -4.32 115.64 112.05 1sww s THR 214 Ca 0.29 -0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1sww s THR 214 Cb -0.13 -2.90 -0.13 0.00 1.34 0.00 0.00 72.50 70.69 1sww s THR 214 CO 0.20 0.00 1.59 -0.33 -0.54 0.00 0.00 174.62 175.54 1sww h GLU 215 N -1.45 0.16 -0.56 3.99 5.08 -2.00 -2.35 114.58 117.46 1sww h GLU 215 Ca -0.43 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1sww h GLU 215 Cb 1.24 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1sww h GLU 215 CO 0.37 0.29 0.35 0.93 -1.00 0.00 0.00 179.01 179.95 1sww h GLU 216 N 0.00 0.68 -0.06 2.33 4.39 -2.00 -1.51 114.58 118.41 1sww h GLU 216 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1sww h GLU 216 Cb 0.19 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sww h GLU 216 CO -0.00 0.45 -0.02 0.93 -1.16 0.00 0.00 179.01 179.20 1sww h GLU 217 N 0.70 0.08 -0.18 2.33 5.08 -1.91 0.11 114.58 120.79 1sww h GLU 217 Ca 0.22 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1sww h GLU 217 Cb -0.01 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1sww h GLU 217 CO -0.08 0.12 -0.24 0.28 -1.00 0.00 0.00 179.01 178.09 1sww h VAL 218 N 0.08 1.34 0.08 3.13 2.07 -0.73 -3.11 116.25 119.11 1sww h VAL 218 Ca 0.02 -1.45 -0.24 0.00 0.82 0.00 0.00 66.70 65.86 1sww h VAL 218 Cb 0.10 1.87 0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1sww h VAL 218 CO 0.00 0.44 -0.99 -0.33 0.02 0.00 0.00 177.57 176.71 1sww h GLU 219 N 0.12 0.54 0.00 1.57 5.08 -1.01 -3.24 114.58 117.64 1sww h GLU 219 Ca 0.02 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1sww h GLU 219 Cb 0.81 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1sww h GLU 219 CO 0.06 1.28 0.00 0.09 -1.00 0.00 0.00 179.01 179.44 1sww n ASN 220 N -3.96 0.00 -4.73 1.42 3.02 0.36 -4.78 115.26 106.58 1sww n ASN 220 Ca -0.13 -1.31 -0.32 0.00 -0.03 0.00 0.00 54.58 52.79 1sww n ASN 220 Cb 0.87 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 1sww n ASN 220 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1sww s MET 221 N -2.00 2.89 0.35 3.52 1.75 -1.17 -5.01 119.30 119.62 1sww s MET 221 Ca 0.05 -0.58 -0.28 0.00 -1.25 0.00 0.00 55.69 53.62 1sww s MET 221 Cb 0.02 -2.74 -0.12 0.00 2.84 0.00 0.00 34.83 34.83 1sww s MET 221 CO 0.04 0.62 1.36 -3.47 -0.65 0.00 0.00 175.02 172.91 1sww n ASP 222 N 1.18 3.10 0.31 1.11 4.64 -1.26 -4.81 116.55 120.82 1sww n ASP 222 Ca -0.13 1.21 0.21 0.00 -1.38 0.00 0.00 54.79 54.70 1sww n ASP 222 Cb 0.53 -1.53 1.07 0.00 -1.04 0.00 0.00 41.12 40.15 1sww n ASP 222 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1sww h SER 223 N 2.67 0.00 0.23 1.67 0.02 -1.95 -1.04 113.55 115.15 1sww h SER 223 Ca -0.48 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.13 1sww h SER 223 Cb 1.27 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.84 1sww h SER 223 CO 0.63 0.00 -1.57 0.58 -1.14 0.00 0.00 176.83 175.33 1sww h VAL 224 N 0.00 1.15 -0.26 2.27 2.07 -1.97 -3.00 116.25 116.52 1sww h VAL 224 Ca 0.00 -2.62 -0.19 0.00 0.82 0.00 0.00 66.70 64.71 1sww h VAL 224 Cb 0.10 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1sww h VAL 224 CO 0.00 0.83 -0.60 -0.08 0.02 0.00 0.00 177.57 177.74 1sww h GLU 225 N 0.11 0.86 0.65 1.57 4.81 -1.80 -2.83 114.58 117.95 1sww h GLU 225 Ca -0.29 -0.58 -0.03 0.00 -0.13 0.00 0.00 59.36 58.33 1sww h GLU 225 Cb 2.13 0.08 0.01 0.00 0.63 0.00 0.00 28.75 31.60 1sww h GLU 225 CO 0.23 1.21 -0.31 1.25 -0.73 0.00 0.00 179.01 180.66 1sww h LEU 226 N 0.63 -0.74 0.00 1.64 5.85 -1.35 -0.19 115.31 121.16 1sww h LEU 226 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sww h LEU 226 Cb 1.21 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1sww h LEU 226 CO 0.13 -0.48 0.00 0.54 -0.34 0.00 0.00 178.44 178.29 1sww n ARG 227 N -5.44 0.27 -0.12 1.25 5.12 -1.13 -0.60 116.66 116.01 1sww n ARG 227 Ca -0.13 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.53 1sww n ARG 227 Cb 0.36 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.42 1sww n ARG 227 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1sww n GLU 228 N -0.65 0.53 0.13 5.56 2.13 -0.48 -4.05 120.64 123.80 1sww n GLU 228 Ca 0.02 0.22 -0.02 0.00 0.66 0.00 0.00 57.16 58.04 1sww n GLU 228 Cb 0.01 -1.39 0.16 0.00 0.27 0.00 0.00 31.44 30.49 1sww n GLU 228 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1sww h LYS 229 N -0.80 0.04 -0.53 5.31 1.57 0.33 -2.54 116.57 119.94 1sww h LYS 229 Ca -0.62 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.03 1sww h LYS 229 Cb 1.58 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1sww h LYS 229 CO -0.35 0.65 -0.07 0.82 -0.57 0.00 0.00 179.45 179.93 1sww h ILE 230 N 0.03 1.26 0.00 1.86 2.04 -1.08 -1.69 117.51 119.94 1sww h ILE 230 Ca -0.01 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 1sww h ILE 230 Cb 1.11 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1sww h ILE 230 CO 0.08 0.42 -0.47 -0.08 0.00 0.00 0.00 178.15 178.11 1sww h GLU 231 N 0.87 0.00 -0.06 2.37 4.57 -1.66 0.11 114.58 120.78 1sww h GLU 231 Ca 0.15 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1sww h GLU 231 Cb 0.60 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1sww h GLU 231 CO 0.04 0.47 -0.03 0.28 -1.18 0.00 0.00 179.01 178.58 1sww h VAL 232 N 0.00 1.33 -0.34 0.32 2.07 -1.07 -1.29 116.25 117.28 1sww h VAL 232 Ca -0.00 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1sww h VAL 232 Cb 0.93 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1sww h VAL 232 CO 0.06 0.29 0.07 0.58 0.02 0.00 0.00 177.57 178.59 1sww h VAL 233 N -0.26 1.23 -0.51 2.57 2.07 -1.18 -0.38 116.25 119.80 1sww h VAL 233 Ca 0.01 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1sww h VAL 233 Cb 0.48 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1sww h VAL 233 CO 0.01 0.26 0.24 -0.09 0.02 0.00 0.00 177.57 178.01 1sww h ARG 234 N 0.39 0.45 -0.07 1.57 2.43 -0.80 0.15 114.38 118.50 1sww h ARG 234 Ca 0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1sww h ARG 234 Cb 0.32 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1sww h ARG 234 CO 0.00 0.30 -0.36 -0.97 -1.51 0.00 0.00 179.97 177.43 1sww h ASN 235 N 0.46 0.13 -0.07 -3.80 -0.73 -1.04 -2.01 115.58 108.52 1sww h ASN 235 Ca 0.23 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 1sww h ASN 235 Cb 0.17 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 1sww h ASN 235 CO -0.18 0.49 -0.05 -0.09 -0.37 0.00 0.00 177.43 177.23 1sww h ARG 236 N 0.11 0.15 -0.08 6.67 2.43 0.52 -0.31 114.38 123.87 1sww h ARG 236 Ca 0.01 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1sww h ARG 236 Cb 0.69 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1sww h ARG 236 CO 0.05 0.55 -0.08 0.74 -1.51 0.00 0.00 179.97 179.72 1sww h PHE 237 N -0.24 -0.20 -0.21 2.20 0.04 -0.70 -2.38 116.94 115.44 1sww h PHE 237 Ca 0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1sww h PHE 237 Cb 0.51 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1sww h PHE 237 CO 0.08 -0.13 0.08 0.28 -0.60 0.00 0.00 178.31 178.01 1sww h VAL 238 N -0.10 1.17 0.00 -0.55 2.07 -1.37 -1.95 116.25 115.51 1sww h VAL 238 Ca 0.06 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1sww h VAL 238 Cb 0.19 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1sww h VAL 238 CO -0.15 0.17 0.03 -0.33 0.02 0.00 0.00 177.57 177.31 1sww h GLU 239 N 0.17 0.00 -0.63 1.57 5.08 -0.94 -1.33 114.58 118.50 1sww h GLU 239 Ca 0.07 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1sww h GLU 239 Cb 0.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.30 1sww h GLU 239 CO -0.00 0.00 0.22 0.09 -1.00 0.00 0.00 179.01 178.32 1sww n ASN 240 N -2.64 3.93 0.00 1.42 3.02 -0.79 -4.94 115.26 115.26 1sww n ASN 240 Ca -0.02 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1sww n ASN 240 Cb 0.08 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 1sww n ASN 240 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sww n GLY 241 N -0.63 1.82 3.67 7.41 0.00 -0.50 -4.15 105.19 112.81 1sww n GLY 241 Ca 0.40 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.96 1sww n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sww n ALA 242 N -1.97 1.37 -0.01 4.61 0.00 -0.87 -4.84 120.51 118.81 1sww n ALA 242 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 1sww n ALA 242 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 16.97 1sww n ALA 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sww h HIS 243 N 6.33 0.50 -3.82 0.00 3.86 -1.17 -3.42 115.15 117.43 1sww h HIS 243 Ca -0.45 -0.26 -0.30 0.00 -1.16 0.00 0.00 60.37 58.20 1sww h HIS 243 Cb 1.25 -0.06 -0.19 0.00 1.06 0.00 0.00 27.41 29.48 1sww h HIS 243 CO 0.65 1.06 -0.73 -0.06 0.86 0.00 0.00 177.93 179.72 1sww s PHE 244 N -3.25 0.95 0.04 2.45 0.40 -1.06 -5.06 117.98 112.44 1sww s PHE 244 Ca -0.14 -0.64 0.06 0.00 -0.60 0.00 0.00 56.93 55.61 1sww s PHE 244 Cb 0.03 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 1sww s PHE 244 CO 0.79 -0.04 -0.17 0.95 0.70 0.00 0.00 175.22 177.46 1sww s THR 245 N -2.24 1.32 -0.01 0.64 -4.23 -1.26 -2.03 115.64 107.82 1sww s THR 245 Ca 0.02 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1sww s THR 245 Cb -0.04 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1sww s THR 245 CO -0.00 0.08 -0.05 0.27 -0.54 0.00 0.00 174.62 174.38 1sww s ILE 246 N -0.82 0.41 0.18 2.99 -4.36 0.03 -4.93 121.20 114.70 1sww s ILE 246 Ca 0.04 -0.18 -0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1sww s ILE 246 Cb -0.08 -0.37 0.03 0.00 1.25 0.00 0.00 42.46 43.28 1sww s ILE 246 CO 0.01 0.14 1.59 -0.33 0.24 0.00 0.00 174.94 176.59 1sww h GLU 247 N 6.31 0.95 -4.36 0.37 5.08 -1.95 -0.80 114.58 120.17 1sww h GLU 247 Ca -0.31 -0.38 -0.16 0.00 -1.00 0.00 0.00 59.36 57.52 1sww h GLU 247 Cb 1.18 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 1sww h GLU 247 CO 0.50 1.04 -0.67 0.99 -1.00 0.00 0.00 179.01 179.87 1sww s THR 248 N -4.72 0.26 0.61 1.13 2.01 -1.26 -0.89 115.64 112.78 1sww s THR 248 Ca -0.11 -1.86 0.44 0.00 0.31 0.00 0.00 61.69 60.47 1sww s THR 248 Cb 0.13 -1.71 0.44 0.00 0.01 0.00 0.00 72.50 71.37 1sww s THR 248 CO 0.86 -0.81 2.34 -0.03 -0.69 0.00 0.00 174.62 176.28 1sww h MET 249 N 3.03 0.00 0.00 4.92 4.05 -1.90 -2.74 114.93 122.29 1sww h MET 249 Ca -0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1sww h MET 249 Cb 1.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1sww h MET 249 CO 0.64 0.00 0.00 1.04 0.23 0.00 0.00 176.91 178.82 1sww n GLN 250 N -3.09 0.43 0.00 0.39 3.00 -1.26 -1.57 117.38 115.28 1sww n GLN 250 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1sww n GLN 250 Cb 0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 30.24 29.00 1sww n GLN 250 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sww n GLU 251 N -0.79 2.97 -0.06 -1.09 1.02 -1.03 -4.64 120.64 117.02 1sww n GLU 251 Ca 0.06 -0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 56.94 1sww n GLU 251 Cb 0.03 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1sww n GLU 251 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sww h LEU 252 N 0.36 -0.01 -0.69 -4.62 5.85 -1.50 -2.48 115.31 112.23 1sww h LEU 252 Ca 0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1sww h LEU 252 Cb 0.30 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 1sww h LEU 252 CO 0.00 0.03 0.19 -0.08 -0.34 0.00 0.00 178.44 178.24 1sww h GLU 253 N 0.13 0.30 -0.62 1.25 4.57 -1.82 -0.51 114.58 117.89 1sww h GLU 253 Ca 0.11 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1sww h GLU 253 Cb 0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1sww h GLU 253 CO -0.16 0.20 0.13 0.77 -1.18 0.00 0.00 179.01 178.77 1sww h SER 254 N 0.31 0.96 -0.73 1.04 0.02 -1.80 -1.89 113.55 111.46 1sww h SER 254 Ca 0.37 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1sww h SER 254 Cb 0.58 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1sww h SER 254 CO -0.44 0.96 0.45 0.58 -1.14 0.00 0.00 176.83 177.24 1sww h VAL 255 N 0.91 1.07 0.69 2.27 2.07 -0.70 0.52 116.25 123.09 1sww h VAL 255 Ca 0.19 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1sww h VAL 255 Cb 0.39 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1sww h VAL 255 CO 0.01 0.16 -0.33 0.24 0.02 0.00 0.00 177.57 177.66 1sww h MET 256 N 0.86 -0.89 -0.61 1.57 2.07 -0.89 -1.12 114.93 115.91 1sww h MET 256 Ca 0.30 0.06 0.12 0.00 -2.07 0.00 0.00 59.70 58.11 1sww h MET 256 Cb 0.07 0.20 -0.04 0.00 -1.87 0.00 0.00 31.60 29.96 1sww h MET 256 CO -0.13 -0.59 0.41 0.93 1.07 0.00 0.00 176.91 178.61 1sww h GLU 257 N -0.95 0.32 -0.20 1.72 5.08 -1.10 0.70 114.58 120.16 1sww h GLU 257 Ca -0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1sww h GLU 257 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1sww h GLU 257 CO 0.16 0.21 0.00 1.25 -1.00 0.00 0.00 179.01 179.63 1sww h HIS 258 N 0.33 0.37 -0.46 4.33 2.76 -0.55 -3.04 115.15 118.88 1sww h HIS 258 Ca 0.29 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1sww h HIS 258 Cb 0.69 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 1sww h HIS 258 CO -0.00 0.53 0.12 0.82 -1.30 0.00 0.00 177.93 178.10 1sww h ILE 259 N 0.10 1.20 -0.74 6.26 2.04 0.36 -2.58 117.51 124.15 1sww h ILE 259 Ca 0.06 -0.70 0.20 0.00 1.00 0.00 0.00 64.86 65.41 1sww h ILE 259 Cb 0.38 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1sww h ILE 259 CO 0.01 0.26 0.52 -0.33 0.00 0.00 0.00 178.15 178.61 1sww h GLU 260 N 0.67 0.11 -0.01 2.37 4.39 -1.00 -3.47 114.58 117.64 1sww h GLU 260 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1sww h GLU 260 Cb 0.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1sww h GLU 260 CO -0.00 0.07 0.00 1.63 -1.16 0.00 0.00 179.01 179.55