#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwf s GLU 25 N 0.00 0.62 0.25 -3.83 2.02 -1.26 -5.08 118.70 111.43 3dwf s GLU 25 Ca 0.00 -1.10 -0.18 0.00 0.02 0.00 0.00 54.97 53.71 3dwf s GLU 25 Cb 0.00 -0.01 -0.08 0.00 0.10 0.00 0.00 34.13 34.14 3dwf s GLU 25 CO 0.00 -0.05 0.72 0.15 0.02 0.00 0.00 175.26 176.10 3dwf s LYS 26 N -3.18 4.17 0.34 1.61 1.02 -1.26 -5.05 119.74 117.39 3dwf s LYS 26 Ca 0.03 0.80 -0.27 0.00 0.02 0.00 0.00 55.97 56.55 3dwf s LYS 26 Cb 0.02 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 3dwf s LYS 26 CO -0.05 0.32 1.08 0.12 -0.92 0.00 0.00 175.35 175.90 3dwf s PHE 27 N -1.66 3.39 -0.02 3.18 5.36 -1.26 -5.06 117.98 121.91 3dwf s PHE 27 Ca 0.46 1.66 0.01 0.00 -0.96 0.00 0.00 56.93 58.11 3dwf s PHE 27 Cb -0.15 -3.22 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 3dwf s PHE 27 CO 0.20 -0.66 -0.03 1.03 -1.46 0.00 0.00 175.22 174.30 3dwf s ARG 28 N -1.99 0.39 0.62 10.12 0.52 -1.26 -5.03 118.95 122.32 3dwf s ARG 28 Ca 0.52 -0.07 0.27 0.00 -0.52 0.00 0.00 55.73 55.92 3dwf s ARG 28 Cb -0.27 -0.44 1.45 0.00 0.52 0.00 0.00 34.95 36.21 3dwf s ARG 28 CO 0.35 -0.01 1.81 -1.35 0.02 0.00 0.00 175.30 176.12 3dwf h PRO 29 N 6.58 0.00 0.00 3.54 0.11 -1.98 0.88 132.00 141.13 3dwf h PRO 29 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3dwf h PRO 29 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dwf h PRO 29 CO 0.49 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.21 3dwf h GLU 30 N 0.00 0.00 0.00 1.05 3.07 -1.96 -2.65 114.58 114.10 3dwf h GLU 30 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dwf h GLU 30 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3dwf h GLU 30 CO 0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 3dwf n MET 31 N -2.78 0.14 0.00 2.33 2.81 0.30 -2.42 117.12 117.51 3dwf n MET 31 Ca 0.02 0.60 0.02 0.00 -1.81 0.00 0.00 57.70 56.53 3dwf n MET 31 Cb 0.34 -1.93 -0.01 0.00 -0.71 0.00 0.00 33.22 30.91 3dwf n MET 31 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dwf n LEU 32 N -2.22 0.58 -4.69 4.03 4.77 -1.00 -4.86 117.00 113.61 3dwf n LEU 32 Ca -0.01 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.87 3dwf n LEU 32 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3dwf n LEU 32 CO 0.11 0.13 1.37 -1.58 -1.33 0.00 0.00 177.39 176.09 3dwf s GLN 33 N -0.95 4.18 0.00 3.23 0.74 -1.01 -1.79 119.66 124.05 3dwf s GLN 33 Ca 0.02 2.41 0.00 0.00 0.05 0.00 0.00 55.36 57.84 3dwf s GLN 33 Cb 0.03 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.53 3dwf s GLN 33 CO 0.10 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.49 3dwf n GLY 34 N 4.07 2.44 3.77 2.59 0.00 -0.02 -4.92 105.19 113.12 3dwf n GLY 34 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3dwf n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwf s LYS 35 N -0.08 3.12 -0.39 1.61 -0.14 -0.74 -4.61 119.74 118.52 3dwf s LYS 35 Ca 0.00 1.53 -0.09 0.00 -1.36 0.00 0.00 55.97 56.05 3dwf s LYS 35 Cb 0.00 -1.98 0.06 0.00 -1.68 0.00 0.00 37.83 34.23 3dwf s LYS 35 CO 0.00 -1.02 0.21 0.15 -0.76 0.00 0.00 175.35 173.94 3dwf s LYS 36 N -3.61 2.62 -0.02 1.68 1.02 -1.26 -0.29 119.74 119.88 3dwf s LYS 36 Ca 0.70 -1.35 0.08 0.00 0.02 0.00 0.00 55.97 55.43 3dwf s LYS 36 Cb -0.23 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 3dwf s LYS 36 CO 0.33 -0.85 -0.26 0.08 -0.92 0.00 0.00 175.35 173.73 3dwf s VAL 37 N 1.43 2.04 -0.17 3.17 1.01 -0.27 0.18 120.40 127.80 3dwf s VAL 37 Ca 0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 3dwf s VAL 37 Cb -0.22 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3dwf s VAL 37 CO 0.03 0.56 0.00 -0.63 0.00 0.00 0.00 175.10 175.06 3dwf s ILE 38 N -0.62 4.27 -0.22 2.22 1.01 -0.36 -1.45 121.20 126.05 3dwf s ILE 38 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3dwf s ILE 38 Cb -0.10 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.52 3dwf s ILE 38 CO -0.01 0.48 -0.16 -0.69 0.00 0.00 0.00 174.94 174.57 3dwf s VAL 39 N 0.35 2.10 0.46 2.92 1.01 -0.74 -0.30 120.40 126.19 3dwf s VAL 39 Ca -0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 3dwf s VAL 39 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3dwf s VAL 39 CO 0.02 0.27 0.74 0.42 0.00 0.00 0.00 175.10 176.55 3dwf s THR 40 N 1.21 4.89 -1.32 3.92 -4.23 -0.91 -1.56 115.64 117.63 3dwf s THR 40 Ca -0.02 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3dwf s THR 40 Cb -0.16 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.85 3dwf s THR 40 CO -0.09 -0.77 0.91 0.61 -0.54 0.00 0.00 174.62 174.73 3dwf n GLY 41 N -2.18 -0.38 0.99 3.99 0.00 -0.18 -3.73 105.19 103.71 3dwf n GLY 41 Ca -0.00 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3dwf n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwf n ALA 42 N -4.40 3.02 0.60 4.61 0.00 -0.67 -3.99 120.51 119.69 3dwf n ALA 42 Ca -0.20 -2.15 0.12 0.00 0.00 0.00 0.00 53.44 51.21 3dwf n ALA 42 Cb 0.64 -0.74 0.22 0.00 0.00 0.00 0.00 19.45 19.57 3dwf n ALA 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dwf n SER 43 N -0.27 0.71 -2.59 0.00 3.41 -1.26 -3.65 113.62 109.97 3dwf n SER 43 Ca 0.21 0.19 -0.06 0.00 -0.26 0.00 0.00 58.87 58.95 3dwf n SER 43 Cb 0.89 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.84 3dwf n SER 43 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3dwf n LYS 44 N -2.11 0.85 0.00 4.33 2.85 -1.26 -4.80 118.16 118.01 3dwf n LYS 44 Ca 0.04 -1.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 3dwf n LYS 44 Cb 0.43 2.15 0.00 0.00 -0.65 0.00 0.00 35.03 36.97 3dwf n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dwf n GLY 45 N -0.49 1.07 0.25 2.58 0.00 -1.26 -2.35 105.19 104.99 3dwf n GLY 45 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.38 3dwf n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dwf h ILE 46 N 0.00 0.73 -0.55 -0.61 2.04 -1.90 -2.65 117.51 114.58 3dwf h ILE 46 Ca 0.00 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3dwf h ILE 46 Cb 0.00 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3dwf h ILE 46 CO 0.00 0.07 0.30 1.23 0.00 0.00 0.00 178.15 179.76 3dwf h GLY 47 N 0.41 0.78 0.66 5.37 0.00 -1.68 0.54 103.07 109.14 3dwf h GLY 47 Ca 0.33 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.50 3dwf h GLY 47 CO -0.34 0.15 0.18 -0.09 0.00 0.00 0.00 176.54 176.45 3dwf h ARG 48 N 0.59 0.36 -0.06 4.80 2.43 -1.12 -1.37 114.38 120.01 3dwf h ARG 48 Ca 0.23 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3dwf h ARG 48 Cb 0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3dwf h ARG 48 CO -0.14 0.24 -0.22 0.93 -1.51 0.00 0.00 179.97 179.27 3dwf h GLU 49 N 0.37 0.09 -0.48 0.20 4.39 -1.06 -1.40 114.58 116.69 3dwf h GLU 49 Ca 0.20 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 3dwf h GLU 49 Cb 0.17 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3dwf h GLU 49 CO -0.18 0.31 -0.06 0.82 -1.16 0.00 0.00 179.01 178.74 3dwf h ILE 50 N 0.09 1.27 -0.30 3.13 2.04 -0.24 -1.69 117.51 121.81 3dwf h ILE 50 Ca 0.01 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3dwf h ILE 50 Cb 0.44 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3dwf h ILE 50 CO 0.03 0.40 0.17 0.00 0.00 0.00 0.00 178.15 178.76 3dwf h ALA 51 N 0.91 0.37 -0.26 1.87 0.00 -0.62 -2.06 119.26 119.47 3dwf h ALA 51 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dwf h ALA 51 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dwf h ALA 51 CO 0.04 -0.20 0.16 1.88 0.00 0.00 0.00 179.25 181.13 3dwf h TYR 52 N 0.36 0.33 -0.45 0.00 0.05 -1.05 -0.66 116.97 115.54 3dwf h TYR 52 Ca 0.12 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.96 3dwf h TYR 52 Cb -0.00 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.58 3dwf h TYR 52 CO -0.08 0.23 0.17 0.45 -1.05 0.00 0.00 178.16 177.88 3dwf h HIS 53 N 0.34 0.29 -0.50 4.88 3.86 -1.26 -1.14 115.15 121.61 3dwf h HIS 53 Ca 0.09 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3dwf h HIS 53 Cb -0.01 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3dwf h HIS 53 CO -0.05 0.11 0.20 -0.07 0.86 0.00 0.00 177.93 178.98 3dwf h LEU 54 N 0.34 0.65 -0.31 2.43 3.38 -0.93 -1.72 115.31 119.15 3dwf h LEU 54 Ca 0.21 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3dwf h LEU 54 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dwf h LEU 54 CO -0.21 0.59 0.01 0.00 0.09 0.00 0.00 178.44 178.92 3dwf h ALA 55 N 1.51 0.42 -0.09 1.53 0.00 -0.62 -1.79 119.26 120.22 3dwf h ALA 55 Ca 0.17 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dwf h ALA 55 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dwf h ALA 55 CO -0.02 0.16 0.09 0.87 0.00 0.00 0.00 179.25 180.35 3dwf h LYS 56 N 0.35 0.00 -0.10 0.00 1.57 -0.49 -0.35 116.57 117.55 3dwf h LYS 56 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3dwf h LYS 56 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dwf h LYS 56 CO 0.01 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.56 3dwf n MET 57 N -4.05 1.76 -2.68 3.15 2.81 -0.72 -4.94 117.12 112.45 3dwf n MET 57 Ca -0.01 -1.12 -0.10 0.00 -1.81 0.00 0.00 57.70 54.66 3dwf n MET 57 Cb 0.19 -1.44 0.02 0.00 -0.71 0.00 0.00 33.22 31.28 3dwf n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwf n GLY 58 N 1.18 0.18 3.93 3.03 0.00 -0.18 -3.20 105.19 110.12 3dwf n GLY 58 Ca 0.18 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 3dwf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwf s ALA 59 N -2.89 3.59 0.02 4.61 0.00 -0.72 -0.84 121.76 125.54 3dwf s ALA 59 Ca 0.16 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 3dwf s ALA 59 Cb -0.07 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 3dwf s ALA 59 CO 0.20 -0.22 0.81 -1.01 0.00 0.00 0.00 175.76 175.53 3dwf s HIS 60 N -2.53 3.70 0.02 0.00 3.76 0.60 -1.34 115.29 119.50 3dwf s HIS 60 Ca 0.44 1.49 0.05 0.00 -0.15 0.00 0.00 55.06 56.89 3dwf s HIS 60 Cb -0.10 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 3dwf s HIS 60 CO 0.40 0.18 -0.14 0.14 -0.85 0.00 0.00 174.74 174.46 3dwf s VAL 61 N 0.30 1.14 -0.22 -0.90 -7.23 -0.33 -1.11 120.40 112.05 3dwf s VAL 61 Ca 0.41 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 3dwf s VAL 61 Cb -0.20 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.78 3dwf s VAL 61 CO 0.23 0.13 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.34 3dwf s VAL 62 N -0.66 1.94 0.11 1.32 1.01 -0.53 -1.86 120.40 121.74 3dwf s VAL 62 Ca 0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 3dwf s VAL 62 Cb -0.07 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3dwf s VAL 62 CO 0.01 0.14 0.32 0.68 0.00 0.00 0.00 175.10 176.25 3dwf s VAL 63 N 1.25 5.24 0.04 2.92 -7.23 -0.46 -1.78 120.40 120.38 3dwf s VAL 63 Ca -0.04 -0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 3dwf s VAL 63 Cb -0.17 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 3dwf s VAL 63 CO -0.08 0.09 0.04 0.28 -0.31 0.00 0.00 175.10 175.13 3dwf s THR 64 N -1.59 0.16 -1.06 5.32 -1.32 -0.60 -1.92 115.64 114.62 3dwf s THR 64 Ca 0.38 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3dwf s THR 64 Cb -0.12 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3dwf s THR 64 CO 0.25 -0.73 0.00 0.00 -2.21 0.00 0.00 174.62 171.93 3dwf n ALA 65 N 0.58 0.00 0.07 11.08 0.00 -1.24 -1.01 120.51 129.98 3dwf n ALA 65 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3dwf n ALA 65 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 3dwf n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwf h ARG 66 N 0.00 0.22 -6.32 0.00 3.08 -1.91 -1.32 114.38 108.12 3dwf h ARG 66 Ca 0.00 -0.37 -0.58 0.00 0.07 0.00 0.00 59.98 59.10 3dwf h ARG 66 Cb 0.00 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 3dwf h ARG 66 CO 0.00 1.10 0.75 0.45 -1.07 0.00 0.00 179.97 181.19 3dwf s SER 67 N -6.95 6.70 0.06 7.04 0.15 -1.26 -4.39 113.70 115.04 3dwf s SER 67 Ca -0.07 0.59 -0.29 0.00 0.70 0.00 0.00 55.95 56.89 3dwf s SER 67 Cb 0.07 -2.50 -0.17 0.00 -1.71 0.00 0.00 66.02 61.70 3dwf s SER 67 CO 0.86 -1.00 1.55 0.50 1.20 0.00 0.00 173.24 176.35 3dwf h LYS 68 N 8.68 -0.55 -0.57 5.44 3.64 -1.98 -1.92 116.57 129.32 3dwf h LYS 68 Ca -0.23 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3dwf h LYS 68 Cb 1.07 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 3dwf h LYS 68 CO 1.04 -0.32 0.31 1.49 -2.27 0.00 0.00 179.45 179.71 3dwf h GLU 69 N -0.66 0.58 -0.61 1.90 4.81 -1.99 0.42 114.58 119.03 3dwf h GLU 69 Ca -0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3dwf h GLU 69 Cb 0.48 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3dwf h GLU 69 CO 0.10 0.38 0.32 0.00 -0.73 0.00 0.00 179.01 179.08 3dwf h ALA 70 N 1.29 0.79 -0.78 2.92 0.00 -1.92 -1.92 119.26 119.64 3dwf h ALA 70 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3dwf h ALA 70 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3dwf h ALA 70 CO -0.15 0.32 0.31 -0.07 0.00 0.00 0.00 179.25 179.66 3dwf h LEU 71 N 0.84 1.08 -0.63 0.00 3.38 -0.81 -2.22 115.31 116.95 3dwf h LEU 71 Ca 0.21 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3dwf h LEU 71 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3dwf h LEU 71 CO -0.03 0.96 0.41 1.56 0.09 0.00 0.00 178.44 181.43 3dwf h GLN 72 N 1.13 0.82 -0.56 1.13 4.20 -0.55 -0.51 115.11 120.78 3dwf h GLN 72 Ca 0.26 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.93 3dwf h GLN 72 Cb 0.22 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3dwf h GLN 72 CO -0.02 0.54 0.36 0.87 -0.67 0.00 0.00 178.83 179.91 3dwf h LYS 73 N 0.84 0.71 -0.66 1.46 1.57 -1.12 -1.67 116.57 117.70 3dwf h LYS 73 Ca 0.23 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3dwf h LYS 73 Cb -0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3dwf h LYS 73 CO -0.06 0.47 0.40 0.28 -0.57 0.00 0.00 179.45 179.98 3dwf h VAL 74 N 0.73 1.19 -0.64 0.50 2.07 -0.81 -1.60 116.25 117.69 3dwf h VAL 74 Ca 0.21 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3dwf h VAL 74 Cb -0.06 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3dwf h VAL 74 CO -0.06 0.19 0.25 0.58 0.02 0.00 0.00 177.57 178.56 3dwf h VAL 75 N 0.90 1.24 -0.31 2.57 2.07 -0.81 -0.31 116.25 121.60 3dwf h VAL 75 Ca 0.24 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3dwf h VAL 75 Cb -0.04 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dwf h VAL 75 CO -0.05 0.29 0.15 0.00 0.02 0.00 0.00 177.57 177.99 3dwf h ALA 76 N 1.10 0.40 -0.25 1.67 0.00 -1.00 -1.98 119.26 119.20 3dwf h ALA 76 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dwf h ALA 76 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dwf h ALA 76 CO -0.02 -0.05 0.13 -0.09 0.00 0.00 0.00 179.25 179.22 3dwf h ARG 77 N 0.37 0.35 -0.94 0.00 9.65 -1.09 -2.28 114.38 120.44 3dwf h ARG 77 Ca 0.11 -0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.10 3dwf h ARG 77 Cb 0.11 -0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 28.52 3dwf h ARG 77 CO -0.01 0.33 0.54 0.00 2.80 0.00 0.00 179.97 183.63 3dwf h LEU 79 N 0.75 0.16 -1.03 0.00 3.38 -1.06 -1.37 115.31 116.15 3dwf h LEU 79 Ca 0.52 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3dwf h LEU 79 Cb 0.73 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 3dwf h LEU 79 CO -0.36 0.43 0.64 -0.33 0.09 0.00 0.00 178.44 178.92 3dwf h GLU 80 N -0.11 1.04 0.00 1.13 5.08 -0.82 -2.37 114.58 118.53 3dwf h GLU 80 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dwf h GLU 80 Cb 0.35 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dwf h GLU 80 CO 0.00 0.69 0.00 -0.07 -1.00 0.00 0.00 179.01 178.63 3dwf h LEU 81 N 1.07 0.00 0.00 1.33 3.38 -0.21 -3.46 115.31 117.42 3dwf h LEU 81 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3dwf h LEU 81 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dwf h LEU 81 CO -0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.92 3dwf n GLY 82 N -0.10 1.75 3.69 0.83 0.00 -0.85 -4.09 105.19 106.43 3dwf n GLY 82 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3dwf n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwf n ALA 83 N -0.44 1.05 -0.17 4.61 0.00 -0.57 -3.87 120.51 121.12 3dwf n ALA 83 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 3dwf n ALA 83 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3dwf n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwf h ALA 84 N 1.55 0.68 -2.88 0.00 0.00 -1.35 -3.46 119.26 113.80 3dwf h ALA 84 Ca -0.48 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 3dwf h ALA 84 Cb 1.31 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 3dwf h ALA 84 CO 0.57 0.62 0.16 -1.54 0.00 0.00 0.00 179.25 179.06 3dwf s SER 85 N -6.62 -0.52 -0.19 0.00 1.04 -1.25 -4.95 113.70 101.22 3dwf s SER 85 Ca -0.12 0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 3dwf s SER 85 Cb 0.12 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.88 3dwf s SER 85 CO 0.86 -0.92 0.44 0.00 0.98 0.00 0.00 173.24 174.60 3dwf s ALA 86 N -3.54 -1.17 0.20 5.32 0.00 -1.26 -1.19 121.76 120.12 3dwf s ALA 86 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.60 3dwf s ALA 86 Cb -0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3dwf s ALA 86 CO -0.11 -0.40 0.04 -1.01 0.00 0.00 0.00 175.76 174.28 3dwf s HIS 87 N 1.72 1.28 0.05 0.00 3.76 -0.78 -5.01 115.29 116.32 3dwf s HIS 87 Ca -0.08 -1.10 0.03 0.00 -0.15 0.00 0.00 55.06 53.77 3dwf s HIS 87 Cb -0.09 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3dwf s HIS 87 CO -0.14 -0.29 -0.10 1.52 -0.85 0.00 0.00 174.74 174.89 3dwf s TYR 88 N -3.73 0.85 -0.07 1.40 -0.85 -1.26 -1.35 117.35 112.33 3dwf s TYR 88 Ca 0.29 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3dwf s TYR 88 Cb 0.07 -0.50 0.02 0.00 0.38 0.00 0.00 41.96 41.94 3dwf s TYR 88 CO 0.07 -0.04 -0.04 0.42 -1.52 0.00 0.00 175.55 174.44 3dwf s ILE 89 N -1.30 0.63 -0.15 -3.49 1.01 -0.81 -4.96 121.20 112.13 3dwf s ILE 89 Ca -0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 3dwf s ILE 89 Cb -0.10 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3dwf s ILE 89 CO 0.01 0.28 0.14 0.00 0.00 0.00 0.00 174.94 175.36 3dwf s ALA 90 N 1.41 3.81 0.00 9.38 0.00 -1.26 -3.72 121.76 131.38 3dwf s ALA 90 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3dwf s ALA 90 Cb -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3dwf s ALA 90 CO -0.03 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.60 3dwf n GLY 91 N 2.50 1.03 3.81 0.00 0.00 -0.50 -4.99 105.19 107.04 3dwf n GLY 91 Ca -0.19 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3dwf n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwf s SER 92 N 0.00 6.74 0.00 1.61 0.15 -1.26 -3.62 113.70 117.32 3dwf s SER 92 Ca 0.00 0.87 0.32 0.00 0.70 0.00 0.00 55.95 57.84 3dwf s SER 92 Cb 0.00 -2.24 1.80 0.00 -1.71 0.00 0.00 66.02 63.87 3dwf s SER 92 CO 0.00 0.26 2.17 0.23 1.20 0.00 0.00 173.24 177.10 3dwf n MET 93 N 2.29 1.04 0.17 5.44 0.00 -1.26 -2.50 117.12 122.30 3dwf n MET 93 Ca -0.13 -0.10 0.13 0.00 0.00 0.00 0.00 57.70 57.60 3dwf n MET 93 Cb 0.52 -1.50 0.39 0.00 0.00 0.00 0.00 33.22 32.64 3dwf n MET 93 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3dwf h GLU 94 N 0.24 0.00 -4.81 0.03 4.81 -1.92 -3.42 114.58 109.52 3dwf h GLU 94 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 3dwf h GLU 94 Cb 0.06 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.26 3dwf h GLU 94 CO 0.00 0.00 -0.28 0.34 -0.73 0.00 0.00 179.01 178.34 3dwf s ASP 95 N -5.17 6.17 0.28 1.04 -1.08 -1.04 -4.96 116.67 111.92 3dwf s ASP 95 Ca 0.07 -0.62 0.10 0.00 -0.52 0.00 0.00 52.55 51.59 3dwf s ASP 95 Cb 0.09 -2.20 0.39 0.00 -1.46 0.00 0.00 42.92 39.73 3dwf s ASP 95 CO 0.57 -0.49 1.63 0.24 0.52 0.00 0.00 175.17 177.64 3dwf h MET 96 N 8.64 0.02 -0.57 4.34 2.86 -1.86 -2.33 114.93 126.02 3dwf h MET 96 Ca -0.27 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 3dwf h MET 96 Cb 1.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 3dwf h MET 96 CO 0.75 0.60 0.28 1.15 1.06 0.00 0.00 176.91 180.75 3dwf h THR 97 N 0.01 1.21 0.18 2.22 2.02 -1.95 -1.88 112.91 114.72 3dwf h THR 97 Ca -0.01 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3dwf h THR 97 Cb 1.05 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3dwf h THR 97 CO 0.08 0.24 -0.09 0.15 0.37 0.00 0.00 175.52 176.27 3dwf h PHE 98 N 0.78 -0.22 -0.74 3.16 3.57 -1.79 -0.35 116.94 121.35 3dwf h PHE 98 Ca 0.20 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.86 3dwf h PHE 98 Cb 0.12 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 38.81 3dwf h PHE 98 CO -0.00 -0.06 0.01 0.00 -2.23 0.00 0.00 178.31 176.03 3dwf h ALA 99 N 0.47 0.78 -0.03 2.41 0.00 -1.30 0.83 119.26 122.41 3dwf h ALA 99 Ca -0.02 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dwf h ALA 99 Cb 0.26 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dwf h ALA 99 CO 0.04 -0.42 0.00 1.49 0.00 0.00 0.00 179.25 180.37 3dwf h GLU 100 N 0.11 0.06 -0.10 0.00 4.81 -1.17 -3.03 114.58 115.27 3dwf h GLU 100 Ca 0.40 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3dwf h GLU 100 Cb 0.71 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3dwf h GLU 100 CO -0.64 0.33 -0.34 0.93 -0.73 0.00 0.00 179.01 178.55 3dwf h GLU 101 N -0.22 0.19 -0.82 1.92 5.08 -0.25 -2.98 114.58 117.50 3dwf h GLU 101 Ca 0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dwf h GLU 101 Cb 0.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3dwf h GLU 101 CO 0.00 0.52 0.53 0.35 -1.00 0.00 0.00 179.01 179.41 3dwf h PHE 102 N 0.17 1.04 -0.53 4.33 3.57 0.72 -1.81 116.94 124.43 3dwf h PHE 102 Ca 0.02 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3dwf h PHE 102 Cb 0.69 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3dwf h PHE 102 CO 0.01 0.67 -0.12 0.28 -2.23 0.00 0.00 178.31 176.92 3dwf h VAL 103 N 1.11 1.27 0.38 1.41 2.07 -1.40 -0.34 116.25 120.74 3dwf h VAL 103 Ca 0.30 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3dwf h VAL 103 Cb -0.11 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3dwf h VAL 103 CO -0.06 0.45 -0.18 0.00 0.02 0.00 0.00 177.57 177.79 3dwf h ALA 104 N 0.97 -0.51 -0.82 1.67 0.00 -1.50 -0.85 119.26 118.22 3dwf h ALA 104 Ca 0.14 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dwf h ALA 104 Cb 0.67 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3dwf h ALA 104 CO 0.05 -0.72 0.47 0.93 0.00 0.00 0.00 179.25 179.98 3dwf h GLU 105 N -0.65 0.78 -0.68 0.00 5.08 -1.28 -0.68 114.58 117.16 3dwf h GLU 105 Ca -0.05 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3dwf h GLU 105 Cb 0.47 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3dwf h GLU 105 CO 0.09 0.51 0.28 0.00 -1.00 0.00 0.00 179.01 178.89 3dwf h ALA 106 N 1.45 0.89 -0.67 3.43 0.00 -0.95 -0.75 119.26 122.65 3dwf h ALA 106 Ca 0.39 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3dwf h ALA 106 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3dwf h ALA 106 CO -0.24 0.50 0.21 0.78 0.00 0.00 0.00 179.25 180.50 3dwf h GLY 107 N 0.97 1.11 0.96 0.00 0.00 -0.38 -2.22 103.07 103.51 3dwf h GLY 107 Ca 0.23 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3dwf h GLY 107 CO -0.02 0.60 0.17 3.43 0.00 0.00 0.00 176.54 180.72 3dwf h ASN 108 N 1.00 0.65 -0.96 0.19 2.35 -0.82 0.90 115.58 118.88 3dwf h ASN 108 Ca 0.22 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3dwf h ASN 108 Cb 0.28 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3dwf h ASN 108 CO -0.01 0.66 0.63 -0.07 -1.65 0.00 0.00 177.43 176.99 3dwf h LEU 109 N 0.61 1.06 0.00 1.61 3.38 -0.74 -2.96 115.31 118.26 3dwf h LEU 109 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dwf h LEU 109 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dwf h LEU 109 CO -0.01 0.74 -1.11 0.23 0.09 0.00 0.00 178.44 178.38 3dwf n MET 110 N -4.42 0.54 -2.18 1.13 2.81 -0.87 -4.98 117.12 109.15 3dwf n MET 110 Ca 0.12 -0.03 -0.07 0.00 -1.81 0.00 0.00 57.70 55.91 3dwf n MET 110 Cb 0.07 -1.44 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3dwf n MET 110 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dwf n GLY 111 N 1.44 0.12 0.00 3.03 0.00 0.29 -4.91 105.19 105.16 3dwf n GLY 111 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3dwf n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwf n GLY 112 N -1.00 0.16 3.51 -0.02 0.00 -0.05 -5.00 105.19 102.79 3dwf n GLY 112 Ca -0.07 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 3dwf n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dwf s LEU 113 N 0.00 -0.86 -0.21 0.99 2.96 -1.26 -4.57 118.68 115.73 3dwf s LEU 113 Ca 0.00 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 3dwf s LEU 113 Cb 0.00 1.99 -0.18 0.00 0.50 0.00 0.00 46.19 48.50 3dwf s LEU 113 CO 0.00 -0.22 -0.10 0.47 -1.32 0.00 0.00 176.35 175.17 3dwf n ASP 114 N 5.01 1.55 -3.75 3.68 8.00 0.13 -4.20 116.55 126.98 3dwf n ASP 114 Ca -0.15 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.13 3dwf n ASP 114 Cb 0.52 0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.61 3dwf n ASP 114 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3dwf s MET 115 N -2.45 0.00 -0.34 -1.24 1.75 -0.87 -0.76 119.30 115.40 3dwf s MET 115 Ca -0.23 0.29 -0.06 0.00 -1.25 0.00 0.00 55.69 54.45 3dwf s MET 115 Cb 0.07 -0.25 0.04 0.00 2.84 0.00 0.00 34.83 37.53 3dwf s MET 115 CO 0.62 -0.19 0.09 -1.17 -0.65 0.00 0.00 175.02 173.72 3dwf s LEU 116 N 1.27 4.29 -0.51 4.11 2.96 -0.28 -1.23 118.68 129.30 3dwf s LEU 116 Ca -0.07 -1.20 -0.16 0.00 -0.22 0.00 0.00 54.13 52.47 3dwf s LEU 116 Cb -0.12 -1.84 0.09 0.00 0.50 0.00 0.00 46.19 44.82 3dwf s LEU 116 CO -0.04 -0.33 0.48 -0.63 -1.32 0.00 0.00 176.35 174.51 3dwf s ILE 117 N 1.37 5.15 -0.52 6.68 1.01 0.58 -0.75 121.20 134.73 3dwf s ILE 117 Ca -0.02 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 3dwf s ILE 117 Cb -0.20 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.07 3dwf s ILE 117 CO 0.02 -0.74 0.79 -0.76 0.00 0.00 0.00 174.94 174.25 3dwf s LEU 118 N 1.82 4.46 0.00 2.97 1.43 0.67 -2.14 118.68 127.88 3dwf s LEU 118 Ca 0.05 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3dwf s LEU 118 Cb -0.26 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3dwf s LEU 118 CO 0.06 -1.04 0.00 -3.20 0.23 0.00 0.00 176.35 172.40 3dwf n ASN 119 N 6.83 3.32 -4.68 2.29 5.15 -1.26 -1.15 115.26 125.76 3dwf n ASN 119 Ca -0.01 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 3dwf n ASN 119 Cb 0.47 0.43 0.13 0.00 -0.53 0.00 0.00 39.78 40.27 3dwf n ASN 119 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dwf n HIS 120 N -1.35 1.19 -3.53 1.20 1.44 -1.24 -4.84 115.22 108.08 3dwf n HIS 120 Ca 0.00 0.40 -0.16 0.00 -2.01 0.00 0.00 57.72 55.96 3dwf n HIS 120 Cb 0.24 -2.10 -0.05 0.00 0.12 0.00 0.00 29.99 28.19 3dwf n HIS 120 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dwf s VAL 121 N -2.10 0.01 -0.26 0.61 0.11 -1.26 -4.84 120.40 112.67 3dwf s VAL 121 Ca 0.73 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 3dwf s VAL 121 Cb -0.29 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 3dwf s VAL 121 CO 0.51 -0.05 0.19 -0.22 -3.33 0.00 0.00 175.10 172.20 3dwf s LEU 122 N -1.66 4.08 0.17 2.54 2.96 -1.26 -5.03 118.68 120.47 3dwf s LEU 122 Ca -0.08 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3dwf s LEU 122 Cb -0.01 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3dwf s LEU 122 CO 0.03 0.01 0.32 -0.31 -1.32 0.00 0.00 176.35 175.07 3dwf s TYR 123 N 1.38 3.48 0.01 5.38 2.02 -1.26 -4.94 117.35 123.43 3dwf s TYR 123 Ca 0.08 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 3dwf s TYR 123 Cb -0.15 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3dwf s TYR 123 CO 0.07 0.47 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.66 3dwf s ASN 124 N -3.24 0.78 -0.05 2.29 0.02 -1.26 -5.10 114.94 108.39 3dwf s ASN 124 Ca 0.36 -0.28 -0.38 0.00 -1.02 0.00 0.00 52.86 51.54 3dwf s ASN 124 Cb -0.11 -0.04 -0.16 0.00 0.02 0.00 0.00 41.25 40.96 3dwf s ASN 124 CO 0.29 -0.03 1.49 0.54 0.02 0.00 0.00 177.10 179.41 3dwf n ARG 125 N 2.37 1.15 -1.59 -0.60 1.74 -1.26 -4.80 116.66 113.66 3dwf n ARG 125 Ca -0.17 0.42 -0.61 0.00 -0.77 0.00 0.00 57.85 56.72 3dwf n ARG 125 Cb 0.57 -2.07 -0.09 0.00 -1.02 0.00 0.00 32.46 29.84 3dwf n ARG 125 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dwf n LEU 126 N 3.57 1.60 -3.58 0.55 4.32 -1.26 -4.88 117.00 117.31 3dwf n LEU 126 Ca 0.21 0.95 -0.14 0.00 -0.02 0.00 0.00 56.01 57.01 3dwf n LEU 126 Cb 0.17 -1.01 -0.06 0.00 -1.62 0.00 0.00 43.42 40.89 3dwf n LEU 126 CO 0.69 -0.68 0.52 0.28 -1.22 0.00 0.00 177.39 176.99 3dwf s THR 127 N 4.34 0.00 0.53 -5.08 -1.32 -0.95 -5.06 115.64 108.10 3dwf s THR 127 Ca 1.07 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 61.32 3dwf s THR 127 Cb -1.29 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 3dwf s THR 127 CO 0.70 0.00 1.36 -0.36 -2.21 0.00 0.00 174.62 174.10 3dwf s PHE 128 N -0.47 2.33 0.24 9.09 0.08 -1.26 -4.38 117.98 123.61 3dwf s PHE 128 Ca -0.04 1.37 -0.29 0.00 0.12 0.00 0.00 56.93 58.08 3dwf s PHE 128 Cb -0.02 -3.80 -0.09 0.00 -0.57 0.00 0.00 43.02 38.54 3dwf s PHE 128 CO 0.04 -2.85 0.92 0.12 -0.10 0.00 0.00 175.22 173.35 3dwf s PHE 129 N -1.30 3.96 0.00 0.36 5.36 -1.26 -4.96 117.98 120.14 3dwf s PHE 129 Ca 0.70 1.87 0.11 0.00 -0.96 0.00 0.00 56.93 58.65 3dwf s PHE 129 Cb -0.40 -2.95 0.18 0.00 -0.34 0.00 0.00 43.02 39.51 3dwf s PHE 129 CO 0.48 0.45 1.06 -2.39 -1.46 0.00 0.00 175.22 173.36 3dwf n HIS 130 N 1.44 0.00 0.00 10.12 1.44 -1.26 -5.00 115.22 121.95 3dwf n HIS 130 Ca -0.02 -0.47 0.00 0.00 -2.01 0.00 0.00 57.72 55.22 3dwf n HIS 130 Cb 0.47 0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.79 3dwf n HIS 130 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dwf n GLY 131 N 0.21 1.66 2.66 -1.39 0.00 -1.26 -5.03 105.19 102.04 3dwf n GLY 131 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3dwf n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dwf n GLU 132 N -0.55 2.77 -0.27 1.61 4.71 -1.26 -4.72 120.64 122.92 3dwf n GLU 132 Ca 0.00 -2.23 0.07 0.00 -0.01 0.00 0.00 57.16 54.99 3dwf n GLU 132 Cb 0.00 -3.00 0.31 0.00 -1.01 0.00 0.00 31.44 27.74 3dwf n GLU 132 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3dwf h ILE 133 N 3.74 0.97 -0.36 -3.67 2.04 -2.00 -1.31 117.51 116.93 3dwf h ILE 133 Ca 0.62 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 66.12 3dwf h ILE 133 Cb 0.49 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3dwf h ILE 133 CO 1.82 0.16 -0.04 0.44 0.00 0.00 0.00 178.15 180.54 3dwf h ASP 134 N 0.86 0.54 -0.54 1.72 3.32 -2.00 -0.65 116.42 119.68 3dwf h ASP 134 Ca 0.40 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3dwf h ASP 134 Cb 0.41 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3dwf h ASP 134 CO -0.17 0.64 0.01 -1.13 -1.72 0.00 0.00 179.24 176.86 3dwf h ASN 135 N 0.54 0.96 -0.62 6.45 -1.24 -1.64 -0.60 115.58 119.43 3dwf h ASN 135 Ca 0.11 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.78 3dwf h ASN 135 Cb 0.40 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 3dwf h ASN 135 CO 0.02 1.01 0.10 0.58 -1.29 0.00 0.00 177.43 177.84 3dwf h VAL 136 N 0.91 1.26 -0.11 2.57 2.07 -0.97 -1.15 116.25 120.82 3dwf h VAL 136 Ca 0.17 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3dwf h VAL 136 Cb 0.52 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3dwf h VAL 136 CO 0.03 0.38 -0.10 -0.09 0.02 0.00 0.00 177.57 177.81 3dwf h ARG 137 N 0.99 0.26 -0.44 1.57 2.43 -0.92 -2.25 114.38 116.02 3dwf h ARG 137 Ca 0.20 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3dwf h ARG 137 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3dwf h ARG 137 CO 0.01 0.66 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.84 3dwf h LYS 138 N -0.12 0.77 -0.71 0.20 3.64 -1.09 -1.07 116.57 118.20 3dwf h LYS 138 Ca 0.02 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3dwf h LYS 138 Cb 0.60 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3dwf h LYS 138 CO 0.02 0.83 0.18 0.77 -2.27 0.00 0.00 179.45 178.99 3dwf h SER 139 N 0.71 1.07 -0.07 4.20 0.02 -1.22 -1.29 113.55 116.95 3dwf h SER 139 Ca 0.13 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3dwf h SER 139 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3dwf h SER 139 CO 0.03 1.02 -0.36 -0.03 -1.14 0.00 0.00 176.83 176.35 3dwf h MET 140 N 1.07 0.57 0.26 3.45 1.85 -1.01 0.42 114.93 121.54 3dwf h MET 140 Ca 0.22 -0.27 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3dwf h MET 140 Cb 0.36 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.39 3dwf h MET 140 CO 0.00 0.85 -0.13 0.93 -0.40 0.00 0.00 176.91 178.16 3dwf h GLU 141 N 0.48 -0.34 0.06 0.39 4.39 -1.01 -0.24 114.58 118.30 3dwf h GLU 141 Ca 0.05 0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.58 3dwf h GLU 141 Cb 0.85 0.08 0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3dwf h GLU 141 CO 0.07 -0.10 -0.80 0.28 -1.16 0.00 0.00 179.01 177.30 3dwf h VAL 142 N -0.54 1.41 0.00 3.13 2.07 -1.21 -2.03 116.25 119.08 3dwf h VAL 142 Ca -0.04 -2.27 -0.11 0.00 0.82 0.00 0.00 66.70 65.11 3dwf h VAL 142 Cb 0.40 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3dwf h VAL 142 CO 0.06 0.66 -0.71 0.78 0.02 0.00 0.00 177.57 178.38 3dwf h ASN 143 N -0.07 0.00 0.00 0.57 2.35 -1.05 -3.40 115.58 113.98 3dwf h ASN 143 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3dwf h ASN 143 Cb 1.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.90 3dwf h ASN 143 CO 0.15 0.45 0.00 0.33 -1.65 0.00 0.00 177.43 176.72 3dwf n PHE 144 N -3.10 -0.09 -0.20 1.19 7.35 -0.87 -4.60 117.46 117.13 3dwf n PHE 144 Ca -0.01 0.02 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 3dwf n PHE 144 Cb 0.73 0.02 0.26 0.00 0.35 0.00 0.00 39.48 40.84 3dwf n PHE 144 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3dwf h HIS 145 N 0.00 0.92 -0.20 -5.13 3.86 -0.92 -1.95 115.15 111.72 3dwf h HIS 145 Ca 0.00 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 3dwf h HIS 145 Cb 0.00 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 3dwf h HIS 145 CO 0.00 0.58 -0.43 0.66 0.86 0.00 0.00 177.93 179.59 3dwf h SER 146 N 0.99 0.51 -0.74 2.45 4.64 -1.59 -0.94 113.55 118.88 3dwf h SER 146 Ca 0.27 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3dwf h SER 146 Cb -0.11 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.78 3dwf h SER 146 CO -0.06 0.88 0.46 -0.26 -0.87 0.00 0.00 176.83 176.98 3dwf h PHE 147 N 0.39 0.85 -0.26 4.77 -1.00 -1.62 -0.12 116.94 119.96 3dwf h PHE 147 Ca 0.03 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 3dwf h PHE 147 Cb 0.92 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 3dwf h PHE 147 CO 0.03 0.47 0.03 0.28 -1.61 0.00 0.00 178.31 177.51 3dwf h VAL 148 N 0.88 1.24 -0.36 -0.55 2.07 -1.01 -1.99 116.25 116.52 3dwf h VAL 148 Ca 0.31 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3dwf h VAL 148 Cb 0.07 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3dwf h VAL 148 CO -0.13 0.26 0.21 0.58 0.02 0.00 0.00 177.57 178.52 3dwf h VAL 149 N 0.24 1.13 -0.48 2.57 2.07 -0.86 -0.71 116.25 120.20 3dwf h VAL 149 Ca 0.08 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3dwf h VAL 149 Cb 0.36 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3dwf h VAL 149 CO 0.01 0.13 0.31 -0.07 0.02 0.00 0.00 177.57 177.97 3dwf h LEU 150 N 0.47 0.53 -0.32 2.57 3.38 -1.05 -1.19 115.31 119.70 3dwf h LEU 150 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dwf h LEU 150 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dwf h LEU 150 CO -0.02 0.39 0.16 0.28 0.09 0.00 0.00 178.44 179.34 3dwf h SER 151 N 0.64 0.41 -0.51 -0.43 0.02 -0.98 -1.40 113.55 111.30 3dwf h SER 151 Ca 0.18 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3dwf h SER 151 Cb -0.05 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3dwf h SER 151 CO -0.05 0.41 0.28 0.58 -1.14 0.00 0.00 176.83 176.91 3dwf h VAL 152 N 0.39 1.00 -0.09 2.27 2.07 -0.95 -1.14 116.25 119.80 3dwf h VAL 152 Ca 0.11 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3dwf h VAL 152 Cb 0.09 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dwf h VAL 152 CO -0.02 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 3dwf h ALA 153 N 1.25 1.60 0.00 1.67 0.00 -0.96 -2.97 119.26 119.85 3dwf h ALA 153 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dwf h ALA 153 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3dwf h ALA 153 CO -0.13 0.30 -0.64 0.00 0.00 0.00 0.00 179.25 178.78 3dwf n ALA 154 N -2.50 3.78 -0.18 0.00 0.00 -0.55 -4.51 120.51 116.55 3dwf n ALA 154 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 3dwf n ALA 154 Cb 0.25 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.69 3dwf n ALA 154 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3dwf h MET 155 N 0.00 0.71 0.04 0.00 4.05 -1.05 -0.76 114.93 117.92 3dwf h MET 155 Ca 0.00 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3dwf h MET 155 Cb 0.52 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 3dwf h MET 155 CO 0.00 0.48 -0.32 -1.35 0.23 0.00 0.00 176.91 175.96 3dwf h PRO 156 N 0.71 -0.47 -0.83 0.39 0.11 -1.79 0.12 132.00 130.24 3dwf h PRO 156 Ca 0.19 0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.41 3dwf h PRO 156 Cb -0.06 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.09 3dwf h PRO 156 CO -0.04 -0.31 0.50 0.52 -0.21 0.00 0.00 178.00 178.46 3dwf h MET 157 N -0.49 0.85 -0.32 1.05 2.86 -1.78 -1.89 114.93 115.21 3dwf h MET 157 Ca 0.05 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3dwf h MET 157 Cb 0.56 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3dwf h MET 157 CO -0.24 0.57 -0.15 -0.07 1.06 0.00 0.00 176.91 178.07 3dwf h LEU 158 N 0.88 0.56 -0.40 1.22 3.38 -0.70 -2.12 115.31 118.13 3dwf h LEU 158 Ca 0.38 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3dwf h LEU 158 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dwf h LEU 158 CO -0.20 0.74 -0.22 0.24 0.09 0.00 0.00 178.44 179.09 3dwf h MET 159 N 0.52 0.86 -0.95 1.13 2.86 -0.20 0.32 114.93 119.48 3dwf h MET 159 Ca 0.09 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 3dwf h MET 159 Cb 0.57 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3dwf h MET 159 CO 0.04 1.03 0.57 0.37 1.06 0.00 0.00 176.91 179.98 3dwf h GLN 160 N 0.68 1.29 -0.02 1.72 4.15 -1.16 -2.59 115.11 119.17 3dwf h GLN 160 Ca 0.09 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3dwf h GLN 160 Cb 0.78 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3dwf h GLN 160 CO 0.06 0.90 -0.04 -1.13 -1.93 0.00 0.00 178.83 176.70 3dwf n SER 161 N -4.35 2.09 -4.07 -0.69 3.41 -0.81 -4.94 113.62 104.25 3dwf n SER 161 Ca 0.11 -1.66 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 3dwf n SER 161 Cb 0.06 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3dwf n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwf n GLN 162 N 0.58 -3.29 0.00 4.33 6.02 0.80 -4.95 117.38 120.87 3dwf n GLN 162 Ca 0.16 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 3dwf n GLN 162 Cb 0.46 -4.76 0.00 0.00 1.02 0.00 0.00 30.24 26.95 3dwf n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dwf n GLY 163 N -1.77 -0.06 3.10 1.08 0.00 0.58 -4.73 105.19 103.39 3dwf n GLY 163 Ca -0.15 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 3dwf n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwf s SER 164 N -1.00 0.63 -0.08 1.61 0.01 0.06 -2.13 113.70 112.79 3dwf s SER 164 Ca 0.00 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.34 3dwf s SER 164 Cb 0.00 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.40 3dwf s SER 164 CO 0.00 -0.53 -0.14 -0.63 0.41 0.00 0.00 173.24 172.35 3dwf s ILE 165 N -3.53 1.31 -0.27 1.44 1.01 0.42 -1.13 121.20 120.46 3dwf s ILE 165 Ca 0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 3dwf s ILE 165 Cb 0.05 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 3dwf s ILE 165 CO -0.08 0.40 0.23 0.00 0.00 0.00 0.00 174.94 175.49 3dwf s ALA 166 N 0.75 3.55 -0.41 9.38 0.00 0.07 -0.44 121.76 134.66 3dwf s ALA 166 Ca -0.12 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 3dwf s ALA 166 Cb -0.16 -2.51 0.06 0.00 0.00 0.00 0.00 23.12 20.51 3dwf s ALA 166 CO 0.03 -0.51 0.26 0.08 0.00 0.00 0.00 175.76 175.62 3dwf s VAL 167 N 1.71 4.47 -0.26 0.00 1.01 0.34 -0.24 120.40 127.43 3dwf s VAL 167 Ca 0.09 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 3dwf s VAL 167 Cb -0.16 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3dwf s VAL 167 CO 0.10 -0.44 0.85 -0.69 0.00 0.00 0.00 175.10 174.92 3dwf s VAL 168 N 1.49 4.80 0.00 2.92 1.01 -0.30 -0.93 120.40 129.40 3dwf s VAL 168 Ca 0.03 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3dwf s VAL 168 Cb -0.22 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3dwf s VAL 168 CO 0.04 -0.14 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 3dwf n SER 169 N 6.12 0.42 -3.70 3.32 2.88 0.10 -4.87 113.62 117.90 3dwf n SER 169 Ca 0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 3dwf n SER 169 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 3dwf n SER 169 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3dwf s SER 170 N 1.00 -0.15 0.52 -3.46 0.15 -1.25 -3.08 113.70 107.43 3dwf s SER 170 Ca 0.00 -0.37 0.24 0.00 0.70 0.00 0.00 55.95 56.52 3dwf s SER 170 Cb 0.00 0.43 1.35 0.00 -1.71 0.00 0.00 66.02 66.10 3dwf s SER 170 CO 0.00 -0.80 2.00 0.58 1.20 0.00 0.00 173.24 176.23 3dwf h VAL 171 N 2.56 0.76 0.00 4.45 2.07 -1.49 0.33 116.25 124.93 3dwf h VAL 171 Ca -0.34 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3dwf h VAL 171 Cb 1.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3dwf h VAL 171 CO 0.49 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.09 3dwf n ALA 172 N -2.62 2.48 0.15 1.67 0.00 -1.26 -1.40 120.51 119.53 3dwf n ALA 172 Ca 0.09 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.50 3dwf n ALA 172 Cb 0.56 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.87 3dwf n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwf n GLY 173 N 0.63 1.77 0.00 0.00 0.00 0.12 -4.47 105.19 103.23 3dwf n GLY 173 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3dwf n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dwf n LYS 174 N 1.25 2.34 -4.21 1.61 4.76 -0.62 -4.29 118.16 118.99 3dwf n LYS 174 Ca 0.17 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 3dwf n LYS 174 Cb 0.54 -0.79 -0.10 0.00 -1.84 0.00 0.00 35.03 32.84 3dwf n LYS 174 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3dwf s ILE 175 N -1.56 0.05 0.00 -0.18 -4.36 -0.49 -5.08 121.20 109.58 3dwf s ILE 175 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3dwf s ILE 175 Cb 0.00 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3dwf s ILE 175 CO 0.00 0.00 0.05 0.42 0.24 0.00 0.00 174.94 175.65 3dwf s THR 176 N -4.10 4.47 -0.04 8.37 -4.23 -1.26 -4.17 115.64 114.67 3dwf s THR 176 Ca 0.39 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3dwf s THR 176 Cb 0.07 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3dwf s THR 176 CO 0.13 0.35 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.11 3dwf s TYR 177 N -1.16 1.44 0.36 3.99 2.02 -1.26 -5.08 117.35 117.66 3dwf s TYR 177 Ca 0.22 -0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 56.23 3dwf s TYR 177 Cb -0.12 -0.99 -0.12 0.00 -0.40 0.00 0.00 41.96 40.33 3dwf s TYR 177 CO 0.13 -0.16 1.24 -2.30 -1.57 0.00 0.00 175.55 172.89 3dwf n PRO 178 N 3.28 1.97 -0.13 -1.71 -0.02 -1.26 -3.63 135.00 133.49 3dwf n PRO 178 Ca -0.19 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3dwf n PRO 178 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3dwf n PRO 178 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dwf n LEU 179 N 0.67 0.00 -2.79 2.45 4.77 -1.26 -4.92 117.00 115.91 3dwf n LEU 179 Ca 0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 3dwf n LEU 179 Cb 0.37 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3dwf n LEU 179 CO 0.61 0.00 -0.01 2.30 -1.33 0.00 0.00 177.39 178.96 3dwf n ILE 180 N -2.03 1.16 -0.13 -0.08 -5.35 -1.24 -2.24 119.36 109.45 3dwf n ILE 180 Ca 0.00 -2.88 -0.04 0.00 -0.27 0.00 0.00 62.75 59.56 3dwf n ILE 180 Cb 0.00 1.15 0.04 0.00 -1.74 0.00 0.00 39.64 39.09 3dwf n ILE 180 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dwf h ALA 181 N 2.65 0.42 -0.62 -1.28 0.00 -1.88 -0.43 119.26 118.11 3dwf h ALA 181 Ca -0.14 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dwf h ALA 181 Cb 1.25 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3dwf h ALA 181 CO 0.24 -0.38 0.37 -1.35 0.00 0.00 0.00 179.25 178.13 3dwf h PRO 182 N 0.13 0.85 -0.23 0.00 0.11 -1.93 -1.50 132.00 129.42 3dwf h PRO 182 Ca 0.22 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 3dwf h PRO 182 Cb 0.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3dwf h PRO 182 CO -0.35 0.61 0.09 -0.92 -0.21 0.00 0.00 178.00 177.22 3dwf h TYR 183 N 0.85 0.37 -0.68 0.65 3.20 -1.86 -3.08 116.97 116.42 3dwf h TYR 183 Ca 0.22 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3dwf h TYR 183 Cb -0.01 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3dwf h TYR 183 CO -0.02 0.41 0.24 1.03 -1.64 0.00 0.00 178.16 178.18 3dwf h SER 184 N 0.22 0.96 -0.58 -2.11 0.87 -0.88 -1.92 113.55 110.10 3dwf h SER 184 Ca 0.08 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3dwf h SER 184 Cb 0.20 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 3dwf h SER 184 CO -0.00 0.89 0.27 0.00 -0.53 0.00 0.00 176.83 177.45 3dwf h ALA 185 N 1.11 0.75 -0.20 6.23 0.00 -1.27 0.10 119.26 125.98 3dwf h ALA 185 Ca 0.22 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3dwf h ALA 185 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dwf h ALA 185 CO -0.01 -0.11 -0.45 0.66 0.00 0.00 0.00 179.25 179.34 3dwf h SER 186 N 0.50 0.55 0.03 0.00 4.64 -1.38 -0.76 113.55 117.12 3dwf h SER 186 Ca 0.27 -0.26 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 3dwf h SER 186 Cb 0.25 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3dwf h SER 186 CO -0.22 0.92 -0.86 0.11 -0.87 0.00 0.00 176.83 175.91 3dwf h LYS 187 N 0.41 0.65 -0.46 4.77 1.79 -0.86 -2.35 116.57 120.51 3dwf h LYS 187 Ca 0.03 -0.59 0.03 0.00 -2.18 0.00 0.00 60.65 57.94 3dwf h LYS 187 Cb 0.95 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 3dwf h LYS 187 CO 0.08 1.20 0.26 0.74 -1.08 0.00 0.00 179.45 180.65 3dwf h PHE 188 N 0.41 0.48 -0.77 -1.35 -1.00 -0.75 -2.62 116.94 111.35 3dwf h PHE 188 Ca -0.07 0.02 0.13 0.00 2.81 0.00 0.00 57.97 60.86 3dwf h PHE 188 Cb 1.48 -0.15 -0.09 0.00 3.61 0.00 0.00 35.95 40.80 3dwf h PHE 188 CO 0.08 0.27 0.36 0.00 -1.61 0.00 0.00 178.31 177.41 3dwf h ALA 189 N 1.22 1.11 -0.75 2.45 0.00 -1.02 -1.19 119.26 121.08 3dwf h ALA 189 Ca 0.19 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3dwf h ALA 189 Cb 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3dwf h ALA 189 CO -0.11 -0.12 0.48 -0.07 0.00 0.00 0.00 179.25 179.43 3dwf h LEU 190 N 0.55 0.80 0.18 0.00 3.38 -1.06 -0.53 115.31 118.63 3dwf h LEU 190 Ca 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 3dwf h LEU 190 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dwf h LEU 190 CO -0.35 0.56 -0.08 -0.78 0.09 0.00 0.00 178.44 177.88 3dwf h ASP 191 N 0.95 -0.20 -0.39 -0.43 3.58 -0.99 -0.86 116.42 118.09 3dwf h ASP 191 Ca 0.30 -0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.74 3dwf h ASP 191 Cb -0.02 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.01 3dwf h ASP 191 CO -0.10 -0.04 -0.15 1.23 -2.88 0.00 0.00 179.24 177.30 3dwf h GLY 192 N -0.35 0.17 0.49 -0.78 0.00 -0.92 -1.42 103.07 100.27 3dwf h GLY 192 Ca -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3dwf h GLY 192 CO 0.04 -0.18 -0.22 -2.75 0.00 0.00 0.00 176.54 173.43 3dwf h PHE 193 N -0.07 -0.58 0.00 5.60 3.57 -0.95 -2.83 116.94 121.68 3dwf h PHE 193 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3dwf h PHE 193 Cb 0.37 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3dwf h PHE 193 CO -0.39 -0.33 -0.28 0.74 -2.23 0.00 0.00 178.31 175.82 3dwf h PHE 194 N -1.14 0.00 -0.14 0.41 0.04 -1.22 -1.05 116.94 113.83 3dwf h PHE 194 Ca -0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.55 3dwf h PHE 194 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3dwf h PHE 194 CO 0.01 0.28 -0.56 0.77 -0.60 0.00 0.00 178.31 178.21 3dwf h SER 195 N 0.00 0.49 -0.34 2.17 0.02 -1.35 -0.86 113.55 113.68 3dwf h SER 195 Ca -0.00 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 3dwf h SER 195 Cb 0.57 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3dwf h SER 195 CO 0.04 0.95 -0.22 0.74 -1.14 0.00 0.00 176.83 177.20 3dwf h THR 196 N 0.34 1.29 -0.46 -2.27 2.02 -1.16 -2.67 112.91 109.99 3dwf h THR 196 Ca 0.00 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 3dwf h THR 196 Cb 1.09 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3dwf h THR 196 CO 0.10 0.44 0.25 0.25 0.37 0.00 0.00 175.52 176.93 3dwf h LEU 197 N 0.53 0.58 -0.40 2.58 5.85 -1.06 -1.95 115.31 121.42 3dwf h LEU 197 Ca 0.07 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3dwf h LEU 197 Cb 0.77 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3dwf h LEU 197 CO 0.06 0.50 0.10 -0.09 -0.34 0.00 0.00 178.44 178.67 3dwf h ARG 198 N 0.61 0.23 -0.76 1.25 2.43 -1.14 0.39 114.38 117.37 3dwf h ARG 198 Ca 0.16 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3dwf h ARG 198 Cb 0.05 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3dwf h ARG 198 CO -0.03 0.15 0.50 0.77 -1.51 0.00 0.00 179.97 179.85 3dwf h SER 199 N 0.23 0.78 -0.22 -3.80 0.02 -1.10 -0.48 113.55 108.98 3dwf h SER 199 Ca 0.19 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3dwf h SER 199 Cb 0.22 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3dwf h SER 199 CO -0.24 0.53 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.43 3dwf h GLU 200 N 0.90 0.54 -0.67 3.45 5.08 -0.57 -1.72 114.58 121.59 3dwf h GLU 200 Ca 0.31 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3dwf h GLU 200 Cb 0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3dwf h GLU 200 CO -0.09 0.87 0.44 0.74 -1.00 0.00 0.00 179.01 179.97 3dwf h PHE 201 N 0.23 0.69 -0.09 4.33 -1.00 -0.29 0.42 116.94 121.22 3dwf h PHE 201 Ca 0.03 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 3dwf h PHE 201 Cb 0.78 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 3dwf h PHE 201 CO 0.08 0.37 -0.13 -0.07 -1.61 0.00 0.00 178.31 176.95 3dwf h LEU 202 N 0.68 0.27 -1.35 1.54 3.38 -0.94 0.23 115.31 119.13 3dwf h LEU 202 Ca 0.29 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3dwf h LEU 202 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dwf h LEU 202 CO -0.09 0.74 0.28 0.58 0.09 0.00 0.00 178.44 180.03 3dwf h VAL 203 N -0.18 1.16 -0.28 1.22 2.07 -0.83 -2.08 116.25 117.34 3dwf h VAL 203 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3dwf h VAL 203 Cb 0.67 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3dwf h VAL 203 CO 0.03 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.39 3dwf n ASN 204 N -4.40 2.65 -3.24 0.57 3.02 0.09 -4.95 115.26 109.00 3dwf n ASN 204 Ca 0.05 -1.87 -0.23 0.00 -0.03 0.00 0.00 54.58 52.49 3dwf n ASN 204 Cb 0.10 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 3dwf n ASN 204 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dwf n LYS 205 N 0.97 -4.06 -2.56 3.52 5.02 -0.08 -4.95 118.16 116.03 3dwf n LYS 205 Ca 0.18 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.69 3dwf n LYS 205 Cb 0.48 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.05 3dwf n LYS 205 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dwf s VAL 206 N -3.03 4.49 -0.86 -0.18 1.01 0.63 -4.96 120.40 117.49 3dwf s VAL 206 Ca 0.37 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 64.11 3dwf s VAL 206 Cb -0.18 -4.15 0.22 0.00 0.00 0.00 0.00 36.38 32.27 3dwf s VAL 206 CO 0.45 -0.01 2.27 -3.20 0.00 0.00 0.00 175.10 174.61 3dwf n ASN 207 N 5.23 7.29 -4.30 3.32 5.15 -1.26 -4.56 115.26 126.12 3dwf n ASN 207 Ca 0.10 -3.50 -0.35 0.00 -0.60 0.00 0.00 54.58 50.23 3dwf n ASN 207 Cb 0.47 -1.19 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 3dwf n ASN 207 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dwf s VAL 208 N -3.41 3.25 0.28 3.44 1.01 -1.26 -4.13 120.40 119.57 3dwf s VAL 208 Ca 0.52 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 3dwf s VAL 208 Cb 0.33 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 3dwf s VAL 208 CO -0.24 0.44 0.78 -0.94 0.00 0.00 0.00 175.10 175.14 3dwf s SER 209 N 1.40 7.04 -0.21 3.32 1.04 -0.91 -4.95 113.70 120.43 3dwf s SER 209 Ca 0.05 1.48 0.01 0.00 0.48 0.00 0.00 55.95 57.97 3dwf s SER 209 Cb -0.14 -2.45 0.05 0.00 0.10 0.00 0.00 66.02 63.58 3dwf s SER 209 CO -0.04 -0.06 -0.08 -0.63 0.98 0.00 0.00 173.24 173.40 3dwf s ILE 210 N -1.69 1.57 -0.28 -1.02 1.01 -1.26 -0.44 121.20 119.09 3dwf s ILE 210 Ca 0.48 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 3dwf s ILE 210 Cb -0.15 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3dwf s ILE 210 CO 0.20 0.08 0.07 -0.89 0.00 0.00 0.00 174.94 174.41 3dwf s THR 211 N 1.41 4.00 -0.29 2.92 2.01 0.42 -4.47 115.64 121.64 3dwf s THR 211 Ca -0.03 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 3dwf s THR 211 Cb -0.17 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 3dwf s THR 211 CO -0.07 0.15 0.61 -0.22 -0.69 0.00 0.00 174.62 174.40 3dwf s LEU 212 N 1.52 4.13 -0.27 4.42 2.96 0.06 -0.50 118.68 131.00 3dwf s LEU 212 Ca 0.04 0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 3dwf s LEU 212 Cb -0.17 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3dwf s LEU 212 CO 0.02 -0.44 0.27 0.00 -1.32 0.00 0.00 176.35 174.88 3dwf s ILE 214 N 1.81 4.38 -0.09 0.00 -1.09 0.77 0.00 121.20 126.99 3dwf s ILE 214 Ca 0.11 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.61 3dwf s ILE 214 Cb -0.16 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 3dwf s ILE 214 CO 0.10 -0.20 0.01 -0.76 -1.23 0.00 0.00 174.94 172.86 3dwf s LEU 215 N 1.52 3.61 0.00 2.97 1.43 -1.18 -1.13 118.68 125.91 3dwf s LEU 215 Ca 0.01 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3dwf s LEU 215 Cb -0.19 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dwf s LEU 215 CO 0.06 0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.62 3dwf n GLY 216 N 2.16 -0.55 3.67 -3.19 0.00 -0.07 -1.28 105.19 105.93 3dwf n GLY 216 Ca -0.19 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3dwf n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dwf s LEU 217 N 0.00 4.40 -0.01 0.99 2.96 -1.26 -4.90 118.68 120.84 3dwf s LEU 217 Ca 0.00 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 3dwf s LEU 217 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3dwf s LEU 217 CO 0.00 -1.00 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.30 3dwf s ILE 218 N 3.84 3.40 -0.38 6.68 -1.09 -1.26 -0.15 121.20 132.24 3dwf s ILE 218 Ca 0.82 -0.78 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 3dwf s ILE 218 Cb -0.41 -2.43 -0.22 0.00 -1.58 0.00 0.00 42.46 37.83 3dwf s ILE 218 CO 0.37 0.46 3.44 -0.90 -1.23 0.00 0.00 174.94 177.09 3dwf n ASP 219 N 1.83 6.07 -4.85 3.58 5.68 0.26 -4.60 116.55 124.53 3dwf n ASP 219 Ca -0.16 -2.53 -0.32 0.00 -0.50 0.00 0.00 54.79 51.27 3dwf n ASP 219 Cb 0.52 -1.44 -0.04 0.00 -1.14 0.00 0.00 41.12 39.02 3dwf n ASP 219 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3dwf s THR 220 N 1.11 4.57 0.26 2.12 -4.23 -1.26 -4.72 115.64 113.49 3dwf s THR 220 Ca 0.67 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 62.28 3dwf s THR 220 Cb 0.29 -3.70 0.24 0.00 1.34 0.00 0.00 72.50 70.67 3dwf s THR 220 CO -0.02 -0.58 1.83 -0.08 -0.54 0.00 0.00 174.62 175.23 3dwf h GLU 221 N 1.19 0.89 -0.32 3.99 4.81 -2.00 -1.42 114.58 121.73 3dwf h GLU 221 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3dwf h GLU 221 Cb 1.18 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3dwf h GLU 221 CO 0.62 0.59 0.09 1.15 -0.73 0.00 0.00 179.01 180.73 3dwf h THR 222 N 0.92 1.21 -0.19 0.32 2.02 -1.95 -2.10 112.91 113.14 3dwf h THR 222 Ca 0.43 -0.71 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 3dwf h THR 222 Cb 0.37 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3dwf h THR 222 CO -0.24 0.24 -0.46 0.00 0.37 0.00 0.00 175.52 175.43 3dwf h ALA 223 N 0.92 0.85 -0.37 6.16 0.00 -1.74 -2.26 119.26 122.82 3dwf h ALA 223 Ca 0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3dwf h ALA 223 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dwf h ALA 223 CO -0.00 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 3dwf h ILE 224 N 0.39 1.27 -0.53 0.00 1.08 -1.20 -2.42 117.51 116.10 3dwf h ILE 224 Ca 0.03 -1.11 -0.04 0.00 -0.39 0.00 0.00 64.86 63.35 3dwf h ILE 224 Cb 0.96 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 3dwf h ILE 224 CO 0.08 0.37 0.17 0.11 -0.69 0.00 0.00 178.15 178.20 3dwf h LYS 225 N 0.50 0.82 -0.51 2.37 1.57 -1.36 -2.93 116.57 117.03 3dwf h LYS 225 Ca 0.10 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3dwf h LYS 225 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3dwf h LYS 225 CO 0.03 0.75 -0.12 0.00 -0.57 0.00 0.00 179.45 179.54 3dwf h ALA 226 N 1.03 0.82 -0.00 3.86 0.00 -1.31 -2.83 119.26 120.83 3dwf h ALA 226 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dwf h ALA 226 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dwf h ALA 226 CO -0.01 0.66 -0.18 0.25 0.00 0.00 0.00 179.25 179.97 3dwf n THR 227 N -4.14 0.00 -1.65 0.00 -2.24 -0.92 -4.49 114.28 100.84 3dwf n THR 227 Ca 0.01 -0.07 -0.50 0.00 -2.27 0.00 0.00 64.05 61.22 3dwf n THR 227 Cb 0.40 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 3dwf n THR 227 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dwf n SER 228 N -0.94 3.09 0.00 3.42 2.88 -1.07 -1.04 113.62 119.97 3dwf n SER 228 Ca 0.13 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3dwf n SER 228 Cb 0.31 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3dwf n SER 228 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwf n GLY 229 N 4.79 0.44 0.98 0.46 0.00 -1.26 -4.80 105.19 105.80 3dwf n GLY 229 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3dwf n GLY 229 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dwf n ILE 230 N -2.74 0.73 -3.79 -0.61 5.41 -0.21 -5.00 119.36 113.15 3dwf n ILE 230 Ca 0.00 0.21 -0.36 0.00 1.00 0.00 0.00 62.75 63.60 3dwf n ILE 230 Cb 0.09 -1.58 -0.13 0.00 -0.71 0.00 0.00 39.64 37.31 3dwf n ILE 230 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3dwf s TYR 231 N -2.04 3.08 -1.23 1.39 5.04 -0.42 -4.99 117.35 118.19 3dwf s TYR 231 Ca -0.02 -0.78 0.29 0.00 -2.44 0.00 0.00 57.07 54.12 3dwf s TYR 231 Cb 0.00 -2.21 1.19 0.00 0.35 0.00 0.00 41.96 41.29 3dwf s TYR 231 CO 0.02 -0.50 1.86 1.28 -1.34 0.00 0.00 175.55 176.88 3dwf n LEU 232 N 4.87 0.17 -4.60 6.97 4.77 -1.26 -4.79 117.00 123.14 3dwf n LEU 232 Ca -0.16 0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 3dwf n LEU 232 Cb 0.50 -0.35 0.20 0.00 -2.33 0.00 0.00 43.42 41.44 3dwf n LEU 232 CO 0.31 0.04 0.62 -0.83 -1.33 0.00 0.00 177.39 176.19 3dwf s GLY 233 N -2.80 1.63 0.73 -0.72 0.00 -1.26 -5.01 107.32 99.90 3dwf s GLY 233 Ca 0.20 0.32 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 3dwf s GLY 233 CO 0.53 0.86 1.08 -4.14 0.00 0.00 0.00 173.10 171.43 3dwf s PRO 234 N -4.57 2.62 0.00 2.90 0.02 -1.26 -5.08 135.00 129.63 3dwf s PRO 234 Ca 0.67 0.68 0.08 0.00 0.02 0.00 0.00 61.00 62.45 3dwf s PRO 234 Cb -0.24 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 3dwf s PRO 234 CO 0.61 -1.25 -0.23 0.00 -0.33 0.00 0.00 177.00 175.79 3dwf s ALA 235 N -3.18 1.96 0.19 -1.55 0.00 -1.26 -4.46 121.76 113.46 3dwf s ALA 235 Ca 0.59 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3dwf s ALA 235 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3dwf s ALA 235 CO 0.54 0.47 0.40 -1.12 0.00 0.00 0.00 175.76 176.05 3dwf s SER 236 N -0.74 6.41 0.33 0.00 0.01 0.79 -4.79 113.70 115.71 3dwf s SER 236 Ca 0.09 0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 3dwf s SER 236 Cb -0.09 -2.03 -0.10 0.00 0.21 0.00 0.00 66.02 64.01 3dwf s SER 236 CO -0.00 -0.03 1.29 -2.84 0.41 0.00 0.00 173.24 172.06 3dwf s PRO 237 N -3.21 4.37 0.22 12.44 0.02 -1.26 -0.57 135.00 147.01 3dwf s PRO 237 Ca 0.39 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.62 3dwf s PRO 237 Cb -0.11 -3.07 0.19 0.00 0.02 0.00 0.00 34.50 31.53 3dwf s PRO 237 CO 0.28 -0.16 1.52 1.57 -0.33 0.00 0.00 177.00 179.89 3dwf h LYS 238 N 3.40 0.25 -0.22 5.54 2.10 -1.94 -2.78 116.57 122.93 3dwf h LYS 238 Ca -0.49 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 57.97 3dwf h LYS 238 Cb 1.23 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3dwf h LYS 238 CO 0.65 0.82 0.12 1.49 -2.00 0.00 0.00 179.45 180.53 3dwf h GLU 239 N 0.18 0.30 -0.17 0.07 4.81 -1.96 -0.82 114.58 116.99 3dwf h GLU 239 Ca -0.01 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3dwf h GLU 239 Cb 1.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3dwf h GLU 239 CO 0.10 0.29 -0.45 1.49 -0.73 0.00 0.00 179.01 179.70 3dwf h GLU 240 N 0.24 0.43 -0.20 1.92 4.81 -1.97 -2.67 114.58 117.13 3dwf h GLU 240 Ca 0.08 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3dwf h GLU 240 Cb 0.07 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3dwf h GLU 240 CO -0.01 0.80 0.07 0.00 -0.73 0.00 0.00 179.01 179.13 3dwf h ALA 242 N 1.12 1.18 -0.51 0.00 0.00 -1.07 -1.68 119.26 118.31 3dwf h ALA 242 Ca 0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3dwf h ALA 242 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3dwf h ALA 242 CO -0.09 0.62 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 3dwf h LEU 243 N 1.27 0.93 -1.23 0.00 5.85 -1.13 -2.38 115.31 118.62 3dwf h LEU 243 Ca 0.33 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3dwf h LEU 243 Cb -0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 3dwf h LEU 243 CO -0.07 1.04 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.58 3dwf h GLU 244 N 0.80 0.33 -0.36 1.25 4.39 -0.69 -0.55 114.58 119.75 3dwf h GLU 244 Ca 0.14 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3dwf h GLU 244 Cb 0.60 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3dwf h GLU 244 CO 0.04 0.49 -0.01 0.82 -1.16 0.00 0.00 179.01 179.19 3dwf h ILE 245 N 0.31 1.26 -0.37 3.13 2.04 -1.11 -1.51 117.51 121.25 3dwf h ILE 245 Ca 0.06 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3dwf h ILE 245 Cb 0.47 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3dwf h ILE 245 CO 0.03 0.33 0.15 0.40 0.00 0.00 0.00 178.15 179.05 3dwf h ILE 246 N 0.44 1.19 0.37 -0.67 2.04 -0.94 -2.27 117.51 117.69 3dwf h ILE 246 Ca 0.10 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3dwf h ILE 246 Cb 0.47 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3dwf h ILE 246 CO 0.02 0.21 -0.18 0.11 0.00 0.00 0.00 178.15 178.31 3dwf h LYS 247 N 0.46 -0.48 -0.34 2.37 1.57 -1.06 0.03 116.57 119.11 3dwf h LYS 247 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3dwf h LYS 247 Cb 0.19 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3dwf h LYS 247 CO -0.01 -0.32 0.22 0.78 -0.57 0.00 0.00 179.45 179.56 3dwf h GLY 248 N -0.51 0.48 0.99 3.86 0.00 -1.26 0.97 103.07 107.60 3dwf h GLY 248 Ca -0.05 -0.18 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 3dwf h GLY 248 CO 0.08 0.18 -0.85 -0.84 0.00 0.00 0.00 176.54 175.11 3dwf h THR 249 N 0.46 1.36 -0.79 4.70 2.02 -1.27 -1.07 112.91 118.31 3dwf h THR 249 Ca 0.12 -2.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.10 3dwf h THR 249 Cb -0.05 2.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 3dwf h THR 249 CO -0.03 0.66 0.48 0.00 0.37 0.00 0.00 175.52 177.01 3dwf h ALA 250 N 0.34 1.01 0.00 6.16 0.00 -0.27 -0.41 119.26 126.09 3dwf h ALA 250 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dwf h ALA 250 Cb 1.54 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dwf h ALA 250 CO 0.17 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.17 3dwf n LEU 251 N -4.48 0.00 -3.38 0.00 4.77 0.27 -4.89 117.00 109.29 3dwf n LEU 251 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 3dwf n LEU 251 Cb 0.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3dwf n LEU 251 CO 0.37 0.00 0.06 0.54 -1.33 0.00 0.00 177.39 177.03 3dwf n ARG 252 N -0.69 -5.31 -2.34 3.23 1.74 -0.16 -4.95 116.66 108.18 3dwf n ARG 252 Ca 0.09 0.74 -0.35 0.00 -0.77 0.00 0.00 57.85 57.56 3dwf n ARG 252 Cb 0.04 -5.62 -0.01 0.00 -1.02 0.00 0.00 32.46 25.85 3dwf n ARG 252 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3dwf s GLN 253 N -6.07 3.59 0.11 5.56 -0.21 -0.42 -4.88 119.66 117.33 3dwf s GLN 253 Ca 0.45 1.59 -0.16 0.00 0.02 0.00 0.00 55.36 57.27 3dwf s GLN 253 Cb -0.22 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 3dwf s GLN 253 CO 0.56 -0.65 1.55 -0.44 -2.12 0.00 0.00 175.29 174.19 3dwf h ASP 254 N 1.54 0.61 -4.94 5.90 5.19 -1.89 -3.34 116.42 119.50 3dwf h ASP 254 Ca -0.50 -0.31 -0.19 0.00 -0.62 0.00 0.00 57.03 55.41 3dwf h ASP 254 Cb 1.25 -0.16 -0.20 0.00 0.18 0.00 0.00 39.33 40.39 3dwf h ASP 254 CO 0.58 0.77 -0.71 -1.61 -3.12 0.00 0.00 179.24 175.16 3dwf s GLU 255 N -4.99 0.44 -0.11 3.56 2.02 -1.26 -0.76 118.70 117.60 3dwf s GLU 255 Ca -0.13 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 3dwf s GLU 255 Cb 0.09 0.01 0.04 0.00 0.10 0.00 0.00 34.13 34.37 3dwf s GLU 255 CO 0.78 -0.03 0.03 1.41 0.02 0.00 0.00 175.26 177.47 3dwf s MET 256 N -2.00 0.45 -0.23 1.61 1.75 -0.15 -4.90 119.30 115.84 3dwf s MET 256 Ca -0.09 -0.02 -0.09 0.00 -1.25 0.00 0.00 55.69 54.23 3dwf s MET 256 Cb -0.06 -1.34 -0.04 0.00 2.84 0.00 0.00 34.83 36.22 3dwf s MET 256 CO -0.02 -0.45 0.12 0.71 -0.65 0.00 0.00 175.02 174.73 3dwf s TYR 257 N 1.99 3.25 -0.42 4.11 2.02 -1.26 -0.16 117.35 126.89 3dwf s TYR 257 Ca 0.03 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 3dwf s TYR 257 Cb -0.14 -2.22 0.14 0.00 -0.40 0.00 0.00 41.96 39.33 3dwf s TYR 257 CO -0.06 -0.00 0.23 -0.47 -1.57 0.00 0.00 175.55 173.68 3dwf s TYR 258 N 1.03 1.65 0.00 2.71 5.04 -0.28 -4.97 117.35 122.53 3dwf s TYR 258 Ca 0.06 -2.21 0.00 0.00 -2.44 0.00 0.00 57.07 52.48 3dwf s TYR 258 Cb -0.14 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.54 3dwf s TYR 258 CO 0.04 -0.80 0.59 1.33 -1.34 0.00 0.00 175.55 175.38 3dwf n VAL 259 N 3.68 0.35 -0.87 3.14 0.24 -1.26 -0.89 118.33 122.71 3dwf n VAL 259 Ca 0.09 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3dwf n VAL 259 Cb 0.35 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 3dwf n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwf n GLY 260 N -0.18 0.50 3.42 7.63 0.00 -1.26 -4.66 105.19 110.65 3dwf n GLY 260 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 3dwf n GLY 260 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwf s SER 261 N -2.49 -0.53 0.15 1.61 0.15 -1.26 -5.03 113.70 106.30 3dwf s SER 261 Ca 0.00 0.99 0.26 0.00 0.70 0.00 0.00 55.95 57.90 3dwf s SER 261 Cb 0.00 1.01 0.94 0.00 -1.71 0.00 0.00 66.02 66.26 3dwf s SER 261 CO 0.00 -0.21 1.81 -2.11 1.20 0.00 0.00 173.24 173.93 3dwf n ARG 262 N 2.64 0.17 -0.12 5.44 1.85 -1.26 -3.97 116.66 121.41 3dwf n ARG 262 Ca -0.14 0.17 -0.18 0.00 -1.00 0.00 0.00 57.85 56.69 3dwf n ARG 262 Cb 0.56 -1.71 -0.12 0.00 -1.05 0.00 0.00 32.46 30.14 3dwf n ARG 262 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3dwf n TRP 263 N -2.02 0.07 -0.31 2.89 7.02 -1.26 -4.56 117.44 119.27 3dwf n TRP 263 Ca 0.06 0.01 0.16 0.00 -1.02 0.00 0.00 57.50 56.71 3dwf n TRP 263 Cb 0.38 -1.01 0.41 0.00 -2.42 0.00 0.00 31.31 28.67 3dwf n TRP 263 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3dwf h VAL 264 N 0.00 0.69 -0.73 -0.99 2.07 -1.98 -1.62 116.25 113.69 3dwf h VAL 264 Ca -0.57 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 66.94 3dwf h VAL 264 Cb 1.91 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3dwf h VAL 264 CO -0.08 0.11 0.52 -0.65 0.02 0.00 0.00 177.57 177.49 3dwf h PRO 265 N 0.61 0.07 0.00 1.57 0.11 -1.80 -0.17 132.00 132.39 3dwf h PRO 265 Ca 0.54 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.58 3dwf h PRO 265 Cb 1.04 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3dwf h PRO 265 CO -0.29 0.04 -0.29 1.88 -0.21 0.00 0.00 178.00 179.14 3dwf h TYR 266 N 0.07 0.00 0.00 0.65 0.05 -1.60 0.27 116.97 116.41 3dwf h TYR 266 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3dwf h TYR 266 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 3dwf h TYR 266 CO -0.00 0.27 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.27 3dwf h LEU 267 N 0.00 0.00 0.00 3.88 4.07 -1.15 -3.31 115.31 118.80 3dwf h LEU 267 Ca -0.00 -0.01 -0.33 0.00 0.08 0.00 0.00 57.88 57.61 3dwf h LEU 267 Cb 1.21 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.89 3dwf h LEU 267 CO 0.04 0.01 -2.34 0.18 -1.08 0.00 0.00 178.44 175.24 3dwf n LEU 268 N -2.42 0.01 0.00 1.67 4.77 -0.85 -4.56 117.00 115.63 3dwf n LEU 268 Ca 0.05 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3dwf n LEU 268 Cb 0.45 0.45 0.59 0.00 -2.33 0.00 0.00 43.42 42.58 3dwf n LEU 268 CO 0.31 0.45 0.91 0.61 -1.33 0.00 0.00 177.39 178.35 3dwf n GLY 269 N 1.70 -1.25 3.23 -0.72 0.00 0.92 -4.97 105.19 104.11 3dwf n GLY 269 Ca -0.30 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3dwf n GLY 269 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dwf n ASN 270 N -1.39 -6.90 -0.21 1.61 2.85 -1.26 -4.77 115.26 105.18 3dwf n ASN 270 Ca 0.09 -0.14 0.17 0.00 -0.11 0.00 0.00 54.58 54.59 3dwf n ASN 270 Cb 0.25 -4.07 0.50 0.00 1.24 0.00 0.00 39.78 37.69 3dwf n ASN 270 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3dwf h PRO 271 N 0.86 0.42 -0.60 1.20 0.11 -1.93 -1.98 132.00 130.09 3dwf h PRO 271 Ca -0.21 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.89 3dwf h PRO 271 Cb 1.14 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3dwf h PRO 271 CO 0.28 0.28 0.38 0.78 -0.21 0.00 0.00 178.00 179.51 3dwf h GLY 272 N 0.44 0.85 0.92 -0.55 0.00 -2.00 -1.89 103.07 100.85 3dwf h GLY 272 Ca 0.42 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3dwf h GLY 272 CO -0.15 0.26 0.08 -0.09 0.00 0.00 0.00 176.54 176.64 3dwf h ARG 273 N 0.76 0.60 -0.58 4.80 2.43 -1.70 -1.12 114.38 119.57 3dwf h ARG 273 Ca 0.23 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3dwf h ARG 273 Cb -0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3dwf h ARG 273 CO -0.08 0.65 0.33 0.87 -1.51 0.00 0.00 179.97 180.24 3dwf h LYS 274 N 0.45 0.80 0.30 0.20 1.57 -1.34 0.28 116.57 118.83 3dwf h LYS 274 Ca 0.11 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dwf h LYS 274 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3dwf h LYS 274 CO 0.00 0.59 -0.25 0.82 -0.57 0.00 0.00 179.45 180.05 3dwf h ILE 275 N 0.78 0.48 -0.65 1.86 2.04 -1.23 -1.95 117.51 118.83 3dwf h ILE 275 Ca 0.21 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 3dwf h ILE 275 Cb 0.02 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 3dwf h ILE 275 CO -0.04 0.00 0.23 0.24 0.00 0.00 0.00 178.15 178.59 3dwf h MET 276 N -0.56 0.38 -0.52 2.37 2.86 -0.87 -0.74 114.93 117.86 3dwf h MET 276 Ca -0.02 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3dwf h MET 276 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3dwf h MET 276 CO -0.02 0.25 -0.07 0.93 1.06 0.00 0.00 176.91 179.07 3dwf h GLU 277 N 0.40 0.93 -0.60 1.72 5.08 -0.84 0.36 114.58 121.63 3dwf h GLU 277 Ca 0.34 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3dwf h GLU 277 Cb 0.47 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3dwf h GLU 277 CO -0.35 0.96 0.17 1.49 -1.00 0.00 0.00 179.01 180.28 3dwf h GLU 278 N 0.84 0.94 0.02 2.33 4.81 -0.79 -3.09 114.58 119.64 3dwf h GLU 278 Ca 0.14 -0.21 -0.25 0.00 -0.13 0.00 0.00 59.36 58.91 3dwf h GLU 278 Cb 0.59 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.85 3dwf h GLU 278 CO 0.04 0.85 -1.02 -0.07 -0.73 0.00 0.00 179.01 178.08 3dwf h LEU 279 N 0.86 0.68 -0.78 1.64 3.38 -0.83 -3.25 115.31 117.01 3dwf h LEU 279 Ca 0.19 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3dwf h LEU 279 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dwf h LEU 279 CO -0.00 1.36 0.00 0.28 0.09 0.00 0.00 178.44 180.17 3dwf h SER 280 N 0.28 0.00 0.45 -0.43 0.02 -0.95 -2.42 113.55 110.51 3dwf h SER 280 Ca -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3dwf h SER 280 Cb 1.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 3dwf h SER 280 CO 0.19 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.81 3dwf h ALA 281 N 2.23 1.14 -0.00 3.77 0.00 -1.57 -1.54 119.26 123.29 3dwf h ALA 281 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dwf h ALA 281 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3dwf h ALA 281 CO 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.24 3dwf n ALA 282 N -2.19 2.69 1.35 0.00 0.00 -0.91 -3.39 120.51 118.07 3dwf n ALA 282 Ca -0.01 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3dwf n ALA 282 Cb 0.22 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.74 3dwf n ALA 282 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dwf n GLU 283 N -1.11 1.07 -3.47 0.00 -0.58 -0.58 -4.90 120.64 111.07 3dwf n GLU 283 Ca 0.14 -0.60 -0.38 0.00 -0.42 0.00 0.00 57.16 55.89 3dwf n GLU 283 Cb 0.27 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 3dwf n GLU 283 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3dwf s TYR 284 N -2.34 3.73 -1.28 -0.32 1.51 -1.22 -5.00 117.35 112.43 3dwf s TYR 284 Ca 0.29 1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 57.21 3dwf s TYR 284 Cb 0.20 -2.32 0.10 0.00 -0.11 0.00 0.00 41.96 39.83 3dwf s TYR 284 CO 0.46 0.61 1.67 -1.71 -1.11 0.00 0.00 175.55 175.47 3dwf n ASN 285 N 1.92 4.99 0.28 2.29 2.85 -1.26 -4.82 115.26 121.51 3dwf n ASN 285 Ca -0.13 -2.94 0.17 0.00 -0.11 0.00 0.00 54.58 51.57 3dwf n ASN 285 Cb 0.52 -1.69 0.73 0.00 1.24 0.00 0.00 39.78 40.58 3dwf n ASN 285 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 3dwf h TRP 286 N 7.35 0.00 0.00 1.20 4.06 -1.94 -1.12 115.95 125.50 3dwf h TRP 286 Ca 0.41 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.30 3dwf h TRP 286 Cb 0.86 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 3dwf h TRP 286 CO 1.33 0.02 -0.32 -0.44 -3.56 0.00 0.00 178.44 175.47 3dwf h ASP 287 N 0.00 0.00 0.08 -3.49 5.19 -1.99 0.71 116.42 116.92 3dwf h ASP 287 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dwf h ASP 287 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 3dwf h ASP 287 CO 0.00 0.32 -0.34 0.59 -3.12 0.00 0.00 179.24 176.69 3dwf n ASN 288 N -3.49 1.69 -0.09 6.45 3.02 -0.45 -3.62 115.26 118.78 3dwf n ASN 288 Ca -0.00 -1.32 -0.10 0.00 -0.03 0.00 0.00 54.58 53.14 3dwf n ASN 288 Cb 0.48 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 3dwf n ASN 288 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3dwf n VAL 289 N -0.16 1.49 0.08 2.41 0.31 -1.01 -4.17 118.33 117.28 3dwf n VAL 289 Ca 0.11 0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.52 3dwf n VAL 289 Cb 0.43 -2.31 0.16 0.00 -0.91 0.00 0.00 33.84 31.21 3dwf n VAL 289 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dwf h LEU 290 N -0.97 0.31 -0.68 7.52 3.38 -1.09 -2.56 115.31 121.23 3dwf h LEU 290 Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3dwf h LEU 290 Cb 1.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dwf h LEU 290 CO -0.02 0.77 -0.01 0.28 0.09 0.00 0.00 178.44 179.54 3dwf h SER 291 N 0.23 0.00 0.67 -0.43 0.02 -1.70 -1.95 113.55 110.38 3dwf h SER 291 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3dwf h SER 291 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3dwf h SER 291 CO 0.08 0.01 -0.17 0.59 -1.14 0.00 0.00 176.83 176.21 3dwf n ASN 292 N -3.11 0.26 -4.58 3.07 4.13 -0.99 -4.61 115.26 109.44 3dwf n ASN 292 Ca 0.02 -0.03 -0.38 0.00 1.68 0.00 0.00 54.58 55.87 3dwf n ASN 292 Cb 0.43 -0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.48 3dwf n ASN 292 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3dwf s GLU 293 N -2.84 3.52 -0.18 3.52 0.41 -0.74 -4.52 118.70 117.88 3dwf s GLU 293 Ca 0.18 -1.72 0.13 0.00 -0.41 0.00 0.00 54.97 53.16 3dwf s GLU 293 Cb 0.19 -5.44 0.38 0.00 -1.78 0.00 0.00 34.13 27.48 3dwf s GLU 293 CO 0.56 -2.78 1.20 1.63 -0.49 0.00 0.00 175.26 175.38 3dwf n LYS 294 N 8.38 1.44 -3.36 1.61 5.02 -1.26 -5.05 118.16 124.95 3dwf n LYS 294 Ca 0.47 -3.05 -0.12 0.00 -2.02 0.00 0.00 58.31 53.60 3dwf n LYS 294 Cb 0.46 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 3dwf n LYS 294 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dwf n LEU 295 N -1.14 0.00 0.00 -0.35 4.77 -1.26 -5.28 117.00 113.75 3dwf n LEU 295 Ca 0.18 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 3dwf n LEU 295 Cb 0.69 1.22 0.00 0.00 -2.33 0.00 0.00 43.42 43.01 3dwf n LEU 295 CO -0.03 -0.36 0.00 -2.11 -1.33 0.00 0.00 177.39 173.56 3dwf n ARG 298 N -0.40 0.00 0.00 3.23 -4.01 -1.26 -5.20 116.66 109.02 3dwf n ARG 298 Ca 0.04 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.97 3dwf n ARG 298 Cb 0.39 0.00 0.13 0.00 -3.04 0.00 0.00 32.46 29.94 3dwf n ARG 298 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50