#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doh h LYS 22 N 0.00 0.55 -1.50 7.34 1.57 -1.17 -3.46 116.57 119.90 3doh h LYS 22 Ca 0.00 -0.12 0.26 0.00 -1.87 0.00 0.00 60.65 58.92 3doh h LYS 22 Cb 0.00 -0.08 -0.18 0.00 0.08 0.00 0.00 32.23 32.05 3doh h LYS 22 CO 0.00 0.57 0.80 -1.54 -0.57 0.00 0.00 179.45 178.72 3doh s SER 23 N -6.72 -0.13 -0.06 0.86 1.04 -1.24 -4.98 113.70 102.46 3doh s SER 23 Ca -0.08 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 3doh s SER 23 Cb 0.15 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3doh s SER 23 CO 0.77 -0.25 0.02 0.68 0.98 0.00 0.00 173.24 175.44 3doh s VAL 24 N -2.44 0.20 -0.19 5.02 -7.23 -1.26 0.30 120.40 114.79 3doh s VAL 24 Ca 0.10 0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 3doh s VAL 24 Cb -0.00 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.56 3doh s VAL 24 CO -0.05 0.23 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.91 3doh s THR 25 N 2.04 2.23 0.14 5.32 2.01 0.68 -0.64 115.64 127.43 3doh s THR 25 Ca 0.05 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 3doh s THR 25 Cb -0.12 -1.99 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 3doh s THR 25 CO -0.04 0.46 1.07 -0.76 -0.69 0.00 0.00 174.62 174.65 3doh s LEU 26 N 1.29 4.48 -0.16 4.42 1.43 -0.27 -0.44 118.68 129.43 3doh s LEU 26 Ca 0.04 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.07 3doh s LEU 26 Cb -0.14 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3doh s LEU 26 CO -0.11 -0.20 0.04 -0.63 0.23 0.00 0.00 176.35 175.68 3doh s ILE 27 N -0.03 4.61 0.08 -0.59 -1.09 0.24 -0.09 121.20 124.33 3doh s ILE 27 Ca 0.50 -0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.87 3doh s ILE 27 Cb -0.27 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 3doh s ILE 27 CO 0.33 0.50 -0.09 0.42 -1.23 0.00 0.00 174.94 174.87 3doh s THR 28 N 0.05 3.44 -0.04 2.92 -4.23 -0.46 -1.58 115.64 115.74 3doh s THR 28 Ca 0.04 -1.13 -0.07 0.00 -1.18 0.00 0.00 61.69 59.35 3doh s THR 28 Cb -0.12 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.15 3doh s THR 28 CO 0.01 0.19 0.17 -0.75 -0.54 0.00 0.00 174.62 173.70 3doh s LYS 29 N -1.99 0.31 -0.30 3.99 2.20 -0.93 -0.90 119.74 122.13 3doh s LYS 29 Ca 0.20 0.01 -0.23 0.00 -0.36 0.00 0.00 55.97 55.60 3doh s LYS 29 Cb -0.11 0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3doh s LYS 29 CO 0.12 -0.06 0.75 0.08 -0.36 0.00 0.00 175.35 175.88 3doh s VAL 30 N -0.45 4.84 0.22 4.02 1.01 -1.26 -1.97 120.40 126.80 3doh s VAL 30 Ca -0.05 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.13 3doh s VAL 30 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3doh s VAL 30 CO 0.01 -0.20 0.17 -0.36 0.00 0.00 0.00 175.10 174.71 3doh s PHE 31 N 2.85 3.11 0.44 5.22 0.08 0.01 -4.89 117.98 124.80 3doh s PHE 31 Ca 0.31 -0.09 0.24 0.00 0.12 0.00 0.00 56.93 57.51 3doh s PHE 31 Cb -0.14 -1.43 1.24 0.00 -0.57 0.00 0.00 43.02 42.11 3doh s PHE 31 CO 0.12 0.52 1.79 -1.35 -0.10 0.00 0.00 175.22 176.20 3doh h PRO 32 N 1.80 0.26 0.00 0.24 0.11 -1.95 3.62 132.00 136.08 3doh h PRO 32 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3doh h PRO 32 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3doh h PRO 32 CO 0.61 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 3doh n GLU 33 N -4.49 0.11 0.00 1.05 4.71 -1.26 -4.29 120.64 116.46 3doh n GLU 33 Ca 0.25 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 3doh n GLU 33 Cb 0.96 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 3doh n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3doh n GLY 34 N 0.72 1.03 3.76 0.62 0.00 1.20 -4.76 105.19 107.76 3doh n GLY 34 Ca 0.05 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3doh n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3doh s GLU 35 N -1.07 4.54 0.05 1.61 2.12 -0.48 -0.81 118.70 124.65 3doh s GLU 35 Ca 0.00 1.92 -0.01 0.00 0.36 0.00 0.00 54.97 57.25 3doh s GLU 35 Cb 0.00 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3doh s GLU 35 CO 0.00 0.05 -0.03 0.15 -0.54 0.00 0.00 175.26 174.89 3doh s LYS 36 N -1.29 0.57 -0.44 4.30 1.02 -0.83 -2.29 119.74 120.77 3doh s LYS 36 Ca 0.47 -1.11 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 3doh s LYS 36 Cb -0.34 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 3doh s LYS 36 CO 0.43 -0.09 0.95 0.08 -0.92 0.00 0.00 175.35 175.80 3doh s VAL 37 N -3.42 4.47 -0.62 3.17 1.01 -0.73 -2.18 120.40 122.09 3doh s VAL 37 Ca 0.03 0.93 0.17 0.00 0.00 0.00 0.00 61.98 63.11 3doh s VAL 37 Cb 0.04 -4.43 -0.20 0.00 0.00 0.00 0.00 36.38 31.79 3doh s VAL 37 CO -0.08 -0.77 0.64 0.00 0.00 0.00 0.00 175.10 174.89 3doh s ALA 39 N -2.74 -1.50 -0.08 0.00 0.00 -1.16 -0.49 121.76 115.79 3doh s ALA 39 Ca 0.03 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.47 3doh s ALA 39 Cb 0.12 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 3doh s ALA 39 CO 0.70 -0.74 -0.24 0.08 0.00 0.00 0.00 175.76 175.56 3doh s VAL 40 N -3.69 2.06 -0.16 0.00 1.01 -0.37 0.80 120.40 120.05 3doh s VAL 40 Ca 0.01 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3doh s VAL 40 Cb -0.01 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3doh s VAL 40 CO -0.12 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.66 3doh s VAL 41 N 0.13 2.20 -0.18 2.92 1.01 0.41 -0.28 120.40 126.62 3doh s VAL 41 Ca -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3doh s VAL 41 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3doh s VAL 41 CO 0.07 0.54 0.00 -0.63 0.00 0.00 0.00 175.10 175.08 3doh s ILE 42 N 1.03 4.12 -0.37 2.22 1.01 0.41 -0.23 121.20 129.40 3doh s ILE 42 Ca -0.02 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3doh s ILE 42 Cb -0.14 -2.84 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 3doh s ILE 42 CO -0.06 0.45 0.45 -0.70 0.00 0.00 0.00 174.94 175.09 3doh s GLU 43 N 0.66 3.48 0.47 2.79 2.12 0.15 -1.11 118.70 127.26 3doh s GLU 43 Ca -0.00 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 3doh s GLU 43 Cb -0.14 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 3doh s GLU 43 CO 0.02 -0.66 0.76 0.71 -0.54 0.00 0.00 175.26 175.55 3doh s TYR 44 N 2.23 3.50 -1.78 5.30 2.02 0.42 -0.65 117.35 128.39 3doh s TYR 44 Ca 0.15 0.69 0.14 0.00 -0.37 0.00 0.00 57.07 57.68 3doh s TYR 44 Cb -0.16 -2.30 0.44 0.00 -0.40 0.00 0.00 41.96 39.54 3doh s TYR 44 CO 0.13 -0.29 1.34 -0.35 -1.57 0.00 0.00 175.55 174.81 3doh n PRO 45 N -2.22 2.31 -3.57 -1.71 -0.04 -1.26 -4.74 135.00 123.77 3doh n PRO 45 Ca 0.00 -1.76 -0.11 0.00 -0.04 0.00 0.00 63.50 61.59 3doh n PRO 45 Cb 0.56 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 3doh n PRO 45 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3doh n VAL 46 N 0.82 0.00 -3.69 0.52 3.14 -1.26 -5.13 118.33 112.72 3doh n VAL 46 Ca 0.16 -1.36 -0.39 0.00 -2.96 0.00 0.00 64.34 59.80 3doh n VAL 46 Cb 0.47 0.92 -0.12 0.00 -1.06 0.00 0.00 33.84 34.05 3doh n VAL 46 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3doh s GLU 47 N -2.53 2.81 0.13 1.45 2.02 -1.26 -4.02 118.70 117.29 3doh s GLU 47 Ca 0.22 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 3doh s GLU 47 Cb -0.02 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 3doh s GLU 47 CO 0.16 -0.63 1.05 0.42 0.02 0.00 0.00 175.26 176.29 3doh s ILE 48 N 1.48 4.18 -0.74 -1.63 -1.09 -1.05 -0.06 121.20 122.29 3doh s ILE 48 Ca 0.01 1.79 -0.26 0.00 -2.23 0.00 0.00 60.65 59.95 3doh s ILE 48 Cb -0.19 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3doh s ILE 48 CO 0.04 0.26 1.25 -0.62 -1.23 0.00 0.00 174.94 174.65 3doh s ASP 49 N 0.14 6.18 0.27 3.58 2.15 -0.85 -4.18 116.67 123.97 3doh s ASP 49 Ca 0.50 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.88 3doh s ASP 49 Cb -0.27 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.16 3doh s ASP 49 CO 0.32 -1.78 1.95 1.23 -0.17 0.00 0.00 175.17 176.72 3doh h GLY 50 N 12.81 1.30 -1.61 2.66 0.00 -1.44 -2.99 103.07 113.80 3doh h GLY 50 Ca -0.26 -0.48 0.52 0.00 0.00 0.00 0.00 47.33 47.11 3doh h GLY 50 CO 1.27 0.47 1.28 -1.61 0.00 0.00 0.00 176.54 177.95 3doh h GLN 51 N 1.25 0.01 -0.01 4.80 5.75 -1.91 0.08 115.11 125.07 3doh h GLN 51 Ca 0.34 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 3doh h GLN 51 Cb -0.14 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.41 3doh h GLN 51 CO -0.07 0.00 -0.21 1.63 -2.65 0.00 0.00 178.83 177.53 3doh n LYS 52 N -4.04 2.22 -2.06 1.69 5.02 -1.13 -4.98 118.16 114.88 3doh n LYS 52 Ca 0.41 -0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 3doh n LYS 52 Cb 1.83 -1.06 0.02 0.00 -0.02 0.00 0.00 35.03 35.80 3doh n LYS 52 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3doh s LEU 53 N -1.64 3.58 -0.07 -0.35 1.02 0.01 -4.94 118.68 116.28 3doh s LEU 53 Ca 0.08 2.04 -0.29 0.00 0.02 0.00 0.00 54.13 55.97 3doh s LEU 53 Cb 0.08 -4.56 0.07 0.00 0.02 0.00 0.00 46.19 41.79 3doh s LEU 53 CO 0.25 -1.34 0.66 -0.55 0.02 0.00 0.00 176.35 175.40 3doh s SER 54 N -2.25 -0.64 0.33 2.29 0.15 -1.26 -4.93 113.70 107.39 3doh s SER 54 Ca 0.69 0.77 0.10 0.00 0.70 0.00 0.00 55.95 58.21 3doh s SER 54 Cb -0.21 0.64 0.88 0.00 -1.71 0.00 0.00 66.02 65.62 3doh s SER 54 CO 0.33 -0.55 1.75 -0.65 1.20 0.00 0.00 173.24 175.32 3doh h PRO 55 N 3.30 0.59 0.00 5.44 0.11 -1.90 -0.90 132.00 138.65 3doh h PRO 55 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3doh h PRO 55 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3doh h PRO 55 CO 0.35 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3doh n ASP 56 N -4.80 0.00 0.06 -2.05 3.85 -1.26 -2.51 116.55 109.84 3doh n ASP 56 Ca 0.25 -0.93 0.11 0.00 -0.71 0.00 0.00 54.79 53.51 3doh n ASP 56 Cb 0.71 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.49 3doh n ASP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3doh n GLN 57 N -0.64 0.46 -4.46 0.11 6.02 -0.34 -4.91 117.38 113.63 3doh n GLN 57 Ca 0.04 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.84 3doh n GLN 57 Cb 0.02 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 29.48 3doh n GLN 57 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3doh s PHE 58 N -3.30 2.05 0.01 1.08 0.08 -1.04 0.76 117.98 117.62 3doh s PHE 58 Ca 0.01 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.39 3doh s PHE 58 Cb 0.12 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3doh s PHE 58 CO 0.80 0.32 -0.05 0.45 -0.10 0.00 0.00 175.22 176.64 3doh s SER 59 N -3.48 0.53 -0.05 1.36 0.15 0.35 -4.88 113.70 107.68 3doh s SER 59 Ca 0.31 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.75 3doh s SER 59 Cb 0.04 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.35 3doh s SER 59 CO 0.13 -0.04 -0.07 -0.69 1.20 0.00 0.00 173.24 173.77 3doh s VAL 60 N -0.51 0.75 0.10 4.45 1.01 -1.26 -1.26 120.40 123.68 3doh s VAL 60 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3doh s VAL 60 Cb -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3doh s VAL 60 CO -0.00 0.27 -0.10 -0.54 0.00 0.00 0.00 175.10 174.72 3doh s LYS 61 N 0.77 0.86 -0.05 2.72 1.02 0.04 -1.18 119.74 123.92 3doh s LYS 61 Ca -0.12 -1.16 0.07 0.00 0.02 0.00 0.00 55.97 54.77 3doh s LYS 61 Cb -0.15 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 3doh s LYS 61 CO 0.02 0.09 -0.25 0.54 -0.92 0.00 0.00 175.35 174.82 3doh s VAL 62 N -2.42 2.09 -0.22 3.17 0.11 -0.45 -1.86 120.40 120.82 3doh s VAL 62 Ca 0.06 -1.07 -0.28 0.00 -2.93 0.00 0.00 61.98 57.76 3doh s VAL 62 Cb -0.03 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 3doh s VAL 62 CO 0.00 0.57 0.98 -0.75 -3.33 0.00 0.00 175.10 172.58 3doh s LYS 63 N -0.29 4.26 -0.09 1.54 2.47 0.18 -0.82 119.74 126.98 3doh s LYS 63 Ca 0.00 1.26 -0.05 0.00 -1.56 0.00 0.00 55.97 55.62 3doh s LYS 63 Cb -0.13 -3.63 0.04 0.00 -1.46 0.00 0.00 37.83 32.66 3doh s LYS 63 CO 0.02 -0.56 0.21 0.95 0.16 0.00 0.00 175.35 176.14 3doh s THR 64 N 2.96 -0.04 -0.29 3.43 -4.23 0.28 -4.69 115.64 113.05 3doh s THR 64 Ca 0.42 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 3doh s THR 64 Cb -0.15 -0.33 0.35 0.00 1.34 0.00 0.00 72.50 73.70 3doh s THR 64 CO 0.08 0.06 1.67 0.61 -0.54 0.00 0.00 174.62 176.49 3doh n GLY 65 N 4.10 3.71 0.00 3.99 0.00 -1.26 -2.47 105.19 113.27 3doh n GLY 65 Ca -0.24 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3doh n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3doh n ASP 66 N -0.29 0.00 -4.66 1.61 2.03 -1.26 -5.11 116.55 108.87 3doh n ASP 66 Ca 0.35 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.42 3doh n ASP 66 Cb 1.01 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.33 3doh n ASP 66 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3doh s THR 67 N 0.00 2.77 0.05 5.18 -4.23 -1.03 -5.16 115.64 113.23 3doh s THR 67 Ca 0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3doh s THR 67 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3doh s THR 67 CO 0.00 -0.20 0.15 -0.31 -0.54 0.00 0.00 174.62 173.71 3doh s TYR 68 N -2.48 3.38 0.10 3.99 2.02 -1.26 -0.56 117.35 122.54 3doh s TYR 68 Ca 0.35 0.20 0.04 0.00 -0.37 0.00 0.00 57.07 57.29 3doh s TYR 68 Cb -0.01 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3doh s TYR 68 CO 0.20 0.57 -0.10 -1.54 -1.57 0.00 0.00 175.55 173.11 3doh s SER 69 N -2.30 1.48 0.45 2.29 1.04 -0.00 -4.90 113.70 111.76 3doh s SER 69 Ca 0.31 -0.81 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 3doh s SER 69 Cb -0.13 0.00 -0.09 0.00 0.10 0.00 0.00 66.02 65.91 3doh s SER 69 CO 0.23 -0.26 1.04 -0.44 0.98 0.00 0.00 173.24 174.79 3doh s SER 70 N -2.44 6.52 -0.07 7.02 0.01 -1.26 -1.35 113.70 122.13 3doh s SER 70 Ca 0.06 1.95 0.01 0.00 1.31 0.00 0.00 55.95 59.27 3doh s SER 70 Cb -0.03 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 3doh s SER 70 CO 0.00 -0.66 -0.07 -0.13 0.41 0.00 0.00 173.24 172.80 3doh s ARG 71 N -2.97 2.79 -0.38 12.44 1.81 -0.32 -4.87 118.95 127.45 3doh s ARG 71 Ca 0.64 -0.54 -0.29 0.00 -1.72 0.00 0.00 55.73 53.81 3doh s ARG 71 Cb -0.18 -2.61 0.02 0.00 -0.45 0.00 0.00 34.95 31.73 3doh s ARG 71 CO 0.22 0.65 1.09 0.99 -0.68 0.00 0.00 175.30 177.57 3doh s THR 72 N -0.76 4.41 -0.18 0.02 2.01 -1.26 -4.50 115.64 115.37 3doh s THR 72 Ca 0.12 1.54 -0.26 0.00 0.31 0.00 0.00 61.69 63.39 3doh s THR 72 Cb -0.11 -4.48 -0.01 0.00 0.01 0.00 0.00 72.50 67.91 3doh s THR 72 CO 0.02 -0.67 0.89 -0.63 -0.69 0.00 0.00 174.62 173.54 3doh s ILE 73 N 3.93 4.83 -0.19 1.82 1.01 -1.26 -0.65 121.20 130.68 3doh s ILE 73 Ca 0.46 1.74 0.14 0.00 0.00 0.00 0.00 60.65 62.99 3doh s ILE 73 Cb -0.10 -4.19 -0.23 0.00 0.01 0.00 0.00 42.46 37.95 3doh s ILE 73 CO 0.21 -0.02 0.08 0.35 0.00 0.00 0.00 174.94 175.56 3doh n THR 74 N 4.86 1.44 -3.81 2.92 -2.24 -0.12 -4.88 114.28 112.46 3doh n THR 74 Ca 0.06 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 3doh n THR 74 Cb 0.48 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 3doh n THR 74 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doh s LYS 75 N -2.51 0.60 0.07 -0.78 3.01 -1.25 -4.92 119.74 113.95 3doh s LYS 75 Ca -0.15 -0.30 0.06 0.00 -1.01 0.00 0.00 55.97 54.57 3doh s LYS 75 Cb 0.07 0.26 -0.03 0.00 -1.01 0.00 0.00 37.83 37.12 3doh s LYS 75 CO 0.78 -0.16 -0.16 0.08 0.51 0.00 0.00 175.35 176.41 3doh s VAL 76 N -1.41 1.24 0.00 3.17 1.01 -1.26 -1.56 120.40 121.59 3doh s VAL 76 Ca -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3doh s VAL 76 Cb -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3doh s VAL 76 CO 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.00 3doh n TYR 77 N 1.39 -0.01 -3.54 5.22 4.11 -0.90 -4.92 117.16 118.53 3doh n TYR 77 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.57 3doh n TYR 77 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.84 3doh n TYR 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3doh s ALA 78 N -1.00 -1.34 0.00 -3.48 0.00 -1.25 0.45 121.76 115.14 3doh s ALA 78 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3doh s ALA 78 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3doh s ALA 78 CO 0.00 -0.62 0.00 0.27 0.00 0.00 0.00 175.76 175.41 3doh n ASN 79 N 0.02 0.00 -1.82 0.00 0.23 0.16 -3.83 115.26 110.02 3doh n ASN 79 Ca -0.17 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.72 3doh n ASN 79 Cb 0.63 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.45 3doh n ASN 79 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3doh n ASN 80 N 0.00 3.52 0.00 0.53 3.02 -1.22 -1.24 115.26 119.87 3doh n ASN 80 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 3doh n ASN 80 Cb 0.00 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 3doh n ASN 80 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3doh n SER 81 N -0.59 0.00 0.00 6.41 7.64 -1.26 -5.04 113.62 120.78 3doh n SER 81 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3doh n SER 81 Cb 1.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 3doh n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3doh n GLY 82 N 3.97 0.81 0.00 0.23 0.00 -1.26 -5.07 105.19 103.87 3doh n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3doh n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3doh n GLY 83 N 0.00 -0.43 1.98 -0.02 0.00 -1.26 -4.93 105.19 100.53 3doh n GLY 83 Ca 0.00 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 3doh n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3doh n LEU 84 N 0.00 6.30 -4.51 0.99 4.77 -1.26 -4.89 117.00 118.40 3doh n LEU 84 Ca 0.00 -3.35 -0.43 0.00 -0.03 0.00 0.00 56.01 52.20 3doh n LEU 84 Cb 0.00 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 3doh n LEU 84 CO 0.00 1.09 0.68 -0.94 -1.33 0.00 0.00 177.39 176.90 3doh s SER 85 N -0.70 6.32 -0.11 -1.43 1.04 -1.26 -5.02 113.70 112.54 3doh s SER 85 Ca 0.44 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.25 3doh s SER 85 Cb 0.36 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 3doh s SER 85 CO 0.04 -1.18 0.42 0.12 0.98 0.00 0.00 173.24 173.63 3doh s PHE 86 N 3.74 3.54 -0.10 5.02 5.36 -1.26 -4.85 117.98 129.43 3doh s PHE 86 Ca 0.28 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 3doh s PHE 86 Cb -0.14 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.11 3doh s PHE 86 CO 0.18 0.27 -0.05 0.45 -1.46 0.00 0.00 175.22 174.61 3doh s SER 87 N 0.28 1.95 0.64 6.13 0.15 -1.26 -5.04 113.70 116.55 3doh s SER 87 Ca 0.23 -0.22 0.42 0.00 0.70 0.00 0.00 55.95 57.08 3doh s SER 87 Cb -0.15 -0.69 2.22 0.00 -1.71 0.00 0.00 66.02 65.69 3doh s SER 87 CO 0.09 -0.14 2.30 0.16 1.20 0.00 0.00 173.24 176.85 3doh h ILE 88 N 6.23 0.05 0.13 6.45 3.07 -1.99 -3.21 117.51 128.23 3doh h ILE 88 Ca -0.26 -0.09 -0.33 0.00 1.55 0.00 0.00 64.86 65.73 3doh h ILE 88 Cb 1.13 1.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 3doh h ILE 88 CO 0.36 0.00 -1.68 -0.26 -1.05 0.00 0.00 178.15 175.52 3doh h PHE 89 N 0.00 0.50 -3.17 0.16 0.04 -2.03 -3.39 116.94 109.05 3doh h PHE 89 Ca -0.00 -0.36 -0.59 0.00 2.80 0.00 0.00 57.97 59.82 3doh h PHE 89 Cb 0.09 -0.02 -0.40 0.00 2.20 0.00 0.00 35.95 37.82 3doh h PHE 89 CO 0.00 1.50 -0.75 0.54 -0.60 0.00 0.00 178.31 178.99 3doh s ASN 90 N -7.01 4.05 -1.31 2.17 2.20 -1.23 -5.03 114.94 108.78 3doh s ASN 90 Ca -0.13 -1.72 -0.18 0.00 -0.94 0.00 0.00 52.86 49.90 3doh s ASN 90 Cb 0.06 -0.91 0.06 0.00 -2.00 0.00 0.00 41.25 38.47 3doh s ASN 90 CO 0.84 -0.41 1.78 -3.20 -2.94 0.00 0.00 177.10 173.17 3doh n ASN 91 N 4.75 4.79 -3.65 3.54 2.85 -1.21 -4.71 115.26 121.61 3doh n ASN 91 Ca -0.01 -2.91 -0.02 0.00 -0.11 0.00 0.00 54.58 51.53 3doh n ASN 91 Cb 0.42 -1.74 -0.01 0.00 1.24 0.00 0.00 39.78 39.69 3doh n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3doh s ARG 92 N 4.25 1.04 0.01 1.20 3.03 -1.25 -1.12 118.95 126.11 3doh s ARG 92 Ca 0.54 -0.60 0.00 0.00 2.03 0.00 0.00 55.73 57.70 3doh s ARG 92 Cb 0.05 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 34.30 3doh s ARG 92 CO 0.07 -0.48 0.00 0.41 -1.13 0.00 0.00 175.30 174.17 3doh n GLY 93 N -0.53 -0.54 0.40 3.88 0.00 -1.20 0.39 105.19 107.60 3doh n GLY 93 Ca -0.06 0.09 0.27 0.00 0.00 0.00 0.00 46.02 46.32 3doh n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3doh h LYS 94 N 0.00 0.28 -5.07 1.61 3.64 -1.69 -2.79 116.57 112.54 3doh h LYS 94 Ca 0.00 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 3doh h LYS 94 Cb 0.00 -0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 31.55 3doh h LYS 94 CO 0.00 0.18 -0.61 0.71 -2.27 0.00 0.00 179.45 177.47 3doh s TYR 95 N -5.49 3.12 -0.24 1.91 2.02 -0.37 -0.44 117.35 117.86 3doh s TYR 95 Ca -0.09 -0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 56.29 3doh s TYR 95 Cb 0.28 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3doh s TYR 95 CO 0.80 -0.18 0.02 0.08 -1.57 0.00 0.00 175.55 174.70 3doh s VAL 96 N 1.16 3.82 -0.21 0.71 1.01 -0.27 -1.18 120.40 125.44 3doh s VAL 96 Ca 0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3doh s VAL 96 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3doh s VAL 96 CO 0.03 0.34 0.30 -0.69 0.00 0.00 0.00 175.10 175.08 3doh s VAL 97 N 1.53 5.27 -0.29 2.92 1.01 0.17 -0.44 120.40 130.57 3doh s VAL 97 Ca 0.06 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 3doh s VAL 97 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3doh s VAL 97 CO 0.00 0.30 0.04 -0.76 0.00 0.00 0.00 175.10 174.69 3doh s LEU 98 N 1.11 3.80 0.27 3.92 1.43 0.62 -2.11 118.68 127.73 3doh s LEU 98 Ca 0.15 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 52.06 3doh s LEU 98 Cb -0.14 -1.81 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 3doh s LEU 98 CO 0.06 -0.21 0.95 -1.61 0.23 0.00 0.00 176.35 175.77 3doh s GLU 99 N 1.41 4.74 0.13 1.70 2.02 -0.60 -1.24 118.70 126.86 3doh s GLU 99 Ca 0.00 1.44 0.06 0.00 0.02 0.00 0.00 54.97 56.50 3doh s GLU 99 Cb -0.18 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3doh s GLU 99 CO 0.01 0.41 -0.03 -0.51 0.02 0.00 0.00 175.26 175.16 3doh s LEU 100 N -1.53 3.28 0.00 1.80 1.43 0.36 -0.95 118.68 123.08 3doh s LEU 100 Ca 0.45 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 3doh s LEU 100 Cb -0.23 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3doh s LEU 100 CO 0.29 0.14 1.12 -0.55 0.23 0.00 0.00 176.35 177.58 3doh s SER 101 N -2.53 7.17 0.00 2.29 0.15 0.17 -4.83 113.70 116.13 3doh s SER 101 Ca 0.25 1.82 0.23 0.00 0.70 0.00 0.00 55.95 58.96 3doh s SER 101 Cb -0.11 -2.57 1.22 0.00 -1.71 0.00 0.00 66.02 62.85 3doh s SER 101 CO 0.17 -0.43 1.76 0.35 1.20 0.00 0.00 173.24 176.29 3doh n THR 102 N 4.12 0.22 1.15 6.45 -2.24 -1.26 -2.61 114.28 120.11 3doh n THR 102 Ca 0.08 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 3doh n THR 102 Cb 0.48 -0.68 0.24 0.00 -2.10 0.00 0.00 70.33 68.28 3doh n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3doh n GLU 103 N -1.22 0.83 -1.65 -0.78 4.71 -1.26 -4.92 120.64 116.36 3doh n GLU 103 Ca 0.12 -0.57 -0.39 0.00 -0.01 0.00 0.00 57.16 56.32 3doh n GLU 103 Cb 0.16 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 29.14 3doh n GLU 103 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3doh n ASP 104 N -0.59 1.39 0.38 1.62 8.00 -1.07 -4.94 116.55 121.35 3doh n ASP 104 Ca 0.11 0.90 -0.19 0.00 0.71 0.00 0.00 54.79 56.32 3doh n ASP 104 Cb 0.38 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 39.95 3doh n ASP 104 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3doh h LEU 105 N 0.98 -1.24 -6.13 0.64 5.85 -1.91 -3.07 115.31 110.42 3doh h LEU 105 Ca -0.48 0.08 -0.77 0.00 0.84 0.00 0.00 57.88 57.55 3doh h LEU 105 Cb 1.34 0.38 -0.19 0.00 0.37 0.00 0.00 40.66 42.56 3doh h LEU 105 CO 0.54 -0.71 1.78 1.41 -0.34 0.00 0.00 178.44 181.12 3doh n HIS 106 N -5.45 2.65 -0.08 1.25 8.25 -1.26 -4.41 115.22 116.18 3doh n HIS 106 Ca -0.14 -2.71 -0.10 0.00 -0.26 0.00 0.00 57.72 54.51 3doh n HIS 106 Cb 0.47 -1.62 -0.15 0.00 1.12 0.00 0.00 29.99 29.81 3doh n HIS 106 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3doh n SER 107 N 1.65 0.32 -4.76 0.41 3.41 -1.16 -4.96 113.62 108.52 3doh n SER 107 Ca 0.49 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.82 3doh n SER 107 Cb 0.28 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 3doh n SER 107 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3doh s ASN 108 N -5.70 6.78 0.14 4.04 -0.87 -1.26 -1.78 114.94 116.29 3doh s ASN 108 Ca -0.09 2.66 0.23 0.00 -1.57 0.00 0.00 52.86 54.09 3doh s ASN 108 Cb 0.07 -2.64 0.13 0.00 -0.02 0.00 0.00 41.25 38.78 3doh s ASN 108 CO 0.82 -0.54 1.13 0.35 -2.57 0.00 0.00 177.10 176.30 3doh n THR 109 N 1.09 0.44 -4.00 1.60 -2.24 -0.97 -4.83 114.28 105.36 3doh n THR 109 Ca 0.01 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3doh n THR 109 Cb 0.42 -0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 3doh n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3doh s ILE 110 N -3.27 4.20 -0.21 2.28 1.01 -1.26 -2.75 121.20 121.20 3doh s ILE 110 Ca 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 3doh s ILE 110 Cb 0.12 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3doh s ILE 110 CO 0.77 0.41 0.07 0.54 0.00 0.00 0.00 174.94 176.73 3doh s VAL 111 N 1.01 4.61 -1.34 2.92 0.11 0.50 -4.95 120.40 123.26 3doh s VAL 111 Ca 0.03 -0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 58.86 3doh s VAL 111 Cb -0.14 -3.11 0.10 0.00 -1.53 0.00 0.00 36.38 31.70 3doh s VAL 111 CO 0.02 0.40 1.92 2.22 -3.33 0.00 0.00 175.10 176.33 3doh n PHE 112 N 4.16 3.76 -0.49 1.54 -1.74 -1.26 -1.24 117.46 122.19 3doh n PHE 112 Ca -0.16 -2.95 -0.29 0.00 -0.56 0.00 0.00 57.45 53.49 3doh n PHE 112 Cb 0.52 -2.33 0.27 0.00 1.52 0.00 0.00 39.48 39.46 3doh n PHE 112 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3doh s GLY 113 N 2.59 1.50 -0.26 4.97 0.00 -1.25 -4.75 107.32 110.13 3doh s GLY 113 Ca 0.45 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 3doh s GLY 113 CO -0.02 0.48 3.10 -1.55 0.00 0.00 0.00 173.10 175.11 3doh n PRO 114 N -5.15 2.20 0.00 2.90 -0.05 -1.26 -4.31 135.00 129.33 3doh n PRO 114 Ca 0.05 -1.74 0.00 0.00 -0.05 0.00 0.00 63.50 61.76 3doh n PRO 114 Cb 0.56 -2.06 0.00 0.00 -0.05 0.00 0.00 33.50 31.95 3doh n PRO 114 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3doh n ASN 115 N 1.54 0.01 -3.08 3.54 3.02 -1.26 -4.97 115.26 114.07 3doh n ASN 115 Ca 0.45 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.66 3doh n ASN 115 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 3doh n ASN 115 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3doh n PHE 116 N 0.00 3.31 -3.27 3.10 3.01 -1.26 -4.99 117.46 117.36 3doh n PHE 116 Ca 0.00 -3.03 -0.06 0.00 1.01 0.00 0.00 57.45 55.37 3doh n PHE 116 Cb 0.00 -0.79 -0.05 0.00 -0.01 0.00 0.00 39.48 38.64 3doh n PHE 116 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3doh s LEU 117 N -3.89 -0.98 0.34 4.37 1.43 -1.26 -3.93 118.68 114.76 3doh s LEU 117 Ca 0.46 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3doh s LEU 117 Cb 0.30 1.33 -0.04 0.00 0.03 0.00 0.00 46.19 47.82 3doh s LEU 117 CO -0.20 -0.34 0.55 0.20 0.23 0.00 0.00 176.35 176.79 3doh s ASN 118 N 2.61 6.32 0.07 2.29 0.01 -0.84 -3.76 114.94 121.64 3doh s ASN 118 Ca 0.10 0.52 0.01 0.00 -0.71 0.00 0.00 52.86 52.77 3doh s ASN 118 Cb -0.12 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 3doh s ASN 118 CO -0.28 -0.28 -0.05 0.28 -1.51 0.00 0.00 177.10 175.25 3doh s THR 119 N -2.28 0.48 -0.40 1.60 -1.32 -0.37 -4.90 115.64 108.45 3doh s THR 119 Ca 0.41 -1.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.07 3doh s THR 119 Cb -0.10 -1.48 0.10 0.00 -1.51 0.00 0.00 72.50 69.51 3doh s THR 119 CO 0.35 -0.87 0.20 -0.60 -2.21 0.00 0.00 174.62 171.49 3doh s ARG 120 N -3.60 2.18 0.22 7.08 3.00 -1.26 -0.37 118.95 126.20 3doh s ARG 120 Ca 0.07 -1.70 -0.31 0.00 -1.00 0.00 0.00 55.73 52.79 3doh s ARG 120 Cb 0.05 -3.60 -0.15 0.00 0.00 0.00 0.00 34.95 31.25 3doh s ARG 120 CO -0.06 -1.02 1.14 0.00 0.00 0.00 0.00 175.30 175.36 3doh n MET 121 N 4.67 1.36 -1.65 5.12 -0.00 -1.11 -4.96 117.12 120.55 3doh n MET 121 Ca -0.05 0.48 -0.44 0.00 -0.00 0.00 0.00 57.70 57.69 3doh n MET 121 Cb 0.42 -1.96 -0.02 0.00 -0.00 0.00 0.00 33.22 31.66 3doh n MET 121 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 3doh n LYS 122 N 1.43 1.84 -2.97 3.17 0.00 -1.26 -4.94 118.16 115.42 3doh n LYS 122 Ca 0.13 0.65 -0.40 0.00 -0.00 0.00 0.00 58.31 58.68 3doh n LYS 122 Cb 0.28 -2.19 -0.04 0.00 -0.00 0.00 0.00 35.03 33.08 3doh n LYS 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3doh s LEU 123 N -0.23 4.26 -0.38 -5.58 1.02 -1.26 -5.01 118.68 111.50 3doh s LEU 123 Ca 0.61 1.20 0.01 0.00 0.02 0.00 0.00 54.13 55.96 3doh s LEU 123 Cb -0.64 -3.16 0.12 0.00 0.02 0.00 0.00 46.19 42.53 3doh s LEU 123 CO 0.58 -0.23 0.19 -0.62 0.02 0.00 0.00 176.35 176.28 3doh s ASP 124 N 0.96 3.62 0.03 2.29 -1.08 -1.26 -5.01 116.67 116.22 3doh s ASP 124 Ca 0.38 -2.20 0.08 0.00 -0.52 0.00 0.00 52.55 50.30 3doh s ASP 124 Cb -0.18 -0.83 -0.03 0.00 -1.46 0.00 0.00 42.92 40.43 3doh s ASP 124 CO 0.17 -0.33 -0.24 -0.31 0.52 0.00 0.00 175.17 174.98 3doh s TYR 125 N 0.94 2.40 -0.03 -5.34 1.51 -1.26 0.49 117.35 116.05 3doh s TYR 125 Ca 0.15 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3doh s TYR 125 Cb -0.22 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3doh s TYR 125 CO -0.08 0.13 -0.22 -1.50 -1.11 0.00 0.00 175.55 172.76 3doh s ILE 126 N -0.79 1.79 -0.03 2.71 2.07 -0.78 -2.68 121.20 123.50 3doh s ILE 126 Ca 0.12 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 3doh s ILE 126 Cb -0.10 -1.50 0.00 0.00 0.13 0.00 0.00 42.46 40.99 3doh s ILE 126 CO 0.02 0.51 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.77 3doh s VAL 127 N -0.37 0.88 -0.02 4.00 1.01 0.16 -0.78 120.40 125.28 3doh s VAL 127 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3doh s VAL 127 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3doh s VAL 127 CO 0.01 0.27 -0.07 -0.44 0.00 0.00 0.00 175.10 174.87 3doh s SER 128 N 0.25 0.99 -0.23 3.32 0.01 -0.39 0.78 113.70 118.43 3doh s SER 128 Ca -0.05 -0.15 -0.27 0.00 1.31 0.00 0.00 55.95 56.79 3doh s SER 128 Cb -0.10 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3doh s SER 128 CO 0.01 0.05 0.94 -1.58 0.41 0.00 0.00 173.24 173.07 3doh s GLN 129 N 0.18 4.24 -0.08 12.44 0.74 -0.33 -0.50 119.66 136.35 3doh s GLN 129 Ca -0.02 1.18 -0.16 0.00 0.05 0.00 0.00 55.36 56.41 3doh s GLN 129 Cb -0.07 -3.63 -0.28 0.00 1.10 0.00 0.00 33.01 30.12 3doh s GLN 129 CO 0.00 -0.55 0.63 -0.07 -0.55 0.00 0.00 175.29 174.74 3doh h LEU 130 N 9.21 0.44 -9.28 3.68 3.38 0.09 -2.86 115.31 119.97 3doh h LEU 130 Ca -0.22 -0.88 -0.55 0.00 0.09 0.00 0.00 57.88 56.32 3doh h LEU 130 Cb 1.08 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 3doh h LEU 130 CO 0.92 1.62 -0.67 0.68 0.09 0.00 0.00 178.44 181.09 3doh s VAL 131 N -2.49 1.87 0.42 1.22 -7.23 -1.22 -4.81 120.40 108.16 3doh s VAL 131 Ca -0.18 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 57.59 3doh s VAL 131 Cb 0.04 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 3doh s VAL 131 CO 0.79 -0.23 1.30 -2.84 -0.31 0.00 0.00 175.10 173.81 3doh s PRO 132 N -3.69 3.90 0.16 4.82 0.02 -1.26 -4.49 135.00 134.45 3doh s PRO 132 Ca 0.31 2.15 0.11 0.00 0.02 0.00 0.00 61.00 63.59 3doh s PRO 132 Cb 0.04 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 3doh s PRO 132 CO 0.14 -0.55 -0.25 0.96 -0.33 0.00 0.00 177.00 176.98 3doh s ILE 133 N -1.28 2.35 -0.03 2.83 -4.36 -0.83 -4.88 121.20 114.99 3doh s ILE 133 Ca 0.58 -1.87 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 3doh s ILE 133 Cb -0.38 -2.08 -0.05 0.00 1.25 0.00 0.00 42.46 41.20 3doh s ILE 133 CO 0.48 -0.01 0.65 -0.36 0.24 0.00 0.00 174.94 175.95 3doh s PHE 134 N -1.36 3.63 0.80 1.37 0.08 -1.26 0.49 117.98 121.73 3doh s PHE 134 Ca 0.18 1.23 -0.04 0.00 0.12 0.00 0.00 56.93 58.42 3doh s PHE 134 Cb -0.09 -2.72 0.16 0.00 -0.57 0.00 0.00 43.02 39.80 3doh s PHE 134 CO 0.08 0.21 1.09 0.16 -0.10 0.00 0.00 175.22 176.66 3doh s ASP 135 N 0.32 3.92 0.46 1.36 1.47 -0.86 -2.00 116.67 121.34 3doh s ASP 135 Ca 0.34 -0.37 0.21 0.00 1.18 0.00 0.00 52.55 53.91 3doh s ASP 135 Cb -0.18 0.16 1.12 0.00 -0.34 0.00 0.00 42.92 43.68 3doh s ASP 135 CO 0.18 -2.17 1.97 -0.37 0.68 0.00 0.00 175.17 175.45 3doh h VAL 136 N -0.83 0.86 -0.67 2.11 -1.51 -0.75 -1.07 116.25 114.38 3doh h VAL 136 Ca -0.36 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 3doh h VAL 136 Cb 1.25 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3doh h VAL 136 CO 0.36 0.21 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 3doh n ASP 137 N -3.87 4.72 -0.01 4.19 5.68 -1.26 -4.94 116.55 121.06 3doh n ASP 137 Ca -0.02 -2.39 -0.00 0.00 -0.50 0.00 0.00 54.79 51.88 3doh n ASP 137 Cb 0.30 -0.57 -0.00 0.00 -1.14 0.00 0.00 41.12 39.71 3doh n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3doh n GLY 138 N 1.22 0.43 3.79 6.12 0.00 -0.40 -5.03 105.19 111.32 3doh n GLY 138 Ca 0.26 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 3doh n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3doh s ASN 139 N -2.69 4.32 0.11 1.61 0.01 -1.26 -4.86 114.94 112.19 3doh s ASN 139 Ca 0.00 1.32 -0.17 0.00 -0.71 0.00 0.00 52.86 53.29 3doh s ASN 139 Cb 0.00 -2.04 -0.07 0.00 0.41 0.00 0.00 41.25 39.55 3doh s ASN 139 CO 0.00 -2.08 0.57 -1.61 -1.51 0.00 0.00 177.10 172.48 3doh s GLU 140 N -5.13 4.12 -0.23 -0.60 0.41 -1.26 -2.02 118.70 113.98 3doh s GLU 140 Ca 0.61 0.65 -0.05 0.00 -0.41 0.00 0.00 54.97 55.77 3doh s GLU 140 Cb -0.15 -3.09 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 3doh s GLU 140 CO 0.54 0.56 0.00 0.08 -0.49 0.00 0.00 175.26 175.95 3doh s VAL 141 N -1.29 3.75 0.60 2.63 1.01 0.18 -4.90 120.40 122.38 3doh s VAL 141 Ca 0.34 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3doh s VAL 141 Cb -0.17 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3doh s VAL 141 CO 0.19 0.39 1.12 -1.61 0.00 0.00 0.00 175.10 175.19 3doh s GLU 142 N 1.49 3.09 0.58 2.72 0.41 -1.26 -1.96 118.70 123.78 3doh s GLU 142 Ca 0.06 1.49 -0.18 0.00 -0.41 0.00 0.00 54.97 55.93 3doh s GLU 142 Cb -0.15 -1.98 -0.07 0.00 -1.78 0.00 0.00 34.13 30.15 3doh s GLU 142 CO -0.00 -1.04 0.67 -2.30 -0.49 0.00 0.00 175.26 172.10 3doh n PRO 143 N -1.85 0.63 -3.87 0.39 -0.02 -1.26 -4.91 135.00 124.10 3doh n PRO 143 Ca 0.11 0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3doh n PRO 143 Cb 0.51 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 3doh n PRO 143 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3doh s PHE 144 N -1.65 0.19 0.02 6.00 -0.71 -1.08 -5.01 117.98 115.73 3doh s PHE 144 Ca 0.71 -0.55 0.02 0.00 -1.04 0.00 0.00 56.93 56.08 3doh s PHE 144 Cb -0.44 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.48 3doh s PHE 144 CO 0.52 -0.79 -0.07 0.99 -1.34 0.00 0.00 175.22 174.52 3doh s THR 145 N -3.93 0.56 -0.14 -4.49 2.01 -1.26 -1.18 115.64 107.21 3doh s THR 145 Ca 0.14 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3doh s THR 145 Cb 0.02 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 72.06 3doh s THR 145 CO -0.01 -0.06 0.72 -0.55 -0.69 0.00 0.00 174.62 174.02 3doh s SER 146 N -0.75 -0.68 0.99 3.53 0.15 0.23 -4.98 113.70 112.19 3doh s SER 146 Ca -0.02 0.99 -0.12 0.00 0.70 0.00 0.00 55.95 57.50 3doh s SER 146 Cb -0.06 0.89 0.18 0.00 -1.71 0.00 0.00 66.02 65.33 3doh s SER 146 CO 0.00 -0.45 1.08 -0.54 1.20 0.00 0.00 173.24 174.53 3doh s LYS 147 N -0.55 0.52 0.59 5.44 1.02 -1.26 0.38 119.74 125.88 3doh s LYS 147 Ca -0.06 0.77 -0.18 0.00 0.02 0.00 0.00 55.97 56.51 3doh s LYS 147 Cb -0.02 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 3doh s LYS 147 CO 0.06 -2.73 1.15 1.14 -0.92 0.00 0.00 175.35 174.05 3doh s GLN 148 N -4.83 3.07 0.00 1.68 0.00 -1.09 -4.81 119.66 113.68 3doh s GLN 148 Ca 0.65 1.62 0.15 0.00 -0.00 0.00 0.00 55.36 57.78 3doh s GLN 148 Cb -0.20 -1.97 0.06 0.00 0.00 0.00 0.00 33.01 30.91 3doh s GLN 148 CO 0.59 -1.08 0.90 0.25 0.00 0.00 0.00 175.29 175.95 3doh n THR 149 N -1.71 0.00 -3.53 3.63 -2.24 0.18 -4.98 114.28 105.64 3doh n THR 149 Ca 0.12 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3doh n THR 149 Cb 0.51 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.95 3doh n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3doh s ASP 150 N -1.54 -0.44 0.23 3.42 1.01 -1.16 -4.95 116.67 113.23 3doh s ASP 150 Ca 0.15 0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.80 3doh s ASP 150 Cb 0.12 0.40 -0.04 0.00 1.01 0.00 0.00 42.92 44.42 3doh s ASP 150 CO 0.28 -0.54 0.06 -1.61 0.21 0.00 0.00 175.17 173.57 3doh s GLU 151 N -1.99 2.54 -0.05 8.23 2.02 -1.26 -1.12 118.70 127.07 3doh s GLU 151 Ca -0.01 -1.18 -0.00 0.00 0.02 0.00 0.00 54.97 53.79 3doh s GLU 151 Cb -0.01 -2.36 0.03 0.00 0.10 0.00 0.00 34.13 31.89 3doh s GLU 151 CO -0.01 0.41 -0.01 0.21 0.02 0.00 0.00 175.26 175.88 3doh s LYS 152 N -3.44 0.52 -0.47 1.61 2.20 0.87 -4.79 119.74 116.24 3doh s LYS 152 Ca 0.30 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.86 3doh s LYS 152 Cb -0.08 -0.76 0.10 0.00 -1.51 0.00 0.00 37.83 35.57 3doh s LYS 152 CO 0.21 -0.20 0.36 -1.01 -0.36 0.00 0.00 175.35 174.35 3doh s HIS 153 N 1.46 3.31 0.18 4.03 3.76 -1.26 -1.35 115.29 125.42 3doh s HIS 153 Ca -0.03 -1.39 -0.31 0.00 -0.15 0.00 0.00 55.06 53.18 3doh s HIS 153 Cb -0.13 -3.31 -0.09 0.00 1.11 0.00 0.00 32.58 30.16 3doh s HIS 153 CO -0.03 -0.90 1.37 -0.51 -0.85 0.00 0.00 174.74 173.82 3doh s LEU 154 N 1.51 4.39 0.00 0.89 1.43 -0.08 -0.96 118.68 125.86 3doh s LEU 154 Ca 0.04 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 3doh s LEU 154 Cb -0.25 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.36 3doh s LEU 154 CO 0.03 -0.62 0.00 -0.38 0.23 0.00 0.00 176.35 175.61 3doh n ILE 155 N 3.09 0.00 -0.04 -0.59 5.41 -1.26 -4.53 119.36 121.44 3doh n ILE 155 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3doh n ILE 155 Cb 0.42 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3doh n ILE 155 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3doh n ILE 156 N -1.54 0.00 1.00 1.39 5.41 -0.88 -4.25 119.36 120.50 3doh n ILE 156 Ca 0.00 -0.45 0.11 0.00 1.00 0.00 0.00 62.75 63.40 3doh n ILE 156 Cb 0.28 1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 40.20 3doh n ILE 156 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3doh n ASP 157 N -0.51 1.56 -0.86 4.38 5.75 -0.13 -4.07 116.55 122.67 3doh n ASP 157 Ca 0.00 -1.28 0.10 0.00 -0.01 0.00 0.00 54.79 53.60 3doh n ASP 157 Cb 0.01 0.71 0.27 0.00 -1.03 0.00 0.00 41.12 41.08 3doh n ASP 157 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3doh n ASP 158 N -0.69 2.53 -4.63 -1.12 8.00 -1.26 -4.82 116.55 114.56 3doh n ASP 158 Ca 0.07 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.30 3doh n ASP 158 Cb 0.41 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 3doh n ASP 158 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3doh s PHE 159 N -1.53 3.27 0.34 1.24 0.08 -1.26 -4.52 117.98 115.60 3doh s PHE 159 Ca 0.34 0.14 -0.28 0.00 0.12 0.00 0.00 56.93 57.25 3doh s PHE 159 Cb 0.19 -2.28 -0.10 0.00 -0.57 0.00 0.00 43.02 40.25 3doh s PHE 159 CO 0.26 -0.01 1.32 -0.51 -0.10 0.00 0.00 175.22 176.18 3doh s LEU 160 N 1.22 4.40 -0.07 -0.37 1.02 0.12 -4.68 118.68 120.33 3doh s LEU 160 Ca 0.07 2.72 -0.13 0.00 0.02 0.00 0.00 54.13 56.81 3doh s LEU 160 Cb -0.14 -3.67 -0.05 0.00 0.02 0.00 0.00 46.19 42.35 3doh s LEU 160 CO 0.06 -0.59 0.32 0.00 0.02 0.00 0.00 176.35 176.16 3doh s ALA 161 N -1.15 3.71 0.11 4.21 0.00 -1.26 -1.53 121.76 125.84 3doh s ALA 161 Ca 0.50 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 3doh s ALA 161 Cb -0.40 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 3doh s ALA 161 CO 0.54 0.40 0.20 -0.06 0.00 0.00 0.00 175.76 176.84 3doh s PHE 162 N -0.63 0.25 0.06 0.00 0.08 -0.59 -5.02 117.98 112.13 3doh s PHE 162 Ca 0.20 -0.66 0.07 0.00 0.12 0.00 0.00 56.93 56.65 3doh s PHE 162 Cb -0.15 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 3doh s PHE 162 CO 0.09 -0.58 -0.18 0.99 -0.10 0.00 0.00 175.22 175.44 3doh s THR 163 N -3.89 1.48 -0.05 0.64 2.01 -1.26 -1.42 115.64 113.14 3doh s THR 163 Ca 0.08 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 60.83 3doh s THR 163 Cb 0.05 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.25 3doh s THR 163 CO -0.08 0.02 -0.07 0.12 -0.69 0.00 0.00 174.62 173.92 3doh s PHE 164 N -0.98 0.99 -0.14 4.92 5.36 -0.57 -4.98 117.98 122.58 3doh s PHE 164 Ca 0.05 -0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 3doh s PHE 164 Cb -0.09 -0.81 -0.03 0.00 -0.34 0.00 0.00 43.02 41.75 3doh s PHE 164 CO 0.02 -0.23 -0.02 -1.59 -1.46 0.00 0.00 175.22 171.95 3doh s LYS 165 N 0.86 3.53 -1.31 10.12 -2.85 -1.26 0.11 119.74 128.93 3doh s LYS 165 Ca -0.12 -0.47 -0.17 0.00 -1.00 0.00 0.00 55.97 54.21 3doh s LYS 165 Cb -0.15 -2.91 0.03 0.00 -2.06 0.00 0.00 37.83 32.74 3doh s LYS 165 CO 0.01 0.36 1.93 -3.47 0.10 0.00 0.00 175.35 174.28 3doh n ASP 166 N 3.18 4.30 -4.76 0.03 -0.08 -0.91 -4.95 116.55 113.35 3doh n ASP 166 Ca -0.18 -2.86 -0.39 0.00 -1.51 0.00 0.00 54.79 49.86 3doh n ASP 166 Cb 0.53 -1.68 -0.06 0.00 2.34 0.00 0.00 41.12 42.25 3doh n ASP 166 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3doh s PRO 167 N 4.11 4.32 0.01 -0.67 0.04 -1.26 0.84 135.00 142.39 3doh s PRO 167 Ca 0.53 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 3doh s PRO 167 Cb 0.08 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 3doh s PRO 167 CO 0.03 0.32 0.22 -0.85 0.04 0.00 0.00 177.00 176.77 3doh n GLU 168 N 2.91 -0.02 0.00 4.56 -0.00 -1.26 -5.09 120.64 121.74 3doh n GLU 168 Ca -0.06 0.22 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 3doh n GLU 168 Cb 0.51 -0.33 0.00 0.00 -0.00 0.00 0.00 31.44 31.62 3doh n GLU 168 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3doh n THR 169 N -2.68 0.00 -1.20 3.84 5.66 0.25 -5.12 114.28 115.03 3doh n THR 169 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3doh n THR 169 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 3doh n THR 169 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3doh n GLY 170 N -1.10 0.60 3.70 1.09 0.00 -1.21 -4.94 105.19 103.32 3doh n GLY 170 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 3doh n GLY 170 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3doh n VAL 171 N 0.00 0.13 -3.52 1.61 3.14 -1.26 -4.33 118.33 114.10 3doh n VAL 171 Ca 0.00 -0.02 -0.38 0.00 -2.96 0.00 0.00 64.34 60.98 3doh n VAL 171 Cb 0.30 -0.78 -0.06 0.00 -1.06 0.00 0.00 33.84 32.24 3doh n VAL 171 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3doh s GLU 172 N 2.71 3.90 -0.21 1.45 2.12 -1.26 -2.15 118.70 125.26 3doh s GLU 172 Ca 0.99 0.39 -0.02 0.00 0.36 0.00 0.00 54.97 56.70 3doh s GLU 172 Cb -1.25 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 29.98 3doh s GLU 172 CO 0.70 0.69 0.01 0.42 -0.54 0.00 0.00 175.26 176.54 3doh s ILE 173 N -1.08 0.87 0.41 -3.70 -1.09 0.30 -4.84 121.20 112.07 3doh s ILE 173 Ca 0.23 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 57.59 3doh s ILE 173 Cb -0.17 -1.32 -0.08 0.00 -1.58 0.00 0.00 42.46 39.31 3doh s ILE 173 CO 0.13 -0.20 1.11 -2.84 -1.23 0.00 0.00 174.94 171.91 3doh s PRO 174 N 1.69 4.06 0.08 2.79 0.02 -1.26 -1.51 135.00 140.87 3doh s PRO 174 Ca -0.02 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 3doh s PRO 174 Cb -0.18 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3doh s PRO 174 CO -0.08 -0.27 0.20 1.52 -0.33 0.00 0.00 177.00 178.05 3doh s TYR 175 N -1.54 0.11 -0.04 6.54 1.13 -0.51 -1.27 117.35 121.77 3doh s TYR 175 Ca 0.58 -0.49 0.06 0.00 -1.41 0.00 0.00 57.07 55.81 3doh s TYR 175 Cb -0.26 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.54 3doh s TYR 175 CO 0.33 -0.53 -0.20 1.03 -2.51 0.00 0.00 175.55 173.67 3doh s ARG 176 N -3.61 2.33 -0.05 -3.49 1.81 -0.61 -1.53 118.95 113.80 3doh s ARG 176 Ca 0.03 -0.80 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 3doh s ARG 176 Cb 0.04 -2.23 0.03 0.00 -0.45 0.00 0.00 34.95 32.34 3doh s ARG 176 CO -0.10 0.59 0.01 -1.17 -0.68 0.00 0.00 175.30 173.96 3doh s LEU 177 N -0.67 0.78 -0.20 2.53 2.96 -0.58 -0.67 118.68 122.82 3doh s LEU 177 Ca 0.11 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3doh s LEU 177 Cb -0.10 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 3doh s LEU 177 CO -0.00 -0.16 0.24 0.12 -1.32 0.00 0.00 176.35 175.23 3doh s PHE 178 N 1.55 3.38 -0.17 5.38 5.36 0.25 0.14 117.98 133.86 3doh s PHE 178 Ca -0.02 0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 56.32 3doh s PHE 178 Cb -0.13 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 3doh s PHE 178 CO -0.03 0.13 -0.01 0.08 -1.46 0.00 0.00 175.22 173.93 3doh s VAL 179 N 0.85 4.11 0.62 3.12 1.01 -1.26 -1.79 120.40 127.06 3doh s VAL 179 Ca 0.12 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 3doh s VAL 179 Cb -0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3doh s VAL 179 CO 0.04 0.47 1.28 -2.16 0.00 0.00 0.00 175.10 174.73 3doh s PRO 180 N 0.50 2.75 0.50 2.72 0.04 -1.26 -5.01 135.00 135.24 3doh s PRO 180 Ca -0.01 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.08 3doh s PRO 180 Cb -0.14 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3doh s PRO 180 CO 0.02 -1.43 0.10 -1.59 0.04 0.00 0.00 177.00 174.14 3doh s LYS 181 N -3.30 2.18 -0.47 4.56 -2.85 -1.26 -4.69 119.74 113.92 3doh s LYS 181 Ca 0.80 -2.24 -0.24 0.00 -1.00 0.00 0.00 55.97 53.29 3doh s LYS 181 Cb -0.36 -1.70 0.03 0.00 -2.06 0.00 0.00 37.83 33.74 3doh s LYS 181 CO 0.39 -0.36 0.87 0.16 0.10 0.00 0.00 175.35 176.51 3doh s ASP 182 N -3.95 6.43 -0.14 0.03 1.47 -1.26 -5.03 116.67 114.23 3doh s ASP 182 Ca 0.18 -0.07 -0.03 0.00 1.18 0.00 0.00 52.55 53.81 3doh s ASP 182 Cb 0.02 -2.42 0.05 0.00 -0.34 0.00 0.00 42.92 40.23 3doh s ASP 182 CO 0.10 -1.03 0.06 0.54 0.68 0.00 0.00 175.17 175.52 3doh s VAL 183 N 3.61 0.14 -0.14 2.11 0.11 -1.26 -5.06 120.40 119.91 3doh s VAL 183 Ca 0.33 -0.12 -0.32 0.00 -2.93 0.00 0.00 61.98 58.94 3doh s VAL 183 Cb -0.11 -0.61 -0.15 0.00 -1.53 0.00 0.00 36.38 33.97 3doh s VAL 183 CO 0.23 -0.09 0.96 -3.20 -3.33 0.00 0.00 175.10 169.67 3doh n ASN 184 N 5.20 0.33 0.00 3.54 5.15 -1.26 -4.80 115.26 123.42 3doh n ASN 184 Ca -0.07 0.89 0.15 0.00 -0.60 0.00 0.00 54.58 54.95 3doh n ASN 184 Cb 0.49 -0.69 0.84 0.00 -0.53 0.00 0.00 39.78 39.89 3doh n ASN 184 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3doh n PRO 185 N 1.82 0.70 -1.46 1.20 -0.05 -1.26 -3.60 135.00 132.36 3doh n PRO 185 Ca 0.18 0.00 -0.36 0.00 -0.05 0.00 0.00 63.50 63.28 3doh n PRO 185 Cb 0.02 -1.50 0.07 0.00 -0.05 0.00 0.00 33.50 32.04 3doh n PRO 185 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3doh n ASP 186 N -1.14 7.65 -3.85 3.54 8.00 -1.26 -4.88 116.55 124.61 3doh n ASP 186 Ca 0.19 -3.80 -0.11 0.00 0.71 0.00 0.00 54.79 51.78 3doh n ASP 186 Cb 0.17 -0.99 -0.09 0.00 -0.02 0.00 0.00 41.12 40.19 3doh n ASP 186 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3doh s ARG 187 N -3.88 0.65 0.03 -1.24 3.52 -1.24 -5.17 118.95 111.62 3doh s ARG 187 Ca 0.62 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3doh s ARG 187 Cb 0.49 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 34.12 3doh s ARG 187 CO -0.09 -0.18 0.08 0.15 -0.81 0.00 0.00 175.30 174.44 3doh s LYS 188 N -2.34 2.98 0.12 5.12 1.02 -1.26 -4.85 119.74 120.54 3doh s LYS 188 Ca -0.07 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 55.41 3doh s LYS 188 Cb -0.02 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3doh s LYS 188 CO -0.03 0.61 -0.14 0.71 -0.92 0.00 0.00 175.35 175.59 3doh s TYR 189 N -1.26 1.41 0.72 3.18 2.02 -1.02 -4.62 117.35 117.78 3doh s TYR 189 Ca 0.25 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 3doh s TYR 189 Cb -0.12 -0.73 0.03 0.00 -0.40 0.00 0.00 41.96 40.74 3doh s TYR 189 CO 0.17 0.15 1.24 -2.14 -1.57 0.00 0.00 175.55 173.40 3doh s PRO 190 N -2.71 2.12 -0.19 -1.71 0.02 -1.26 -0.53 135.00 130.74 3doh s PRO 190 Ca 0.09 1.88 -0.05 0.00 0.02 0.00 0.00 61.00 62.94 3doh s PRO 190 Cb -0.05 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3doh s PRO 190 CO 0.03 -1.88 -0.00 -1.17 -0.33 0.00 0.00 177.00 173.65 3doh s LEU 191 N -5.04 3.31 -0.27 -5.54 2.96 -0.54 -1.09 118.68 112.47 3doh s LEU 191 Ca 0.77 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 3doh s LEU 191 Cb -0.32 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 3doh s LEU 191 CO 0.45 0.10 0.17 -0.69 -1.32 0.00 0.00 176.35 175.06 3doh s VAL 192 N 0.80 5.16 -0.20 1.68 1.01 0.19 0.61 120.40 129.65 3doh s VAL 192 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3doh s VAL 192 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3doh s VAL 192 CO 0.02 0.27 0.05 -0.69 0.00 0.00 0.00 175.10 174.75 3doh s VAL 193 N 1.69 4.57 -0.05 2.92 1.01 0.30 -0.09 120.40 130.73 3doh s VAL 193 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.99 3doh s VAL 193 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3doh s VAL 193 CO 0.09 0.43 -0.19 0.12 0.00 0.00 0.00 175.10 175.56 3doh s PHE 194 N 0.70 2.58 -0.27 5.22 5.36 0.68 -1.38 117.98 130.86 3doh s PHE 194 Ca 0.03 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.63 3doh s PHE 194 Cb -0.13 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 41.00 3doh s PHE 194 CO 0.02 0.01 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.24 3doh s LEU 195 N -0.46 3.39 0.62 6.12 1.43 -0.23 -3.98 118.68 125.57 3doh s LEU 195 Ca 0.05 -1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 51.45 3doh s LEU 195 Cb -0.12 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 3doh s LEU 195 CO 0.01 -0.27 1.16 -1.38 0.23 0.00 0.00 176.35 176.11 3doh s HIS 196 N 1.19 2.47 0.00 0.29 -3.43 -1.26 -1.72 115.29 112.82 3doh s HIS 196 Ca -0.02 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.79 3doh s HIS 196 Cb -0.19 -3.35 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 3doh s HIS 196 CO -0.08 -1.97 0.00 0.41 -2.00 0.00 0.00 174.74 171.10 3doh n GLY 197 N 0.14 -2.77 0.24 -1.38 0.00 -1.03 -3.50 105.19 96.89 3doh n GLY 197 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3doh n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3doh h ALA 198 N 0.00 -0.36 -0.97 4.61 0.00 -1.91 -2.94 119.26 117.69 3doh h ALA 198 Ca 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.12 3doh h ALA 198 Cb 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3doh h ALA 198 CO 0.00 -0.74 0.65 0.78 0.00 0.00 0.00 179.25 179.94 3doh h GLY 199 N -0.40 0.78 -0.04 0.00 0.00 -1.96 -1.75 103.07 99.70 3doh h GLY 199 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3doh h GLY 199 CO -0.10 -0.05 0.00 1.18 0.00 0.00 0.00 176.54 177.57 3doh n GLU 200 N -4.48 1.42 -1.69 4.80 4.71 -1.12 -1.99 120.64 122.29 3doh n GLU 200 Ca 0.22 -0.62 -0.37 0.00 -0.01 0.00 0.00 57.16 56.38 3doh n GLU 200 Cb 0.84 -1.43 0.06 0.00 -1.01 0.00 0.00 31.44 29.90 3doh n GLU 200 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3doh n ARG 201 N -0.22 1.05 -1.77 3.49 1.74 -0.66 -4.14 116.66 116.16 3doh n ARG 201 Ca 0.19 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3doh n ARG 201 Cb 0.24 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 3doh n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3doh n GLY 202 N 1.06 -0.02 0.00 -0.13 0.00 -0.59 -4.76 105.19 100.75 3doh n GLY 202 Ca 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3doh n GLY 202 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3doh n THR 203 N 9.00 0.00 0.60 2.61 -1.04 -1.26 -3.92 114.28 120.26 3doh n THR 203 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 3doh n THR 203 Cb 0.00 0.97 0.46 0.00 -1.82 0.00 0.00 70.33 69.93 3doh n THR 203 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3doh n ASP 204 N 0.00 0.57 -1.93 8.00 5.75 -1.26 -4.92 116.55 122.76 3doh n ASP 204 Ca 0.00 0.59 -0.17 0.00 -0.01 0.00 0.00 54.79 55.19 3doh n ASP 204 Cb 0.08 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 39.43 3doh n ASP 204 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3doh n ASN 205 N -2.07 -5.12 0.04 -1.12 5.15 -1.26 -4.85 115.26 106.02 3doh n ASN 205 Ca 0.05 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3doh n ASN 205 Cb 0.33 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 3doh n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3doh n TYR 206 N -3.87 -0.58 -0.30 1.20 9.36 -1.26 -4.86 117.16 116.84 3doh n TYR 206 Ca -0.20 0.10 0.07 0.00 3.32 0.00 0.00 57.90 61.19 3doh n TYR 206 Cb 0.65 0.33 0.15 0.00 -0.63 0.00 0.00 39.34 39.84 3doh n TYR 206 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3doh n LEU 207 N -2.98 -0.26 0.09 2.98 4.32 -1.26 -1.00 117.00 118.89 3doh n LEU 207 Ca 0.00 1.44 0.13 0.00 -0.02 0.00 0.00 56.01 57.56 3doh n LEU 207 Cb 0.12 -0.45 0.62 0.00 -1.62 0.00 0.00 43.42 42.09 3doh n LEU 207 CO 0.00 -1.40 1.14 0.06 -1.22 0.00 0.00 177.39 175.97 3doh h GLN 208 N 0.00 0.10 -0.00 3.23 -0.00 -1.90 0.15 115.11 116.69 3doh h GLN 208 Ca 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.07 3doh h GLN 208 Cb 0.71 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 3doh h GLN 208 CO -0.85 0.07 -0.93 0.28 -0.00 0.00 0.00 178.83 177.40 3doh n VAL 209 N -4.46 0.00 -0.02 1.86 0.31 -0.17 -4.52 118.33 111.33 3doh n VAL 209 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3doh n VAL 209 Cb 0.34 0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 34.20 3doh n VAL 209 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3doh n ALA 210 N -1.36 2.07 -0.11 3.52 0.00 -0.63 -4.68 120.51 119.33 3doh n ALA 210 Ca 0.05 -0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.32 3doh n ALA 210 Cb 0.34 -0.09 0.52 0.00 0.00 0.00 0.00 19.45 20.22 3doh n ALA 210 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3doh h GLY 211 N 1.39 0.57 -0.56 0.00 0.00 -0.99 -1.28 103.07 102.21 3doh h GLY 211 Ca -0.09 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.14 3doh h GLY 211 CO 0.00 0.07 0.23 1.16 0.00 0.00 0.00 176.54 178.01 3doh n ASN 212 N -4.46 -0.74 -0.40 0.19 2.04 -1.26 -3.33 115.26 107.29 3doh n ASN 212 Ca 0.12 -1.41 0.04 0.00 -0.44 0.00 0.00 54.58 52.89 3doh n ASN 212 Cb 0.46 1.21 0.13 0.00 -2.53 0.00 0.00 39.78 39.05 3doh n ASN 212 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3doh n ARG 213 N -0.29 1.51 -0.30 -3.83 1.74 -1.26 -4.47 116.66 109.76 3doh n ARG 213 Ca -0.01 -0.79 0.13 0.00 -0.77 0.00 0.00 57.85 56.42 3doh n ARG 213 Cb 0.24 -1.19 0.30 0.00 -1.02 0.00 0.00 32.46 30.79 3doh n ARG 213 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3doh h GLY 214 N 5.49 1.40 0.16 -0.13 0.00 -1.92 -1.92 103.07 106.15 3doh h GLY 214 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 47.33 46.92 3doh h GLY 214 CO 0.00 -0.37 -2.31 0.00 0.00 0.00 0.00 176.54 173.86 3doh n ALA 215 N -2.68 1.44 0.04 3.60 0.00 -1.26 -4.58 120.51 117.06 3doh n ALA 215 Ca 0.22 -1.15 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 3doh n ALA 215 Cb 0.70 -0.27 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 3doh n ALA 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3doh h VAL 216 N 0.01 1.49 -0.88 0.00 2.07 -1.81 -3.31 116.25 113.82 3doh h VAL 216 Ca -0.52 -3.24 0.13 0.00 0.82 0.00 0.00 66.70 63.90 3doh h VAL 216 Cb 2.10 2.74 -0.09 0.00 -1.52 0.00 0.00 31.29 34.53 3doh h VAL 216 CO 0.00 0.85 0.49 1.62 0.02 0.00 0.00 177.57 180.56 3doh h VAL 217 N 0.00 0.80 0.00 2.57 3.04 -1.60 0.11 116.25 121.18 3doh h VAL 217 Ca -0.08 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 3doh h VAL 217 Cb 1.84 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 3doh h VAL 217 CO 0.12 0.13 -0.03 -0.50 -1.01 0.00 0.00 177.57 176.29 3doh h TRP 218 N 0.73 0.00 -0.10 3.17 4.06 -1.83 -2.94 115.95 119.05 3doh h TRP 218 Ca 0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.41 3doh h TRP 218 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3doh h TRP 218 CO -0.06 0.03 0.00 0.00 -3.56 0.00 0.00 178.44 174.84 3doh n ALA 219 N -2.11 2.50 -2.10 1.49 0.00 0.37 -4.39 120.51 116.26 3doh n ALA 219 Ca -0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 3doh n ALA 219 Cb 0.28 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3doh n ALA 219 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3doh s GLN 220 N -1.90 4.37 0.34 0.00 -0.21 -1.09 -4.81 119.66 116.37 3doh s GLN 220 Ca 0.33 2.03 0.17 0.00 0.02 0.00 0.00 55.36 57.90 3doh s GLN 220 Cb 0.20 -3.23 1.19 0.00 1.00 0.00 0.00 33.01 32.17 3doh s GLN 220 CO 0.31 -0.31 1.52 -2.30 -2.12 0.00 0.00 175.29 172.39 3doh n PRO 221 N 3.19 -0.06 -0.07 2.91 -0.02 -1.26 -0.25 135.00 139.44 3doh n PRO 221 Ca 0.08 1.35 0.20 0.00 -2.02 0.00 0.00 63.50 63.11 3doh n PRO 221 Cb 0.43 -2.36 0.65 0.00 -0.02 0.00 0.00 33.50 32.20 3doh n PRO 221 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3doh h ARG 222 N 0.00 0.09 0.00 -0.52 0.11 -1.95 -1.80 114.38 110.31 3doh h ARG 222 Ca 0.77 -0.01 -0.30 0.00 0.10 0.00 0.00 59.98 60.55 3doh h ARG 222 Cb 1.97 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 32.98 3doh h ARG 222 CO -0.77 0.06 -2.12 0.66 0.10 0.00 0.00 179.97 177.90 3doh n TYR 223 N -4.39 0.00 -0.02 4.08 4.01 0.65 -4.41 117.16 117.09 3doh n TYR 223 Ca 0.12 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.89 3doh n TYR 223 Cb 0.65 -0.78 0.40 0.00 -0.31 0.00 0.00 39.34 39.30 3doh n TYR 223 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3doh h GLN 224 N 0.00 0.57 0.00 -0.72 1.08 -0.88 0.73 115.11 115.90 3doh h GLN 224 Ca -0.44 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 3doh h GLN 224 Cb 1.83 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.14 3doh h GLN 224 CO -0.02 0.40 -0.06 -0.39 -0.95 0.00 0.00 178.83 177.81 3doh h VAL 225 N 0.58 0.27 0.00 -0.54 -1.51 -1.54 -2.42 116.25 111.09 3doh h VAL 225 Ca 0.15 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.24 3doh h VAL 225 Cb -0.02 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3doh h VAL 225 CO -0.03 0.05 -1.07 0.55 -1.23 0.00 0.00 177.57 175.85 3doh n VAL 226 N -3.36 0.03 -3.38 7.19 3.14 -0.74 -4.76 118.33 116.45 3doh n VAL 226 Ca -0.02 -0.04 -0.26 0.00 -2.96 0.00 0.00 64.34 61.07 3doh n VAL 226 Cb 0.21 0.05 -0.09 0.00 -1.06 0.00 0.00 33.84 32.95 3doh n VAL 226 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3doh n HIS 227 N -1.69 0.88 -1.77 1.45 8.25 0.25 -5.12 115.22 117.47 3doh n HIS 227 Ca -0.01 -3.73 -0.41 0.00 -0.26 0.00 0.00 57.72 53.31 3doh n HIS 227 Cb 0.18 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3doh n HIS 227 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3doh n PRO 228 N 1.68 2.57 -3.64 -0.41 -0.04 -0.91 -4.43 135.00 129.81 3doh n PRO 228 Ca 0.25 0.90 -0.05 0.00 -0.04 0.00 0.00 63.50 64.56 3doh n PRO 228 Cb 0.47 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.27 3doh n PRO 228 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3doh s PHE 230 N -3.11 3.43 -0.00 0.00 0.08 -0.25 -4.02 117.98 114.11 3doh s PHE 230 Ca 0.10 0.87 0.04 0.00 0.12 0.00 0.00 56.93 58.06 3doh s PHE 230 Cb -0.01 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3doh s PHE 230 CO -0.03 0.21 -0.14 0.54 -0.10 0.00 0.00 175.22 175.71 3doh s VAL 231 N -1.91 1.08 -0.21 -0.44 0.11 -0.74 0.54 120.40 118.82 3doh s VAL 231 Ca 0.48 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 3doh s VAL 231 Cb -0.11 -0.91 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3doh s VAL 231 CO 0.23 0.27 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.90 3doh s LEU 232 N -0.41 2.65 -0.52 2.54 2.96 0.87 -0.58 118.68 126.18 3doh s LEU 232 Ca 0.05 -0.90 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 3doh s LEU 232 Cb -0.06 -1.52 0.13 0.00 0.50 0.00 0.00 46.19 45.24 3doh s LEU 232 CO -0.00 -0.07 0.27 0.00 -1.32 0.00 0.00 176.35 175.22 3doh s ALA 233 N 1.24 3.32 0.79 5.97 0.00 0.15 -0.23 121.76 133.00 3doh s ALA 233 Ca 0.00 -3.26 -0.12 0.00 0.00 0.00 0.00 51.96 48.59 3doh s ALA 233 Cb -0.16 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.84 3doh s ALA 233 CO -0.10 -2.02 1.12 -1.25 0.00 0.00 0.00 175.76 173.52 3doh s PRO 234 N -0.25 2.12 -0.11 0.00 0.04 -1.26 -1.57 135.00 133.98 3doh s PRO 234 Ca 0.17 0.41 0.02 0.00 0.04 0.00 0.00 61.00 61.63 3doh s PRO 234 Cb -0.25 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.36 3doh s PRO 234 CO -0.00 -1.54 -0.15 -1.14 0.04 0.00 0.00 177.00 174.20 3doh s GLN 235 N -5.33 2.21 -0.04 4.56 0.74 -0.40 -4.69 119.66 116.72 3doh s GLN 235 Ca 0.61 -0.55 -0.26 0.00 0.05 0.00 0.00 55.36 55.20 3doh s GLN 235 Cb -0.13 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.05 3doh s GLN 235 CO 0.52 -0.08 0.82 0.00 -0.55 0.00 0.00 175.29 176.00 3doh s PRO 237 N 0.85 1.50 0.59 0.00 0.04 -1.25 -1.54 135.00 135.20 3doh s PRO 237 Ca 0.43 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 3doh s PRO 237 Cb -0.19 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3doh s PRO 237 CO 0.22 -2.30 0.44 -2.30 0.04 0.00 0.00 177.00 173.10 3doh n PRO 238 N -3.50 0.42 -0.06 0.56 -0.02 -1.26 -2.74 135.00 128.40 3doh n PRO 238 Ca 0.13 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3doh n PRO 238 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3doh n PRO 238 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doh n ASN 239 N 0.61 0.00 -4.77 2.55 3.02 -1.26 -4.94 115.26 110.47 3doh n ASN 239 Ca 0.11 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 3doh n ASN 239 Cb 0.48 -1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 3doh n ASN 239 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3doh s SER 240 N -2.71 4.37 0.34 6.41 0.15 -1.11 -4.86 113.70 116.30 3doh s SER 240 Ca 0.00 -1.24 0.02 0.00 0.70 0.00 0.00 55.95 55.43 3doh s SER 240 Cb 0.00 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3doh s SER 240 CO 0.00 -0.70 0.41 -0.94 1.20 0.00 0.00 173.24 173.20 3doh s SER 241 N -3.96 1.26 -0.08 5.45 1.04 -1.26 -4.82 113.70 111.33 3doh s SER 241 Ca 0.33 -1.61 -0.25 0.00 0.48 0.00 0.00 55.95 54.90 3doh s SER 241 Cb 0.03 0.63 -0.28 0.00 0.10 0.00 0.00 66.02 66.50 3doh s SER 241 CO 0.18 -1.23 0.88 -0.50 0.98 0.00 0.00 173.24 173.56 3doh h TRP 242 N 2.10 0.30 -1.26 5.02 4.06 -1.91 -3.40 115.95 120.85 3doh h TRP 242 Ca -0.27 -0.21 -0.44 0.00 2.06 0.00 0.00 58.89 60.03 3doh h TRP 242 Cb 1.24 -0.02 0.02 0.00 -1.00 0.00 0.00 29.16 29.40 3doh h TRP 242 CO 1.64 1.13 -0.22 -1.54 -3.56 0.00 0.00 178.44 175.88 3doh s SER 243 N -6.58 5.48 0.00 -3.49 1.04 -1.26 -1.25 113.70 107.64 3doh s SER 243 Ca -0.16 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3doh s SER 243 Cb -0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 3doh s SER 243 CO 0.76 -0.91 1.38 0.35 0.98 0.00 0.00 173.24 175.81 3doh n THR 244 N -1.94 1.29 0.27 2.02 -2.24 0.76 -4.21 114.28 110.24 3doh n THR 244 Ca 0.10 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3doh n THR 244 Cb 0.60 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 3doh n THR 244 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3doh h LEU 245 N 3.74 -0.64 -1.19 3.22 5.85 -1.84 -2.54 115.31 121.91 3doh h LEU 245 Ca 0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3doh h LEU 245 Cb 0.65 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3doh h LEU 245 CO 0.06 -0.23 0.00 0.49 -0.34 0.00 0.00 178.44 178.42 3doh n PHE 246 N -5.27 0.42 -0.19 1.25 3.72 -1.26 -3.95 117.46 112.17 3doh n PHE 246 Ca -0.09 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3doh n PHE 246 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3doh n PHE 246 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3doh n THR 247 N 0.44 0.00 -1.41 4.37 -2.24 -1.25 -4.91 114.28 109.28 3doh n THR 247 Ca 0.12 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3doh n THR 247 Cb 0.28 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3doh n THR 247 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3doh n ASP 248 N -0.27 -5.30 0.00 3.42 -0.08 -0.95 -5.05 116.55 108.31 3doh n ASP 248 Ca 0.00 0.86 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 3doh n ASP 248 Cb 0.05 -3.72 0.00 0.00 2.34 0.00 0.00 41.12 39.79 3doh n ASP 248 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3doh n ASN 251 N -1.24 0.00 -2.19 1.67 0.23 -1.26 -4.92 115.26 107.54 3doh n ASN 251 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 3doh n ASN 251 Cb 0.06 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.95 3doh n ASN 251 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 3doh n PRO 252 N 0.00 2.31 0.00 -0.53 -0.04 -1.26 -4.66 135.00 130.82 3doh n PRO 252 Ca 0.00 -3.02 0.06 0.00 -0.04 0.00 0.00 63.50 60.50 3doh n PRO 252 Cb 0.00 -2.17 -0.05 0.00 -0.04 0.00 0.00 33.50 31.24 3doh n PRO 252 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3doh n PHE 253 N -1.10 0.00 -2.33 0.54 3.72 -1.26 -3.04 117.46 113.98 3doh n PHE 253 Ca 0.58 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.69 3doh n PHE 253 Cb 1.65 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 40.18 3doh n PHE 253 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3doh s ASN 254 N -1.96 6.34 0.15 4.37 0.01 -1.26 -4.72 114.94 117.87 3doh s ASN 254 Ca 0.06 1.25 -0.30 0.00 -0.71 0.00 0.00 52.86 53.15 3doh s ASN 254 Cb 0.09 -2.39 -0.08 0.00 0.41 0.00 0.00 41.25 39.29 3doh s ASN 254 CO 0.44 -0.67 1.28 -2.16 -1.51 0.00 0.00 177.10 174.48 3doh s PRO 255 N -4.67 4.41 0.31 -0.60 0.04 -1.26 -0.17 135.00 133.06 3doh s PRO 255 Ca 0.53 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.53 3doh s PRO 255 Cb -0.11 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3doh s PRO 255 CO 0.44 -0.26 0.50 -2.00 0.04 0.00 0.00 177.00 175.73 3doh s GLU 256 N 0.39 3.49 0.52 4.56 2.56 -0.38 -4.68 118.70 125.15 3doh s GLU 256 Ca 0.58 -0.40 0.19 0.00 0.00 0.00 0.00 54.97 55.35 3doh s GLU 256 Cb -0.34 -2.72 1.29 0.00 2.00 0.00 0.00 34.13 34.37 3doh s GLU 256 CO 0.34 0.22 2.08 1.57 -0.56 0.00 0.00 175.26 178.91 3doh h LYS 257 N 0.97 0.04 -0.78 4.30 2.10 -1.84 0.37 116.57 121.73 3doh h LYS 257 Ca -0.50 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 3doh h LYS 257 Cb 1.22 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 3doh h LYS 257 CO 0.62 0.02 0.30 -1.35 -2.00 0.00 0.00 179.45 177.05 3doh h PRO 258 N 0.04 1.17 -0.07 0.07 0.11 -1.85 0.14 132.00 131.61 3doh h PRO 258 Ca 0.12 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3doh h PRO 258 Cb 0.42 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3doh h PRO 258 CO -0.01 0.96 -0.01 1.25 -0.21 0.00 0.00 178.00 179.98 3doh h LEU 259 N 1.14 0.13 -0.97 2.35 5.85 -1.05 -2.21 115.31 120.55 3doh h LEU 259 Ca 0.26 -0.36 0.16 0.00 0.84 0.00 0.00 57.88 58.78 3doh h LEU 259 Cb 0.23 -0.03 -0.17 0.00 0.37 0.00 0.00 40.66 41.06 3doh h LEU 259 CO -0.02 0.46 -0.34 0.18 -0.34 0.00 0.00 178.44 178.38 3doh n LEU 260 N -4.82 -0.54 -0.22 2.25 4.32 -0.71 -0.60 117.00 116.68 3doh n LEU 260 Ca -0.07 1.69 -0.01 0.00 -0.02 0.00 0.00 56.01 57.60 3doh n LEU 260 Cb 0.22 -0.43 0.21 0.00 -1.62 0.00 0.00 43.42 41.80 3doh n LEU 260 CO 0.35 -1.55 1.18 0.00 -1.22 0.00 0.00 177.39 176.15 3doh h ALA 261 N 1.53 1.37 -0.73 -1.18 0.00 -0.28 -2.96 119.26 117.01 3doh h ALA 261 Ca 0.38 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3doh h ALA 261 Cb 0.62 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3doh h ALA 261 CO -0.98 0.53 0.43 0.28 0.00 0.00 0.00 179.25 179.51 3doh h VAL 262 N 1.02 1.00 -0.70 0.00 2.07 -0.26 -0.80 116.25 118.59 3doh h VAL 262 Ca 0.26 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3doh h VAL 262 Cb -0.02 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.83 3doh h VAL 262 CO -0.05 0.14 0.37 0.40 0.02 0.00 0.00 177.57 178.46 3doh h ILE 263 N 0.79 0.91 -0.69 4.57 1.08 -1.29 0.14 117.51 123.02 3doh h ILE 263 Ca 0.32 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.52 3doh h ILE 263 Cb 0.18 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 3doh h ILE 263 CO -0.18 0.12 0.24 0.11 -0.69 0.00 0.00 178.15 177.75 3doh h LYS 264 N 0.66 1.04 -0.77 2.37 1.57 -1.26 -1.56 116.57 118.62 3doh h LYS 264 Ca 0.33 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3doh h LYS 264 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3doh h LYS 264 CO -0.22 0.87 0.42 0.82 -0.57 0.00 0.00 179.45 180.77 3doh h ILE 265 N 1.01 1.23 -0.69 1.86 2.04 -0.08 -0.89 117.51 122.00 3doh h ILE 265 Ca 0.23 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3doh h ILE 265 Cb 0.25 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 3doh h ILE 265 CO -0.01 0.26 0.43 0.40 0.00 0.00 0.00 178.15 179.22 3doh h ILE 266 N 1.07 1.07 -0.27 -0.67 2.04 -0.10 0.38 117.51 121.03 3doh h ILE 266 Ca 0.27 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3doh h ILE 266 Cb 0.03 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3doh h ILE 266 CO -0.04 0.15 0.01 0.03 0.00 0.00 0.00 178.15 178.30 3doh h ARG 267 N 0.82 0.48 -0.50 2.37 3.08 -0.85 -1.46 114.38 118.32 3doh h ARG 267 Ca 0.28 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.28 3doh h ARG 267 Cb 0.05 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 3doh h ARG 267 CO -0.12 0.62 0.03 -0.22 -1.07 0.00 0.00 179.97 179.21 3doh h LYS 268 N 0.27 0.15 -0.71 0.04 3.64 -0.90 0.15 116.57 119.20 3doh h LYS 268 Ca 0.08 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3doh h LYS 268 Cb 0.40 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3doh h LYS 268 CO 0.01 0.10 0.31 -0.07 -2.27 0.00 0.00 179.45 177.53 3doh h LEU 269 N 0.15 0.95 -0.85 5.20 3.38 -0.41 0.31 115.31 124.04 3doh h LEU 269 Ca 0.25 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3doh h LEU 269 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3doh h LEU 269 CO -0.39 0.84 0.09 -0.07 0.09 0.00 0.00 178.44 179.01 3doh h LEU 270 N 1.00 0.90 -0.24 1.67 3.38 -0.83 0.41 115.31 121.60 3doh h LEU 270 Ca 0.24 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3doh h LEU 270 Cb 0.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3doh h LEU 270 CO -0.03 0.91 -0.02 0.44 0.09 0.00 0.00 178.44 179.83 3doh h ASP 271 N 0.90 -0.14 1.34 -0.43 3.32 0.56 -3.25 116.42 118.73 3doh h ASP 271 Ca 0.18 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3doh h ASP 271 Cb 0.39 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3doh h ASP 271 CO 0.01 -0.04 -0.68 -0.33 -1.72 0.00 0.00 179.24 176.48 3doh h GLU 272 N 0.05 0.00 -5.38 3.56 5.08 0.29 -3.48 114.58 114.71 3doh h GLU 272 Ca 0.12 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.06 3doh h GLU 272 Cb 0.16 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.21 3doh h GLU 272 CO -0.21 0.16 -0.77 0.71 -1.00 0.00 0.00 179.01 177.89 3doh s TYR 273 N -3.15 1.28 -0.90 4.33 2.02 0.14 -5.04 117.35 116.03 3doh s TYR 273 Ca 0.02 -0.50 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 3doh s TYR 273 Cb 0.08 -0.70 -0.13 0.00 -0.40 0.00 0.00 41.96 40.80 3doh s TYR 273 CO 0.75 0.08 1.93 0.27 -1.57 0.00 0.00 175.55 177.01 3doh n ASN 274 N 1.01 2.72 -4.58 2.29 2.04 -1.26 -4.57 115.26 112.92 3doh n ASN 274 Ca -0.19 -2.69 -0.34 0.00 -0.44 0.00 0.00 54.58 50.92 3doh n ASN 274 Cb 0.55 -1.30 -0.11 0.00 -2.53 0.00 0.00 39.78 36.39 3doh n ASN 274 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3doh s ILE 275 N 6.59 3.86 -0.46 1.53 1.01 -1.26 -2.44 121.20 130.04 3doh s ILE 275 Ca 0.60 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 3doh s ILE 275 Cb 0.10 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.98 3doh s ILE 275 CO 0.12 0.57 1.19 -0.62 0.00 0.00 0.00 174.94 176.20 3doh s ASP 276 N -0.53 6.59 0.59 3.58 -1.08 0.31 -4.72 116.67 121.42 3doh s ASP 276 Ca 0.08 0.57 0.34 0.00 -0.52 0.00 0.00 52.55 53.03 3doh s ASP 276 Cb -0.12 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.68 3doh s ASP 276 CO 0.02 -1.27 2.23 -0.33 0.52 0.00 0.00 175.17 176.34 3doh h GLU 277 N 9.44 0.00 0.00 4.34 3.07 -1.97 -2.20 114.58 127.27 3doh h GLU 277 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3doh h GLU 277 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3doh h GLU 277 CO 1.12 0.03 0.00 0.09 -1.40 0.00 0.00 179.01 178.85 3doh n ASN 278 N -3.49 0.53 -3.21 1.42 3.02 -1.26 -4.25 115.26 108.03 3doh n ASN 278 Ca -0.02 0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 54.84 3doh n ASN 278 Cb 0.14 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 3doh n ASN 278 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3doh n ARG 279 N -2.01 1.66 -3.58 3.52 1.74 -0.82 -2.16 116.66 115.02 3doh n ARG 279 Ca 0.06 -3.91 -0.39 0.00 -0.77 0.00 0.00 57.85 52.84 3doh n ARG 279 Cb 0.38 -1.77 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 3doh n ARG 279 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3doh s ILE 280 N -2.36 5.25 0.04 0.55 1.01 -1.25 -1.46 121.20 122.97 3doh s ILE 280 Ca 0.40 0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.08 3doh s ILE 280 Cb 0.23 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3doh s ILE 280 CO -0.08 0.16 0.06 -0.31 0.00 0.00 0.00 174.94 174.77 3doh s TYR 281 N 1.74 3.19 -0.02 3.97 2.02 0.20 -0.50 117.35 127.94 3doh s TYR 281 Ca 0.07 0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 3doh s TYR 281 Cb -0.16 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3doh s TYR 281 CO 0.10 0.52 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.97 3doh s ILE 282 N -1.27 1.10 0.03 2.71 2.07 -0.78 -0.54 121.20 124.51 3doh s ILE 282 Ca 0.25 -0.57 -0.13 0.00 -1.41 0.00 0.00 60.65 58.79 3doh s ILE 282 Cb -0.12 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.55 3doh s ILE 282 CO 0.17 0.32 0.29 0.28 -1.91 0.00 0.00 174.94 174.09 3doh s THR 283 N -0.13 0.08 0.04 4.00 -1.32 -0.48 -0.41 115.64 117.42 3doh s THR 283 Ca 0.02 -0.66 -0.29 0.00 -1.21 0.00 0.00 61.69 59.55 3doh s THR 283 Cb -0.07 -0.86 0.10 0.00 -1.51 0.00 0.00 72.50 70.16 3doh s THR 283 CO 0.00 -0.36 1.19 -0.83 -2.21 0.00 0.00 174.62 172.41 3doh s GLY 284 N -1.89 -0.34 -0.10 6.08 0.00 -0.98 -1.06 107.32 109.03 3doh s GLY 284 Ca -0.07 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 3doh s GLY 284 CO -0.02 0.37 -0.04 -2.27 0.00 0.00 0.00 173.10 171.14 3doh s LEU 285 N -3.02 0.94 0.00 0.66 0.20 -0.70 -0.23 118.68 116.53 3doh s LEU 285 Ca 0.14 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.74 3doh s LEU 285 Cb 0.03 -0.67 0.00 0.00 -0.43 0.00 0.00 46.19 45.12 3doh s LEU 285 CO -0.02 -0.15 0.00 -0.24 -0.29 0.00 0.00 176.35 175.65 3doh n SER 286 N 5.03 0.00 -0.26 3.68 2.88 0.75 0.45 113.62 126.16 3doh n SER 286 Ca -0.10 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.47 3doh n SER 286 Cb 0.50 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.12 3doh n SER 286 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3doh h MET 287 N 0.00 0.56 0.00 -1.46 1.85 -1.86 0.30 114.93 114.32 3doh h MET 287 Ca 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 3doh h MET 287 Cb 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 31.90 3doh h MET 287 CO 0.00 0.37 0.00 0.41 -0.40 0.00 0.00 176.91 177.29 3doh n GLY 288 N -1.31 -1.28 0.31 1.39 0.00 0.17 -1.05 105.19 103.43 3doh n GLY 288 Ca 0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3doh n GLY 288 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3doh h GLY 289 N 3.45 -0.75 -0.07 -0.02 0.00 -0.18 -1.32 103.07 104.18 3doh h GLY 289 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 47.33 47.70 3doh h GLY 289 CO 0.00 -0.27 -0.20 -0.97 0.00 0.00 0.00 176.54 175.10 3doh h TYR 290 N -1.14 -0.49 -0.97 5.60 0.05 -1.15 -0.92 116.97 117.94 3doh h TYR 290 Ca -0.07 0.05 0.23 0.00 0.05 0.00 0.00 58.73 58.99 3doh h TYR 290 Cb 0.59 0.29 -0.18 0.00 1.01 0.00 0.00 36.73 38.44 3doh h TYR 290 CO 0.01 -0.28 -0.10 0.78 -1.05 0.00 0.00 178.16 177.51 3doh h GLY 291 N -0.10 0.98 0.71 3.88 0.00 -1.16 0.83 103.07 108.21 3doh h GLY 291 Ca 0.22 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 3doh h GLY 291 CO -0.53 -0.44 -0.04 -0.84 0.00 0.00 0.00 176.54 174.69 3doh h THR 292 N 0.01 1.09 -0.34 4.70 2.02 0.03 -1.49 112.91 118.92 3doh h THR 292 Ca 0.53 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3doh h THR 292 Cb 0.97 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3doh h THR 292 CO -0.95 0.16 0.18 -0.50 0.37 0.00 0.00 175.52 174.77 3doh h TRP 293 N -0.40 0.33 -0.90 3.16 4.06 -1.05 -2.16 115.95 118.98 3doh h TRP 293 Ca -0.01 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3doh h TRP 293 Cb 0.34 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.34 3doh h TRP 293 CO 0.02 0.18 0.58 1.15 -3.56 0.00 0.00 178.44 176.81 3doh h THR 294 N 0.37 1.10 -0.17 1.49 2.02 -0.81 -0.71 112.91 116.20 3doh h THR 294 Ca 0.14 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 3doh h THR 294 Cb 0.04 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 3doh h THR 294 CO -0.09 0.20 -0.48 0.00 0.37 0.00 0.00 175.52 175.52 3doh h ALA 295 N 1.40 0.87 -0.00 6.16 0.00 -0.74 -1.75 119.26 125.20 3doh h ALA 295 Ca 0.38 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3doh h ALA 295 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3doh h ALA 295 CO -0.15 0.66 -0.91 0.82 0.00 0.00 0.00 179.25 179.67 3doh h ILE 296 N 0.35 1.42 0.00 0.00 2.04 -1.11 -1.71 117.51 118.49 3doh h ILE 296 Ca 0.02 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.38 3doh h ILE 296 Cb 0.97 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 3doh h ILE 296 CO 0.08 0.73 -0.18 0.24 0.00 0.00 0.00 178.15 179.03 3doh h MET 297 N 0.20 0.00 0.00 2.37 2.86 -0.90 -2.79 114.93 116.66 3doh h MET 297 Ca -0.07 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3doh h MET 297 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 3doh h MET 297 CO 0.15 0.18 -1.99 0.39 1.06 0.00 0.00 176.91 176.69 3doh n GLU 298 N -3.15 0.67 -3.14 1.72 -0.58 -0.68 -4.65 120.64 110.83 3doh n GLU 298 Ca 0.03 -0.15 -0.20 0.00 -0.42 0.00 0.00 57.16 56.42 3doh n GLU 298 Cb 0.59 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 3doh n GLU 298 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3doh n PHE 299 N -2.29 0.97 0.71 -0.32 3.72 -0.64 -4.97 117.46 114.63 3doh n PHE 299 Ca -0.08 -3.85 0.10 0.00 -0.05 0.00 0.00 57.45 53.56 3doh n PHE 299 Cb 0.63 -0.43 0.44 0.00 -0.94 0.00 0.00 39.48 39.18 3doh n PHE 299 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3doh n PRO 300 N 0.20 0.01 0.00 -1.08 -0.04 -1.05 -1.65 135.00 131.39 3doh n PRO 300 Ca 0.26 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 3doh n PRO 300 Cb 0.60 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.87 3doh n PRO 300 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3doh n GLU 301 N -1.49 0.01 0.05 0.54 1.02 -1.26 -4.36 120.64 115.15 3doh n GLU 301 Ca 0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.98 3doh n GLU 301 Cb 0.23 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 3doh n GLU 301 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3doh h LEU 302 N 0.00 0.53 -9.59 -4.62 5.85 -1.70 -3.48 115.31 102.30 3doh h LEU 302 Ca 0.00 -0.92 -0.67 0.00 0.84 0.00 0.00 57.88 57.14 3doh h LEU 302 Cb 0.51 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3doh h LEU 302 CO 0.00 1.79 -0.51 -0.36 -0.34 0.00 0.00 178.44 179.02 3doh s PHE 303 N -2.57 3.50 -0.01 1.25 0.08 -1.26 -4.60 117.98 114.36 3doh s PHE 303 Ca -0.18 0.43 0.12 0.00 0.12 0.00 0.00 56.93 57.42 3doh s PHE 303 Cb 0.06 -1.89 -0.23 0.00 -0.57 0.00 0.00 43.02 40.39 3doh s PHE 303 CO 0.83 0.67 0.77 0.00 -0.10 0.00 0.00 175.22 177.39 3doh h ALA 304 N 4.82 0.70 -2.81 5.36 0.00 -1.05 -3.48 119.26 122.79 3doh h ALA 304 Ca -0.53 -1.37 0.08 0.00 0.00 0.00 0.00 54.91 53.09 3doh h ALA 304 Cb 1.22 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 3doh h ALA 304 CO 0.59 1.53 0.30 0.00 0.00 0.00 0.00 179.25 181.67 3doh s ALA 305 N -2.62 -1.40 -0.05 0.00 0.00 -1.25 -4.00 121.76 112.44 3doh s ALA 305 Ca -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 3doh s ALA 305 Cb 0.08 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.00 3doh s ALA 305 CO 0.82 -0.99 0.18 0.00 0.00 0.00 0.00 175.76 175.78 3doh s ALA 306 N -3.71 -0.44 -0.43 0.00 0.00 -0.81 -1.87 121.76 114.49 3doh s ALA 306 Ca 0.10 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3doh s ALA 306 Cb -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.04 3doh s ALA 306 CO 0.02 -0.14 0.20 0.42 0.00 0.00 0.00 175.76 176.27 3doh s ILE 307 N -0.42 1.71 -0.20 0.00 1.01 0.46 -1.14 121.20 122.62 3doh s ILE 307 Ca -0.05 -2.53 -0.28 0.00 0.00 0.00 0.00 60.65 57.79 3doh s ILE 307 Cb -0.03 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3doh s ILE 307 CO 0.01 -0.80 0.96 -2.16 0.00 0.00 0.00 174.94 172.95 3doh s PRO 308 N 0.46 4.28 -0.23 2.79 0.04 -1.25 -2.31 135.00 138.78 3doh s PRO 308 Ca 0.15 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3doh s PRO 308 Cb -0.23 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 3doh s PRO 308 CO -0.05 -0.50 0.07 0.42 0.04 0.00 0.00 177.00 176.99 3doh s ILE 309 N 2.74 4.49 -1.42 0.56 1.01 0.68 -2.71 121.20 126.54 3doh s ILE 309 Ca 0.42 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 3doh s ILE 309 Cb -0.16 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.24 3doh s ILE 309 CO 0.10 0.36 0.27 0.00 0.00 0.00 0.00 174.94 175.67 3doh n GLY 311 N -2.33 5.23 3.25 0.00 0.00 -1.26 -3.79 105.19 106.29 3doh n GLY 311 Ca -0.26 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.53 3doh n GLY 311 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3doh s GLY 312 N -0.69 1.77 0.28 -0.02 0.00 -1.26 -3.65 107.32 103.75 3doh s GLY 312 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 44.72 42.78 3doh s GLY 312 CO 0.00 -1.46 0.68 0.61 0.00 0.00 0.00 173.10 172.93 3doh n GLY 313 N -0.42 1.07 3.58 0.20 0.00 -1.26 -3.94 105.19 104.42 3doh n GLY 313 Ca 0.03 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 3doh n GLY 313 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3doh s ASP 314 N -2.74 6.54 0.41 1.61 -1.08 -1.26 -4.93 116.67 115.22 3doh s ASP 314 Ca 0.14 0.23 0.18 0.00 -0.52 0.00 0.00 52.55 52.58 3doh s ASP 314 Cb -0.04 -2.49 0.89 0.00 -1.46 0.00 0.00 42.92 39.83 3doh s ASP 314 CO 0.08 -1.12 1.87 1.62 0.52 0.00 0.00 175.17 178.14 3doh h VAL 315 N 6.14 1.00 0.00 1.11 3.04 -1.99 -1.34 116.25 124.22 3doh h VAL 315 Ca -0.24 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 3doh h VAL 315 Cb 1.07 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 3doh h VAL 315 CO 1.06 0.30 0.04 -1.54 -1.01 0.00 0.00 177.57 176.42 3doh n SER 316 N -3.86 0.39 -0.48 3.17 3.41 -1.26 -2.50 113.62 112.49 3doh n SER 316 Ca -0.01 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.33 3doh n SER 316 Cb 0.39 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3doh n SER 316 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3doh n LYS 317 N -2.02 2.50 0.20 4.33 5.02 -0.50 -4.68 118.16 123.00 3doh n LYS 317 Ca -0.01 -2.38 0.05 0.00 -2.02 0.00 0.00 58.31 53.96 3doh n LYS 317 Cb 0.06 -1.49 0.41 0.00 -0.02 0.00 0.00 35.03 33.99 3doh n LYS 317 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3doh h VAL 318 N 1.08 1.00 -0.20 -0.18 2.07 -1.57 -2.95 116.25 115.50 3doh h VAL 318 Ca 0.00 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 3doh h VAL 318 Cb 1.02 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3doh h VAL 318 CO 0.08 0.33 -0.06 -0.08 0.02 0.00 0.00 177.57 177.86 3doh h GLU 319 N 0.00 0.30 -0.15 1.57 4.57 -1.84 -1.04 114.58 118.00 3doh h GLU 319 Ca -0.00 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3doh h GLU 319 Cb 0.72 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3doh h GLU 319 CO 0.04 0.38 0.12 0.00 -1.18 0.00 0.00 179.01 178.37 3doh h ARG 320 N 0.29 0.00 -0.31 1.92 3.08 -1.89 -3.13 114.38 114.34 3doh h ARG 320 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3doh h ARG 320 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3doh h ARG 320 CO 0.01 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.35 3doh n ILE 321 N -4.30 1.04 0.20 2.04 -5.35 -0.41 -4.68 119.36 107.89 3doh n ILE 321 Ca 0.01 -1.03 0.09 0.00 -0.27 0.00 0.00 62.75 61.55 3doh n ILE 321 Cb 0.24 0.48 0.50 0.00 -1.74 0.00 0.00 39.64 39.12 3doh n ILE 321 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3doh h LYS 322 N 1.82 0.00 -0.30 6.28 2.10 -1.45 -1.34 116.57 123.67 3doh h LYS 322 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3doh h LYS 322 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3doh h LYS 322 CO 0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 3doh n ASP 323 N -2.26 2.85 -4.64 7.07 8.00 -1.26 -4.17 116.55 122.13 3doh n ASP 323 Ca -0.01 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.25 3doh n ASP 323 Cb 0.27 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3doh n ASP 323 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3doh s ILE 324 N -1.07 5.32 0.19 0.53 1.01 -0.51 -5.05 121.20 121.63 3doh s ILE 324 Ca 0.25 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.86 3doh s ILE 324 Cb 0.14 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 3doh s ILE 324 CO 0.20 0.30 1.42 -2.84 0.00 0.00 0.00 174.94 174.02 3doh s PRO 325 N 1.29 4.30 -0.01 2.79 0.02 -1.26 -4.77 135.00 137.35 3doh s PRO 325 Ca 0.09 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3doh s PRO 325 Cb -0.14 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3doh s PRO 325 CO 0.06 -0.42 0.01 0.42 -0.33 0.00 0.00 177.00 176.74 3doh s ILE 326 N 0.48 0.04 -0.25 2.83 1.01 -0.72 -1.93 121.20 122.66 3doh s ILE 326 Ca 0.62 0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.37 3doh s ILE 326 Cb -0.40 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.02 3doh s ILE 326 CO 0.37 0.07 -0.09 0.86 0.00 0.00 0.00 174.94 176.15 3doh s TRP 327 N 0.57 2.90 0.11 3.97 -0.11 -0.29 -0.68 118.94 125.40 3doh s TRP 327 Ca -0.05 -2.08 -0.20 0.00 1.22 0.00 0.00 56.10 54.99 3doh s TRP 327 Cb -0.07 -1.78 -0.07 0.00 -1.50 0.00 0.00 33.47 30.04 3doh s TRP 327 CO -0.01 -0.84 0.62 0.08 -4.62 0.00 0.00 176.95 172.18 3doh s VAL 328 N 1.23 4.66 0.01 5.86 1.01 -0.94 -3.90 120.40 128.33 3doh s VAL 328 Ca -0.08 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.22 3doh s VAL 328 Cb -0.19 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3doh s VAL 328 CO -0.06 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.08 3doh s PHE 329 N -1.18 0.94 -0.29 5.22 0.08 -1.10 -1.59 117.98 120.06 3doh s PHE 329 Ca 0.32 -0.26 -0.25 0.00 0.12 0.00 0.00 56.93 56.86 3doh s PHE 329 Cb -0.20 -0.58 0.14 0.00 -0.57 0.00 0.00 43.02 41.81 3doh s PHE 329 CO 0.21 -0.01 1.12 -1.58 -0.10 0.00 0.00 175.22 174.86 3doh s HIS 330 N -0.57 -0.38 0.08 0.36 2.46 -1.17 -0.70 115.29 115.37 3doh s HIS 330 Ca 0.01 0.93 -0.16 0.00 0.47 0.00 0.00 55.06 56.32 3doh s HIS 330 Cb -0.06 0.39 -0.06 0.00 -0.13 0.00 0.00 32.58 32.72 3doh s HIS 330 CO 0.00 -0.18 0.51 0.00 -2.47 0.00 0.00 174.74 172.60 3doh s ALA 331 N 0.19 3.62 0.30 1.58 0.00 -1.26 -2.08 121.76 124.12 3doh s ALA 331 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.96 3doh s ALA 331 Cb -0.05 -2.52 0.78 0.00 0.00 0.00 0.00 23.12 21.34 3doh s ALA 331 CO -0.08 0.45 1.75 1.49 0.00 0.00 0.00 175.76 179.36 3doh h GLU 332 N 4.23 0.61 -0.80 0.00 4.57 -1.14 -2.31 114.58 119.74 3doh h GLU 332 Ca -0.50 -0.04 -0.47 0.00 -1.18 0.00 0.00 59.36 57.18 3doh h GLU 332 Cb 1.21 -0.14 -0.26 0.00 -0.16 0.00 0.00 28.75 29.40 3doh h GLU 332 CO 0.64 0.41 0.38 -0.40 -1.18 0.00 0.00 179.01 178.85 3doh n ASP 333 N -4.86 4.45 -4.63 1.04 5.75 -1.26 -4.65 116.55 112.39 3doh n ASP 333 Ca 0.24 -3.72 -0.43 0.00 -0.01 0.00 0.00 54.79 50.88 3doh n ASP 333 Cb 0.65 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3doh n ASP 333 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3doh s ASP 334 N -1.98 6.25 0.00 -1.12 -1.08 -0.87 -4.71 116.67 113.17 3doh s ASP 334 Ca 0.55 1.81 0.25 0.00 -0.52 0.00 0.00 52.55 54.63 3doh s ASP 334 Cb 0.46 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 40.12 3doh s ASP 334 CO 0.04 -1.33 1.56 -0.81 0.52 0.00 0.00 175.17 175.15 3doh n PRO 335 N 7.80 1.91 -0.09 4.34 -0.04 -1.26 -4.28 135.00 143.39 3doh n PRO 335 Ca 0.21 -1.34 -0.15 0.00 -0.04 0.00 0.00 63.50 62.17 3doh n PRO 335 Cb 0.45 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3doh n PRO 335 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3doh n VAL 336 N 0.60 1.39 -3.83 0.52 0.31 -1.26 -4.93 118.33 111.13 3doh n VAL 336 Ca 0.17 -0.04 -0.36 0.00 -0.01 0.00 0.00 64.34 64.10 3doh n VAL 336 Cb 0.43 -2.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.17 3doh n VAL 336 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3doh s VAL 337 N -2.62 3.41 0.26 2.52 1.01 -1.26 -5.08 120.40 118.64 3doh s VAL 337 Ca -0.28 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 60.22 3doh s VAL 337 Cb 0.07 -2.91 -0.13 0.00 0.00 0.00 0.00 36.38 33.42 3doh s VAL 337 CO 0.39 -0.09 1.48 -2.65 0.00 0.00 0.00 175.10 174.22 3doh n PRO 338 N 4.73 2.28 0.05 2.72 -0.02 -1.26 -4.64 135.00 138.86 3doh n PRO 338 Ca -0.13 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.32 3doh n PRO 338 Cb 0.45 -2.51 0.64 0.00 -0.02 0.00 0.00 33.50 32.05 3doh n PRO 338 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3doh h VAL 339 N 3.15 0.83 -0.12 -1.45 3.04 -1.81 -1.13 116.25 118.76 3doh h VAL 339 Ca -0.46 -0.03 0.03 0.00 -1.01 0.00 0.00 66.70 65.24 3doh h VAL 339 Cb 1.26 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3doh h VAL 339 CO 0.77 0.01 0.14 -0.08 -1.01 0.00 0.00 177.57 177.40 3doh h GLU 340 N 0.08 0.00 -0.09 4.17 4.57 -1.94 0.33 114.58 121.69 3doh h GLU 340 Ca 0.20 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3doh h GLU 340 Cb 0.68 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3doh h GLU 340 CO -0.02 0.00 -0.15 -0.91 -1.18 0.00 0.00 179.01 176.76 3doh h ASN 341 N 0.00 0.14 0.17 1.04 -0.26 -1.47 -0.46 115.58 114.74 3doh h ASN 341 Ca 0.06 -0.03 -0.27 0.00 -0.56 0.00 0.00 56.30 55.51 3doh h ASN 341 Cb 0.33 -0.04 0.02 0.00 -1.06 0.00 0.00 38.32 37.58 3doh h ASN 341 CO -0.00 0.30 -1.23 0.28 -1.06 0.00 0.00 177.43 175.72 3doh h SER 342 N 0.14 0.58 -0.67 5.81 0.02 -1.02 -3.35 113.55 115.07 3doh h SER 342 Ca 0.03 -0.92 0.08 0.00 -0.84 0.00 0.00 61.79 60.14 3doh h SER 342 Cb 0.35 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3doh h SER 342 CO 0.02 1.58 0.33 0.03 -1.14 0.00 0.00 176.83 177.65 3doh h ARG 343 N -0.16 0.57 -0.51 3.45 3.08 -1.04 0.02 114.38 119.79 3doh h ARG 343 Ca -0.23 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 3doh h ARG 343 Cb 1.87 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 3doh h ARG 343 CO 0.17 0.38 0.10 -0.24 -1.07 0.00 0.00 179.97 179.31 3doh h VAL 344 N 0.59 1.25 -0.40 2.04 3.04 -1.26 0.23 116.25 121.73 3doh h VAL 344 Ca 0.32 -0.89 -0.09 0.00 -1.01 0.00 0.00 66.70 65.03 3doh h VAL 344 Cb 0.30 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 3doh h VAL 344 CO -0.24 0.32 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.48 3doh h LEU 345 N 0.71 0.78 -0.61 3.16 3.38 -1.59 -2.27 115.31 118.87 3doh h LEU 345 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3doh h LEU 345 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3doh h LEU 345 CO 0.01 0.96 0.36 0.58 0.09 0.00 0.00 178.44 180.43 3doh h VAL 346 N 0.59 1.18 -0.03 1.22 2.07 -0.46 -0.59 116.25 120.23 3doh h VAL 346 Ca 0.10 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3doh h VAL 346 Cb 0.61 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3doh h VAL 346 CO 0.04 0.19 0.01 0.50 0.02 0.00 0.00 177.57 178.32 3doh h LYS 347 N 0.82 0.05 -0.46 1.57 3.64 -0.44 -0.49 116.57 121.26 3doh h LYS 347 Ca 0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3doh h LYS 347 Cb -0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3doh h LYS 347 CO -0.04 0.27 0.29 -0.22 -2.27 0.00 0.00 179.45 177.48 3doh h LYS 348 N -0.18 0.61 0.27 1.90 1.63 -1.29 -1.65 116.57 117.86 3doh h LYS 348 Ca 0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3doh h LYS 348 Cb 0.24 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 3doh h LYS 348 CO 0.00 0.42 -0.25 1.25 -3.45 0.00 0.00 179.45 177.42 3doh h LEU 349 N 0.61 -0.67 -0.44 5.20 5.85 -0.91 -2.72 115.31 122.24 3doh h LEU 349 Ca 0.17 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.00 3doh h LEU 349 Cb -0.04 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3doh h LEU 349 CO -0.03 -0.37 0.15 0.00 -0.34 0.00 0.00 178.44 177.85 3doh h ALA 350 N 0.09 0.52 0.00 1.25 0.00 -1.01 -0.49 119.26 119.63 3doh h ALA 350 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3doh h ALA 350 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3doh h ALA 350 CO -0.04 -0.23 0.00 -0.85 0.00 0.00 0.00 179.25 178.12 3doh n GLU 351 N -5.01 0.32 -0.05 0.00 0.28 -0.63 -2.18 120.64 113.37 3doh n GLU 351 Ca 0.03 0.08 0.04 0.00 -0.16 0.00 0.00 57.16 57.16 3doh n GLU 351 Cb 0.17 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.60 3doh n GLU 351 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3doh n ILE 352 N -1.26 0.38 0.00 3.84 2.08 -0.98 -4.96 119.36 118.46 3doh n ILE 352 Ca 0.10 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.72 3doh n ILE 352 Cb 0.15 0.92 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 3doh n ILE 352 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3doh n GLY 353 N 0.40 0.77 7.00 7.39 0.00 -0.93 -5.05 105.19 114.79 3doh n GLY 353 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3doh n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3doh n GLY 354 N -1.57 1.63 1.57 -0.02 0.00 -0.23 -4.96 105.19 101.61 3doh n GLY 354 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 3doh n GLY 354 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3doh n LYS 355 N 12.54 -1.28 -4.60 1.61 5.02 -1.26 -4.34 118.16 125.86 3doh n LYS 355 Ca 0.00 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 3doh n LYS 355 Cb 0.00 -3.11 -0.16 0.00 -0.02 0.00 0.00 35.03 31.73 3doh n LYS 355 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3doh s VAL 356 N -3.06 1.13 0.46 -0.18 0.11 -1.26 -1.76 120.40 115.83 3doh s VAL 356 Ca 0.03 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.67 3doh s VAL 356 Cb -0.01 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3doh s VAL 356 CO 0.13 0.35 0.50 -0.13 -3.33 0.00 0.00 175.10 172.63 3doh s ARG 357 N 0.56 2.55 -0.29 1.54 0.52 0.14 -4.99 118.95 118.98 3doh s ARG 357 Ca -0.12 -1.52 -0.13 0.00 -0.52 0.00 0.00 55.73 53.43 3doh s ARG 357 Cb -0.15 -2.50 0.12 0.00 0.52 0.00 0.00 34.95 32.94 3doh s ARG 357 CO 0.03 -0.37 0.73 -0.47 0.02 0.00 0.00 175.30 175.25 3doh s TYR 358 N -2.50 -1.10 -0.22 -0.53 5.04 -1.26 -2.22 117.35 114.56 3doh s TYR 358 Ca 0.51 2.02 0.01 0.00 -2.44 0.00 0.00 57.07 57.16 3doh s TYR 358 Cb -0.05 0.66 0.05 0.00 0.35 0.00 0.00 41.96 42.97 3doh s TYR 358 CO 0.30 -0.54 -0.08 0.99 -1.34 0.00 0.00 175.55 174.88 3doh s THR 359 N 2.25 1.64 -0.56 4.34 2.01 -0.62 -4.98 115.64 119.71 3doh s THR 359 Ca -0.07 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 60.66 3doh s THR 359 Cb -0.08 -1.82 0.15 0.00 0.01 0.00 0.00 72.50 70.76 3doh s THR 359 CO -0.19 0.00 0.42 -0.70 -0.69 0.00 0.00 174.62 173.47 3doh s GLU 360 N 1.36 2.63 -0.07 4.92 2.12 -1.26 -3.05 118.70 125.36 3doh s GLU 360 Ca -0.05 -2.09 -0.38 0.00 0.36 0.00 0.00 54.97 52.81 3doh s GLU 360 Cb -0.18 -3.92 -0.16 0.00 0.26 0.00 0.00 34.13 30.13 3doh s GLU 360 CO -0.07 -1.19 1.50 0.66 -0.54 0.00 0.00 175.26 175.62 3doh n TYR 361 N 4.34 1.72 -1.78 5.30 4.01 -0.88 -4.75 117.16 125.11 3doh n TYR 361 Ca 0.00 0.61 -0.38 0.00 -0.16 0.00 0.00 57.90 57.97 3doh n TYR 361 Cb 0.41 -2.38 0.05 0.00 -0.31 0.00 0.00 39.34 37.11 3doh n TYR 361 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3doh s GLU 362 N 1.74 2.95 0.36 -0.72 2.02 -1.26 -0.59 118.70 123.20 3doh s GLU 362 Ca 0.90 2.16 -0.26 0.00 0.02 0.00 0.00 54.97 57.79 3doh s GLU 362 Cb -1.01 -2.12 -0.12 0.00 0.10 0.00 0.00 34.13 30.98 3doh s GLU 362 CO 0.55 -1.31 1.05 1.17 0.02 0.00 0.00 175.26 176.74 3doh n LYS 363 N -1.32 1.49 0.00 1.61 4.81 -1.26 -1.55 118.16 121.93 3doh n LYS 363 Ca 0.12 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3doh n LYS 363 Cb 0.46 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.50 3doh n LYS 363 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3doh n GLY 364 N 1.13 2.84 0.29 3.14 0.00 -1.26 -4.88 105.19 106.45 3doh n GLY 364 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3doh n GLY 364 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3doh h PHE 365 N 0.00 -0.71 0.13 1.61 3.57 -1.65 0.87 116.94 120.76 3doh h PHE 365 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3doh h PHE 365 Cb 0.00 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3doh h PHE 365 CO 0.00 -0.34 -0.06 0.52 -2.23 0.00 0.00 178.31 176.20 3doh h MET 366 N -0.29 -0.17 -0.33 1.11 2.86 -1.86 -2.61 114.93 113.64 3doh h MET 366 Ca 0.12 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3doh h MET 366 Cb 0.48 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3doh h MET 366 CO -0.37 0.05 0.06 0.93 1.06 0.00 0.00 176.91 178.63 3doh h GLU 367 N -0.36 0.48 0.00 1.72 5.08 -1.56 0.34 114.58 120.29 3doh h GLU 367 Ca -0.02 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3doh h GLU 367 Cb 0.29 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3doh h GLU 367 CO 0.03 0.46 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.27 3doh h LYS 368 N 0.47 0.00 -0.24 2.33 3.64 -0.49 -2.61 116.57 119.67 3doh h LYS 368 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3doh h LYS 368 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3doh h LYS 368 CO -0.00 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 177.91 3doh n HIS 369 N -4.03 0.31 -0.83 1.91 8.25 0.02 -4.97 115.22 115.87 3doh n HIS 369 Ca -0.03 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 3doh n HIS 369 Cb 0.10 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3doh n HIS 369 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3doh n GLY 370 N 1.13 0.71 3.43 -1.41 0.00 -0.65 -5.08 105.19 103.32 3doh n GLY 370 Ca 0.14 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 3doh n GLY 370 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3doh s TRP 371 N -2.00 2.55 0.26 1.61 0.51 -0.77 -5.00 118.94 116.11 3doh s TRP 371 Ca 0.00 -0.27 -0.31 0.00 -2.12 0.00 0.00 56.10 53.41 3doh s TRP 371 Cb 0.00 -1.53 -0.12 0.00 -0.81 0.00 0.00 33.47 31.01 3doh s TRP 371 CO 0.00 0.16 1.59 -3.47 -0.51 0.00 0.00 176.95 174.72 3doh n ASP 372 N 2.02 3.69 0.00 2.95 -0.08 -1.26 -3.39 116.55 120.48 3doh n ASP 372 Ca -0.16 1.13 0.02 0.00 -1.51 0.00 0.00 54.79 54.26 3doh n ASP 372 Cb 0.52 -1.56 0.11 0.00 2.34 0.00 0.00 41.12 42.53 3doh n ASP 372 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3doh n PRO 373 N 2.51 0.30 0.05 -0.67 -0.04 -1.26 -0.81 135.00 135.08 3doh n PRO 373 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 3doh n PRO 373 Cb 0.35 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 3doh n PRO 373 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3doh h HIS 374 N 0.00 0.00 -0.09 0.54 2.76 -1.89 -3.33 115.15 113.14 3doh h HIS 374 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3doh h HIS 374 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 3doh h HIS 374 CO 0.00 0.45 0.07 0.41 -1.30 0.00 0.00 177.93 177.56 3doh n GLY 375 N 1.34 2.44 0.04 5.26 0.00 0.01 -4.56 105.19 109.74 3doh n GLY 375 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.84 3doh n GLY 375 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3doh n SER 376 N 0.70 0.14 0.30 1.61 3.41 -1.26 0.20 113.62 118.72 3doh n SER 376 Ca 0.06 0.55 0.19 0.00 -0.26 0.00 0.00 58.87 59.41 3doh n SER 376 Cb 0.57 -0.57 0.90 0.00 -0.26 0.00 0.00 64.21 64.86 3doh n SER 376 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3doh h TRP 377 N 0.00 0.00 0.50 7.33 0.09 -1.94 -3.00 115.95 118.92 3doh h TRP 377 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 3doh h TRP 377 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.29 3doh h TRP 377 CO 0.00 0.01 -0.24 0.82 0.09 0.00 0.00 178.44 179.12 3doh h ILE 378 N 0.00 0.32 0.00 0.12 2.04 -0.57 -1.03 117.51 118.39 3doh h ILE 378 Ca -0.00 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3doh h ILE 378 Cb 0.30 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3doh h ILE 378 CO 0.00 0.05 -0.11 1.55 0.00 0.00 0.00 178.15 179.65 3doh h PRO 379 N -1.02 0.00 -0.16 2.37 0.13 -1.78 -2.67 132.00 128.87 3doh h PRO 379 Ca -0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 3doh h PRO 379 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 3doh h PRO 379 CO 0.11 0.11 -0.25 1.15 -0.23 0.00 0.00 178.00 178.89 3doh h THR 380 N 0.00 1.35 0.00 1.56 2.02 -1.36 -1.77 112.91 114.70 3doh h THR 380 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3doh h THR 380 Cb 0.52 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3doh h THR 380 CO 0.01 0.44 0.00 -1.22 0.37 0.00 0.00 175.52 175.12 3doh n TYR 381 N -4.43 0.02 0.83 3.16 4.01 -0.41 -1.68 117.16 118.66 3doh n TYR 381 Ca -0.06 0.01 0.10 0.00 -0.16 0.00 0.00 57.90 57.78 3doh n TYR 381 Cb 0.44 -0.51 0.28 0.00 -0.31 0.00 0.00 39.34 39.24 3doh n TYR 381 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3doh n GLU 382 N -1.52 1.98 -3.34 -0.72 -0.58 -0.74 -4.82 120.64 110.90 3doh n GLU 382 Ca 0.06 -1.50 -0.45 0.00 -0.42 0.00 0.00 57.16 54.85 3doh n GLU 382 Cb 0.30 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 3doh n GLU 382 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3doh s ASN 383 N -1.35 6.15 0.57 1.62 3.84 -0.68 -4.93 114.94 120.15 3doh s ASN 383 Ca 0.33 -1.70 0.28 0.00 0.21 0.00 0.00 52.86 51.97 3doh s ASN 383 Cb 0.18 -2.19 1.69 0.00 -0.55 0.00 0.00 41.25 40.38 3doh s ASN 383 CO 0.25 -0.80 2.21 -0.61 -2.79 0.00 0.00 177.10 175.36 3doh h GLN 384 N 8.83 0.00 -0.50 0.43 4.15 -1.87 0.12 115.11 126.26 3doh h GLN 384 Ca -0.29 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.09 3doh h GLN 384 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 3doh h GLN 384 CO 0.99 0.03 0.13 1.49 -1.93 0.00 0.00 178.83 179.54 3doh h GLU 385 N 0.00 0.76 0.09 1.69 4.81 -1.96 -2.43 114.58 117.54 3doh h GLU 385 Ca -0.00 -0.14 -0.28 0.00 -0.13 0.00 0.00 59.36 58.80 3doh h GLU 385 Cb 0.07 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.35 3doh h GLU 385 CO 0.00 0.68 -1.18 0.00 -0.73 0.00 0.00 179.01 177.78 3doh h ALA 386 N 1.41 0.07 -0.02 2.92 0.00 -1.10 -0.90 119.26 121.64 3doh h ALA 386 Ca 0.17 -0.76 0.03 0.00 0.00 0.00 0.00 54.91 54.35 3doh h ALA 386 Cb 0.26 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3doh h ALA 386 CO -0.00 0.72 -0.35 0.82 0.00 0.00 0.00 179.25 180.44 3doh h ILE 387 N 0.28 0.26 -0.55 0.00 5.03 -1.54 -1.60 117.51 119.38 3doh h ILE 387 Ca -0.16 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.59 3doh h ILE 387 Cb 1.85 0.26 -0.03 0.00 -3.03 0.00 0.00 36.82 35.87 3doh h ILE 387 CO 0.22 0.00 0.35 -0.33 -0.68 0.00 0.00 178.15 177.72 3doh h GLU 388 N -0.49 0.69 -0.50 2.37 4.39 -1.39 -2.10 114.58 117.55 3doh h GLU 388 Ca 0.06 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.81 3doh h GLU 388 Cb 0.58 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 3doh h GLU 388 CO -0.29 0.46 0.10 2.35 -1.16 0.00 0.00 179.01 180.46 3doh h TRP 389 N 0.72 0.15 -0.42 4.33 7.01 -0.90 -2.33 115.95 124.51 3doh h TRP 389 Ca 0.21 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.27 3doh h TRP 389 Cb -0.04 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 3doh h TRP 389 CO -0.05 -0.01 0.22 1.25 -2.79 0.00 0.00 178.44 177.06 3doh h LEU 390 N 0.23 0.32 0.00 0.65 5.85 -0.61 -1.04 115.31 120.72 3doh h LEU 390 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3doh h LEU 390 Cb 0.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3doh h LEU 390 CO -0.33 0.23 0.00 0.49 -0.34 0.00 0.00 178.44 178.50 3doh n PHE 391 N -4.90 0.00 1.66 1.25 3.72 -0.91 -1.00 117.46 117.29 3doh n PHE 391 Ca 0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 3doh n PHE 391 Cb 0.09 -0.41 0.67 0.00 -0.94 0.00 0.00 39.48 38.90 3doh n PHE 391 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3doh n GLU 392 N -1.41 1.40 -3.24 -1.08 1.02 -0.40 -4.93 120.64 112.02 3doh n GLU 392 Ca 0.04 -0.61 -0.27 0.00 -0.02 0.00 0.00 57.16 56.30 3doh n GLU 392 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3doh n GLU 392 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3doh s GLN 393 N -2.02 3.59 0.09 3.49 -1.52 -0.17 -5.07 119.66 118.05 3doh s GLN 393 Ca 0.41 -0.03 -0.27 0.00 -1.95 0.00 0.00 55.36 53.52 3doh s GLN 393 Cb 0.21 -2.60 0.09 0.00 -0.22 0.00 0.00 33.01 30.48 3doh s GLN 393 CO 0.35 0.13 1.09 0.45 -0.25 0.00 0.00 175.29 177.07 3doh s SER 394 N -3.50 -0.12 0.00 5.90 0.15 -1.26 -4.82 113.70 110.05 3doh s SER 394 Ca 0.44 -0.30 0.09 0.00 0.70 0.00 0.00 55.95 56.88 3doh s SER 394 Cb -0.10 0.36 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 3doh s SER 394 CO 0.33 -0.66 0.80 0.54 1.20 0.00 0.00 173.24 175.45