#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n2a s PRO 7 N 0.00 0.32 0.47 -2.82 0.02 -1.26 -5.07 135.00 126.67 3n2a s PRO 7 Ca 0.00 0.83 0.02 0.00 0.02 0.00 0.00 61.00 61.88 3n2a s PRO 7 Cb 0.00 -1.70 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 3n2a s PRO 7 CO 0.00 -2.89 0.06 -0.65 -0.33 0.00 0.00 177.00 173.20 3n2a s GLN 8 N -4.76 2.10 0.36 5.54 -0.21 -1.26 -4.98 119.66 116.45 3n2a s GLN 8 Ca 0.66 -2.33 0.07 0.00 0.02 0.00 0.00 55.36 53.78 3n2a s GLN 8 Cb -0.21 -1.10 0.77 0.00 1.00 0.00 0.00 33.01 33.48 3n2a s GLN 8 CO 0.60 -0.44 1.92 0.00 -2.12 0.00 0.00 175.29 175.24 3n2a h ALA 9 N 1.51 1.76 -0.00 6.09 0.00 -1.91 -1.24 119.26 125.47 3n2a h ALA 9 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3n2a h ALA 9 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3n2a h ALA 9 CO 0.65 0.07 -0.11 0.25 0.00 0.00 0.00 179.25 180.11 3n2a n THR 10 N -4.51 0.00 -1.96 0.00 -2.24 -1.26 -3.79 114.28 100.51 3n2a n THR 10 Ca 0.14 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 3n2a n THR 10 Cb 0.34 -0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3n2a n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3n2a s SER 11 N -2.45 5.30 0.58 3.42 0.01 -0.47 -4.98 113.70 115.11 3n2a s SER 11 Ca 0.29 2.14 -0.20 0.00 1.31 0.00 0.00 55.95 59.49 3n2a s SER 11 Cb 0.20 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 3n2a s SER 11 CO 0.47 -1.51 1.26 -2.16 0.41 0.00 0.00 173.24 171.72 3n2a s PRO 12 N -3.67 2.97 0.32 12.44 0.04 -1.26 -4.83 135.00 141.01 3n2a s PRO 12 Ca 0.71 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.79 3n2a s PRO 12 Cb -0.24 -2.03 0.70 0.00 0.04 0.00 0.00 34.50 32.98 3n2a s PRO 12 CO 0.35 -1.25 1.85 1.25 0.04 0.00 0.00 177.00 179.24 3n2a h LEU 13 N 1.04 0.78 -1.55 -3.56 5.85 -1.94 -1.42 115.31 114.51 3n2a h LEU 13 Ca -0.51 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3n2a h LEU 13 Cb 1.30 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3n2a h LEU 13 CO 0.56 0.39 0.40 0.00 -0.34 0.00 0.00 178.44 179.45 3n2a h ALA 14 N 1.58 1.86 -0.56 1.25 0.00 -1.98 -0.98 119.26 120.43 3n2a h ALA 14 Ca 0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 3n2a h ALA 14 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3n2a h ALA 14 CO -0.24 0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.15 3n2a h ALA 15 N 1.68 0.74 -0.73 0.00 0.00 -1.62 -0.64 119.26 118.70 3n2a h ALA 15 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3n2a h ALA 15 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3n2a h ALA 15 CO -0.08 0.47 0.46 -1.49 0.00 0.00 0.00 179.25 178.61 3n2a h TRP 16 N 0.81 0.94 -0.41 0.00 4.06 -1.11 -1.52 115.95 118.71 3n2a h TRP 16 Ca 0.17 0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.99 3n2a h TRP 16 Cb 0.38 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3n2a h TRP 16 CO 0.03 0.61 -0.29 -0.07 -3.56 0.00 0.00 178.44 175.16 3n2a h LEU 17 N 0.99 0.93 -0.76 -4.49 3.38 -1.00 -0.95 115.31 113.41 3n2a h LEU 17 Ca 0.26 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3n2a h LEU 17 Cb -0.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 3n2a h LEU 17 CO -0.05 1.15 0.40 0.00 0.09 0.00 0.00 178.44 180.03 3n2a h TYR 19 N 1.05 0.28 -0.58 0.00 3.20 -0.95 -2.38 116.97 117.60 3n2a h TYR 19 Ca 0.26 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 3n2a h TYR 19 Cb 0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3n2a h TYR 19 CO 0.00 0.19 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.59 3n2a h LEU 20 N 0.29 1.05 -1.96 2.82 3.38 -0.79 -2.81 115.31 117.29 3n2a h LEU 20 Ca 0.08 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3n2a h LEU 20 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3n2a h LEU 20 CO -0.02 1.13 -0.11 -0.33 0.09 0.00 0.00 178.44 179.20 3n2a h GLU 21 N 0.95 0.00 -0.32 1.13 5.08 -0.55 -2.71 114.58 118.15 3n2a h GLU 21 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3n2a h GLU 21 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3n2a h GLU 21 CO 0.04 0.11 0.00 0.72 -1.00 0.00 0.00 179.01 178.88 3n2a n HIS 22 N -3.86 0.42 -1.84 4.33 8.25 -0.91 -4.96 115.22 116.64 3n2a n HIS 22 Ca -0.02 -0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 56.81 3n2a n HIS 22 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 3n2a n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n2a s LEU 23 N -1.44 4.36 -1.14 2.41 1.43 -1.02 -4.92 118.68 118.36 3n2a s LEU 23 Ca 0.36 2.86 -0.14 0.00 -1.03 0.00 0.00 54.13 56.17 3n2a s LEU 23 Cb 0.20 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.96 3n2a s LEU 23 CO 0.28 -0.86 1.34 -2.28 0.23 0.00 0.00 176.35 175.06 3n2a s HIS 24 N 0.11 3.47 -0.89 0.29 5.65 -1.26 -4.80 115.29 117.86 3n2a s HIS 24 Ca 0.63 -2.02 0.24 0.00 0.25 0.00 0.00 55.06 54.17 3n2a s HIS 24 Cb -0.46 -4.27 0.34 0.00 -1.18 0.00 0.00 32.58 27.01 3n2a s HIS 24 CO 0.45 -1.38 1.29 0.43 -0.65 0.00 0.00 174.74 174.88 3n2a n SER 25 N 5.63 0.59 -0.27 9.88 7.64 -1.26 -4.46 113.62 131.36 3n2a n SER 25 Ca 0.33 -0.27 0.05 0.00 1.01 0.00 0.00 58.87 59.99 3n2a n SER 25 Cb 0.44 0.39 0.19 0.00 -1.01 0.00 0.00 64.21 64.22 3n2a n SER 25 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3n2a h GLN 26 N 0.00 0.59 -0.01 1.43 4.20 -2.02 -2.87 115.11 116.43 3n2a h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3n2a h GLN 26 Cb 0.57 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3n2a h GLN 26 CO 0.00 0.39 -0.43 -0.35 -0.67 0.00 0.00 178.83 177.77 3n2a n PRO 27 N -4.87 0.65 -1.40 1.46 -0.04 -1.26 -4.97 135.00 124.55 3n2a n PRO 27 Ca 0.14 -0.44 -0.32 0.00 -0.04 0.00 0.00 63.50 62.85 3n2a n PRO 27 Cb 0.36 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 3n2a n PRO 27 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3n2a s ILE 28 N -2.65 3.21 0.06 0.52 -4.36 -1.09 -4.90 121.20 111.99 3n2a s ILE 28 Ca 0.19 0.45 -0.31 0.00 -0.26 0.00 0.00 60.65 60.72 3n2a s ILE 28 Cb 0.18 -2.93 -0.08 0.00 1.25 0.00 0.00 42.46 40.88 3n2a s ILE 28 CO 0.60 -0.45 1.67 -1.83 0.24 0.00 0.00 174.94 175.17 3n2a s GLU 29 N -4.59 4.19 0.24 0.37 -1.05 -1.26 -4.95 118.70 111.66 3n2a s GLU 29 Ca 0.64 2.34 -0.31 0.00 -0.15 0.00 0.00 54.97 57.49 3n2a s GLU 29 Cb -0.19 -3.65 -0.11 0.00 -0.44 0.00 0.00 34.13 29.75 3n2a s GLU 29 CO 0.51 -0.75 1.59 -1.17 0.95 0.00 0.00 175.26 176.39 3n2a s LEU 30 N 2.81 4.36 0.00 1.83 2.96 -1.26 -4.85 118.68 124.52 3n2a s LEU 30 Ca 0.75 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 57.48 3n2a s LEU 30 Cb -0.40 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.68 3n2a s LEU 30 CO 0.33 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.09 3n2a n GLY 31 N 2.92 0.39 0.46 7.98 0.00 -1.26 -4.86 105.19 110.81 3n2a n GLY 31 Ca 0.11 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 43.93 3n2a n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n2a n LEU 32 N 0.00 1.88 -0.31 0.99 4.77 -1.26 -4.52 117.00 118.55 3n2a n LEU 32 Ca 0.00 -0.69 0.02 0.00 -0.03 0.00 0.00 56.01 55.32 3n2a n LEU 32 Cb 0.00 -0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3n2a n LEU 32 CO 0.00 0.35 1.18 -0.33 -1.33 0.00 0.00 177.39 177.27 3n2a h GLU 33 N 2.24 0.89 0.40 3.23 4.39 -1.92 0.40 114.58 124.21 3n2a h GLU 33 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3n2a h GLU 33 Cb 0.72 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3n2a h GLU 33 CO 0.00 0.59 -0.19 0.00 -1.16 0.00 0.00 179.01 178.25 3n2a h ARG 34 N 0.92 -0.52 -0.37 2.33 3.08 -1.91 -0.65 114.38 117.26 3n2a h ARG 34 Ca 0.40 0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.40 3n2a h ARG 34 Cb 0.28 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3n2a h ARG 34 CO -0.21 -0.22 -0.13 -0.24 -1.07 0.00 0.00 179.97 178.10 3n2a h VAL 35 N -0.85 1.25 -0.38 2.04 3.04 -1.83 -2.36 116.25 117.17 3n2a h VAL 35 Ca -0.06 -1.14 0.02 0.00 -1.01 0.00 0.00 66.70 64.52 3n2a h VAL 35 Cb 0.55 1.11 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 3n2a h VAL 35 CO 0.09 0.38 0.20 0.50 -1.01 0.00 0.00 177.57 177.73 3n2a h LYS 36 N 0.60 0.40 -0.57 4.17 3.64 -0.87 -0.47 116.57 123.47 3n2a h LYS 36 Ca 0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3n2a h LYS 36 Cb 0.57 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3n2a h LYS 36 CO 0.04 0.26 0.37 0.37 -2.27 0.00 0.00 179.45 178.21 3n2a h GLN 37 N 0.41 0.71 -0.46 1.90 4.15 -0.70 -0.94 115.11 120.18 3n2a h GLN 37 Ca 0.16 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 3n2a h GLN 37 Cb 0.05 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3n2a h GLN 37 CO -0.10 0.47 0.01 0.28 -1.93 0.00 0.00 178.83 177.56 3n2a h VAL 38 N 0.74 1.26 -0.88 2.39 2.07 -1.26 -1.38 116.25 119.18 3n2a h VAL 38 Ca 0.22 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3n2a h VAL 38 Cb -0.04 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3n2a h VAL 38 CO -0.07 0.36 0.58 0.00 0.02 0.00 0.00 177.57 178.46 3n2a h ALA 39 N 0.92 1.13 -0.34 1.67 0.00 -0.81 -1.84 119.26 119.99 3n2a h ALA 39 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3n2a h ALA 39 Cb 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3n2a h ALA 39 CO 0.02 0.48 0.15 0.93 0.00 0.00 0.00 179.25 180.84 3n2a h GLU 40 N 1.16 0.50 -0.81 0.00 5.08 -0.94 0.54 114.58 120.11 3n2a h GLU 40 Ca 0.33 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.70 3n2a h GLU 40 Cb -0.09 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.02 3n2a h GLU 40 CO -0.09 0.47 0.53 0.00 -1.00 0.00 0.00 179.01 178.92 3n2a h ARG 41 N 0.41 0.74 -0.20 2.33 3.08 -0.83 -2.43 114.38 117.48 3n2a h ARG 41 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3n2a h ARG 41 Cb 0.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3n2a h ARG 41 CO -0.01 0.49 0.00 1.28 -1.07 0.00 0.00 179.97 180.66 3n2a n LEU 42 N -4.51 3.17 -3.51 3.04 4.77 -0.73 -4.98 117.00 114.25 3n2a n LEU 42 Ca 0.13 -1.25 -0.18 0.00 -0.03 0.00 0.00 56.01 54.68 3n2a n LEU 42 Cb 0.31 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3n2a n LEU 42 CO 0.32 0.61 0.06 -0.67 -1.33 0.00 0.00 177.39 176.38 3n2a n ASP 43 N 1.37 -1.79 -1.01 -1.43 2.03 -0.01 -4.93 116.55 110.78 3n2a n ASP 43 Ca 0.16 -0.68 0.10 0.00 0.52 0.00 0.00 54.79 54.89 3n2a n ASP 43 Cb 0.59 -4.80 0.19 0.00 -0.72 0.00 0.00 41.12 36.37 3n2a n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3n2a n LEU 44 N -4.17 3.23 -0.06 -2.67 4.77 -0.12 -4.62 117.00 113.37 3n2a n LEU 44 Ca -0.29 -1.49 0.14 0.00 -0.03 0.00 0.00 56.01 54.34 3n2a n LEU 44 Cb 0.67 -0.21 0.64 0.00 -2.33 0.00 0.00 43.42 42.19 3n2a n LEU 44 CO 0.63 0.70 0.91 0.18 -1.33 0.00 0.00 177.39 178.48 3n2a n LEU 45 N 1.29 0.28 -3.19 2.23 4.77 -1.26 -4.06 117.00 117.05 3n2a n LEU 45 Ca 0.17 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.04 3n2a n LEU 45 Cb 0.55 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3n2a n LEU 45 CO 0.14 0.05 -0.04 0.29 -1.33 0.00 0.00 177.39 176.51 3n2a n LYS 46 N -1.14 2.07 0.27 3.23 4.01 -1.26 -4.53 118.16 120.81 3n2a n LYS 46 Ca 0.13 -4.19 0.18 0.00 -0.51 0.00 0.00 58.31 53.93 3n2a n LYS 46 Cb 0.27 -1.93 0.85 0.00 -0.51 0.00 0.00 35.03 33.71 3n2a n LYS 46 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3n2a h PRO 47 N 3.55 0.00 -2.60 1.97 0.13 -1.88 -3.44 132.00 129.73 3n2a h PRO 47 Ca 0.13 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.35 3n2a h PRO 47 Cb 0.72 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.74 3n2a h PRO 47 CO 0.69 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.83 3n2a s ALA 48 N -3.79 -1.62 -0.45 -0.56 0.00 -1.26 -3.99 121.76 110.09 3n2a s ALA 48 Ca -0.01 0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.63 3n2a s ALA 48 Cb 0.10 0.67 0.95 0.00 0.00 0.00 0.00 23.12 24.84 3n2a s ALA 48 CO 0.42 -0.86 1.77 -1.35 0.00 0.00 0.00 175.76 175.74 3n2a h PRO 49 N 2.00 0.00 -4.60 0.00 0.11 -1.74 -3.41 132.00 124.36 3n2a h PRO 49 Ca -0.25 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.32 3n2a h PRO 49 Cb 1.26 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.03 3n2a h PRO 49 CO 0.30 0.00 -0.82 0.21 -0.21 0.00 0.00 178.00 177.48 3n2a s LYS 50 N -3.31 1.86 -0.07 1.05 2.47 -1.11 -5.03 119.74 115.61 3n2a s LYS 50 Ca 0.06 -0.45 0.02 0.00 -1.56 0.00 0.00 55.97 54.04 3n2a s LYS 50 Cb 0.10 -1.57 0.01 0.00 -1.46 0.00 0.00 37.83 34.91 3n2a s LYS 50 CO 0.49 -0.01 -0.13 0.42 0.16 0.00 0.00 175.35 176.28 3n2a s ILE 51 N 0.82 1.19 -0.13 5.43 1.01 -1.26 -1.46 121.20 126.80 3n2a s ILE 51 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3n2a s ILE 51 Cb -0.15 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3n2a s ILE 51 CO 0.02 0.37 -0.17 -0.36 0.00 0.00 0.00 174.94 174.79 3n2a s PHE 52 N 0.65 2.72 -0.11 3.97 0.08 0.10 -0.24 117.98 125.14 3n2a s PHE 52 Ca -0.15 -0.91 0.02 0.00 0.12 0.00 0.00 56.93 56.01 3n2a s PHE 52 Cb -0.16 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3n2a s PHE 52 CO 0.04 -0.36 -0.17 0.99 -0.10 0.00 0.00 175.22 175.61 3n2a s THR 53 N 0.50 2.68 -0.23 0.64 2.01 -0.87 -0.41 115.64 119.95 3n2a s THR 53 Ca -0.11 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3n2a s THR 53 Cb -0.16 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.32 3n2a s THR 53 CO 0.05 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.75 3n2a s VAL 54 N 0.30 1.71 0.44 3.82 1.01 0.19 -0.89 120.40 126.98 3n2a s VAL 54 Ca -0.13 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.66 3n2a s VAL 54 Cb -0.16 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 3n2a s VAL 54 CO 0.07 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.57 3n2a s ALA 55 N 1.33 4.18 0.00 5.51 0.00 0.60 -1.32 121.76 132.05 3n2a s ALA 55 Ca -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.09 3n2a s ALA 55 Cb -0.18 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3n2a s ALA 55 CO -0.06 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3n2a n GLY 56 N -1.64 3.46 0.08 0.00 0.00 -1.26 -1.18 105.19 104.65 3n2a n GLY 56 Ca 0.04 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 3n2a n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3n2a h THR 57 N 1.00 0.71 -4.19 2.61 2.02 -1.50 -3.45 112.91 110.11 3n2a h THR 57 Ca 0.00 -1.44 -0.62 0.00 0.77 0.00 0.00 66.41 65.12 3n2a h THR 57 Cb 0.00 1.31 -0.26 0.00 -1.74 0.00 0.00 68.15 67.46 3n2a h THR 57 CO 0.00 0.23 -0.85 0.20 0.37 0.00 0.00 175.52 175.47 3n2a s ASN 58 N -5.73 2.72 0.00 4.18 0.01 -1.26 -4.84 114.94 110.01 3n2a s ASN 58 Ca -0.08 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 3n2a s ASN 58 Cb -0.01 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.42 3n2a s ASN 58 CO 0.30 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.69 3n2a n GLY 59 N 1.75 0.79 0.28 0.66 0.00 -1.26 -3.92 105.19 103.48 3n2a n GLY 59 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 3n2a n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2a h LYS 60 N 4.03 -0.61 -0.39 1.61 1.57 -1.87 -2.14 116.57 118.76 3n2a h LYS 60 Ca 0.00 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3n2a h LYS 60 Cb 0.00 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 3n2a h LYS 60 CO 0.00 -0.36 0.01 0.78 -0.57 0.00 0.00 179.45 179.31 3n2a h GLY 61 N -0.75 0.40 1.91 3.86 0.00 -1.94 0.40 103.07 106.95 3n2a h GLY 61 Ca -0.07 0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 3n2a h GLY 61 CO 0.11 -0.09 -0.78 -0.91 0.00 0.00 0.00 176.54 174.87 3n2a h THR 62 N 0.12 1.52 -0.26 4.70 1.35 -1.98 0.65 112.91 119.00 3n2a h THR 62 Ca 0.19 -2.56 0.01 0.00 -0.55 0.00 0.00 66.41 63.51 3n2a h THR 62 Cb 0.26 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 3n2a h THR 62 CO -0.31 0.74 0.14 0.74 -0.25 0.00 0.00 175.52 176.58 3n2a h THR 63 N 0.05 1.01 -0.87 6.82 2.02 -1.10 -2.10 112.91 118.73 3n2a h THR 63 Ca -0.02 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3n2a h THR 63 Cb 1.37 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3n2a h THR 63 CO 0.11 0.05 0.44 0.00 0.37 0.00 0.00 175.52 176.49 3n2a h THR 66 N 0.00 1.47 -0.24 0.00 2.02 -0.93 -0.50 112.91 114.73 3n2a h THR 66 Ca -0.00 -1.83 0.06 0.00 0.77 0.00 0.00 66.41 65.41 3n2a h THR 66 Cb 0.78 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 69.65 3n2a h THR 66 CO 0.04 0.51 -0.19 -0.07 0.37 0.00 0.00 175.52 176.18 3n2a h LEU 67 N -0.30 -0.62 -0.40 2.58 3.38 -1.19 -2.37 115.31 116.38 3n2a h LEU 67 Ca -0.03 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3n2a h LEU 67 Cb 1.00 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 3n2a h LEU 67 CO 0.06 -0.23 0.13 -0.08 0.09 0.00 0.00 178.44 178.41 3n2a h GLU 68 N -0.19 0.27 -0.82 1.13 4.81 -1.05 -1.51 114.58 117.22 3n2a h GLU 68 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3n2a h GLU 68 Cb 0.40 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3n2a h GLU 68 CO -0.36 0.18 0.37 0.00 -0.73 0.00 0.00 179.01 178.47 3n2a h ALA 69 N 1.27 1.07 -0.24 2.92 0.00 -0.71 -1.50 119.26 122.06 3n2a h ALA 69 Ca 0.19 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3n2a h ALA 69 Cb 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n2a h ALA 69 CO -0.21 0.66 -0.22 0.82 0.00 0.00 0.00 179.25 180.30 3n2a h ILE 70 N 1.18 1.32 -0.51 0.00 2.04 -1.34 -1.17 117.51 119.03 3n2a h ILE 70 Ca 0.28 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 3n2a h ILE 70 Cb 0.16 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3n2a h ILE 70 CO -0.03 0.43 -0.06 -0.07 0.00 0.00 0.00 178.15 178.43 3n2a h LEU 71 N 0.29 0.88 -0.19 1.44 3.38 -1.08 -0.94 115.31 119.09 3n2a h LEU 71 Ca 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3n2a h LEU 71 Cb 0.78 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3n2a h LEU 71 CO 0.06 0.97 0.05 -0.07 0.09 0.00 0.00 178.44 179.53 3n2a h LEU 72 N 0.81 0.29 -1.68 1.67 3.38 -1.29 -2.28 115.31 116.21 3n2a h LEU 72 Ca 0.14 -0.23 0.15 0.00 0.09 0.00 0.00 57.88 58.03 3n2a h LEU 72 Cb 0.56 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3n2a h LEU 72 CO 0.03 0.44 0.47 0.00 0.09 0.00 0.00 178.44 179.48 3n2a h ALA 73 N 0.85 2.20 0.00 1.53 0.00 -0.96 0.19 119.26 123.07 3n2a h ALA 73 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3n2a h ALA 73 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3n2a h ALA 73 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3n2a n ALA 74 N -2.55 2.52 -0.88 0.00 0.00 -0.38 -4.76 120.51 114.47 3n2a n ALA 74 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3n2a n ALA 74 Cb 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3n2a n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2a n GLY 75 N 0.67 0.49 3.93 0.00 0.00 0.05 -5.05 105.19 105.28 3n2a n GLY 75 Ca 0.13 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3n2a n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n2a s LEU 76 N 0.00 3.91 -0.23 0.99 1.43 -0.90 -5.03 118.68 118.84 3n2a s LEU 76 Ca 0.00 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.55 3n2a s LEU 76 Cb 0.00 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3n2a s LEU 76 CO 0.00 -0.37 0.52 -0.13 0.23 0.00 0.00 176.35 176.61 3n2a s ARG 77 N -4.34 4.13 -0.03 1.70 0.52 -1.26 -4.47 118.95 115.20 3n2a s ARG 77 Ca 0.43 0.38 0.03 0.00 -0.52 0.00 0.00 55.73 56.04 3n2a s ARG 77 Cb -0.10 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3n2a s ARG 77 CO 0.38 -0.26 -0.10 0.08 0.02 0.00 0.00 175.30 175.42 3n2a s VAL 78 N 2.01 0.84 -0.01 3.52 1.01 -1.26 -0.58 120.40 125.92 3n2a s VAL 78 Ca 0.23 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3n2a s VAL 78 Cb -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3n2a s VAL 78 CO 0.09 0.26 -0.18 -0.83 0.00 0.00 0.00 175.10 174.44 3n2a s GLY 79 N 0.19 1.49 -0.09 4.51 0.00 -0.70 -1.47 107.32 111.25 3n2a s GLY 79 Ca -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.64 3n2a s GLY 79 CO 0.01 -0.90 -0.19 0.14 0.00 0.00 0.00 173.10 172.16 3n2a s VAL 80 N -0.77 1.67 -0.17 1.40 1.01 -0.28 -0.81 120.40 122.46 3n2a s VAL 80 Ca 0.12 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3n2a s VAL 80 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3n2a s VAL 80 CO 0.02 0.47 0.06 -0.47 0.00 0.00 0.00 175.10 175.18 3n2a s TYR 81 N 0.50 3.27 0.11 5.22 5.04 -0.44 -1.14 117.35 129.90 3n2a s TYR 81 Ca -0.17 0.12 -0.04 0.00 -2.44 0.00 0.00 57.07 54.55 3n2a s TYR 81 Cb -0.17 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 3n2a s TYR 81 CO 0.06 0.24 0.10 -1.54 -1.34 0.00 0.00 175.55 173.07 3n2a s SER 82 N 0.10 0.27 -0.05 4.32 1.04 -0.34 -1.39 113.70 117.65 3n2a s SER 82 Ca 0.05 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 3n2a s SER 82 Cb -0.12 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.39 3n2a s SER 82 CO 0.01 -0.73 0.73 -0.94 0.98 0.00 0.00 173.24 173.28 3n2a s SER 83 N -2.98 -0.60 0.62 7.02 1.04 -1.26 -4.43 113.70 113.10 3n2a s SER 83 Ca 0.17 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3n2a s SER 83 Cb 0.06 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3n2a s SER 83 CO -0.03 -0.60 0.00 -0.81 0.98 0.00 0.00 173.24 172.79 3n2a n PRO 84 N 0.75 0.43 -4.35 4.02 -0.04 -1.26 -4.97 135.00 129.58 3n2a n PRO 84 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 3n2a n PRO 84 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 3n2a n PRO 84 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3n2a s HIS 85 N -0.53 2.54 -0.09 0.54 -3.43 -1.26 -4.92 115.29 108.14 3n2a s HIS 85 Ca 0.00 -0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 3n2a s HIS 85 Cb 0.00 -1.41 -0.02 0.00 -1.43 0.00 0.00 32.58 29.71 3n2a s HIS 85 CO 0.00 0.52 -0.12 1.28 -2.00 0.00 0.00 174.74 174.41 3n2a n LEU 86 N -0.92 1.12 -0.03 5.38 4.77 -1.26 -4.87 117.00 121.19 3n2a n LEU 86 Ca -0.04 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 3n2a n LEU 86 Cb 0.62 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3n2a n LEU 86 CO 0.42 -0.47 -0.72 0.18 -1.33 0.00 0.00 177.39 175.48 3n2a n LEU 87 N -3.70 1.52 -4.01 2.23 4.77 -1.26 -4.87 117.00 111.68 3n2a n LEU 87 Ca -0.05 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3n2a n LEU 87 Cb 0.18 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 3n2a n LEU 87 CO 0.07 0.39 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.95 3n2a s ARG 88 N -2.15 1.20 0.39 3.23 0.52 -1.26 -5.02 118.95 115.87 3n2a s ARG 88 Ca -0.07 -0.34 0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3n2a s ARG 88 Cb 0.02 -1.08 0.90 0.00 0.52 0.00 0.00 34.95 35.32 3n2a s ARG 88 CO 0.21 0.08 1.92 -0.92 0.02 0.00 0.00 175.30 176.61 3n2a h TYR 89 N 6.60 0.64 0.00 -0.53 3.20 -1.96 -0.68 116.97 124.24 3n2a h TYR 89 Ca -0.33 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3n2a h TYR 89 Cb 1.17 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3n2a h TYR 89 CO 0.46 0.28 0.02 1.79 -1.64 0.00 0.00 178.16 179.07 3n2a h THR 90 N 0.58 0.00 -0.08 1.81 1.35 -1.95 -0.92 112.91 113.70 3n2a h THR 90 Ca 0.37 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.25 3n2a h THR 90 Cb 0.62 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3n2a h THR 90 CO -0.13 0.00 0.12 -0.33 -0.25 0.00 0.00 175.52 174.93 3n2a h GLU 91 N 0.00 0.00 0.00 4.72 5.08 -1.51 -3.16 114.58 119.71 3n2a h GLU 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n2a h GLU 91 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3n2a h GLU 91 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 3n2a n ARG 92 N -3.61 0.17 -3.77 2.33 1.74 -0.35 -4.50 116.66 108.68 3n2a n ARG 92 Ca -0.01 0.26 -0.28 0.00 -0.77 0.00 0.00 57.85 57.05 3n2a n ARG 92 Cb 0.22 -1.75 -0.16 0.00 -1.02 0.00 0.00 32.46 29.75 3n2a n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3n2a s VAL 93 N -3.15 0.70 -0.09 1.55 1.01 -1.20 -1.20 120.40 118.02 3n2a s VAL 93 Ca 0.09 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3n2a s VAL 93 Cb 0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3n2a s VAL 93 CO 0.48 -0.21 -0.07 -0.13 0.00 0.00 0.00 175.10 175.17 3n2a s ARG 94 N 1.78 3.01 -0.07 2.72 0.52 -0.29 -4.06 118.95 122.55 3n2a s ARG 94 Ca -0.01 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3n2a s ARG 94 Cb -0.17 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.64 3n2a s ARG 94 CO -0.08 0.53 -0.15 0.42 0.02 0.00 0.00 175.30 176.03 3n2a s ILE 95 N -0.44 1.36 -1.15 1.52 1.01 0.01 -1.12 121.20 122.39 3n2a s ILE 95 Ca 0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3n2a s ILE 95 Cb -0.12 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.17 3n2a s ILE 95 CO 0.02 0.40 0.25 0.00 0.00 0.00 0.00 174.94 175.62 3n2a n GLN 96 N 3.65 -2.94 -0.86 2.79 1.13 -0.54 -1.44 117.38 119.16 3n2a n GLN 96 Ca -0.21 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 3n2a n GLN 96 Cb 0.52 -5.21 0.00 0.00 0.11 0.00 0.00 30.24 25.66 3n2a n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n2a n GLY 97 N -1.00 0.80 3.34 1.08 0.00 -1.26 -5.01 105.19 103.13 3n2a n GLY 97 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3n2a n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n2a s GLN 98 N -0.14 1.46 0.52 1.61 -1.52 -0.52 -5.01 119.66 116.06 3n2a s GLN 98 Ca 0.00 -1.20 -0.20 0.00 -1.95 0.00 0.00 55.36 52.01 3n2a s GLN 98 Cb 0.00 -1.78 -0.07 0.00 -0.22 0.00 0.00 33.01 30.94 3n2a s GLN 98 CO 0.00 0.44 1.11 -1.21 -0.25 0.00 0.00 175.29 175.37 3n2a s GLU 99 N -1.70 3.49 0.59 2.91 2.02 -1.26 -0.81 118.70 123.94 3n2a s GLU 99 Ca 0.11 1.55 -0.01 0.00 0.02 0.00 0.00 54.97 56.64 3n2a s GLU 99 Cb -0.10 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.12 3n2a s GLU 99 CO 0.04 -0.72 0.84 -0.51 0.02 0.00 0.00 175.26 174.93 3n2a s LEU 100 N -3.68 3.17 0.63 1.80 1.43 -1.26 -4.92 118.68 115.85 3n2a s LEU 100 Ca 0.71 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.81 3n2a s LEU 100 Cb -0.22 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 3n2a s LEU 100 CO 0.25 -1.24 1.07 -0.94 0.23 0.00 0.00 176.35 175.72 3n2a s SER 101 N -4.44 5.57 0.30 2.29 1.04 -1.26 -4.94 113.70 112.27 3n2a s SER 101 Ca 0.57 1.80 -0.01 0.00 0.48 0.00 0.00 55.95 58.79 3n2a s SER 101 Cb -0.10 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 63.96 3n2a s SER 101 CO 0.40 -1.32 1.93 -0.33 0.98 0.00 0.00 173.24 174.91 3n2a h GLU 102 N 0.08 0.96 -0.68 4.02 5.08 -2.00 -2.70 114.58 119.35 3n2a h GLU 102 Ca -0.46 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 3n2a h GLU 102 Cb 1.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3n2a h GLU 102 CO 0.57 0.69 0.32 0.00 -1.00 0.00 0.00 179.01 179.59 3n2a h ALA 103 N 1.46 1.29 -0.25 3.43 0.00 -1.94 -0.87 119.26 122.39 3n2a h ALA 103 Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3n2a h ALA 103 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3n2a h ALA 103 CO -0.04 0.55 -0.27 1.49 0.00 0.00 0.00 179.25 180.97 3n2a h GLU 104 N 0.96 0.49 -0.37 0.00 4.81 -1.86 -1.67 114.58 116.93 3n2a h GLU 104 Ca 0.23 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3n2a h GLU 104 Cb 0.11 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3n2a h GLU 104 CO -0.03 0.72 0.13 0.45 -0.73 0.00 0.00 179.01 179.56 3n2a h HIS 105 N 0.43 0.58 -0.59 0.92 3.86 -1.23 -1.74 115.15 117.39 3n2a h HIS 105 Ca 0.06 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3n2a h HIS 105 Cb 0.70 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 3n2a h HIS 105 CO 0.02 0.54 0.37 0.77 0.86 0.00 0.00 177.93 180.50 3n2a h SER 106 N 0.45 0.69 -0.89 2.45 0.02 -0.99 0.16 113.55 115.44 3n2a h SER 106 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3n2a h SER 106 Cb 0.22 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3n2a h SER 106 CO -0.01 0.52 0.53 0.45 -1.14 0.00 0.00 176.83 177.18 3n2a h HIS 107 N 0.79 1.17 -0.21 3.45 -0.00 -1.20 -1.02 115.15 118.14 3n2a h HIS 107 Ca 0.21 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 3n2a h HIS 107 Cb -0.06 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 26.96 3n2a h HIS 107 CO -0.03 0.78 0.00 1.03 -0.00 0.00 0.00 177.93 179.71 3n2a h SER 108 N 1.22 0.36 -0.97 2.45 0.87 -0.78 -2.42 113.55 114.30 3n2a h SER 108 Ca 0.32 -0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3n2a h SER 108 Cb -0.05 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3n2a h SER 108 CO -0.06 0.58 0.63 -0.26 -0.53 0.00 0.00 176.83 177.19 3n2a h PHE 109 N 0.13 1.17 -0.55 2.24 0.04 -0.49 -1.32 116.94 118.16 3n2a h PHE 109 Ca 0.06 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3n2a h PHE 109 Cb 0.39 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3n2a h PHE 109 CO 0.03 0.64 0.19 0.00 -0.60 0.00 0.00 178.31 178.58 3n2a h ALA 110 N 1.45 1.31 -0.72 2.45 0.00 -1.00 0.65 119.26 123.39 3n2a h ALA 110 Ca 0.40 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3n2a h ALA 110 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3n2a h ALA 110 CO -0.14 0.51 0.19 1.96 0.00 0.00 0.00 179.25 181.77 3n2a h GLN 111 N 0.79 1.15 -0.46 0.00 4.20 -0.77 -2.13 115.11 117.89 3n2a h GLN 111 Ca 0.18 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 3n2a h GLN 111 Cb 0.20 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3n2a h GLN 111 CO -0.01 1.00 0.05 0.82 -0.67 0.00 0.00 178.83 180.02 3n2a h ILE 112 N 1.09 1.25 -0.68 2.54 1.08 -0.54 -1.39 117.51 120.85 3n2a h ILE 112 Ca 0.23 -0.96 0.01 0.00 -0.39 0.00 0.00 64.86 63.76 3n2a h ILE 112 Cb 0.36 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 3n2a h ILE 112 CO -0.00 0.33 0.45 -0.08 -0.69 0.00 0.00 178.15 178.16 3n2a h GLU 113 N 0.63 0.88 -0.27 2.37 4.57 -0.79 -0.96 114.58 121.01 3n2a h GLU 113 Ca 0.14 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3n2a h GLU 113 Cb 0.42 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3n2a h GLU 113 CO 0.01 0.58 -0.07 0.00 -1.18 0.00 0.00 179.01 178.36 3n2a h ALA 114 N 1.26 0.37 -0.11 2.92 0.00 -1.27 -3.19 119.26 119.24 3n2a h ALA 114 Ca 0.26 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3n2a h ALA 114 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3n2a h ALA 114 CO -0.07 0.19 -0.19 0.78 0.00 0.00 0.00 179.25 179.96 3n2a h GLY 115 N 0.28 0.19 2.00 0.00 0.00 -0.91 -3.18 103.07 101.45 3n2a h GLY 115 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3n2a h GLY 115 CO 0.03 0.12 -0.18 0.07 0.00 0.00 0.00 176.54 176.58 3n2a h ARG 116 N 0.17 0.00 0.00 4.80 0.11 -1.17 -3.48 114.38 114.82 3n2a h ARG 116 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3n2a h ARG 116 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3n2a h ARG 116 CO 0.03 0.18 0.00 0.41 0.10 0.00 0.00 179.97 180.69 3n2a n GLY 117 N 0.18 3.99 0.75 0.08 0.00 -1.20 -1.17 105.19 107.81 3n2a n GLY 117 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3n2a n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3n2a n ASP 118 N 8.51 2.29 -4.69 1.61 3.85 -1.26 -4.93 116.55 121.93 3n2a n ASP 118 Ca 0.00 -1.77 -0.42 0.00 -0.71 0.00 0.00 54.79 51.88 3n2a n ASP 118 Cb 0.00 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 39.67 3n2a n ASP 118 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3n2a s ILE 119 N -1.86 4.79 0.33 2.12 1.01 -0.31 -5.01 121.20 122.27 3n2a s ILE 119 Ca 0.34 2.04 -0.26 0.00 0.00 0.00 0.00 60.65 62.77 3n2a s ILE 119 Cb 0.20 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 3n2a s ILE 119 CO 0.30 0.01 1.00 -0.44 0.00 0.00 0.00 174.94 175.82 3n2a s SER 120 N 1.09 7.19 0.05 3.58 0.01 -1.26 -4.90 113.70 119.46 3n2a s SER 120 Ca 0.48 1.97 0.04 0.00 1.31 0.00 0.00 55.95 59.75 3n2a s SER 120 Cb -0.18 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3n2a s SER 120 CO 0.18 -0.18 -0.12 -0.76 0.41 0.00 0.00 173.24 172.78 3n2a s LEU 121 N -2.05 2.21 0.81 2.44 1.43 -1.26 -4.78 118.68 117.48 3n2a s LEU 121 Ca 0.51 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3n2a s LEU 121 Cb -0.22 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 45.64 3n2a s LEU 121 CO 0.28 -0.06 1.11 0.42 0.23 0.00 0.00 176.35 178.33 3n2a s THR 122 N -1.07 2.88 0.19 5.49 -4.23 -1.26 -4.84 115.64 112.80 3n2a s THR 122 Ca -0.03 0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 3n2a s THR 122 Cb -0.09 -3.07 0.15 0.00 1.34 0.00 0.00 72.50 70.83 3n2a s THR 122 CO 0.01 -0.37 1.62 0.22 -0.54 0.00 0.00 174.62 175.56 3n2a h TYR 123 N -1.11 -0.54 -0.07 3.99 -0.00 -1.95 0.45 116.97 117.74 3n2a h TYR 123 Ca -0.47 0.05 -0.20 0.00 -0.00 0.00 0.00 58.73 58.11 3n2a h TYR 123 Cb 1.28 0.32 -0.00 0.00 -0.00 0.00 0.00 36.73 38.33 3n2a h TYR 123 CO 0.43 -0.30 -0.79 0.35 -0.00 0.00 0.00 178.16 177.85 3n2a h PHE 124 N -0.10 0.65 -0.02 -3.82 3.57 -1.95 -0.72 116.94 114.56 3n2a h PHE 124 Ca 0.24 -0.31 0.01 0.00 3.53 0.00 0.00 57.97 61.44 3n2a h PHE 124 Cb 0.47 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3n2a h PHE 124 CO -0.50 1.09 -0.04 0.93 -2.23 0.00 0.00 178.31 177.56 3n2a h GLU 125 N 0.31 -0.06 -0.21 1.11 5.08 -1.85 0.91 114.58 119.87 3n2a h GLU 125 Ca -0.05 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3n2a h GLU 125 Cb 1.39 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 3n2a h GLU 125 CO 0.14 -0.04 -0.07 0.35 -1.00 0.00 0.00 179.01 178.39 3n2a h PHE 126 N -0.06 -0.16 -0.86 4.33 3.57 -0.79 -0.42 116.94 122.56 3n2a h PHE 126 Ca 0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3n2a h PHE 126 Cb 0.10 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3n2a h PHE 126 CO -0.12 -0.11 0.57 0.78 -2.23 0.00 0.00 178.31 177.19 3n2a h GLY 127 N -0.03 1.21 0.82 2.40 0.00 -0.95 -0.80 103.07 105.73 3n2a h GLY 127 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3n2a h GLY 127 CO -0.23 0.44 -0.35 -0.84 0.00 0.00 0.00 176.54 175.55 3n2a h THR 128 N 1.16 1.37 -0.81 4.70 2.02 -0.38 -0.61 112.91 120.35 3n2a h THR 128 Ca 0.32 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3n2a h THR 128 Cb -0.12 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3n2a h THR 128 CO -0.07 0.49 0.51 -0.07 0.37 0.00 0.00 175.52 176.75 3n2a h LEU 129 N 0.08 0.96 -0.42 2.58 3.38 -0.94 -1.38 115.31 119.57 3n2a h LEU 129 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3n2a h LEU 129 Cb 0.96 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3n2a h LEU 129 CO 0.08 0.72 0.27 -1.28 0.09 0.00 0.00 178.44 178.32 3n2a h SER 130 N 1.11 0.48 -0.74 -0.43 0.87 -1.02 -1.16 113.55 112.66 3n2a h SER 130 Ca 0.29 -0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.90 3n2a h SER 130 Cb -0.07 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.70 3n2a h SER 130 CO -0.06 0.36 0.41 0.00 -0.53 0.00 0.00 176.83 177.02 3n2a h ALA 131 N 1.14 1.01 -0.66 6.23 0.00 -0.80 0.57 119.26 126.75 3n2a h ALA 131 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3n2a h ALA 131 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3n2a h ALA 131 CO -0.03 0.07 0.29 -0.07 0.00 0.00 0.00 179.25 179.51 3n2a h LEU 132 N 0.73 0.87 -0.31 0.00 3.38 -0.80 0.59 115.31 119.76 3n2a h LEU 132 Ca 0.34 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3n2a h LEU 132 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3n2a h LEU 132 CO -0.21 0.76 -0.09 -0.61 0.09 0.00 0.00 178.44 178.37 3n2a h GLN 133 N 0.95 0.62 -0.86 1.13 5.75 -0.55 -0.54 115.11 121.60 3n2a h GLN 133 Ca 0.23 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3n2a h GLN 133 Cb 0.14 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3n2a h GLN 133 CO -0.03 0.81 0.48 -0.07 -2.65 0.00 0.00 178.83 177.37 3n2a h LEU 134 N 0.38 1.07 -0.07 -2.39 3.38 -0.30 -2.29 115.31 115.09 3n2a h LEU 134 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3n2a h LEU 134 Cb 0.59 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3n2a h LEU 134 CO 0.03 0.85 0.02 -0.26 0.09 0.00 0.00 178.44 179.18 3n2a h PHE 135 N 1.20 0.12 -0.43 1.13 0.04 -0.82 -2.91 116.94 115.26 3n2a h PHE 135 Ca 0.30 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.15 3n2a h PHE 135 Cb 0.02 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.05 3n2a h PHE 135 CO 0.01 0.30 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.62 3n2a h LYS 136 N -0.10 -0.08 0.00 1.51 3.64 -0.90 -1.24 116.57 119.40 3n2a h LYS 136 Ca 0.02 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3n2a h LYS 136 Cb 0.24 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3n2a h LYS 136 CO 0.00 -0.05 -0.04 -0.56 -2.27 0.00 0.00 179.45 176.53 3n2a h GLN 137 N -0.08 0.00 -0.00 1.90 3.07 -1.45 -2.98 115.11 115.57 3n2a h GLN 137 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 3n2a h GLN 137 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 3n2a h GLN 137 CO -0.49 0.04 -0.03 0.00 0.09 0.00 0.00 178.83 178.44 3n2a n ALA 138 N -2.12 2.64 -3.48 0.06 0.00 -0.47 -4.97 120.51 112.16 3n2a n ALA 138 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 3n2a n ALA 138 Cb 0.26 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.33 3n2a n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3n2a n LYS 139 N -0.98 -1.66 -3.36 0.00 4.76 -1.13 -4.97 118.16 110.82 3n2a n LYS 139 Ca 0.18 0.65 -0.23 0.00 -2.87 0.00 0.00 58.31 56.04 3n2a n LYS 139 Cb 0.21 -4.88 -0.01 0.00 -1.84 0.00 0.00 35.03 28.51 3n2a n LYS 139 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n2a s LEU 140 N -5.96 3.97 -0.12 -0.35 1.43 -1.26 -4.94 118.68 111.45 3n2a s LEU 140 Ca 0.46 0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 53.83 3n2a s LEU 140 Cb -0.12 -3.23 -0.26 0.00 0.03 0.00 0.00 46.19 42.61 3n2a s LEU 140 CO 0.81 -0.35 0.39 0.44 0.23 0.00 0.00 176.35 177.86 3n2a h ASP 141 N 0.73 0.37 -3.68 2.29 3.32 -1.21 -3.38 116.42 114.86 3n2a h ASP 141 Ca -0.49 -0.88 -0.23 0.00 0.02 0.00 0.00 57.03 55.45 3n2a h ASP 141 Cb 1.23 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 40.37 3n2a h ASP 141 CO 0.60 1.79 -0.65 -0.69 -1.72 0.00 0.00 179.24 178.57 3n2a s VAL 142 N -2.53 -0.01 -0.07 -1.35 1.01 -0.84 -2.74 120.40 113.87 3n2a s VAL 142 Ca -0.23 0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3n2a s VAL 142 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3n2a s VAL 142 CO 0.75 0.02 -0.23 -0.69 0.00 0.00 0.00 175.10 174.96 3n2a s VAL 143 N 0.32 1.89 -0.19 2.92 1.01 -0.54 -1.72 120.40 124.09 3n2a s VAL 143 Ca -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3n2a s VAL 143 Cb -0.04 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3n2a s VAL 143 CO -0.01 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.88 3n2a s ILE 144 N 0.08 2.91 -0.30 2.22 1.01 0.01 -0.72 121.20 126.42 3n2a s ILE 144 Ca -0.09 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3n2a s ILE 144 Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3n2a s ILE 144 CO 0.05 0.47 0.05 -0.76 0.00 0.00 0.00 174.94 174.75 3n2a s LEU 145 N 1.26 3.83 -0.15 2.97 1.43 0.45 -1.33 118.68 127.14 3n2a s LEU 145 Ca 0.03 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 3n2a s LEU 145 Cb -0.14 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3n2a s LEU 145 CO -0.05 -0.22 1.10 -0.70 0.23 0.00 0.00 176.35 176.71 3n2a s GLU 146 N 1.42 4.32 0.20 1.70 2.12 -0.49 -0.64 118.70 127.33 3n2a s GLU 146 Ca 0.00 1.48 -0.31 0.00 0.36 0.00 0.00 54.97 56.50 3n2a s GLU 146 Cb -0.18 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.50 3n2a s GLU 146 CO 0.01 -0.52 1.47 0.08 -0.54 0.00 0.00 175.26 175.76 3n2a s VAL 147 N 2.72 2.77 -0.04 3.70 1.01 -0.44 -4.77 120.40 125.36 3n2a s VAL 147 Ca 0.49 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 3n2a s VAL 147 Cb -0.19 -3.38 -0.21 0.00 0.00 0.00 0.00 36.38 32.60 3n2a s VAL 147 CO 0.14 0.07 1.20 1.23 0.00 0.00 0.00 175.10 177.74 3n2a h GLY 148 N 5.86 -0.01 -5.81 4.51 0.00 -1.95 -3.46 103.07 102.22 3n2a h GLY 148 Ca -0.44 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 3n2a h GLY 148 CO 0.83 -0.00 -0.34 -2.27 0.00 0.00 0.00 176.54 174.76 3n2a s LEU 149 N -9.10 -0.32 0.00 3.11 2.96 -1.26 -5.01 118.68 109.06 3n2a s LEU 149 Ca -0.16 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3n2a s LEU 149 Cb 0.01 1.30 0.00 0.00 0.50 0.00 0.00 46.19 48.00 3n2a s LEU 149 CO 0.67 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 176.10 3n2a n GLY 150 N 4.78 2.23 0.09 7.98 0.00 -1.26 -4.24 105.19 114.77 3n2a n GLY 150 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3n2a n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n2a n GLY 151 N 0.00 -1.67 0.29 -0.02 0.00 -1.22 -4.20 105.19 98.38 3n2a n GLY 151 Ca 0.00 0.64 0.10 0.00 0.00 0.00 0.00 46.02 46.76 3n2a n GLY 151 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n2a h ARG 152 N 0.00 0.25 -0.41 1.61 9.65 -1.33 -1.26 114.38 122.90 3n2a h ARG 152 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3n2a h ARG 152 Cb 0.00 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3n2a h ARG 152 CO 0.00 0.17 0.00 1.28 2.80 0.00 0.00 179.97 184.22 3n2a n LEU 153 N -5.18 3.12 -4.77 3.80 4.77 -1.26 -4.92 117.00 112.57 3n2a n LEU 153 Ca 0.19 -2.02 -0.39 0.00 -0.03 0.00 0.00 56.01 53.76 3n2a n LEU 153 Cb 0.59 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3n2a n LEU 153 CO 0.09 0.77 0.82 -0.62 -1.33 0.00 0.00 177.39 177.12 3n2a s ASP 154 N -1.02 6.83 0.39 -1.43 2.15 -0.48 -4.81 116.67 118.31 3n2a s ASP 154 Ca 0.28 2.29 0.15 0.00 0.43 0.00 0.00 52.55 55.69 3n2a s ASP 154 Cb 0.15 -2.62 0.99 0.00 -0.30 0.00 0.00 42.92 41.15 3n2a s ASP 154 CO 0.18 -0.45 1.84 0.00 -0.17 0.00 0.00 175.17 176.57 3n2a h ALA 155 N 3.06 2.07 0.00 3.66 0.00 -1.91 1.00 119.26 127.13 3n2a h ALA 155 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3n2a h ALA 155 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3n2a h ALA 155 CO 0.64 -0.37 0.00 1.79 0.00 0.00 0.00 179.25 181.31 3n2a h THR 156 N 0.50 0.00 -0.01 0.00 1.35 -1.92 -2.76 112.91 110.08 3n2a h THR 156 Ca 0.49 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 3n2a h THR 156 Cb 1.07 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3n2a h THR 156 CO -0.21 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 171.86 3n2a n ASN 157 N -2.75 0.07 0.22 5.36 5.15 0.35 -2.73 115.26 120.92 3n2a n ASN 157 Ca -0.01 -1.56 0.13 0.00 -0.60 0.00 0.00 54.58 52.54 3n2a n ASN 157 Cb 0.13 -0.01 0.30 0.00 -0.53 0.00 0.00 39.78 39.68 3n2a n ASN 157 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 3n2a h ILE 158 N 0.09 0.00 -3.08 -1.44 3.07 -1.65 -3.44 117.51 111.05 3n2a h ILE 158 Ca 0.00 -0.83 -0.61 0.00 1.55 0.00 0.00 64.86 64.97 3n2a h ILE 158 Cb 0.02 1.82 -0.07 0.00 -0.27 0.00 0.00 36.82 38.32 3n2a h ILE 158 CO 0.00 0.00 -0.25 -0.69 -1.05 0.00 0.00 178.15 176.16 3n2a s VAL 159 N -3.29 5.16 -0.34 0.16 1.01 -1.10 -5.01 120.40 116.99 3n2a s VAL 159 Ca 0.06 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 3n2a s VAL 159 Cb 0.07 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3n2a s VAL 159 CO 0.63 0.50 0.84 -1.81 0.00 0.00 0.00 175.10 175.26 3n2a s ASP 160 N -0.49 6.64 0.45 3.32 1.01 -1.26 -5.03 116.67 121.31 3n2a s ASP 160 Ca 0.22 0.55 -0.13 0.00 0.71 0.00 0.00 52.55 53.90 3n2a s ASP 160 Cb -0.15 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3n2a s ASP 160 CO 0.10 -0.73 0.86 -0.94 0.21 0.00 0.00 175.17 174.66 3n2a s SER 161 N 1.77 6.55 0.05 0.27 1.04 -1.26 -4.83 113.70 117.28 3n2a s SER 161 Ca 0.34 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 58.06 3n2a s SER 161 Cb -0.13 -2.40 -0.27 0.00 0.10 0.00 0.00 66.02 63.32 3n2a s SER 161 CO 0.16 -0.48 1.03 0.44 0.98 0.00 0.00 173.24 175.37 3n2a h ASP 162 N 1.09 0.34 -3.74 7.02 3.32 -1.01 -3.46 116.42 119.99 3n2a h ASP 162 Ca -0.47 -0.41 -0.27 0.00 0.02 0.00 0.00 57.03 55.90 3n2a h ASP 162 Cb 1.19 -0.11 -0.29 0.00 0.22 0.00 0.00 39.33 40.33 3n2a h ASP 162 CO 0.63 1.33 -0.73 -0.69 -1.72 0.00 0.00 179.24 178.06 3n2a s VAL 163 N -2.65 0.11 0.18 -1.35 1.01 -1.15 -4.17 120.40 112.39 3n2a s VAL 163 Ca -0.05 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.00 3n2a s VAL 163 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 3n2a s VAL 163 CO 0.86 0.05 -0.20 0.00 0.00 0.00 0.00 175.10 175.81 3n2a s ALA 164 N 0.14 2.64 0.02 5.51 0.00 -0.99 -2.04 121.76 127.04 3n2a s ALA 164 Ca -0.01 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.40 3n2a s ALA 164 Cb -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3n2a s ALA 164 CO -0.00 0.46 -0.05 0.00 0.00 0.00 0.00 175.76 176.17 3n2a s ALA 165 N -1.59 0.30 -0.20 0.00 0.00 -0.06 -0.84 121.76 119.37 3n2a s ALA 165 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3n2a s ALA 165 Cb -0.08 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3n2a s ALA 165 CO 0.11 -0.06 -0.10 0.42 0.00 0.00 0.00 175.76 176.13 3n2a s ILE 166 N -1.11 2.94 0.04 0.00 1.01 0.06 -0.29 121.20 123.85 3n2a s ILE 166 Ca -0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3n2a s ILE 166 Cb -0.08 -2.30 -0.27 0.00 0.01 0.00 0.00 42.46 39.82 3n2a s ILE 166 CO -0.00 0.47 1.01 0.71 0.00 0.00 0.00 174.94 177.12 3n2a h THR 167 N 5.75 1.34 -1.88 2.92 1.35 -1.44 0.54 112.91 121.50 3n2a h THR 167 Ca -0.41 -2.98 0.18 0.00 -0.55 0.00 0.00 66.41 62.65 3n2a h THR 167 Cb 1.16 2.82 -0.17 0.00 -1.73 0.00 0.00 68.15 70.23 3n2a h THR 167 CO 0.61 0.85 0.65 -0.94 -0.25 0.00 0.00 175.52 176.44 3n2a s SER 168 N -6.94 -0.25 -0.10 5.36 1.04 -1.25 -3.65 113.70 107.91 3n2a s SER 168 Ca -0.05 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3n2a s SER 168 Cb 0.07 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3n2a s SER 168 CO 0.86 -0.43 -0.09 -0.63 0.98 0.00 0.00 173.24 173.93 3n2a s ILE 169 N -2.77 1.03 0.19 -1.02 -1.09 -1.26 -1.20 121.20 115.08 3n2a s ILE 169 Ca 0.07 -0.33 -0.18 0.00 -2.23 0.00 0.00 60.65 57.98 3n2a s ILE 169 Cb -0.01 -1.02 0.03 0.00 -1.58 0.00 0.00 42.46 39.88 3n2a s ILE 169 CO -0.07 0.36 0.52 0.00 -1.23 0.00 0.00 174.94 174.52 3n2a s ALA 170 N 1.37 -0.98 0.29 9.38 0.00 -1.26 -4.99 121.76 125.57 3n2a s ALA 170 Ca -0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 3n2a s ALA 170 Cb -0.14 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.73 3n2a s ALA 170 CO -0.04 -0.79 1.05 -0.51 0.00 0.00 0.00 175.76 175.47 3n2a s LEU 171 N -2.86 4.51 -0.30 0.00 1.43 -1.26 -4.89 118.68 115.32 3n2a s LEU 171 Ca 0.08 2.16 0.19 0.00 -1.03 0.00 0.00 54.13 55.53 3n2a s LEU 171 Cb -0.01 -3.71 0.48 0.00 0.03 0.00 0.00 46.19 42.97 3n2a s LEU 171 CO -0.04 -0.13 1.13 -0.67 0.23 0.00 0.00 176.35 176.87 3n2a n ASP 172 N 1.05 0.93 0.00 2.29 2.03 -1.26 -4.67 116.55 116.93 3n2a n ASP 172 Ca -0.00 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.03 3n2a n ASP 172 Cb 0.46 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 3n2a n ASP 172 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3n2a n HIS 173 N -0.56 0.00 -0.50 -0.67 -0.00 -1.26 -4.90 115.22 107.33 3n2a n HIS 173 Ca 0.04 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.04 3n2a n HIS 173 Cb 0.82 0.00 0.16 0.00 -0.12 0.00 0.00 29.99 30.85 3n2a n HIS 173 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3n2a n THR 174 N -0.03 0.00 -1.51 3.57 -2.24 -0.33 -4.53 114.28 109.21 3n2a n THR 174 Ca 0.00 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3n2a n THR 174 Cb 0.00 -0.88 0.05 0.00 -2.10 0.00 0.00 70.33 67.40 3n2a n THR 174 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3n2a n ASP 175 N -4.36 -0.33 -3.54 3.42 10.43 -1.26 -5.00 116.55 115.91 3n2a n ASP 175 Ca 0.08 0.75 -0.15 0.00 2.57 0.00 0.00 54.79 58.04 3n2a n ASP 175 Cb 0.35 -1.26 -0.06 0.00 1.84 0.00 0.00 41.12 41.99 3n2a n ASP 175 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3n2a s TRP 176 N -1.66 -0.56 0.06 1.24 0.51 -1.26 -5.10 118.94 112.17 3n2a s TRP 176 Ca 0.72 0.98 -0.34 0.00 -2.12 0.00 0.00 56.10 55.34 3n2a s TRP 176 Cb -0.42 0.42 -0.13 0.00 -0.81 0.00 0.00 33.47 32.53 3n2a s TRP 176 CO 0.51 -0.51 1.71 -0.11 -0.51 0.00 0.00 176.95 178.04 3n2a n LEU 177 N 0.91 3.30 -1.77 2.99 7.94 -1.26 -2.45 117.00 126.66 3n2a n LEU 177 Ca -0.16 1.03 -0.20 0.00 -1.11 0.00 0.00 56.01 55.57 3n2a n LEU 177 Cb 0.57 -1.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 3n2a n LEU 177 CO 0.21 -0.17 -0.21 0.61 -1.11 0.00 0.00 177.39 176.72 3n2a n GLY 178 N 3.85 1.22 3.37 -3.96 0.00 -1.26 -4.90 105.19 103.50 3n2a n GLY 178 Ca 0.19 -0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 3n2a n GLY 178 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n2a s TYR 179 N -2.82 3.35 0.28 1.61 5.04 -1.02 -4.62 117.35 119.17 3n2a s TYR 179 Ca 0.00 -1.51 0.03 0.00 -2.44 0.00 0.00 57.07 53.16 3n2a s TYR 179 Cb 0.00 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.29 3n2a s TYR 179 CO 0.00 -1.20 0.19 0.16 -1.34 0.00 0.00 175.55 173.36 3n2a s ASP 180 N 3.04 1.18 0.30 4.32 1.47 -1.26 -4.86 116.67 120.86 3n2a s ASP 180 Ca 0.18 -1.57 0.02 0.00 1.18 0.00 0.00 52.55 52.37 3n2a s ASP 180 Cb -0.14 0.44 0.59 0.00 -0.34 0.00 0.00 42.92 43.46 3n2a s ASP 180 CO -0.04 -0.93 1.86 0.03 0.68 0.00 0.00 175.17 176.77 3n2a h ARG 181 N 2.31 0.94 -0.18 2.11 3.08 -1.95 -1.14 114.38 119.54 3n2a h ARG 181 Ca -0.32 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3n2a h ARG 181 Cb 1.24 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3n2a h ARG 181 CO 0.47 0.62 0.09 0.93 -1.07 0.00 0.00 179.97 181.01 3n2a h GLU 182 N 0.96 0.26 -0.48 0.04 4.39 -1.96 -0.60 114.58 117.20 3n2a h GLU 182 Ca 0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 3n2a h GLU 182 Cb 0.46 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3n2a h GLU 182 CO -0.23 0.28 0.22 1.03 -1.16 0.00 0.00 179.01 179.15 3n2a h SER 183 N 0.17 0.64 -0.38 1.42 0.87 -1.68 -1.14 113.55 113.44 3n2a h SER 183 Ca 0.06 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3n2a h SER 183 Cb 0.11 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3n2a h SER 183 CO -0.01 0.60 0.17 0.40 -0.53 0.00 0.00 176.83 177.46 3n2a h ILE 184 N 0.63 1.18 -0.59 2.23 2.04 -1.15 -2.55 117.51 119.30 3n2a h ILE 184 Ca 0.16 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3n2a h ILE 184 Cb 0.15 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3n2a h ILE 184 CO -0.02 0.20 0.06 1.23 0.00 0.00 0.00 178.15 179.63 3n2a h GLY 185 N 0.48 1.09 0.86 5.37 0.00 -0.90 -2.63 103.07 107.34 3n2a h GLY 185 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.73 3n2a h GLY 185 CO -0.01 0.69 0.16 -0.09 0.00 0.00 0.00 176.54 177.29 3n2a h ARG 186 N 0.91 0.32 -0.26 4.80 2.43 -1.08 -1.66 114.38 119.84 3n2a h ARG 186 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3n2a h ARG 186 Cb 0.47 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3n2a h ARG 186 CO 0.02 0.21 0.14 1.49 -1.51 0.00 0.00 179.97 180.32 3n2a h GLU 187 N 0.33 0.36 -0.55 0.20 4.81 -1.39 -2.70 114.58 115.64 3n2a h GLU 187 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3n2a h GLU 187 Cb 0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3n2a h GLU 187 CO -0.09 0.32 0.27 0.87 -0.73 0.00 0.00 179.01 179.65 3n2a h LYS 188 N 0.30 0.77 0.00 1.92 1.57 -1.29 -0.36 116.57 119.49 3n2a h LYS 188 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3n2a h LYS 188 Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3n2a h LYS 188 CO -0.01 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3n2a n ALA 189 N -2.45 1.56 0.22 3.86 0.00 -0.64 -2.31 120.51 120.75 3n2a n ALA 189 Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.59 3n2a n ALA 189 Cb 0.13 -1.29 0.34 0.00 0.00 0.00 0.00 19.45 18.63 3n2a n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2a n GLY 190 N -0.22 -0.86 0.01 0.00 0.00 -0.93 -0.93 105.19 102.26 3n2a n GLY 190 Ca 0.02 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3n2a n GLY 190 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3n2a n VAL 191 N -1.89 0.00 -1.10 1.61 0.24 -0.98 -4.59 118.33 111.62 3n2a n VAL 191 Ca 0.01 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3n2a n VAL 191 Cb 0.09 -0.35 0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3n2a n VAL 191 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3n2a s PHE 192 N -2.91 2.25 0.01 6.34 0.08 -0.10 -4.80 117.98 118.85 3n2a s PHE 192 Ca 0.16 1.47 0.01 0.00 0.12 0.00 0.00 56.93 58.69 3n2a s PHE 192 Cb 0.19 -3.14 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 3n2a s PHE 192 CO 0.55 -2.30 -0.05 1.03 -0.10 0.00 0.00 175.22 174.35 3n2a s ARG 193 N -4.85 0.36 0.27 0.44 1.81 -1.26 -5.04 118.95 110.68 3n2a s ARG 193 Ca 0.63 -0.31 -0.31 0.00 -1.72 0.00 0.00 55.73 54.02 3n2a s ARG 193 Cb -0.19 -0.27 -0.13 0.00 -0.45 0.00 0.00 34.95 33.92 3n2a s ARG 193 CO 0.57 0.07 1.47 0.41 -0.68 0.00 0.00 175.30 177.14 3n2a n GLY 194 N 2.54 0.97 2.86 -3.53 0.00 -1.24 -1.90 105.19 104.89 3n2a n GLY 194 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3n2a n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n2a n GLY 195 N 2.07 0.45 3.50 -0.02 0.00 -0.08 -4.87 105.19 106.24 3n2a n GLY 195 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3n2a n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n2a s LYS 196 N -0.60 1.82 0.27 1.61 -0.14 -0.80 -4.88 119.74 117.02 3n2a s LYS 196 Ca 0.00 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.04 3n2a s LYS 196 Cb 0.00 -2.08 -0.11 0.00 -1.68 0.00 0.00 37.83 33.96 3n2a s LYS 196 CO 0.00 0.45 1.57 -2.14 -0.76 0.00 0.00 175.35 174.47 3n2a s PRO 197 N -2.45 4.16 -0.34 -1.68 0.02 -1.26 -1.23 135.00 132.22 3n2a s PRO 197 Ca 0.21 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.76 3n2a s PRO 197 Cb -0.10 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.47 3n2a s PRO 197 CO 0.12 -0.59 0.06 0.00 -0.33 0.00 0.00 177.00 176.25 3n2a s ALA 198 N 0.19 2.91 -0.21 -1.55 0.00 0.46 -2.35 121.76 121.22 3n2a s ALA 198 Ca 0.64 -2.54 -0.18 0.00 0.00 0.00 0.00 51.96 49.87 3n2a s ALA 198 Cb -0.46 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3n2a s ALA 198 CO 0.44 -1.70 0.51 0.08 0.00 0.00 0.00 175.76 175.10 3n2a s VAL 199 N 0.90 5.11 -0.25 0.00 1.01 -0.02 -1.14 120.40 126.01 3n2a s VAL 199 Ca 0.11 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 3n2a s VAL 199 Cb -0.19 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.39 3n2a s VAL 199 CO -0.08 0.17 -0.08 -0.69 0.00 0.00 0.00 175.10 174.42 3n2a s VAL 200 N 1.70 2.62 -2.25 2.92 1.01 -0.51 -0.76 120.40 125.14 3n2a s VAL 200 Ca 0.23 -1.24 0.20 0.00 0.00 0.00 0.00 61.98 61.18 3n2a s VAL 200 Cb -0.15 -2.39 0.46 0.00 0.00 0.00 0.00 36.38 34.30 3n2a s VAL 200 CO 0.09 0.12 1.44 0.61 0.00 0.00 0.00 175.10 177.37 3n2a n GLY 201 N 4.59 1.38 3.63 4.51 0.00 0.18 -0.57 105.19 118.92 3n2a n GLY 201 Ca -0.16 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3n2a n GLY 201 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n2a s GLU 202 N -1.46 4.08 0.32 1.61 2.56 -1.24 -4.74 118.70 119.83 3n2a s GLU 202 Ca 0.37 0.84 0.15 0.00 0.00 0.00 0.00 54.97 56.33 3n2a s GLU 202 Cb 0.20 -3.69 0.47 0.00 2.00 0.00 0.00 34.13 33.12 3n2a s GLU 202 CO 0.28 -0.64 1.64 -1.00 -0.56 0.00 0.00 175.26 174.99 3n2a h PRO 203 N 7.90 0.00 -2.93 4.30 0.13 -1.88 -3.33 132.00 136.18 3n2a h PRO 203 Ca -0.23 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.16 3n2a h PRO 203 Cb 1.09 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.89 3n2a h PRO 203 CO 0.90 0.50 0.27 -3.47 -0.23 0.00 0.00 178.00 175.97 3n2a n ASP 204 N -3.58 5.29 -4.69 1.44 2.03 -1.26 -5.01 116.55 110.77 3n2a n ASP 204 Ca -0.00 -3.32 -0.42 0.00 0.52 0.00 0.00 54.79 51.57 3n2a n ASP 204 Cb 0.59 -1.11 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 3n2a n ASP 204 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 3n2a s MET 205 N -2.25 4.40 0.48 -0.67 -2.45 -1.25 -4.95 119.30 112.61 3n2a s MET 205 Ca 0.32 1.44 -0.23 0.00 -1.25 0.00 0.00 55.69 55.97 3n2a s MET 205 Cb 0.03 -3.55 -0.07 0.00 1.25 0.00 0.00 34.83 32.49 3n2a s MET 205 CO 0.01 -0.36 1.27 -1.25 1.05 0.00 0.00 175.02 175.74 3n2a s PRO 206 N 2.12 3.58 0.37 4.11 0.04 -1.26 -4.91 135.00 139.05 3n2a s PRO 206 Ca 0.49 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.64 3n2a s PRO 206 Cb -0.19 -2.43 0.80 0.00 0.04 0.00 0.00 34.50 32.72 3n2a s PRO 206 CO 0.18 -0.77 1.95 0.37 0.04 0.00 0.00 177.00 178.76 3n2a h GLN 207 N 1.98 0.67 -1.04 4.56 5.75 -1.95 -2.24 115.11 122.84 3n2a h GLN 207 Ca -0.50 -0.04 0.28 0.00 -0.15 0.00 0.00 58.65 58.24 3n2a h GLN 207 Cb 1.27 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 3n2a h GLN 207 CO 0.60 0.44 0.70 0.66 -2.65 0.00 0.00 178.83 178.58 3n2a h SER 208 N 0.69 0.28 -0.25 -0.69 4.64 -1.91 -0.47 113.55 115.83 3n2a h SER 208 Ca 0.33 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 3n2a h SER 208 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3n2a h SER 208 CO -0.11 0.06 -0.03 0.40 -0.87 0.00 0.00 176.83 176.28 3n2a h ILE 209 N 0.25 1.27 -0.88 0.95 2.04 -1.65 -0.66 117.51 118.83 3n2a h ILE 209 Ca 0.55 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3n2a h ILE 209 Cb 1.68 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 3n2a h ILE 209 CO -0.18 0.31 0.55 0.00 0.00 0.00 0.00 178.15 178.83 3n2a h ALA 210 N 0.79 1.13 -0.23 1.87 0.00 -1.39 -1.00 119.26 120.42 3n2a h ALA 210 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n2a h ALA 210 Cb 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3n2a h ALA 210 CO 0.02 0.57 0.14 -0.44 0.00 0.00 0.00 179.25 179.54 3n2a h ASP 211 N 1.21 0.28 -0.48 0.00 3.32 -0.84 -1.09 116.42 118.82 3n2a h ASP 211 Ca 0.32 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3n2a h ASP 211 Cb -0.08 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3n2a h ASP 211 CO -0.06 0.24 0.06 0.58 -1.72 0.00 0.00 179.24 178.34 3n2a h VAL 212 N 0.29 1.25 -0.86 -1.35 2.07 -1.00 0.18 116.25 116.83 3n2a h VAL 212 Ca 0.08 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.74 3n2a h VAL 212 Cb 0.01 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3n2a h VAL 212 CO -0.02 0.34 0.51 0.00 0.02 0.00 0.00 177.57 178.42 3n2a h ALA 213 N 0.95 1.24 -0.27 1.67 0.00 -0.87 0.17 119.26 122.15 3n2a h ALA 213 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3n2a h ALA 213 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3n2a h ALA 213 CO 0.01 0.15 -0.25 0.00 0.00 0.00 0.00 179.25 179.16 3n2a h ALA 214 N 1.46 0.39 -0.83 0.00 0.00 -0.83 0.17 119.26 119.63 3n2a h ALA 214 Ca 0.41 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3n2a h ALA 214 Cb 0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3n2a h ALA 214 CO -0.24 0.38 0.51 0.93 0.00 0.00 0.00 179.25 180.82 3n2a h GLU 215 N 0.37 0.91 0.00 0.00 5.08 -0.23 -2.29 114.58 118.42 3n2a h GLU 215 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3n2a h GLU 215 Cb 0.81 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3n2a h GLU 215 CO 0.06 0.60 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.95 3n2a h LEU 216 N 0.93 0.00 0.50 1.33 3.38 -0.93 -3.48 115.31 117.04 3n2a h LEU 216 Ca 0.36 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3n2a h LEU 216 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3n2a h LEU 216 CO -0.17 0.05 -0.10 0.61 0.09 0.00 0.00 178.44 178.92 3n2a n GLY 217 N 1.25 0.30 3.86 0.83 0.00 0.37 -3.72 105.19 108.07 3n2a n GLY 217 Ca 0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3n2a n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2a s ALA 218 N -2.19 3.11 -0.45 4.61 0.00 0.09 -0.90 121.76 126.03 3n2a s ALA 218 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 3n2a s ALA 218 Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.09 3n2a s ALA 218 CO 0.00 -0.42 0.49 -0.65 0.00 0.00 0.00 175.76 175.19 3n2a s GLN 219 N -4.54 3.10 -0.13 0.00 1.11 -0.36 -4.64 119.66 114.19 3n2a s GLN 219 Ca 0.56 -0.85 -0.25 0.00 0.01 0.00 0.00 55.36 54.84 3n2a s GLN 219 Cb -0.10 -4.02 -0.02 0.00 -1.01 0.00 0.00 33.01 27.85 3n2a s GLN 219 CO 0.41 -0.98 0.79 -1.17 0.01 0.00 0.00 175.29 174.35 3n2a s LEU 220 N 2.24 4.23 -0.34 2.90 2.96 -1.26 -0.40 118.68 129.02 3n2a s LEU 220 Ca 0.12 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 3n2a s LEU 220 Cb -0.18 -3.19 0.10 0.00 0.50 0.00 0.00 46.19 43.42 3n2a s LEU 220 CO 0.13 -0.29 0.08 -0.31 -1.32 0.00 0.00 176.35 174.64 3n2a s TYR 221 N 1.62 2.95 -0.02 5.38 2.02 -0.29 -4.94 117.35 124.06 3n2a s TYR 221 Ca 0.38 -2.53 -0.15 0.00 -0.37 0.00 0.00 57.07 54.40 3n2a s TYR 221 Cb -0.17 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 3n2a s TYR 221 CO 0.15 -0.91 0.40 1.03 -1.57 0.00 0.00 175.55 174.65 3n2a s ARG 222 N 1.11 3.97 0.30 -0.62 0.52 -1.26 -1.43 118.95 121.54 3n2a s ARG 222 Ca 0.11 0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 3n2a s ARG 222 Cb -0.19 -3.25 -0.13 0.00 0.52 0.00 0.00 34.95 31.90 3n2a s ARG 222 CO -0.14 0.62 1.26 -2.13 0.02 0.00 0.00 175.30 174.93 3n2a n ARG 223 N 2.11 1.92 -0.81 3.54 0.63 0.26 -0.90 116.66 123.41 3n2a n ARG 223 Ca -0.13 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 3n2a n ARG 223 Cb 0.52 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3n2a n ARG 223 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3n2a n ASP 224 N 1.25 -1.30 0.02 6.15 8.00 0.15 -4.76 116.55 126.05 3n2a n ASP 224 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.57 3n2a n ASP 224 Cb 0.34 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 39.90 3n2a n ASP 224 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3n2a n VAL 225 N -2.13 0.60 -0.00 2.53 0.31 -0.77 -4.90 118.33 113.96 3n2a n VAL 225 Ca 0.00 0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 64.53 3n2a n VAL 225 Cb 0.07 -1.35 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 3n2a n VAL 225 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n2a n ALA 226 N -3.02 1.95 -2.99 3.52 0.00 -0.08 -4.97 120.51 114.92 3n2a n ALA 226 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.62 3n2a n ALA 226 Cb 0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 3n2a n ALA 226 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3n2a s TRP 227 N -2.91 -0.16 0.28 0.00 1.48 -1.17 -3.44 118.94 113.02 3n2a s TRP 227 Ca -0.05 -0.06 -0.20 0.00 -1.06 0.00 0.00 56.10 54.73 3n2a s TRP 227 Cb 0.09 0.18 0.03 0.00 -1.16 0.00 0.00 33.47 32.62 3n2a s TRP 227 CO 0.83 -0.61 0.78 -1.59 -4.06 0.00 0.00 176.95 172.29 3n2a s LYS 228 N -3.22 1.80 0.22 3.25 -2.85 -0.18 0.31 119.74 119.07 3n2a s LYS 228 Ca -0.01 -1.04 -0.13 0.00 -1.00 0.00 0.00 55.97 53.80 3n2a s LYS 228 Cb 0.01 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 3n2a s LYS 228 CO -0.08 -0.83 0.44 -0.59 0.10 0.00 0.00 175.35 174.40 3n2a s PHE 229 N -3.43 0.29 0.23 1.78 -0.12 -1.26 -1.08 117.98 114.38 3n2a s PHE 229 Ca 0.12 -0.65 -0.21 0.00 -0.05 0.00 0.00 56.93 56.15 3n2a s PHE 229 Cb -0.05 0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 3n2a s PHE 229 CO 0.07 -0.92 0.65 -1.54 -0.05 0.00 0.00 175.22 173.43 3n2a s SER 230 N -2.98 -0.36 0.00 1.98 1.04 -0.25 -5.00 113.70 108.12 3n2a s SER 230 Ca 0.19 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3n2a s SER 230 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3n2a s SER 230 CO 0.05 -1.17 0.00 0.00 0.98 0.00 0.00 173.24 173.10 3n2a n GLN 231 N -0.41 0.00 0.00 4.02 1.13 -1.26 -1.01 117.38 119.84 3n2a n GLN 231 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 3n2a n GLN 231 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 3n2a n GLN 231 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3n2a n ASN 246 N 0.00 0.00 0.00 1.08 0.23 -1.26 -4.88 115.26 110.43 3n2a n ASN 246 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3n2a n ASN 246 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3n2a n ASN 246 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3n2a n GLY 247 N 0.00 -1.24 3.17 4.83 0.00 -1.26 -4.54 105.19 106.16 3n2a n GLY 247 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 3n2a n GLY 247 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3n2a s TRP 248 N 0.00 0.90 0.04 1.61 1.48 -0.78 -4.85 118.94 117.35 3n2a s TRP 248 Ca 0.00 -1.24 0.06 0.00 -1.06 0.00 0.00 56.10 53.86 3n2a s TRP 248 Cb 0.00 -0.47 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 3n2a s TRP 248 CO 0.00 -0.56 -0.16 -1.01 -4.06 0.00 0.00 176.95 171.16 3n2a s HIS 249 N -4.07 1.44 0.01 1.66 3.76 -0.18 -0.00 115.29 117.90 3n2a s HIS 249 Ca 0.27 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 3n2a s HIS 249 Cb 0.07 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 3n2a s HIS 249 CO 0.04 0.06 -0.06 -0.46 -0.85 0.00 0.00 174.74 173.47 3n2a s TRP 250 N -0.85 0.53 -0.03 1.40 -0.00 -0.12 -1.10 118.94 118.78 3n2a s TRP 250 Ca 0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 56.10 55.94 3n2a s TRP 250 Cb -0.08 -0.33 0.02 0.00 -0.00 0.00 0.00 33.47 33.07 3n2a s TRP 250 CO 0.02 -0.02 0.07 -1.14 -0.00 0.00 0.00 176.95 175.87 3n2a s GLN 251 N -0.44 0.04 -0.29 5.86 0.74 -0.24 -0.74 119.66 124.59 3n2a s GLN 251 Ca -0.00 0.17 -0.01 0.00 0.05 0.00 0.00 55.36 55.57 3n2a s GLN 251 Cb -0.04 -0.09 0.09 0.00 1.10 0.00 0.00 33.01 34.07 3n2a s GLN 251 CO -0.00 -0.09 0.08 0.00 -0.55 0.00 0.00 175.29 174.73 3n2a n GLY 253 N 4.83 3.81 0.33 0.00 0.00 -1.22 -1.70 105.19 111.23 3n2a n GLY 253 Ca -0.03 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3n2a n GLY 253 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n2a n GLU 254 N 11.27 1.05 -2.74 1.61 1.02 -1.26 -4.82 120.64 126.76 3n2a n GLU 254 Ca 0.00 -0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 56.05 3n2a n GLU 254 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 3n2a n GLU 254 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3n2a s ARG 255 N -2.41 4.29 -0.08 3.49 6.06 -0.69 -5.03 118.95 124.57 3n2a s ARG 255 Ca 0.26 1.24 0.03 0.00 -2.50 0.00 0.00 55.73 54.76 3n2a s ARG 255 Cb 0.19 -3.61 0.01 0.00 0.06 0.00 0.00 34.95 31.60 3n2a s ARG 255 CO 0.49 -0.50 -0.17 -0.65 -2.50 0.00 0.00 175.30 171.97 3n2a s GLN 256 N 2.73 2.24 -0.30 5.12 -0.21 -1.26 -1.02 119.66 126.96 3n2a s GLN 256 Ca 0.42 -0.61 -0.07 0.00 0.02 0.00 0.00 55.36 55.13 3n2a s GLN 256 Cb -0.16 -1.77 0.01 0.00 1.00 0.00 0.00 33.01 32.09 3n2a s GLN 256 CO 0.10 0.10 0.08 -0.51 -2.12 0.00 0.00 175.29 172.93 3n2a s LEU 257 N 0.51 3.84 0.04 2.90 1.43 0.08 -5.00 118.68 122.48 3n2a s LEU 257 Ca -0.16 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 3n2a s LEU 257 Cb -0.17 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3n2a s LEU 257 CO 0.06 -0.19 -0.11 0.42 0.23 0.00 0.00 176.35 176.75 3n2a s THR 258 N 1.49 3.32 -1.28 5.49 -4.23 -1.26 -0.94 115.64 118.23 3n2a s THR 258 Ca 0.02 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 3n2a s THR 258 Cb -0.17 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.22 3n2a s THR 258 CO 0.02 0.32 1.11 0.61 -0.54 0.00 0.00 174.62 176.15 3n2a n GLY 259 N 1.39 -0.46 3.78 3.99 0.00 -0.96 -4.95 105.19 107.98 3n2a n GLY 259 Ca -0.15 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3n2a n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n2a s LEU 260 N -6.93 3.96 0.35 0.99 1.43 0.99 -4.69 118.68 114.79 3n2a s LEU 260 Ca 0.50 2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 55.48 3n2a s LEU 260 Cb -0.22 -4.34 -0.11 0.00 0.03 0.00 0.00 46.19 41.54 3n2a s LEU 260 CO 0.70 -0.86 1.53 -2.65 0.23 0.00 0.00 176.35 175.29 3n2a n PRO 261 N -0.63 2.70 -2.55 1.29 -0.02 -1.26 -1.86 135.00 132.66 3n2a n PRO 261 Ca 0.08 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 62.08 3n2a n PRO 261 Cb 0.50 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3n2a n PRO 261 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n2a s VAL 262 N -0.74 4.35 0.64 -1.45 1.01 -1.26 -4.78 120.40 118.17 3n2a s VAL 262 Ca 0.57 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.98 3n2a s VAL 262 Cb -0.48 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 3n2a s VAL 262 CO 0.59 -0.50 1.05 -2.16 0.00 0.00 0.00 175.10 174.08 3n2a s PRO 263 N 3.88 3.39 -0.11 2.72 0.04 -1.26 -4.88 135.00 138.79 3n2a s PRO 263 Ca 0.50 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 3n2a s PRO 263 Cb -0.14 -2.06 -0.18 0.00 0.04 0.00 0.00 34.50 32.16 3n2a s PRO 263 CO 0.19 -0.71 3.36 -1.71 0.04 0.00 0.00 177.00 178.18 3n2a n ASN 264 N -2.83 5.54 -4.05 6.66 5.15 -1.21 -4.78 115.26 119.74 3n2a n ASN 264 Ca 0.06 -2.65 -0.07 0.00 -0.60 0.00 0.00 54.58 51.32 3n2a n ASN 264 Cb 0.55 -1.36 -0.09 0.00 -0.53 0.00 0.00 39.78 38.34 3n2a n ASN 264 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n2a s VAL 265 N 0.19 0.20 0.25 3.44 -7.23 -1.26 -4.48 120.40 111.50 3n2a s VAL 265 Ca 0.63 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.79 3n2a s VAL 265 Cb 0.32 -1.51 -0.12 0.00 0.56 0.00 0.00 36.38 35.63 3n2a s VAL 265 CO -0.05 -0.91 1.62 -2.65 -0.31 0.00 0.00 175.10 172.80 3n2a n PRO 266 N 0.07 2.61 -0.33 4.82 -0.02 -1.26 -4.86 135.00 136.03 3n2a n PRO 266 Ca -0.14 0.93 -0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3n2a n PRO 266 Cb 0.61 -2.72 0.13 0.00 -0.02 0.00 0.00 33.50 31.50 3n2a n PRO 266 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3n2a h LEU 267 N 5.45 0.95 -0.89 2.45 3.38 -2.00 -1.14 115.31 123.51 3n2a h LEU 267 Ca -0.45 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.72 3n2a h LEU 267 Cb 1.22 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 3n2a h LEU 267 CO 0.85 0.64 0.40 0.00 0.09 0.00 0.00 178.44 180.41 3n2a h ALA 268 N 1.39 1.40 -0.04 1.53 0.00 -1.98 -0.26 119.26 121.31 3n2a h ALA 268 Ca 0.37 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 55.24 3n2a h ALA 268 Cb 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n2a h ALA 268 CO -0.14 -0.30 -0.80 -0.91 0.00 0.00 0.00 179.25 177.10 3n2a h ASN 269 N 0.43 0.40 -0.35 0.00 2.35 -1.58 -1.14 115.58 115.69 3n2a h ASN 269 Ca 0.54 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 3n2a h ASN 269 Cb 0.99 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3n2a h ASN 269 CO -0.50 1.05 -0.03 0.00 -1.65 0.00 0.00 177.43 176.30 3n2a h ALA 270 N 0.94 1.13 -0.35 -0.83 0.00 -1.05 -0.50 119.26 118.60 3n2a h ALA 270 Ca -0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3n2a h ALA 270 Cb 1.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3n2a h ALA 270 CO 0.13 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 3n2a h ALA 271 N 1.29 0.48 -0.55 0.00 0.00 -0.83 -0.27 119.26 119.38 3n2a h ALA 271 Ca 0.13 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3n2a h ALA 271 Cb 0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3n2a h ALA 271 CO 0.02 0.34 0.29 1.15 0.00 0.00 0.00 179.25 181.05 3n2a h THR 272 N 0.46 0.96 -0.20 0.00 2.02 -0.95 -1.58 112.91 113.64 3n2a h THR 272 Ca 0.09 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3n2a h THR 272 Cb 0.61 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3n2a h THR 272 CO 0.04 0.10 -0.00 0.00 0.37 0.00 0.00 175.52 176.03 3n2a h ALA 273 N 1.29 0.17 -0.92 6.16 0.00 -0.82 0.03 119.26 125.18 3n2a h ALA 273 Ca 0.24 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3n2a h ALA 273 Cb 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3n2a h ALA 273 CO -0.16 -0.43 0.57 -0.07 0.00 0.00 0.00 179.25 179.16 3n2a h LEU 274 N 0.06 0.88 -0.52 0.00 3.38 -0.74 -0.83 115.31 117.55 3n2a h LEU 274 Ca 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3n2a h LEU 274 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3n2a h LEU 274 CO -0.16 0.54 0.22 0.00 0.09 0.00 0.00 178.44 179.13 3n2a h ALA 275 N 1.45 0.67 -0.47 1.53 0.00 -0.78 0.17 119.26 121.82 3n2a h ALA 275 Ca 0.41 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3n2a h ALA 275 Cb 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3n2a h ALA 275 CO -0.20 0.27 0.23 0.28 0.00 0.00 0.00 179.25 179.84 3n2a h VAL 276 N 0.70 0.96 -0.54 0.00 2.07 -0.45 0.16 116.25 119.14 3n2a h VAL 276 Ca 0.17 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3n2a h VAL 276 Cb 0.18 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3n2a h VAL 276 CO -0.02 0.08 0.11 -0.07 0.02 0.00 0.00 177.57 177.70 3n2a h LEU 277 N 0.46 0.84 0.20 2.57 3.38 -0.72 0.07 115.31 122.11 3n2a h LEU 277 Ca 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3n2a h LEU 277 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3n2a h LEU 277 CO -0.15 0.87 -0.24 -0.74 0.09 0.00 0.00 178.44 178.27 3n2a h HIS 278 N 0.78 -0.64 0.00 1.13 2.76 -0.31 -2.82 115.15 116.05 3n2a h HIS 278 Ca 0.17 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3n2a h HIS 278 Cb 0.37 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3n2a h HIS 278 CO 0.03 -0.35 0.00 1.88 -1.30 0.00 0.00 177.93 178.19 3n2a h TYR 279 N -0.49 0.00 0.00 5.26 -1.99 -0.84 -2.40 116.97 116.50 3n2a h TYR 279 Ca 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3n2a h TYR 279 Cb 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 3n2a h TYR 279 CO -0.18 0.00 -0.12 0.66 -0.00 0.00 0.00 178.16 178.52 3n2a h SER 280 N 0.00 0.00 -0.15 3.88 4.64 -0.73 -3.47 113.55 117.72 3n2a h SER 280 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3n2a h SER 280 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3n2a h SER 280 CO 0.00 0.12 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.40 3n2a n GLU 281 N -3.51 -1.31 -1.83 4.77 1.02 -0.91 -4.98 120.64 113.90 3n2a n GLU 281 Ca -0.01 0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 3n2a n GLU 281 Cb 0.26 -4.56 -0.02 0.00 -0.02 0.00 0.00 31.44 27.11 3n2a n GLU 281 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n2a s LEU 282 N -0.72 4.35 -0.16 -4.62 1.43 -1.26 -4.93 118.68 112.77 3n2a s LEU 282 Ca 0.00 2.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 3n2a s LEU 282 Cb 0.00 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3n2a s LEU 282 CO 0.00 -0.87 1.10 -2.16 0.23 0.00 0.00 176.35 174.66 3n2a s PRO 283 N -0.70 4.30 -0.02 1.29 0.04 -1.26 -4.95 135.00 133.70 3n2a s PRO 283 Ca 0.61 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.13 3n2a s PRO 283 Cb -0.46 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 30.46 3n2a s PRO 283 CO 0.49 -0.55 -0.01 -0.51 0.04 0.00 0.00 177.00 176.47 3n2a s LEU 284 N 2.86 1.39 0.59 -3.56 1.43 -1.26 -5.12 118.68 115.01 3n2a s LEU 284 Ca 0.49 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 3n2a s LEU 284 Cb -0.19 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 3n2a s LEU 284 CO 0.13 -0.07 1.09 -0.94 0.23 0.00 0.00 176.35 176.79 3n2a s SER 285 N 0.73 5.60 0.23 2.29 1.04 -1.26 -4.93 113.70 117.39 3n2a s SER 285 Ca -0.07 1.96 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 3n2a s SER 285 Cb -0.10 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 63.82 3n2a s SER 285 CO -0.01 -1.29 1.76 -0.78 0.98 0.00 0.00 173.24 173.89 3n2a h ASP 286 N 0.57 0.35 -0.62 7.02 3.58 -2.01 -2.39 116.42 122.92 3n2a h ASP 286 Ca -0.48 0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.11 3n2a h ASP 286 Cb 1.24 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.27 3n2a h ASP 286 CO 0.56 0.19 0.34 -0.08 -2.88 0.00 0.00 179.24 177.36 3n2a h GLU 287 N 0.51 0.61 -0.44 0.28 4.81 -2.00 -1.69 114.58 116.67 3n2a h GLU 287 Ca 0.36 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 3n2a h GLU 287 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3n2a h GLU 287 CO -0.32 0.40 -0.20 0.00 -0.73 0.00 0.00 179.01 178.16 3n2a h ALA 288 N 1.33 0.81 -0.39 2.92 0.00 -1.76 0.23 119.26 122.40 3n2a h ALA 288 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3n2a h ALA 288 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3n2a h ALA 288 CO -0.18 0.65 0.21 0.82 0.00 0.00 0.00 179.25 180.75 3n2a h ILE 289 N 0.76 1.15 -0.34 0.00 2.04 -1.17 0.99 117.51 120.93 3n2a h ILE 289 Ca 0.11 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3n2a h ILE 289 Cb 0.74 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3n2a h ILE 289 CO 0.06 0.16 -0.21 0.03 0.00 0.00 0.00 178.15 178.18 3n2a h ARG 290 N 0.49 0.75 -0.65 2.37 3.08 -1.01 -1.82 114.38 117.60 3n2a h ARG 290 Ca 0.14 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3n2a h ARG 290 Cb 0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3n2a h ARG 290 CO -0.02 0.97 0.21 1.96 -1.07 0.00 0.00 179.97 182.01 3n2a h GLN 291 N 0.53 1.01 -0.13 0.04 4.20 -0.84 -1.73 115.11 118.19 3n2a h GLN 291 Ca 0.07 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.57 3n2a h GLN 291 Cb 0.77 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3n2a h GLN 291 CO 0.06 0.88 0.06 0.78 -0.67 0.00 0.00 178.83 179.94 3n2a h GLY 292 N 0.94 0.16 1.04 3.46 0.00 -0.74 -1.93 103.07 106.01 3n2a h GLY 292 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3n2a h GLY 292 CO -0.01 0.03 0.58 1.41 0.00 0.00 0.00 176.54 178.55 3n2a h LEU 293 N 0.13 0.96 -1.21 3.11 3.38 -1.11 -0.72 115.31 119.84 3n2a h LEU 293 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3n2a h LEU 293 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3n2a h LEU 293 CO -0.04 0.66 -0.24 1.56 0.09 0.00 0.00 178.44 180.47 3n2a h GLN 294 N 1.11 0.00 0.00 1.13 4.20 -0.99 -3.22 115.11 117.35 3n2a h GLN 294 Ca 0.34 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 3n2a h GLN 294 Cb -0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3n2a h GLN 294 CO -0.10 0.24 -1.36 0.00 -0.67 0.00 0.00 178.83 176.94 3n2a n ALA 295 N -2.25 2.15 -2.08 3.87 0.00 -0.69 -4.87 120.51 116.65 3n2a n ALA 295 Ca -0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3n2a n ALA 295 Cb 0.41 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3n2a n ALA 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n2a s ALA 296 N -3.08 3.65 0.01 0.00 0.00 -0.36 -4.98 121.76 117.00 3n2a s ALA 296 Ca -0.03 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 3n2a s ALA 296 Cb 0.09 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.72 3n2a s ALA 296 CO 0.81 -0.77 1.03 -1.54 0.00 0.00 0.00 175.76 175.29 3n2a s SER 297 N 1.42 -0.22 -0.00 0.00 1.04 -1.26 -3.31 113.70 111.38 3n2a s SER 297 Ca 0.67 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 3n2a s SER 297 Cb -0.38 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 3n2a s SER 297 CO 0.30 -0.58 0.01 -0.76 0.98 0.00 0.00 173.24 173.18 3n2a s LEU 298 N -2.65 1.98 0.29 2.42 1.43 -1.26 -4.99 118.68 115.91 3n2a s LEU 298 Ca 0.09 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3n2a s LEU 298 Cb -0.00 0.04 -0.12 0.00 0.03 0.00 0.00 46.19 46.13 3n2a s LEU 298 CO -0.04 -0.03 1.42 -2.65 0.23 0.00 0.00 176.35 175.28 3n2a n PRO 299 N 2.95 2.27 -0.88 1.29 -0.02 -1.26 -2.18 135.00 137.18 3n2a n PRO 299 Ca -0.13 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3n2a n PRO 299 Cb 0.60 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3n2a n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n2a n GLY 300 N 1.62 0.91 3.12 -1.23 0.00 -1.26 -4.98 105.19 103.36 3n2a n GLY 300 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3n2a n GLY 300 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2a s ARG 301 N -0.12 2.09 -1.30 1.61 3.00 -0.92 -1.71 118.95 121.60 3n2a s ARG 301 Ca 0.00 -1.94 -0.21 0.00 0.00 0.00 0.00 55.73 53.58 3n2a s ARG 301 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 34.95 31.36 3n2a s ARG 301 CO 0.00 -1.09 0.52 0.34 0.00 0.00 0.00 175.30 175.07 3n2a n PHE 302 N 4.41 -1.47 -3.30 -0.53 7.35 -1.03 -4.70 117.46 118.19 3n2a n PHE 302 Ca -0.01 0.32 -0.39 0.00 -0.76 0.00 0.00 57.45 56.61 3n2a n PHE 302 Cb 0.41 -2.99 -0.08 0.00 0.35 0.00 0.00 39.48 37.16 3n2a n PHE 302 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3n2a s GLN 303 N -7.11 4.06 -0.22 -4.13 0.74 -0.37 -4.88 119.66 107.75 3n2a s GLN 303 Ca 0.33 0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.70 3n2a s GLN 303 Cb -0.17 -3.64 -0.01 0.00 1.10 0.00 0.00 33.01 30.30 3n2a s GLN 303 CO 0.95 -0.29 0.86 0.08 -0.55 0.00 0.00 175.29 176.34 3n2a s VAL 304 N 2.12 4.83 -0.12 1.34 1.01 -1.26 -0.98 120.40 127.33 3n2a s VAL 304 Ca 0.19 1.65 0.16 0.00 0.00 0.00 0.00 61.98 63.98 3n2a s VAL 304 Cb -0.16 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 3n2a s VAL 304 CO 0.09 -0.06 0.17 0.52 0.00 0.00 0.00 175.10 175.82 3n2a n VAL 305 N 5.13 0.81 -3.56 2.92 0.31 0.61 -5.01 118.33 119.54 3n2a n VAL 305 Ca 0.06 -0.63 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 3n2a n VAL 305 Cb 0.48 -0.35 -0.04 0.00 -0.91 0.00 0.00 33.84 33.01 3n2a n VAL 305 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3n2a s SER 306 N -4.79 -0.38 0.11 4.52 0.15 -1.19 -4.96 113.70 107.16 3n2a s SER 306 Ca -0.08 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.57 3n2a s SER 306 Cb 0.07 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 3n2a s SER 306 CO 0.72 -0.84 -0.23 -1.61 1.20 0.00 0.00 173.24 172.48 3n2a s GLU 307 N -3.39 1.20 -1.16 5.44 2.02 -1.26 -0.93 118.70 120.62 3n2a s GLU 307 Ca -0.00 -1.22 -0.09 0.00 0.02 0.00 0.00 54.97 53.69 3n2a s GLU 307 Cb 0.00 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 3n2a s GLU 307 CO -0.09 0.36 0.83 0.94 0.02 0.00 0.00 175.26 177.31 3n2a n GLN 308 N 1.03 -2.94 -3.08 1.61 -0.06 -1.26 -4.53 117.38 108.15 3n2a n GLN 308 Ca -0.19 0.67 -0.32 0.00 -2.00 0.00 0.00 57.00 55.16 3n2a n GLN 308 Cb 0.53 -5.12 -0.06 0.00 -4.06 0.00 0.00 30.24 21.54 3n2a n GLN 308 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3n2a s PRO 309 N -5.39 3.99 -0.06 3.69 0.04 -1.25 -4.65 135.00 131.38 3n2a s PRO 309 Ca 0.31 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 3n2a s PRO 309 Cb -0.07 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 3n2a s PRO 309 CO 0.80 0.12 1.52 -1.17 0.04 0.00 0.00 177.00 178.31 3n2a s LEU 310 N -3.09 4.29 -0.23 -3.56 2.96 -0.96 -4.71 118.68 113.38 3n2a s LEU 310 Ca 0.54 2.11 -0.03 0.00 -0.22 0.00 0.00 54.13 56.54 3n2a s LEU 310 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3n2a s LEU 310 CO 0.19 -0.85 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.09 3n2a s LEU 311 N 3.51 3.02 -0.04 -0.68 2.96 -0.11 0.12 118.68 127.46 3n2a s LEU 311 Ca 0.67 -0.64 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3n2a s LEU 311 Cb -0.31 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3n2a s LEU 311 CO 0.26 -0.08 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.34 3n2a s ILE 312 N 1.40 2.20 -0.14 6.68 1.01 0.45 -0.28 121.20 132.51 3n2a s ILE 312 Ca 0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3n2a s ILE 312 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 3n2a s ILE 312 CO -0.04 0.58 -0.07 -0.76 0.00 0.00 0.00 174.94 174.64 3n2a s LEU 313 N -0.45 3.04 -0.13 2.97 1.43 -0.16 -0.42 118.68 124.96 3n2a s LEU 313 Ca 0.05 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3n2a s LEU 313 Cb -0.11 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3n2a s LEU 313 CO 0.01 0.17 0.30 -0.62 0.23 0.00 0.00 176.35 176.44 3n2a s ASP 314 N 0.33 -0.18 0.00 2.29 2.15 0.09 -1.24 116.67 120.11 3n2a s ASP 314 Ca -0.07 0.66 0.06 0.00 0.43 0.00 0.00 52.55 53.64 3n2a s ASP 314 Cb -0.15 0.64 0.35 0.00 -0.30 0.00 0.00 42.92 43.46 3n2a s ASP 314 CO 0.04 -0.19 1.18 1.33 -0.17 0.00 0.00 175.17 177.35 3n2a n VAL 315 N 4.59 0.00 -1.54 1.11 0.24 -0.69 -3.89 118.33 118.15 3n2a n VAL 315 Ca -0.19 0.00 -0.55 0.00 -2.04 0.00 0.00 64.34 61.56 3n2a n VAL 315 Cb 0.52 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 3n2a n VAL 315 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n2a n ALA 316 N -0.60 -2.40 -1.98 2.33 0.00 -1.26 -3.83 120.51 112.77 3n2a n ALA 316 Ca 0.04 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3n2a n ALA 316 Cb 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3n2a n ALA 316 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3n2a n HIS 317 N 1.86 0.00 -3.91 0.00 1.44 -1.26 -1.52 115.22 111.83 3n2a n HIS 317 Ca 0.19 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.81 3n2a n HIS 317 Cb 0.14 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.20 3n2a n HIS 317 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3n2a s ASN 318 N -0.82 -0.11 0.38 4.39 2.20 -1.26 -4.62 114.94 115.09 3n2a s ASN 318 Ca 0.00 -0.77 0.07 0.00 -0.94 0.00 0.00 52.86 51.22 3n2a s ASN 318 Cb 0.00 0.55 0.76 0.00 -2.00 0.00 0.00 41.25 40.57 3n2a s ASN 318 CO 0.00 -1.06 1.95 -0.65 -2.94 0.00 0.00 177.10 174.40 3n2a h PRO 319 N 2.30 0.41 -0.45 3.55 0.11 -1.84 -0.87 132.00 135.20 3n2a h PRO 319 Ca -0.28 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3n2a h PRO 319 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3n2a h PRO 319 CO 0.39 0.42 0.09 1.25 -0.21 0.00 0.00 178.00 179.93 3n2a h HIS 320 N 0.40 0.78 -0.62 0.65 6.17 -1.95 0.25 115.15 120.83 3n2a h HIS 320 Ca 0.09 -0.10 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 3n2a h HIS 320 Cb 0.22 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 3n2a h HIS 320 CO 0.01 0.73 0.09 0.00 0.71 0.00 0.00 177.93 179.47 3n2a h ALA 321 N 0.96 0.83 -0.60 5.26 0.00 -1.90 -2.70 119.26 121.11 3n2a h ALA 321 Ca 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3n2a h ALA 321 Cb 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3n2a h ALA 321 CO 0.01 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.03 3n2a h ALA 322 N 1.02 1.18 -0.30 0.00 0.00 -0.86 -0.85 119.26 119.45 3n2a h ALA 322 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3n2a h ALA 322 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3n2a h ALA 322 CO 0.01 0.57 0.13 -0.09 0.00 0.00 0.00 179.25 179.88 3n2a h ARG 323 N 0.88 0.45 -0.81 0.00 9.65 -0.86 0.05 114.38 123.74 3n2a h ARG 323 Ca 0.20 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3n2a h ARG 323 Cb 0.27 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 3n2a h ARG 323 CO -0.01 0.44 0.52 -0.92 2.80 0.00 0.00 179.97 182.80 3n2a h TYR 324 N 0.35 0.97 -0.60 2.20 3.20 -1.18 -1.76 116.97 120.15 3n2a h TYR 324 Ca 0.10 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 3n2a h TYR 324 Cb 0.15 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3n2a h TYR 324 CO -0.01 0.55 -0.01 1.25 -1.64 0.00 0.00 178.16 178.31 3n2a h LEU 325 N 1.01 1.04 -0.51 2.82 5.85 -0.59 -1.31 115.31 123.62 3n2a h LEU 325 Ca 0.33 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3n2a h LEU 325 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3n2a h LEU 325 CO -0.12 1.10 0.25 0.58 -0.34 0.00 0.00 178.44 179.91 3n2a h VAL 326 N 0.95 1.19 -0.37 1.05 2.07 -0.80 0.22 116.25 120.57 3n2a h VAL 326 Ca 0.17 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3n2a h VAL 326 Cb 0.57 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3n2a h VAL 326 CO 0.03 0.22 0.13 0.78 0.02 0.00 0.00 177.57 178.75 3n2a h ASN 327 N 0.68 0.47 -0.03 0.57 2.35 -1.04 -1.25 115.58 117.33 3n2a h ASN 327 Ca 0.18 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 3n2a h ASN 327 Cb 0.11 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.38 3n2a h ASN 327 CO -0.02 0.45 -0.79 0.03 -1.65 0.00 0.00 177.43 175.45 3n2a h ARG 328 N 0.52 0.59 -0.95 0.81 2.47 -0.51 -3.25 114.38 114.07 3n2a h ARG 328 Ca 0.13 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3n2a h ARG 328 Cb 0.14 0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 3n2a h ARG 328 CO -0.01 1.21 0.61 -0.07 0.56 0.00 0.00 179.97 182.26 3n2a h LEU 329 N 0.20 1.11 -1.75 3.04 3.38 -0.43 -2.55 115.31 118.32 3n2a h LEU 329 Ca -0.09 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.06 3n2a h LEU 329 Cb 1.46 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3n2a h LEU 329 CO 0.16 0.82 0.59 0.00 0.09 0.00 0.00 178.44 180.10 3n2a h ALA 330 N 1.37 2.49 -0.67 1.53 0.00 -1.26 -1.60 119.26 121.13 3n2a h ALA 330 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3n2a h ALA 330 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n2a h ALA 330 CO -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 178.43 3n2a n GLN 331 N -4.40 3.57 0.00 0.00 10.64 -0.96 -5.12 117.38 121.10 3n2a n GLN 331 Ca 0.18 -2.83 0.00 0.00 -1.83 0.00 0.00 57.00 52.52 3n2a n GLN 331 Cb 0.79 -1.85 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 3n2a n GLN 331 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 3n2a n VAL 332 N 1.23 0.00 0.00 -0.39 0.24 -0.61 -5.13 118.33 113.67 3n2a n VAL 332 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 3n2a n VAL 332 Cb 0.85 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 3n2a n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3n2a n GLY 342 N 2.88 1.03 3.46 7.63 0.00 -1.26 -5.00 105.19 113.92 3n2a n GLY 342 Ca 0.00 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 3n2a n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n2a s LYS 343 N -4.90 1.66 -0.27 1.61 1.02 -1.26 -4.94 119.74 112.66 3n2a s LYS 343 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.57 3n2a s LYS 343 Cb 0.00 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 3n2a s LYS 343 CO 0.00 0.45 0.17 0.08 -0.92 0.00 0.00 175.35 175.13 3n2a s VAL 344 N -1.32 5.20 -0.22 3.17 1.01 -1.26 -1.34 120.40 125.64 3n2a s VAL 344 Ca 0.18 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3n2a s VAL 344 Cb -0.10 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3n2a s VAL 344 CO 0.10 0.27 -0.05 -0.13 0.00 0.00 0.00 175.10 175.29 3n2a s ARG 345 N 1.67 3.32 -0.16 2.72 0.52 -0.04 0.04 118.95 127.01 3n2a s ARG 345 Ca 0.07 -0.66 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3n2a s ARG 345 Cb -0.16 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3n2a s ARG 345 CO 0.09 -0.22 -0.02 0.00 0.02 0.00 0.00 175.30 175.17 3n2a s ALA 346 N 1.46 3.06 -0.33 2.13 0.00 -0.29 -0.87 121.76 126.92 3n2a s ALA 346 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 3n2a s ALA 346 Cb -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3n2a s ALA 346 CO -0.04 0.17 0.17 0.08 0.00 0.00 0.00 175.76 176.14 3n2a s VAL 347 N 0.42 4.60 -0.04 0.00 1.01 0.34 -0.69 120.40 126.04 3n2a s VAL 347 Ca -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3n2a s VAL 347 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3n2a s VAL 347 CO 0.02 -0.01 -0.12 0.54 0.00 0.00 0.00 175.10 175.53 3n2a s VAL 348 N 1.60 1.06 0.01 2.92 0.11 -0.51 -1.27 120.40 124.32 3n2a s VAL 348 Ca 0.04 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 3n2a s VAL 348 Cb -0.18 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3n2a s VAL 348 CO 0.06 0.32 -0.03 -0.83 -3.33 0.00 0.00 175.10 171.30 3n2a s GLY 349 N 0.17 0.15 0.06 6.54 0.00 -1.10 -1.84 107.32 111.29 3n2a s GLY 349 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 3n2a s GLY 349 CO 0.01 -0.21 0.01 1.06 0.00 0.00 0.00 173.10 173.97 3n2a s MET 350 N -0.37 0.64 0.28 2.90 -1.94 -1.26 -2.90 119.30 116.64 3n2a s MET 350 Ca -0.03 -1.14 -0.24 0.00 -1.71 0.00 0.00 55.69 52.58 3n2a s MET 350 Cb -0.03 0.23 -0.09 0.00 2.01 0.00 0.00 34.83 36.95 3n2a s MET 350 CO -0.00 -0.14 0.86 -0.51 -0.01 0.00 0.00 175.02 175.22 3n2a s LEU 351 N -2.83 4.36 0.41 -0.03 1.43 -1.26 -1.24 118.68 119.53 3n2a s LEU 351 Ca 0.05 1.69 0.20 0.00 -1.03 0.00 0.00 54.13 55.05 3n2a s LEU 351 Cb 0.07 -3.82 0.88 0.00 0.03 0.00 0.00 46.19 43.35 3n2a s LEU 351 CO -0.10 -0.01 1.83 0.77 0.23 0.00 0.00 176.35 179.07 3n2a h SER 352 N 3.35 0.00 -0.08 2.29 4.64 -0.63 -2.47 113.55 120.66 3n2a h SER 352 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3n2a h SER 352 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3n2a h SER 352 CO 0.65 0.30 0.00 -0.90 -0.87 0.00 0.00 176.83 176.01 3n2a n ASP 353 N -3.62 0.77 -4.94 4.97 5.75 -1.26 -4.86 116.55 113.37 3n2a n ASP 353 Ca -0.01 -1.56 -0.25 0.00 -0.01 0.00 0.00 54.79 52.96 3n2a n ASP 353 Cb 0.42 -0.05 0.02 0.00 -1.03 0.00 0.00 41.12 40.48 3n2a n ASP 353 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3n2a s LYS 354 N -1.90 3.04 -1.22 0.11 -0.14 -0.93 -1.19 119.74 117.51 3n2a s LYS 354 Ca 0.29 -0.27 -0.20 0.00 -1.36 0.00 0.00 55.97 54.44 3n2a s LYS 354 Cb 0.15 -2.44 0.04 0.00 -1.68 0.00 0.00 37.83 33.90 3n2a s LYS 354 CO 0.23 -0.43 1.71 0.34 -0.76 0.00 0.00 175.35 176.45 3n2a s ASP 355 N -4.24 6.51 0.11 2.83 2.15 -1.26 -4.43 116.67 118.34 3n2a s ASP 355 Ca 0.50 -2.12 -0.17 0.00 0.43 0.00 0.00 52.55 51.20 3n2a s ASP 355 Cb -0.10 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 3n2a s ASP 355 CO 0.41 -1.51 1.62 0.40 -0.17 0.00 0.00 175.17 175.92 3n2a h ILE 356 N 5.92 1.22 -0.15 4.11 2.04 -1.90 -1.91 117.51 126.84 3n2a h ILE 356 Ca 0.37 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3n2a h ILE 356 Cb 0.91 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3n2a h ILE 356 CO 1.42 0.24 0.05 0.00 0.00 0.00 0.00 178.15 179.86 3n2a h ALA 357 N 0.93 0.16 -0.21 1.87 0.00 -1.95 -1.28 119.26 118.78 3n2a h ALA 357 Ca 0.11 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3n2a h ALA 357 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n2a h ALA 357 CO -0.00 -0.39 -0.46 0.78 0.00 0.00 0.00 179.25 179.17 3n2a h GLY 358 N 0.12 0.58 0.69 0.00 0.00 -1.95 -1.77 103.07 100.73 3n2a h GLY 358 Ca 0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3n2a h GLY 358 CO -0.06 0.55 -0.00 -0.84 0.00 0.00 0.00 176.54 176.19 3n2a h THR 359 N 0.42 1.26 -0.64 4.70 2.02 -1.12 -2.46 112.91 117.09 3n2a h THR 359 Ca 0.03 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 3n2a h THR 359 Cb 0.98 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 3n2a h THR 359 CO 0.09 0.20 0.20 -0.07 0.37 0.00 0.00 175.52 176.32 3n2a h LEU 360 N -0.28 0.90 -0.52 2.58 3.38 -1.26 -1.55 115.31 118.56 3n2a h LEU 360 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3n2a h LEU 360 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3n2a h LEU 360 CO 0.00 0.84 0.31 0.00 0.09 0.00 0.00 178.44 179.68 3n2a h ALA 361 N 1.28 0.66 0.13 1.53 0.00 -1.27 0.12 119.26 121.72 3n2a h ALA 361 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3n2a h ALA 361 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n2a h ALA 361 CO -0.01 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 3n2a h LEU 363 N -0.42 0.38 -0.88 0.00 3.38 -1.15 -1.60 115.31 115.02 3n2a h LEU 363 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3n2a h LEU 363 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3n2a h LEU 363 CO 0.03 0.27 0.00 -1.20 0.09 0.00 0.00 178.44 177.63 3n2a n SER 364 N -4.48 0.45 0.25 -0.43 7.64 0.42 -1.19 113.62 116.27 3n2a n SER 364 Ca 0.03 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.70 3n2a n SER 364 Cb 0.10 -0.74 0.66 0.00 -1.01 0.00 0.00 64.21 63.21 3n2a n SER 364 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3n2a h GLU 365 N 0.00 0.00 0.00 1.43 5.08 -1.31 -3.35 114.58 116.43 3n2a h GLU 365 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n2a h GLU 365 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3n2a h GLU 365 CO 0.00 0.15 -0.85 -2.13 -1.00 0.00 0.00 179.01 175.18 3n2a n ARG 366 N -3.56 2.78 -2.29 2.33 3.00 -0.34 -5.05 116.66 113.54 3n2a n ARG 366 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.43 3n2a n ARG 366 Cb 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 32.46 31.79 3n2a n ARG 366 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3n2a s VAL 367 N -1.81 3.36 -0.20 5.15 1.01 -0.54 -4.63 120.40 122.74 3n2a s VAL 367 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.14 3n2a s VAL 367 Cb 0.00 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.44 3n2a s VAL 367 CO 0.00 0.19 0.03 0.47 0.00 0.00 0.00 175.10 175.79 3n2a n ASP 368 N 2.43 1.85 -3.92 3.32 8.00 0.11 -4.85 116.55 123.49 3n2a n ASP 368 Ca 0.05 0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 3n2a n ASP 368 Cb 0.44 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 3n2a n ASP 368 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3n2a s GLU 369 N -2.53 0.55 -0.09 -1.24 0.41 -0.71 -5.01 118.70 110.08 3n2a s GLU 369 Ca -0.28 -0.12 0.01 0.00 -0.41 0.00 0.00 54.97 54.18 3n2a s GLU 369 Cb 0.08 -0.58 -0.02 0.00 -1.78 0.00 0.00 34.13 31.83 3n2a s GLU 369 CO 0.68 0.01 -0.13 -1.58 -0.49 0.00 0.00 175.26 173.75 3n2a s TRP 370 N 0.41 2.77 -0.36 1.61 0.52 -1.26 -1.14 118.94 121.49 3n2a s TRP 370 Ca -0.05 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.69 3n2a s TRP 370 Cb -0.08 -1.75 0.11 0.00 -1.15 0.00 0.00 33.47 30.59 3n2a s TRP 370 CO -0.00 -0.02 0.11 0.71 0.02 0.00 0.00 176.95 177.76 3n2a s TYR 371 N -0.15 2.92 -0.01 -1.98 2.02 0.13 -1.62 117.35 118.67 3n2a s TYR 371 Ca -0.01 -2.60 -0.08 0.00 -0.37 0.00 0.00 57.07 54.01 3n2a s TYR 371 Cb -0.13 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 3n2a s TYR 371 CO 0.03 -0.89 0.28 0.00 -1.57 0.00 0.00 175.55 173.40 3n2a s ALA 373 N -1.21 -0.12 0.58 0.00 0.00 -0.76 -0.66 121.76 119.58 3n2a s ALA 373 Ca 0.25 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3n2a s ALA 373 Cb -0.14 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 3n2a s ALA 373 CO 0.13 -0.39 0.97 -1.25 0.00 0.00 0.00 175.76 175.23 3n2a s PRO 374 N -3.09 3.64 0.15 0.00 0.04 -1.26 -4.15 135.00 130.32 3n2a s PRO 374 Ca -0.01 0.67 0.08 0.00 0.04 0.00 0.00 61.00 61.78 3n2a s PRO 374 Cb 0.02 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3n2a s PRO 374 CO -0.07 -0.45 -0.08 -0.51 0.04 0.00 0.00 177.00 175.93 3n2a s LEU 375 N -4.92 3.07 0.00 -3.56 1.43 -0.80 -4.29 118.68 109.61 3n2a s LEU 375 Ca 0.54 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.11 3n2a s LEU 375 Cb -0.11 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.44 3n2a s LEU 375 CO 0.49 0.13 0.74 -0.62 0.23 0.00 0.00 176.35 177.32 3n2a n GLU 376 N 0.29 -0.52 -0.66 1.70 1.02 -1.26 -4.31 120.64 116.90 3n2a n GLU 376 Ca -0.12 -1.34 0.09 0.00 -0.02 0.00 0.00 57.16 55.78 3n2a n GLU 376 Cb 0.54 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.23 3n2a n GLU 376 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n2a n GLY 377 N -0.04 -1.92 0.21 0.62 0.00 -1.26 -3.13 105.19 99.66 3n2a n GLY 377 Ca 0.10 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.92 3n2a n GLY 377 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n2a h PRO 378 N 0.00 0.00 0.00 1.61 0.13 -2.05 -3.28 132.00 128.41 3n2a h PRO 378 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3n2a h PRO 378 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3n2a h PRO 378 CO 0.00 0.23 -0.38 0.54 -0.23 0.00 0.00 178.00 178.16 3n2a n ARG 379 N -3.26 0.10 -2.68 0.86 3.00 -1.26 -4.93 116.66 108.49 3n2a n ARG 379 Ca 0.01 0.04 -0.40 0.00 -0.01 0.00 0.00 57.85 57.49 3n2a n ARG 379 Cb 0.51 -1.57 -0.05 0.00 0.00 0.00 0.00 32.46 31.34 3n2a n ARG 379 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3n2a s GLY 380 N -3.22 3.07 0.46 -0.13 0.00 -1.18 0.05 107.32 106.37 3n2a s GLY 380 Ca 0.10 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.30 3n2a s GLY 380 CO 0.66 1.32 0.99 0.00 0.00 0.00 0.00 173.10 176.07 3n2a s ALA 381 N -0.94 2.97 0.70 3.20 0.00 -0.37 -4.58 121.76 122.74 3n2a s ALA 381 Ca 0.43 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 3n2a s ALA 381 Cb -0.27 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3n2a s ALA 381 CO 0.34 -0.09 1.09 -1.54 0.00 0.00 0.00 175.76 175.56 3n2a s SER 382 N -2.17 5.48 0.30 0.00 1.04 -1.26 -1.90 113.70 115.20 3n2a s SER 382 Ca 0.64 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 3n2a s SER 382 Cb -0.12 -1.95 0.50 0.00 0.10 0.00 0.00 66.02 64.55 3n2a s SER 382 CO 0.17 -1.32 1.93 0.00 0.98 0.00 0.00 173.24 175.00 3n2a h ALA 383 N -0.64 1.48 -0.63 5.32 0.00 -1.89 -2.64 119.26 120.27 3n2a h ALA 383 Ca -0.45 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3n2a h ALA 383 Cb 1.25 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3n2a h ALA 383 CO 0.64 0.40 0.40 0.78 0.00 0.00 0.00 179.25 181.47 3n2a h GLY 384 N 1.06 0.89 1.56 0.00 0.00 -1.93 0.12 103.07 104.77 3n2a h GLY 384 Ca 0.37 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3n2a h GLY 384 CO -0.12 0.27 0.20 1.46 0.00 0.00 0.00 176.54 178.35 3n2a h GLN 385 N 0.79 0.21 0.03 4.80 4.20 -1.85 -0.68 115.11 122.61 3n2a h GLN 385 Ca 0.24 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 3n2a h GLN 385 Cb -0.02 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3n2a h GLN 385 CO -0.08 0.14 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.90 3n2a h LEU 386 N 0.21 0.15 -2.11 1.46 3.38 -1.12 -3.37 115.31 113.92 3n2a h LEU 386 Ca 0.13 -0.94 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 3n2a h LEU 386 Cb 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3n2a h LEU 386 CO -0.02 1.08 -0.02 0.00 0.09 0.00 0.00 178.44 179.56 3n2a h ALA 387 N 0.08 1.79 0.00 1.53 0.00 -0.47 -1.60 119.26 120.58 3n2a h ALA 387 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n2a h ALA 387 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3n2a h ALA 387 CO 0.05 0.03 0.00 1.05 0.00 0.00 0.00 179.25 180.37 3n2a h GLU 388 N 0.00 0.00 -0.02 0.00 4.11 -1.29 -0.71 114.58 116.67 3n2a h GLU 388 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3n2a h GLU 388 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3n2a h GLU 388 CO 0.00 0.00 -0.15 0.72 0.07 0.00 0.00 179.01 179.66 3n2a n HIS 389 N -2.36 0.00 -4.03 2.06 8.25 -0.60 -4.92 115.22 113.62 3n2a n HIS 389 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 3n2a n HIS 389 Cb 0.14 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 3n2a n HIS 389 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n2a s LEU 390 N -2.16 2.94 0.30 2.41 1.43 -0.27 -4.89 118.68 118.44 3n2a s LEU 390 Ca 0.26 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3n2a s LEU 390 Cb 0.20 -1.59 0.72 0.00 0.03 0.00 0.00 46.19 45.55 3n2a s LEU 390 CO 0.39 -0.10 1.58 1.62 0.23 0.00 0.00 176.35 180.07 3n2a h VAL 391 N 6.20 0.07 -3.29 -1.59 3.04 -1.91 -3.39 116.25 115.38 3n2a h VAL 391 Ca -0.34 -0.01 -0.19 0.00 -1.01 0.00 0.00 66.70 65.15 3n2a h VAL 391 Cb 1.10 0.04 -0.27 0.00 -2.01 0.00 0.00 31.29 30.15 3n2a h VAL 391 CO 0.57 0.01 -0.53 -0.94 -1.01 0.00 0.00 177.57 175.67 3n2a s SER 392 N -5.03 -0.18 0.05 3.17 1.04 -1.26 -5.15 113.70 106.34 3n2a s SER 392 Ca -0.13 0.35 -0.27 0.00 0.48 0.00 0.00 55.95 56.39 3n2a s SER 392 Cb 0.28 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.82 3n2a s SER 392 CO 0.78 -0.08 0.74 0.00 0.98 0.00 0.00 173.24 175.66 3n2a s ALA 393 N 0.30 -1.73 0.08 5.32 0.00 -1.26 -4.54 121.76 119.94 3n2a s ALA 393 Ca -0.02 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3n2a s ALA 393 Cb -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3n2a s ALA 393 CO -0.01 -0.66 0.12 1.03 0.00 0.00 0.00 175.76 176.24 3n2a s ARG 394 N -3.01 3.02 -0.05 0.00 0.52 -0.64 -5.02 118.95 113.77 3n2a s ARG 394 Ca 0.01 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3n2a s ARG 394 Cb -0.01 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 3n2a s ARG 394 CO -0.08 0.57 -0.05 -0.65 0.02 0.00 0.00 175.30 175.11 3n2a s GLN 395 N -2.50 2.75 0.28 3.54 -0.21 -1.26 -1.14 119.66 121.12 3n2a s GLN 395 Ca 0.31 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 55.19 3n2a s GLN 395 Cb -0.12 -2.61 -0.06 0.00 1.00 0.00 0.00 33.01 31.22 3n2a s GLN 395 CO 0.24 0.66 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.94 3n2a s PHE 396 N -0.88 1.97 0.23 0.91 0.08 0.16 -4.93 117.98 115.53 3n2a s PHE 396 Ca 0.14 -0.68 0.14 0.00 0.12 0.00 0.00 56.93 56.65 3n2a s PHE 396 Cb -0.11 -1.12 0.52 0.00 -0.57 0.00 0.00 43.02 41.74 3n2a s PHE 396 CO 0.03 0.30 1.68 0.66 -0.10 0.00 0.00 175.22 177.79 3n2a h SER 397 N 2.27 0.00 -5.09 1.36 4.64 -1.96 -3.38 113.55 111.39 3n2a h SER 397 Ca -0.40 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.02 3n2a h SER 397 Cb 1.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 3n2a h SER 397 CO 0.67 0.50 0.31 1.51 -0.87 0.00 0.00 176.83 178.95 3n2a s ASP 398 N -6.68 -0.25 0.16 4.97 1.47 -1.26 -4.58 116.67 110.50 3n2a s ASP 398 Ca -0.01 -0.51 -0.15 0.00 1.18 0.00 0.00 52.55 53.06 3n2a s ASP 398 Cb 0.12 0.65 0.05 0.00 -0.34 0.00 0.00 42.92 43.40 3n2a s ASP 398 CO 0.73 -1.19 1.82 0.58 0.68 0.00 0.00 175.17 177.78 3n2a h VAL 399 N 2.00 1.14 -0.72 2.11 2.07 -1.91 -2.02 116.25 118.92 3n2a h VAL 399 Ca -0.21 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.13 3n2a h VAL 399 Cb 1.25 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3n2a h VAL 399 CO 0.24 0.14 0.36 -0.08 0.02 0.00 0.00 177.57 178.25 3n2a h GLU 400 N 0.66 0.58 -0.48 1.57 4.81 -1.94 0.17 114.58 119.95 3n2a h GLU 400 Ca 0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3n2a h GLU 400 Cb -0.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3n2a h GLU 400 CO -0.04 0.38 0.11 1.15 -0.73 0.00 0.00 179.01 179.88 3n2a h THR 401 N 0.60 1.24 -0.30 0.32 2.02 -1.88 -0.01 112.91 114.90 3n2a h THR 401 Ca 0.36 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3n2a h THR 401 Cb 0.39 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3n2a h THR 401 CO -0.28 0.30 0.18 0.00 0.37 0.00 0.00 175.52 176.09 3n2a h ALA 402 N 0.98 0.38 -0.29 6.16 0.00 -0.83 -1.92 119.26 123.74 3n2a h ALA 402 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n2a h ALA 402 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3n2a h ALA 402 CO 0.00 -0.11 0.13 2.35 0.00 0.00 0.00 179.25 181.62 3n2a h TRP 403 N 0.38 0.44 -0.46 0.00 7.01 -0.73 -1.43 115.95 121.16 3n2a h TRP 403 Ca 0.11 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.08 3n2a h TRP 403 Cb 0.03 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3n2a h TRP 403 CO -0.04 0.42 0.31 0.00 -2.79 0.00 0.00 178.44 176.33 3n2a h ARG 404 N 0.33 0.60 -0.21 2.65 3.08 -0.87 -0.27 114.38 119.70 3n2a h ARG 404 Ca 0.10 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 3n2a h ARG 404 Cb 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3n2a h ARG 404 CO -0.01 0.40 -0.50 0.37 -1.07 0.00 0.00 179.97 179.16 3n2a h GLN 405 N 0.62 0.71 -0.67 0.04 5.75 -0.95 -1.14 115.11 119.47 3n2a h GLN 405 Ca 0.17 -0.48 0.01 0.00 -0.15 0.00 0.00 58.65 58.20 3n2a h GLN 405 Cb -0.07 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3n2a h GLN 405 CO -0.04 1.10 0.44 0.00 -2.65 0.00 0.00 178.83 177.69 3n2a h ALA 406 N 0.60 0.86 -0.61 3.38 0.00 -0.71 0.10 119.26 122.89 3n2a h ALA 406 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3n2a h ALA 406 Cb 1.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3n2a h ALA 406 CO 0.11 0.26 0.03 0.52 0.00 0.00 0.00 179.25 180.16 3n2a h MET 407 N 0.89 1.04 -0.59 0.00 2.86 -0.98 -1.32 114.93 116.84 3n2a h MET 407 Ca 0.25 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3n2a h MET 407 Cb -0.08 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 3n2a h MET 407 CO -0.06 1.00 0.12 0.37 1.06 0.00 0.00 176.91 179.40 3n2a h GLN 408 N 0.96 0.94 0.00 1.72 4.15 -0.45 -3.02 115.11 119.41 3n2a h GLN 408 Ca 0.18 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 3n2a h GLN 408 Cb 0.52 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3n2a h GLN 408 CO 0.02 0.85 -0.47 -0.44 -1.93 0.00 0.00 178.83 176.87 3n2a h ASP 409 N 0.89 0.00 -3.25 -0.69 3.32 -0.41 -3.47 116.42 112.81 3n2a h ASP 409 Ca 0.19 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.71 3n2a h ASP 409 Cb 0.36 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.93 3n2a h ASP 409 CO 0.00 0.47 0.65 0.00 -1.72 0.00 0.00 179.24 178.64 3n2a s ALA 410 N -3.58 3.51 0.71 3.45 0.00 -0.53 -5.03 121.76 120.29 3n2a s ALA 410 Ca -0.00 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3n2a s ALA 410 Cb 0.11 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.78 3n2a s ALA 410 CO 0.71 -0.52 1.08 -0.51 0.00 0.00 0.00 175.76 176.53 3n2a s ASP 411 N 0.66 5.24 0.54 0.00 1.01 -1.26 -4.89 116.67 117.98 3n2a s ASP 411 Ca 0.59 0.97 0.24 0.00 0.71 0.00 0.00 52.55 55.06 3n2a s ASP 411 Cb -0.35 -1.72 1.52 0.00 1.01 0.00 0.00 42.92 43.38 3n2a s ASP 411 CO 0.34 -1.43 2.16 0.71 0.21 0.00 0.00 175.17 177.16 3n2a h THR 412 N -0.67 0.72 -0.00 -1.27 1.35 -1.96 -1.45 112.91 109.63 3n2a h THR 412 Ca -0.45 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3n2a h THR 412 Cb 1.27 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3n2a h THR 412 CO 0.64 0.05 -0.13 0.00 -0.25 0.00 0.00 175.52 175.82 3n2a n GLN 413 N -4.02 0.27 -1.70 4.72 6.02 -1.26 -3.77 117.38 117.63 3n2a n GLN 413 Ca -0.03 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.59 3n2a n GLN 413 Cb 0.13 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.96 3n2a n GLN 413 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3n2a s ASP 414 N -2.78 5.09 -0.13 1.08 1.01 -0.55 -4.32 116.67 116.08 3n2a s ASP 414 Ca 0.20 1.29 0.02 0.00 0.71 0.00 0.00 52.55 54.77 3n2a s ASP 414 Cb 0.19 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 42.04 3n2a s ASP 414 CO 0.54 -1.58 -0.19 -0.69 0.21 0.00 0.00 175.17 173.46 3n2a s VAL 415 N -3.22 1.80 -0.23 -1.27 1.01 -0.45 -2.27 120.40 115.77 3n2a s VAL 415 Ca 0.59 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 3n2a s VAL 415 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3n2a s VAL 415 CO 0.53 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.50 3n2a s VAL 416 N 0.97 4.34 -0.16 2.92 1.01 0.12 -0.86 120.40 128.74 3n2a s VAL 416 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3n2a s VAL 416 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3n2a s VAL 416 CO -0.03 0.37 -0.16 -0.51 0.00 0.00 0.00 175.10 174.77 3n2a s ILE 417 N 1.32 2.55 -0.26 2.22 1.10 -0.05 -0.41 121.20 127.68 3n2a s ILE 417 Ca 0.05 -0.80 -0.09 0.00 -0.51 0.00 0.00 60.65 59.30 3n2a s ILE 417 Cb -0.15 -2.08 -0.04 0.00 0.15 0.00 0.00 42.46 40.34 3n2a s ILE 417 CO 0.03 0.51 0.13 -0.69 -2.11 0.00 0.00 174.94 172.82 3n2a s VAL 418 N 0.95 4.88 0.38 4.00 1.01 0.44 -0.51 120.40 131.55 3n2a s VAL 418 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 3n2a s VAL 418 Cb -0.15 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.98 3n2a s VAL 418 CO -0.03 0.31 0.68 0.00 0.00 0.00 0.00 175.10 176.07 3n2a n GLY 420 N -0.56 1.31 3.55 0.00 0.00 -0.58 -2.72 105.19 106.19 3n2a n GLY 420 Ca -0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3n2a n GLY 420 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n2a s SER 421 N -0.37 -0.30 0.39 1.61 0.15 -1.14 -4.23 113.70 109.81 3n2a s SER 421 Ca 0.00 0.12 0.14 0.00 0.70 0.00 0.00 55.95 56.91 3n2a s SER 421 Cb 0.00 0.29 0.98 0.00 -1.71 0.00 0.00 66.02 65.58 3n2a s SER 421 CO 0.00 -0.43 1.86 -0.26 1.20 0.00 0.00 173.24 175.61 3n2a h PHE 422 N 2.16 0.66 -0.42 3.44 0.04 -1.91 -2.29 116.94 118.62 3n2a h PHE 422 Ca -0.17 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.49 3n2a h PHE 422 Cb 1.20 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 3n2a h PHE 422 CO 0.27 0.20 -0.25 0.45 -0.60 0.00 0.00 178.31 178.38 3n2a h HIS 423 N 0.52 1.00 -0.12 -0.55 3.86 -1.94 -0.08 115.15 117.84 3n2a h HIS 423 Ca 0.46 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3n2a h HIS 423 Cb 0.99 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 3n2a h HIS 423 CO -0.00 1.02 0.01 1.15 0.86 0.00 0.00 177.93 180.97 3n2a h THR 424 N 0.75 1.24 -0.32 2.45 2.02 -1.70 -0.85 112.91 116.49 3n2a h THR 424 Ca 0.09 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3n2a h THR 424 Cb 0.80 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3n2a h THR 424 CO 0.07 0.22 0.19 0.58 0.37 0.00 0.00 175.52 176.95 3n2a h VAL 425 N -0.05 1.05 -0.97 3.16 2.07 -1.44 -2.73 116.25 117.34 3n2a h VAL 425 Ca 0.03 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3n2a h VAL 425 Cb 0.34 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3n2a h VAL 425 CO 0.00 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.31 3n2a h ALA 426 N 1.13 1.36 -0.95 1.67 0.00 -0.81 0.18 119.26 121.84 3n2a h ALA 426 Ca 0.12 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3n2a h ALA 426 Cb -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.36 3n2a h ALA 426 CO -0.05 0.55 0.61 0.45 0.00 0.00 0.00 179.25 180.81 3n2a h HIS 427 N 1.24 1.13 -0.06 0.00 3.86 -0.85 0.98 115.15 121.45 3n2a h HIS 427 Ca 0.38 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.39 3n2a h HIS 427 Cb -0.01 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 28.10 3n2a h HIS 427 CO -0.00 0.58 -0.91 0.28 0.86 0.00 0.00 177.93 178.73 3n2a h VAL 428 N 1.10 1.31 -0.64 2.45 2.07 -1.20 -1.48 116.25 119.86 3n2a h VAL 428 Ca 0.41 -2.18 0.02 0.00 0.82 0.00 0.00 66.70 65.78 3n2a h VAL 428 Cb 0.18 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3n2a h VAL 428 CO -0.18 0.67 0.40 0.24 0.02 0.00 0.00 177.57 178.73 3n2a h MET 429 N 0.41 0.77 -0.69 1.57 2.07 -0.02 -0.87 114.93 118.17 3n2a h MET 429 Ca -0.09 -0.05 -0.06 0.00 -2.07 0.00 0.00 59.70 57.43 3n2a h MET 429 Cb 1.55 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 31.07 3n2a h MET 429 CO 0.18 0.51 0.18 0.00 1.07 0.00 0.00 176.91 178.85 3n2a h ALA 430 N 1.27 1.01 -0.46 6.32 0.00 -0.79 0.17 119.26 126.77 3n2a h ALA 430 Ca 0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3n2a h ALA 430 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3n2a h ALA 430 CO -0.09 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.83 3n2a h ALA 431 N 1.15 1.18 -0.00 0.00 0.00 -0.76 -2.02 119.26 118.80 3n2a h ALA 431 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3n2a h ALA 431 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3n2a h ALA 431 CO -0.00 0.54 -0.22 1.28 0.00 0.00 0.00 179.25 180.85 3n2a n LEU 432 N -4.24 0.42 -3.79 0.00 4.77 -0.37 -4.93 117.00 108.86 3n2a n LEU 432 Ca 0.03 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 3n2a n LEU 432 Cb 0.27 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3n2a n LEU 432 CO 0.41 0.09 0.01 1.41 -1.33 0.00 0.00 177.39 177.98 3n2a n HIS 433 N -1.23 -2.10 1.93 -1.77 8.25 -0.08 -5.08 115.22 115.14 3n2a n HIS 433 Ca 0.10 0.87 0.16 0.00 -0.26 0.00 0.00 57.72 58.59 3n2a n HIS 433 Cb 0.32 -4.24 0.89 0.00 1.12 0.00 0.00 29.99 28.08 3n2a n HIS 433 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26