#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yas s PHE 3 N 0.00 3.10 0.29 0.00 0.08 -1.26 -4.74 117.98 115.45 2yas s PHE 3 Ca 0.00 0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.12 2yas s PHE 3 Cb 0.00 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2yas s PHE 3 CO 0.00 0.50 0.18 0.00 -0.10 0.00 0.00 175.22 175.80 2yas s ALA 4 N -1.34 1.80 -0.37 5.36 0.00 -1.26 -5.03 121.76 120.92 2yas s ALA 4 Ca 0.27 -1.81 -0.07 0.00 0.00 0.00 0.00 51.96 50.35 2yas s ALA 4 Cb -0.12 1.27 0.06 0.00 0.00 0.00 0.00 23.12 24.33 2yas s ALA 4 CO 0.20 -0.56 0.16 -1.58 0.00 0.00 0.00 175.76 173.98 2yas s HIS 5 N -3.67 3.31 -0.07 0.00 2.46 -1.26 -1.66 115.29 114.40 2yas s HIS 5 Ca 0.37 -1.53 -0.18 0.00 0.47 0.00 0.00 55.06 54.19 2yas s HIS 5 Cb 0.05 -2.57 -0.05 0.00 -0.13 0.00 0.00 32.58 29.88 2yas s HIS 5 CO 0.19 -0.79 0.50 -0.06 -2.47 0.00 0.00 174.74 172.11 2yas s PHE 6 N 1.39 3.59 -0.31 3.88 0.08 -0.36 -0.84 117.98 125.40 2yas s PHE 6 Ca 0.01 0.98 -0.03 0.00 0.12 0.00 0.00 56.93 58.01 2yas s PHE 6 Cb -0.21 -2.53 0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2yas s PHE 6 CO 0.02 0.28 0.03 0.08 -0.10 0.00 0.00 175.22 175.53 2yas s VAL 7 N 0.18 3.20 -0.16 -0.44 1.01 -0.47 -0.58 120.40 123.14 2yas s VAL 7 Ca 0.27 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2yas s VAL 7 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2yas s VAL 7 CO 0.12 -0.13 0.38 -0.76 0.00 0.00 0.00 175.10 174.72 2yas s LEU 8 N 1.29 4.23 -0.25 3.92 1.43 0.33 -1.03 118.68 128.59 2yas s LEU 8 Ca -0.04 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2yas s LEU 8 Cb -0.20 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2yas s LEU 8 CO -0.00 0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 175.94 2yas s ILE 9 N 0.76 1.53 0.95 -0.59 1.01 0.05 -3.10 121.20 121.80 2yas s ILE 9 Ca 0.20 -1.34 -0.12 0.00 0.00 0.00 0.00 60.65 59.40 2yas s ILE 9 Cb -0.14 -1.86 0.16 0.00 0.01 0.00 0.00 42.46 40.63 2yas s ILE 9 CO 0.07 -0.20 1.09 -1.38 0.00 0.00 0.00 174.94 174.52 2yas s HIS 10 N 1.37 2.21 0.68 3.97 -3.43 -1.26 -1.93 115.29 116.90 2yas s HIS 10 Ca -0.03 1.12 -0.03 0.00 -0.80 0.00 0.00 55.06 55.33 2yas s HIS 10 Cb -0.19 -3.21 0.08 0.00 -1.43 0.00 0.00 32.58 27.83 2yas s HIS 10 CO -0.08 -2.65 0.95 -0.08 -2.00 0.00 0.00 174.74 170.88 2yas s THR 11 N -2.95 2.33 0.47 -5.38 -1.32 -1.25 -4.32 115.64 103.23 2yas s THR 11 Ca 0.64 -0.49 -0.23 0.00 -1.21 0.00 0.00 61.69 60.40 2yas s THR 11 Cb -0.18 -2.84 -0.09 0.00 -1.51 0.00 0.00 72.50 67.88 2yas s THR 11 CO 0.57 0.00 1.09 2.30 -2.21 0.00 0.00 174.62 176.37 2yas n ILE 12 N -2.76 2.83 -0.92 5.08 -5.35 -1.26 -2.16 119.36 114.82 2yas n ILE 12 Ca 0.11 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2yas n ILE 12 Cb 0.60 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.21 2yas n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yas n HIS 14 N -2.36 -0.05 -3.78 0.00 8.25 -0.92 -2.06 115.22 114.30 2yas n HIS 14 Ca 0.00 -0.47 -0.09 0.00 -0.26 0.00 0.00 57.72 56.90 2yas n HIS 14 Cb 0.09 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 2yas n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yas n GLY 15 N 3.82 1.83 0.47 -1.41 0.00 -1.26 -3.36 105.19 105.28 2yas n GLY 15 Ca -0.03 -1.39 0.29 0.00 0.00 0.00 0.00 46.02 44.88 2yas n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yas h ALA 16 N 1.94 2.75 -0.67 4.61 0.00 -1.87 -2.42 119.26 123.60 2yas h ALA 16 Ca -0.23 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.87 2yas h ALA 16 Cb 0.92 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2yas h ALA 16 CO 0.30 -1.07 0.54 0.11 0.00 0.00 0.00 179.25 179.13 2yas h TRP 17 N 0.12 0.00 0.00 0.00 5.08 -1.94 0.46 115.95 119.67 2yas h TRP 17 Ca 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.48 2yas h TRP 17 Cb 1.80 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.96 2yas h TRP 17 CO -0.00 0.00 -0.02 0.97 -1.28 0.00 0.00 178.44 178.11 2yas h ILE 18 N 0.00 0.17 -0.49 0.12 6.09 -1.86 -1.57 117.51 119.97 2yas h ILE 18 Ca 0.32 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 2yas h ILE 18 Cb 1.40 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.84 2yas h ILE 18 CO -0.00 0.02 0.00 0.79 -3.07 0.00 0.00 178.15 175.89 2yas n TRP 19 N -3.28 0.92 0.31 2.19 7.02 0.15 -4.58 117.44 120.17 2yas n TRP 19 Ca -0.02 -0.39 0.19 0.00 -1.02 0.00 0.00 57.50 56.26 2yas n TRP 19 Cb 0.14 -0.11 1.03 0.00 -2.42 0.00 0.00 31.31 29.94 2yas n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2yas h HIS 20 N 2.97 0.00 0.11 -5.99 2.07 -1.42 -1.08 115.15 111.81 2yas h HIS 20 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 2yas h HIS 20 Cb 0.94 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.90 2yas h HIS 20 CO 0.47 0.02 -1.96 1.63 -3.07 0.00 0.00 177.93 175.02 2yas n LYS 21 N -3.29 0.74 -0.02 5.12 5.02 -1.26 -4.47 118.16 119.99 2yas n LYS 21 Ca -0.02 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2yas n LYS 21 Cb 0.13 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 2yas n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2yas h LEU 22 N -0.02 0.79 0.15 -0.35 5.85 -1.62 -3.21 115.31 116.90 2yas h LEU 22 Ca -0.43 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 57.84 2yas h LEU 22 Cb 1.97 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2yas h LEU 22 CO 0.06 1.23 -0.15 0.50 -0.34 0.00 0.00 178.44 179.73 2yas h LYS 23 N 0.51 -0.32 -0.34 1.25 3.64 -1.43 -0.75 116.57 119.12 2yas h LYS 23 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2yas h LYS 23 Cb 1.22 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 2yas h LYS 23 CO 0.13 -0.21 0.12 -1.00 -2.27 0.00 0.00 179.45 176.21 2yas h PRO 24 N -0.33 0.48 -0.41 1.90 0.13 -1.79 -1.53 132.00 130.44 2yas h PRO 24 Ca 0.01 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2yas h PRO 24 Cb 0.32 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 2yas h PRO 24 CO -0.05 0.41 0.03 1.25 -0.23 0.00 0.00 178.00 179.41 2yas h LEU 25 N 0.48 0.68 -1.04 1.56 5.85 -1.43 -0.75 115.31 120.67 2yas h LEU 25 Ca 0.12 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2yas h LEU 25 Cb 0.12 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2yas h LEU 25 CO -0.01 0.80 0.44 -0.07 -0.34 0.00 0.00 178.44 179.26 2yas h LEU 26 N 0.54 0.99 -1.12 2.25 3.38 -0.82 -2.39 115.31 118.15 2yas h LEU 26 Ca 0.12 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2yas h LEU 26 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2yas h LEU 26 CO 0.02 0.80 -0.18 -0.33 0.09 0.00 0.00 178.44 178.83 2yas h GLU 27 N 1.12 0.40 0.00 1.13 5.08 -0.96 -1.85 114.58 119.50 2yas h GLU 27 Ca 0.28 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2yas h GLU 27 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2yas h GLU 27 CO -0.05 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 2yas n ALA 28 N -2.48 1.73 1.21 3.43 0.00 -0.32 -1.09 120.51 122.99 2yas n ALA 28 Ca -0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2yas n ALA 28 Cb 0.34 -1.29 0.34 0.00 0.00 0.00 0.00 19.45 18.85 2yas n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yas n LEU 29 N -1.65 1.05 0.00 0.00 4.77 -0.71 -4.96 117.00 115.49 2yas n LEU 29 Ca 0.04 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2yas n LEU 29 Cb 0.20 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2yas n LEU 29 CO 0.16 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2yas n GLY 30 N 1.36 0.72 3.88 -0.72 0.00 -0.25 -4.97 105.19 105.20 2yas n GLY 30 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2yas n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yas s HIS 31 N -2.00 3.59 -0.02 1.61 3.76 -1.10 -4.78 115.29 116.35 2yas s HIS 31 Ca 0.00 1.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.92 2yas s HIS 31 Cb 0.00 -2.63 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 2yas s HIS 31 CO 0.00 -0.55 0.50 0.21 -0.85 0.00 0.00 174.74 174.05 2yas s LYS 32 N -4.94 4.18 -0.04 1.40 2.47 -0.66 -4.33 119.74 117.82 2yas s LYS 32 Ca 0.54 0.56 0.03 0.00 -1.56 0.00 0.00 55.97 55.53 2yas s LYS 32 Cb -0.11 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 32.96 2yas s LYS 32 CO 0.49 0.46 -0.11 0.08 0.16 0.00 0.00 175.35 176.43 2yas s VAL 33 N -0.40 0.95 -0.16 4.02 1.01 -1.26 -1.22 120.40 123.33 2yas s VAL 33 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2yas s VAL 33 Cb -0.17 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2yas s VAL 33 CO 0.14 0.30 -0.15 -0.89 0.00 0.00 0.00 175.10 174.50 2yas s THR 34 N 0.40 2.66 -0.31 3.92 2.01 0.26 -4.99 115.64 119.59 2yas s THR 34 Ca -0.08 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2yas s THR 34 Cb -0.12 -2.13 0.08 0.00 0.01 0.00 0.00 72.50 70.34 2yas s THR 34 CO 0.02 0.51 -0.01 0.00 -0.69 0.00 0.00 174.62 174.45 2yas s ALA 35 N 0.88 2.78 0.32 7.40 0.00 -1.26 -0.51 121.76 131.36 2yas s ALA 35 Ca -0.04 -2.09 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 2yas s ALA 35 Cb -0.15 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 2yas s ALA 35 CO -0.01 -1.43 0.77 -0.51 0.00 0.00 0.00 175.76 174.57 2yas s LEU 36 N 1.07 4.09 -0.20 0.00 1.43 -1.18 -4.81 118.68 119.08 2yas s LEU 36 Ca -0.00 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 2yas s LEU 36 Cb -0.20 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 2yas s LEU 36 CO -0.05 -0.19 0.47 -1.81 0.23 0.00 0.00 176.35 175.00 2yas s ASP 37 N -2.16 6.51 1.08 2.29 1.01 -1.26 -3.48 116.67 120.65 2yas s ASP 37 Ca 0.54 0.60 -0.18 0.00 0.71 0.00 0.00 52.55 54.22 2yas s ASP 37 Cb -0.11 -2.27 0.25 0.00 1.01 0.00 0.00 42.92 41.80 2yas s ASP 37 CO 0.17 -0.15 1.24 -0.76 0.21 0.00 0.00 175.17 175.89 2yas s LEU 38 N 1.55 1.86 0.38 1.23 1.43 -1.26 -4.77 118.68 119.10 2yas s LEU 38 Ca 0.22 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 2yas s LEU 38 Cb -0.15 -2.24 -0.11 0.00 0.03 0.00 0.00 46.19 43.72 2yas s LEU 38 CO 0.09 -3.39 1.47 0.00 0.23 0.00 0.00 176.35 174.75 2yas s ALA 39 N -3.54 3.56 -1.64 4.21 0.00 -0.78 -2.43 121.76 121.13 2yas s ALA 39 Ca 0.74 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.25 2yas s ALA 39 Cb -0.05 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2yas s ALA 39 CO 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 175.76 175.26 2yas n ALA 40 N 0.45 -0.63 -2.56 0.00 0.00 -1.26 -4.95 120.51 111.56 2yas n ALA 40 Ca 0.01 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 2yas n ALA 40 Cb 0.39 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 2yas n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2yas s SER 41 N -2.09 2.21 1.42 0.00 0.01 -1.02 -4.66 113.70 109.57 2yas s SER 41 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2yas s SER 41 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2yas s SER 41 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2yas n GLY 42 N 0.88 3.48 1.93 3.44 0.00 -1.21 -0.87 105.19 112.84 2yas n GLY 42 Ca -0.18 0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2yas n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yas n VAL 43 N 0.00 2.81 -2.02 1.61 0.24 -1.26 -4.96 118.33 114.76 2yas n VAL 43 Ca 0.00 -1.45 -0.41 0.00 -2.04 0.00 0.00 64.34 60.44 2yas n VAL 43 Cb 0.00 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 2yas n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2yas s ASP 44 N -0.82 6.65 0.00 -1.34 2.15 -0.05 -4.92 116.67 118.34 2yas s ASP 44 Ca 0.55 2.77 0.31 0.00 0.43 0.00 0.00 52.55 56.60 2yas s ASP 44 Cb 0.42 -2.65 1.69 0.00 -0.30 0.00 0.00 42.92 42.09 2yas s ASP 44 CO 0.15 -0.65 2.13 -0.81 -0.17 0.00 0.00 175.17 175.83 2yas n PRO 45 N 1.09 0.68 -2.60 4.34 -0.04 -1.26 -4.52 135.00 132.69 2yas n PRO 45 Ca 0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 2yas n PRO 45 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2yas n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2yas s ARG 46 N -2.32 3.77 0.11 0.54 0.52 -1.26 -5.02 118.95 115.29 2yas s ARG 46 Ca 0.37 0.58 0.03 0.00 -0.52 0.00 0.00 55.73 56.19 2yas s ARG 46 Cb 0.21 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2yas s ARG 46 CO 0.42 -0.18 0.17 -0.65 0.02 0.00 0.00 175.30 175.08 2yas s GLN 47 N -4.17 3.13 0.53 3.54 -1.52 -1.26 -4.04 119.66 115.88 2yas s GLN 47 Ca 0.53 -0.66 0.19 0.00 -1.95 0.00 0.00 55.36 53.47 2yas s GLN 47 Cb -0.10 -2.83 1.35 0.00 -0.22 0.00 0.00 33.01 31.21 2yas s GLN 47 CO 0.36 0.54 2.14 0.97 -0.25 0.00 0.00 175.29 179.05 2yas h ILE 48 N 2.11 0.91 0.00 1.08 6.09 -1.84 -0.93 117.51 124.93 2yas h ILE 48 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2yas h ILE 48 Cb 1.18 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2yas h ILE 48 CO 0.68 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.14 2yas n GLU 49 N -4.43 0.14 0.04 2.19 4.71 -1.26 -0.58 120.64 121.45 2yas n GLU 49 Ca -0.01 0.48 0.13 0.00 -0.01 0.00 0.00 57.16 57.75 2yas n GLU 49 Cb 0.15 -1.83 0.48 0.00 -1.01 0.00 0.00 31.44 29.23 2yas n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2yas n GLU 50 N -2.10 0.12 -4.01 3.49 1.02 -0.35 -4.82 120.64 113.99 2yas n GLU 50 Ca 0.01 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 2yas n GLU 50 Cb 0.14 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 2yas n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2yas s ILE 51 N -3.05 4.84 -1.45 -3.67 -1.09 0.25 -5.01 121.20 112.01 2yas s ILE 51 Ca 0.12 -0.02 0.12 0.00 -2.23 0.00 0.00 60.65 58.64 2yas s ILE 51 Cb 0.16 -3.17 0.08 0.00 -1.58 0.00 0.00 42.46 37.95 2yas s ILE 51 CO 0.58 0.48 0.86 0.61 -1.23 0.00 0.00 174.94 176.24 2yas n GLY 52 N 3.33 -0.22 3.62 6.18 0.00 -1.26 -4.92 105.19 111.91 2yas n GLY 52 Ca -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 2yas n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yas s SER 53 N -1.07 -0.21 0.43 1.61 1.04 -1.26 -4.99 113.70 109.25 2yas s SER 53 Ca 0.14 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.51 2yas s SER 53 Cb 0.10 0.34 0.93 0.00 0.10 0.00 0.00 66.02 67.48 2yas s SER 53 CO 0.17 -0.59 2.03 0.15 0.98 0.00 0.00 173.24 175.98 2yas h PHE 54 N 2.00 0.30 -0.30 5.02 3.04 -1.90 -0.90 116.94 124.20 2yas h PHE 54 Ca -0.22 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.68 2yas h PHE 54 Cb 1.22 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 2yas h PHE 54 CO 0.31 0.27 0.03 -0.44 -2.02 0.00 0.00 178.31 176.46 2yas h ASP 55 N 0.30 0.50 -0.64 0.41 5.19 -1.97 -1.60 116.42 118.61 2yas h ASP 55 Ca 0.08 -0.28 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 2yas h ASP 55 Cb 0.11 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 2yas h ASP 55 CO -0.00 0.66 0.18 -0.08 -3.12 0.00 0.00 179.24 176.87 2yas h GLU 56 N 0.32 1.02 -0.77 3.56 4.81 -1.91 -2.12 114.58 119.49 2yas h GLU 56 Ca 0.09 -0.23 0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2yas h GLU 56 Cb 0.39 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2yas h GLU 56 CO 0.01 0.91 0.50 -0.92 -0.73 0.00 0.00 179.01 178.78 2yas h TYR 57 N 0.94 0.65 -0.03 0.92 3.20 -1.00 -1.88 116.97 119.78 2yas h TYR 57 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2yas h TYR 57 Cb 0.33 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2yas h TYR 57 CO 0.02 0.28 0.00 0.43 -1.64 0.00 0.00 178.16 177.25 2yas n SER 58 N -4.50 0.36 -0.12 -2.11 7.64 -0.62 -1.87 113.62 112.40 2yas n SER 58 Ca 0.14 -1.38 -0.05 0.00 1.01 0.00 0.00 58.87 58.59 2yas n SER 58 Cb 0.41 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2yas n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2yas h GLU 59 N 0.51 -0.04 -0.08 1.43 4.22 -1.29 -1.61 114.58 117.72 2yas h GLU 59 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.47 2yas h GLU 59 Cb 0.11 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2yas h GLU 59 CO 0.00 -0.03 0.06 -1.35 -2.18 0.00 0.00 179.01 175.51 2yas h PRO 60 N -0.04 0.00 -0.16 0.92 0.11 -1.85 0.18 132.00 131.16 2yas h PRO 60 Ca 0.20 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 2yas h PRO 60 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2yas h PRO 60 CO -0.44 0.00 -0.20 1.25 -0.21 0.00 0.00 178.00 178.40 2yas h LEU 61 N 0.00 0.45 -0.69 2.35 5.85 -1.65 -1.43 115.31 120.18 2yas h LEU 61 Ca 0.04 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2yas h LEU 61 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2yas h LEU 61 CO -0.00 0.86 0.35 -0.07 -0.34 0.00 0.00 178.44 179.23 2yas h LEU 62 N 0.04 0.90 -0.62 2.25 3.38 -0.84 -0.78 115.31 119.63 2yas h LEU 62 Ca 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2yas h LEU 62 Cb 0.75 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2yas h LEU 62 CO 0.05 0.77 0.32 0.74 0.09 0.00 0.00 178.44 180.40 2yas h THR 63 N 0.96 1.21 -0.38 0.22 2.02 -0.69 -0.71 112.91 115.54 2yas h THR 63 Ca 0.24 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.89 2yas h THR 63 Cb 0.10 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2yas h THR 63 CO -0.03 0.24 0.17 0.15 0.37 0.00 0.00 175.52 176.41 2yas h PHE 64 N 0.85 0.31 -0.36 3.16 3.57 -0.97 -2.51 116.94 120.99 2yas h PHE 64 Ca 0.22 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 2yas h PHE 64 Cb 0.09 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2yas h PHE 64 CO -0.00 0.15 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.00 2yas h LEU 65 N 0.35 0.64 -1.39 0.59 3.38 -0.78 -2.41 115.31 115.69 2yas h LEU 65 Ca 0.17 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2yas h LEU 65 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2yas h LEU 65 CO -0.14 0.82 0.45 -0.08 0.09 0.00 0.00 178.44 179.57 2yas h GLU 66 N 0.58 0.76 0.00 1.13 4.81 -0.83 -2.41 114.58 118.63 2yas h GLU 66 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2yas h GLU 66 Cb 0.61 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2yas h GLU 66 CO 0.04 0.50 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2yas n ALA 67 N -2.45 2.25 -2.27 2.92 0.00 -0.92 -4.80 120.51 115.25 2yas n ALA 67 Ca 0.09 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2yas n ALA 67 Cb 0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2yas n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yas s LEU 68 N -2.87 4.31 0.79 0.00 1.43 -0.91 -5.00 118.68 116.43 2yas s LEU 68 Ca 0.16 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 2yas s LEU 68 Cb 0.17 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.91 2yas s LEU 68 CO 0.46 -0.69 1.20 -2.84 0.23 0.00 0.00 176.35 174.71 2yas s PRO 69 N 2.29 1.73 0.29 1.29 0.02 -1.26 -4.88 135.00 134.47 2yas s PRO 69 Ca 0.62 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 2yas s PRO 69 Cb -0.30 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 2yas s PRO 69 CO 0.26 -2.13 1.33 -2.30 -0.33 0.00 0.00 177.00 173.82 2yas n PRO 70 N -3.24 2.02 0.00 5.54 -0.02 -1.26 -2.24 135.00 135.81 2yas n PRO 70 Ca 0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2yas n PRO 70 Cb 0.51 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2yas n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yas n GLY 71 N 1.49 2.12 3.69 -1.23 0.00 -1.26 -5.04 105.19 104.97 2yas n GLY 71 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2yas n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yas s GLU 72 N -0.75 4.36 0.18 1.61 2.02 -0.95 -5.05 118.70 120.13 2yas s GLU 72 Ca 0.00 0.89 0.09 0.00 0.02 0.00 0.00 54.97 55.97 2yas s GLU 72 Cb 0.00 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 2yas s GLU 72 CO 0.00 -0.10 -0.11 0.15 0.02 0.00 0.00 175.26 175.22 2yas s LYS 73 N 1.36 1.99 0.23 1.61 1.02 -1.26 -4.72 119.74 119.96 2yas s LYS 73 Ca 0.37 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 55.13 2yas s LYS 73 Cb -0.17 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2yas s LYS 73 CO 0.16 0.43 -0.13 0.14 -0.92 0.00 0.00 175.35 175.02 2yas s VAL 74 N -1.71 1.79 -0.28 3.17 -7.23 -0.08 -4.55 120.40 111.51 2yas s VAL 74 Ca 0.24 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 2yas s VAL 74 Cb -0.09 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 2yas s VAL 74 CO 0.14 -0.51 0.07 -0.63 -0.31 0.00 0.00 175.10 173.87 2yas s ILE 75 N -2.94 4.07 0.18 -0.62 1.01 -0.02 -0.98 121.20 121.90 2yas s ILE 75 Ca 0.25 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 2yas s ILE 75 Cb -0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2yas s ILE 75 CO 0.09 0.18 0.94 -0.76 0.00 0.00 0.00 174.94 175.39 2yas s LEU 76 N 1.54 4.58 -0.19 2.97 1.43 -0.61 -1.37 118.68 127.02 2yas s LEU 76 Ca 0.04 1.87 -0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2yas s LEU 76 Cb -0.16 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.51 2yas s LEU 76 CO 0.03 0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.91 2yas s VAL 77 N -0.64 1.29 -0.08 -1.59 1.01 -0.20 -0.40 120.40 119.80 2yas s VAL 77 Ca 0.44 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2yas s VAL 77 Cb -0.25 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2yas s VAL 77 CO 0.31 0.06 -0.23 -0.83 0.00 0.00 0.00 175.10 174.42 2yas s GLY 78 N 1.54 1.35 -0.05 4.51 0.00 -0.19 -0.77 107.32 113.71 2yas s GLY 78 Ca -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 2yas s GLY 78 CO -0.07 -0.51 0.05 -1.83 0.00 0.00 0.00 173.10 170.74 2yas s GLU 79 N 0.01 3.05 5.03 2.90 -1.05 -0.81 -0.88 118.70 126.95 2yas s GLU 79 Ca -0.08 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2yas s GLU 79 Cb -0.15 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2yas s GLU 79 CO 0.05 0.68 0.00 0.45 0.95 0.00 0.00 175.26 177.40 2yas n SER 80 N 1.68 0.00 0.03 0.83 2.88 -0.76 -0.79 113.62 117.49 2yas n SER 80 Ca -0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.48 2yas n SER 80 Cb 0.53 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.44 2yas n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yas h GLY 82 N 3.43 0.00 1.06 0.00 0.00 -1.15 -2.16 103.07 104.25 2yas h GLY 82 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2yas h GLY 82 CO 0.00 0.00 0.40 -1.33 0.00 0.00 0.00 176.54 175.61 2yas h GLY 83 N 0.00 0.59 1.14 4.60 0.00 -1.73 -1.64 103.07 106.03 2yas h GLY 83 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 2yas h GLY 83 CO -0.00 0.11 -0.19 1.41 0.00 0.00 0.00 176.54 177.86 2yas h LEU 84 N 0.42 1.00 -1.14 3.11 3.38 -1.63 -2.15 115.31 118.30 2yas h LEU 84 Ca 0.27 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2yas h LEU 84 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2yas h LEU 84 CO -0.08 1.16 0.10 0.78 0.09 0.00 0.00 178.44 180.49 2yas h ASN 85 N 0.85 0.66 0.11 -0.43 4.21 -1.47 -1.87 115.58 117.64 2yas h ASN 85 Ca 0.12 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 2yas h ASN 85 Cb 0.76 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2yas h ASN 85 CO 0.06 0.66 -0.06 0.40 -1.29 0.00 0.00 177.43 177.21 2yas h ILE 86 N 0.68 0.89 -0.60 2.81 2.04 -1.02 -0.60 117.51 121.71 2yas h ILE 86 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 2yas h ILE 86 Cb 0.28 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2yas h ILE 86 CO -0.00 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.50 2yas h ALA 87 N 0.73 0.78 -0.22 1.87 0.00 -1.26 -0.06 119.26 121.11 2yas h ALA 87 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yas h ALA 87 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2yas h ALA 87 CO 0.02 0.07 0.14 0.82 0.00 0.00 0.00 179.25 180.30 2yas h ILE 88 N 0.69 1.08 -0.95 0.00 2.04 -1.27 -2.52 117.51 116.57 2yas h ILE 88 Ca 0.25 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2yas h ILE 88 Cb 0.06 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 2yas h ILE 88 CO -0.12 0.08 0.62 0.00 0.00 0.00 0.00 178.15 178.73 2yas h ALA 89 N 1.05 1.26 0.00 1.87 0.00 -0.72 -2.98 119.26 119.73 2yas h ALA 89 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2yas h ALA 89 Cb 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2yas h ALA 89 CO -0.02 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.60 2yas h ALA 90 N 1.39 1.00 -0.00 0.00 0.00 -0.83 0.34 119.26 121.15 2yas h ALA 90 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2yas h ALA 90 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2yas h ALA 90 CO -0.12 0.18 -0.00 -0.25 0.00 0.00 0.00 179.25 179.06 2yas n ASP 91 N -3.26 0.07 -0.01 0.00 8.00 -0.97 -2.73 116.55 117.65 2yas n ASP 91 Ca 0.01 -0.94 -0.02 0.00 0.71 0.00 0.00 54.79 54.55 2yas n ASP 91 Cb 0.42 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 2yas n ASP 91 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2yas n LYS 92 N -0.98 3.08 -2.36 -1.24 3.00 -0.68 -4.88 118.16 114.10 2yas n LYS 92 Ca 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.52 2yas n LYS 92 Cb 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 35.03 34.14 2yas n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2yas n TYR 93 N -2.17 1.17 -0.31 5.64 4.01 0.02 -4.90 117.16 120.62 2yas n TYR 93 Ca -0.05 -1.80 0.16 0.00 -0.16 0.00 0.00 57.90 56.05 2yas n TYR 93 Cb 0.59 -0.23 0.41 0.00 -0.31 0.00 0.00 39.34 39.80 2yas n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2yas n GLU 95 N -4.65 0.18 -0.24 0.00 0.00 -1.26 -2.17 120.64 112.49 2yas n GLU 95 Ca 0.22 0.41 0.12 0.00 0.00 0.00 0.00 57.16 57.91 2yas n GLU 95 Cb 0.65 -1.84 0.24 0.00 0.00 0.00 0.00 31.44 30.49 2yas n GLU 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yas n LYS 96 N -2.19 2.57 -3.84 3.44 5.02 -0.26 -4.88 118.16 118.02 2yas n LYS 96 Ca 0.02 -2.40 -0.36 0.00 -2.02 0.00 0.00 58.31 53.56 2yas n LYS 96 Cb 0.23 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 2yas n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2yas s ILE 97 N -1.33 3.34 0.17 -0.18 1.01 -0.92 -0.91 121.20 122.37 2yas s ILE 97 Ca 0.41 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2yas s ILE 97 Cb 0.23 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2yas s ILE 97 CO 0.32 -0.15 1.54 0.00 0.00 0.00 0.00 174.94 176.65 2yas h ALA 98 N 8.09 0.69 -1.82 9.38 0.00 -1.35 -3.47 119.26 130.79 2yas h ALA 98 Ca -0.22 -0.42 0.23 0.00 0.00 0.00 0.00 54.91 54.50 2yas h ALA 98 Cb 1.07 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2yas h ALA 98 CO 0.57 0.67 0.68 0.00 0.00 0.00 0.00 179.25 181.16 2yas s ALA 99 N -4.52 -1.98 -0.09 0.00 0.00 -1.25 -4.56 121.76 109.37 2yas s ALA 99 Ca -0.10 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.81 2yas s ALA 99 Cb 0.12 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2yas s ALA 99 CO 0.87 -0.83 -0.19 0.00 0.00 0.00 0.00 175.76 175.61 2yas s ALA 100 N -2.75 1.81 -0.18 0.00 0.00 0.01 -1.58 121.76 119.07 2yas s ALA 100 Ca 0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2yas s ALA 100 Cb 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2yas s ALA 100 CO -0.04 0.15 -0.01 0.08 0.00 0.00 0.00 175.76 175.94 2yas s VAL 101 N 0.59 4.05 -0.23 0.00 1.01 0.47 -0.82 120.40 125.47 2yas s VAL 101 Ca -0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2yas s VAL 101 Cb -0.17 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2yas s VAL 101 CO 0.05 0.46 0.12 -0.36 0.00 0.00 0.00 175.10 175.36 2yas s PHE 102 N 0.66 3.24 -0.36 5.22 0.40 -0.01 -1.02 117.98 126.11 2yas s PHE 102 Ca -0.01 0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2yas s PHE 102 Cb -0.14 -2.22 0.10 0.00 0.51 0.00 0.00 43.02 41.27 2yas s PHE 102 CO 0.02 -0.01 0.09 -1.58 0.70 0.00 0.00 175.22 174.44 2yas s HIS 103 N 1.04 3.72 -1.28 0.36 2.46 -0.06 0.21 115.29 121.75 2yas s HIS 103 Ca 0.06 -2.88 -0.05 0.00 0.47 0.00 0.00 55.06 52.65 2yas s HIS 103 Cb -0.14 -2.99 0.01 0.00 -0.13 0.00 0.00 32.58 29.33 2yas s HIS 103 CO 0.04 -0.95 0.10 0.09 -2.47 0.00 0.00 174.74 171.55 2yas n ASN 104 N 4.31 0.08 -4.49 9.88 3.02 -0.24 -1.83 115.26 125.98 2yas n ASN 104 Ca 0.03 -1.11 -0.27 0.00 -0.03 0.00 0.00 54.58 53.20 2yas n ASN 104 Cb 0.42 -1.36 -0.11 0.00 -0.61 0.00 0.00 39.78 38.11 2yas n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2yas s SER 105 N -4.12 3.81 0.36 6.41 0.15 -1.26 -2.42 113.70 116.63 2yas s SER 105 Ca 0.07 -0.70 -0.27 0.00 0.70 0.00 0.00 55.95 55.75 2yas s SER 105 Cb -0.04 -0.48 -0.12 0.00 -1.71 0.00 0.00 66.02 63.68 2yas s SER 105 CO 0.86 0.13 1.27 1.33 1.20 0.00 0.00 173.24 178.03 2yas n VAL 106 N 0.31 2.12 -3.81 4.45 0.24 0.38 -4.90 118.33 117.12 2yas n VAL 106 Ca -0.13 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.38 2yas n VAL 106 Cb 0.55 -1.55 -0.13 0.00 -1.47 0.00 0.00 33.84 31.24 2yas n VAL 106 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2yas s LEU 107 N -1.11 3.70 0.88 1.34 2.96 -1.26 -4.18 118.68 121.00 2yas s LEU 107 Ca 0.57 -3.13 -0.11 0.00 -0.22 0.00 0.00 54.13 51.24 2yas s LEU 107 Cb -0.56 -1.35 0.12 0.00 0.50 0.00 0.00 46.19 44.91 2yas s LEU 107 CO 0.61 -0.20 1.11 -2.84 -1.32 0.00 0.00 176.35 173.72 2yas s PRO 108 N -0.38 1.34 0.01 0.98 0.02 -1.26 -4.91 135.00 130.80 2yas s PRO 108 Ca 0.21 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2yas s PRO 108 Cb -0.17 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 2yas s PRO 108 CO -0.06 -2.32 0.00 -0.40 -0.33 0.00 0.00 177.00 173.90 2yas n ASP 109 N -3.99 1.44 -0.15 2.53 5.68 -1.26 -5.04 116.55 115.75 2yas n ASP 109 Ca 0.10 -1.06 0.03 0.00 -0.50 0.00 0.00 54.79 53.36 2yas n ASP 109 Cb 0.53 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2yas n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2yas n THR 110 N -0.03 0.00 0.09 2.12 -2.24 -1.26 -4.43 114.28 108.53 2yas n THR 110 Ca -0.00 -0.43 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2yas n THR 110 Cb 0.02 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 2yas n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yas n GLU 111 N -0.30 0.60 -4.54 -0.78 -0.58 -1.26 -4.79 120.64 108.99 2yas n GLU 111 Ca 0.03 -0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2yas n GLU 111 Cb 0.14 -1.67 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 2yas n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2yas s HIS 112 N -3.42 2.37 0.85 -0.32 3.76 -1.26 -5.12 115.29 112.15 2yas s HIS 112 Ca -0.04 -0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 54.22 2yas s HIS 112 Cb 0.12 -1.40 0.11 0.00 1.11 0.00 0.00 32.58 32.52 2yas s HIS 112 CO 0.84 0.54 1.16 0.00 -0.85 0.00 0.00 174.74 176.43 2yas h PRO 114 N -1.41 0.00 -0.00 0.00 0.11 -1.82 -1.31 132.00 127.57 2yas h PRO 114 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2yas h PRO 114 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2yas h PRO 114 CO 0.45 0.00 -0.27 -1.13 -0.21 0.00 0.00 178.00 176.83 2yas n SER 115 N -2.84 0.35 -0.17 -2.05 3.41 -1.26 -4.53 113.62 106.53 2yas n SER 115 Ca -0.02 -0.06 -0.04 0.00 -0.26 0.00 0.00 58.87 58.49 2yas n SER 115 Cb 0.09 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2yas n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2yas h TYR 116 N 0.12 -0.58 0.00 7.33 3.20 -1.57 0.15 116.97 125.62 2yas h TYR 116 Ca 0.00 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 2yas h TYR 116 Cb 0.48 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2yas h TYR 116 CO 0.00 -0.31 -0.49 -0.39 -1.64 0.00 0.00 178.16 175.32 2yas h VAL 117 N -0.10 0.88 -0.41 1.81 -1.51 -1.82 -2.32 116.25 112.77 2yas h VAL 117 Ca 0.25 -2.15 -0.09 0.00 -1.23 0.00 0.00 66.70 63.47 2yas h VAL 117 Cb 0.49 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 2yas h VAL 117 CO -0.60 0.48 -0.11 0.58 -1.23 0.00 0.00 177.57 176.69 2yas h VAL 118 N 0.00 1.28 -0.85 7.19 2.07 -1.61 -0.63 116.25 123.70 2yas h VAL 118 Ca -0.00 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.35 2yas h VAL 118 Cb 1.33 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2yas h VAL 118 CO 0.06 0.40 0.54 0.44 0.02 0.00 0.00 177.57 179.04 2yas h ASP 119 N 0.61 0.90 -0.44 0.57 3.32 -0.63 -1.80 116.42 118.95 2yas h ASP 119 Ca 0.10 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2yas h ASP 119 Cb 0.64 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2yas h ASP 119 CO 0.04 0.61 -0.14 0.50 -1.72 0.00 0.00 179.24 178.53 2yas h LYS 120 N 1.05 0.93 -0.91 3.56 1.63 -1.28 -2.68 116.57 118.86 2yas h LYS 120 Ca 0.34 -0.35 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 2yas h LYS 120 Cb 0.02 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 2yas h LYS 120 CO -0.12 1.00 0.56 1.25 -3.45 0.00 0.00 179.45 178.70 2yas h LEU 121 N 0.82 0.88 -1.04 5.20 5.85 -0.52 -1.54 115.31 124.95 2yas h LEU 121 Ca 0.12 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2yas h LEU 121 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2yas h LEU 121 CO 0.05 0.54 -0.44 0.24 -0.34 0.00 0.00 178.44 178.50 2yas h MET 122 N 1.00 0.00 -0.15 1.25 2.86 -1.14 0.73 114.93 119.49 2yas h MET 122 Ca 0.41 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.02 2yas h MET 122 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2yas h MET 122 CO -0.19 0.44 -0.01 0.93 1.06 0.00 0.00 176.91 179.14 2yas h GLU 123 N 0.00 0.27 -0.04 1.72 5.08 -1.02 -2.90 114.58 117.68 2yas h GLU 123 Ca -0.00 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 2yas h GLU 123 Cb 0.85 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2yas h GLU 123 CO 0.06 0.51 -0.70 0.28 -1.00 0.00 0.00 179.01 178.16 2yas h VAL 124 N -0.01 1.43 -2.39 3.13 2.07 -0.87 -3.38 116.25 116.22 2yas h VAL 124 Ca 0.04 -2.20 -0.59 0.00 0.82 0.00 0.00 66.70 64.77 2yas h VAL 124 Cb 0.40 2.16 -0.40 0.00 -1.52 0.00 0.00 31.29 31.93 2yas h VAL 124 CO 0.01 0.65 -0.86 0.33 0.02 0.00 0.00 177.57 177.71 2yas n PHE 125 N -3.80 0.84 0.30 1.57 7.35 0.21 -4.97 117.46 118.97 2yas n PHE 125 Ca -0.03 -3.72 0.12 0.00 -0.76 0.00 0.00 57.45 53.06 2yas n PHE 125 Cb 0.68 -0.22 0.16 0.00 0.35 0.00 0.00 39.48 40.46 2yas n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2yas h PRO 126 N 4.91 0.00 -4.16 -7.13 0.13 -1.69 -3.42 132.00 120.65 2yas h PRO 126 Ca 0.18 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.57 2yas h PRO 126 Cb 0.83 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.68 2yas h PRO 126 CO 0.54 0.00 -0.30 0.34 -0.23 0.00 0.00 178.00 178.36 2yas s ASP 127 N -5.44 5.91 -0.15 1.44 -1.08 -1.26 -4.93 116.67 111.17 2yas s ASP 127 Ca 0.06 -2.00 0.06 0.00 -0.52 0.00 0.00 52.55 50.15 2yas s ASP 127 Cb 0.09 -2.08 0.42 0.00 -1.46 0.00 0.00 42.92 39.88 2yas s ASP 127 CO 0.70 -0.72 1.22 0.79 0.52 0.00 0.00 175.17 177.68 2yas n TRP 128 N 4.85 1.19 0.00 -5.34 7.02 -1.26 -5.00 117.44 118.90 2yas n TRP 128 Ca -0.07 -0.53 0.00 0.00 -1.02 0.00 0.00 57.50 55.88 2yas n TRP 128 Cb 0.41 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 2yas n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2yas n LYS 129 N 0.20 0.00 -0.28 -0.99 5.02 -1.26 -2.04 118.16 118.82 2yas n LYS 129 Ca 0.18 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 2yas n LYS 129 Cb 0.82 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 36.02 2yas n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2yas n ASP 130 N 8.57 2.52 -4.76 4.39 5.75 -1.26 -4.90 116.55 126.86 2yas n ASP 130 Ca 0.00 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.24 2yas n ASP 130 Cb 0.00 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 2yas n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2yas s THR 131 N -1.59 2.12 0.19 2.12 2.01 -0.86 -4.17 115.64 115.45 2yas s THR 131 Ca 0.28 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.44 2yas s THR 131 Cb 0.16 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2yas s THR 131 CO 0.16 0.02 0.10 0.42 -0.69 0.00 0.00 174.62 174.63 2yas s THR 132 N -0.23 4.19 0.08 -0.82 -4.23 -0.85 -4.86 115.64 108.93 2yas s THR 132 Ca 0.61 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2yas s THR 132 Cb -0.47 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2yas s THR 132 CO 0.50 -0.17 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.95 2yas s TYR 133 N -1.86 1.31 0.23 3.99 2.02 -1.26 -1.15 117.35 120.64 2yas s TYR 133 Ca 0.30 -0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 2yas s TYR 133 Cb -0.09 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 2yas s TYR 133 CO 0.22 0.09 0.34 -0.59 -1.57 0.00 0.00 175.55 174.03 2yas s PHE 134 N -1.42 0.73 0.03 2.71 -0.71 -0.49 -4.99 117.98 113.85 2yas s PHE 134 Ca 0.01 -1.03 0.05 0.00 -1.04 0.00 0.00 56.93 54.92 2yas s PHE 134 Cb -0.09 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.56 2yas s PHE 134 CO 0.03 -0.86 -0.16 0.95 -1.34 0.00 0.00 175.22 173.84 2yas s THR 135 N -4.02 1.27 0.11 -4.49 -4.23 -1.26 -0.55 115.64 102.47 2yas s THR 135 Ca 0.30 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 2yas s THR 135 Cb 0.02 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 2yas s THR 135 CO 0.11 0.14 0.05 -0.72 -0.54 0.00 0.00 174.62 173.66 2yas s TYR 136 N -0.71 0.71 -0.14 3.99 1.13 -0.45 -4.95 117.35 116.93 2yas s TYR 136 Ca 0.04 -1.14 -0.02 0.00 -1.41 0.00 0.00 57.07 54.54 2yas s TYR 136 Cb -0.08 -0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 2yas s TYR 136 CO 0.01 -0.49 -0.06 0.99 -2.51 0.00 0.00 175.55 173.49 2yas s THR 137 N -4.00 3.68 -0.04 -3.49 2.01 -1.26 -0.36 115.64 112.17 2yas s THR 137 Ca 0.18 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 2yas s THR 137 Cb 0.07 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2yas s THR 137 CO -0.02 0.51 0.08 -0.75 -0.69 0.00 0.00 174.62 173.75 2yas s LYS 138 N 0.24 0.00 -1.51 4.92 2.47 -0.61 -4.87 119.74 120.39 2yas s LYS 138 Ca -0.04 0.30 -0.09 0.00 -1.56 0.00 0.00 55.97 54.57 2yas s LYS 138 Cb -0.14 -0.26 0.07 0.00 -1.46 0.00 0.00 37.83 36.04 2yas s LYS 138 CO 0.03 -0.20 0.73 -0.25 0.16 0.00 0.00 175.35 175.83 2yas n ASP 139 N 4.39 -2.59 0.00 1.43 8.00 -1.26 -1.91 116.55 124.61 2yas n ASP 139 Ca -0.23 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2yas n ASP 139 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 2yas n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yas n GLY 140 N -1.68 0.70 3.54 0.44 0.00 -1.26 -5.01 105.19 101.92 2yas n GLY 140 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2yas n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yas s LYS 141 N -0.17 2.32 -0.23 1.61 -0.14 -0.80 -5.09 119.74 117.24 2yas s LYS 141 Ca 0.00 -0.85 -0.23 0.00 -1.36 0.00 0.00 55.97 53.52 2yas s LYS 141 Cb 0.00 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.78 2yas s LYS 141 CO 0.00 0.57 0.76 -2.00 -0.76 0.00 0.00 175.35 173.92 2yas s GLU 142 N -1.50 4.18 -0.07 1.68 2.12 -1.26 -1.57 118.70 122.27 2yas s GLU 142 Ca 0.17 0.82 0.02 0.00 0.36 0.00 0.00 54.97 56.33 2yas s GLU 142 Cb -0.11 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2yas s GLU 142 CO 0.07 -0.45 -0.10 0.42 -0.54 0.00 0.00 175.26 174.67 2yas s ILE 143 N 2.61 3.46 -0.31 -3.70 1.01 0.51 -4.96 121.20 119.82 2yas s ILE 143 Ca 0.32 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 2yas s ILE 143 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 2yas s ILE 143 CO 0.08 0.59 0.60 -0.89 0.00 0.00 0.00 174.94 175.32 2yas s THR 144 N -0.67 4.96 0.31 2.92 2.01 -1.26 -1.35 115.64 122.57 2yas s THR 144 Ca 0.10 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.88 2yas s THR 144 Cb -0.11 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2yas s THR 144 CO 0.01 -0.13 0.49 -0.83 -0.69 0.00 0.00 174.62 173.47 2yas s GLY 145 N 1.66 1.30 0.05 4.40 0.00 0.29 -4.44 107.32 110.57 2yas s GLY 145 Ca 0.24 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 2yas s GLY 145 CO 0.12 -0.97 0.11 0.48 0.00 0.00 0.00 173.10 172.83 2yas s LEU 146 N -4.21 1.77 -0.18 0.66 2.34 -0.19 -1.40 118.68 117.48 2yas s LEU 146 Ca 0.38 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.99 2yas s LEU 146 Cb -0.09 0.66 0.04 0.00 -0.56 0.00 0.00 46.19 46.24 2yas s LEU 146 CO 0.34 -0.56 -0.08 -0.75 -1.06 0.00 0.00 176.35 174.24 2yas s LYS 147 N -2.94 1.74 0.20 1.48 2.20 -0.30 -1.25 119.74 120.86 2yas s LYS 147 Ca -0.02 -0.66 -0.33 0.00 -0.36 0.00 0.00 55.97 54.60 2yas s LYS 147 Cb 0.01 -2.19 -0.13 0.00 -1.51 0.00 0.00 37.83 34.01 2yas s LYS 147 CO -0.06 -0.42 1.60 1.28 -0.36 0.00 0.00 175.35 177.39 2yas n LEU 148 N 4.79 3.49 -4.81 5.43 4.77 -1.26 -2.01 117.00 127.40 2yas n LEU 148 Ca -0.13 1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 56.60 2yas n LEU 148 Cb 0.47 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2yas n LEU 148 CO 0.18 -0.13 0.67 -0.83 -1.33 0.00 0.00 177.39 175.96 2yas s GLY 149 N 0.86 2.44 0.30 -0.72 0.00 -1.26 -4.84 107.32 104.11 2yas s GLY 149 Ca 0.75 0.48 0.01 0.00 0.00 0.00 0.00 44.72 45.95 2yas s GLY 149 CO 0.39 0.77 1.85 0.74 0.00 0.00 0.00 173.10 176.85 2yas h PHE 150 N 1.81 0.73 -0.28 1.90 0.04 -1.92 0.17 116.94 119.39 2yas h PHE 150 Ca -0.49 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.17 2yas h PHE 150 Cb 1.19 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2yas h PHE 150 CO 0.60 0.64 0.03 1.15 -0.60 0.00 0.00 178.31 180.13 2yas h THR 151 N 0.69 1.24 -0.33 -1.55 2.02 -1.93 -0.51 112.91 112.54 2yas h THR 151 Ca 0.15 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.52 2yas h THR 151 Cb 0.30 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2yas h THR 151 CO 0.00 0.27 0.14 0.25 0.37 0.00 0.00 175.52 176.55 2yas h LEU 152 N 0.28 0.18 -0.37 2.58 5.85 -1.76 -0.52 115.31 121.54 2yas h LEU 152 Ca 0.08 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2yas h LEU 152 Cb 0.37 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2yas h LEU 152 CO 0.01 0.14 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.16 2yas h LEU 153 N 0.29 -0.19 -0.47 2.25 3.38 -0.48 -0.84 115.31 119.25 2yas h LEU 153 Ca 0.14 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2yas h LEU 153 Cb 0.09 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2yas h LEU 153 CO -0.13 -0.06 0.15 -0.09 0.09 0.00 0.00 178.44 178.40 2yas h ARG 154 N 0.08 0.73 0.05 1.13 9.65 -0.51 -0.44 114.38 125.07 2yas h ARG 154 Ca 0.18 -0.16 -0.33 0.00 -1.10 0.00 0.00 59.98 58.57 2yas h ARG 154 Cb 0.26 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2yas h ARG 154 CO -0.32 0.70 -1.91 0.39 2.80 0.00 0.00 179.97 181.63 2yas n GLU 155 N -4.53 0.68 -0.04 0.20 1.02 -0.25 -3.15 120.64 114.57 2yas n GLU 155 Ca 0.01 0.25 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 2yas n GLU 155 Cb 0.19 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 2yas n GLU 155 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2yas n ASN 156 N -3.19 2.95 -0.13 1.62 4.13 -0.34 -4.35 115.26 115.95 2yas n ASN 156 Ca -0.25 -0.01 -0.19 0.00 1.68 0.00 0.00 54.58 55.81 2yas n ASN 156 Cb 1.06 0.59 -0.12 0.00 -1.54 0.00 0.00 39.78 39.76 2yas n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yas n LEU 157 N -2.38 2.91 -1.16 3.41 4.32 -1.11 -3.72 117.00 119.27 2yas n LEU 157 Ca -0.14 -0.10 -0.05 0.00 -0.02 0.00 0.00 56.01 55.69 2yas n LEU 157 Cb 0.76 -0.91 0.18 0.00 -1.62 0.00 0.00 43.42 41.84 2yas n LEU 157 CO 0.17 0.91 0.60 -1.22 -1.22 0.00 0.00 177.39 176.63 2yas n TYR 158 N -3.33 1.07 -0.35 -1.77 4.02 -0.19 -3.34 117.16 113.27 2yas n TYR 158 Ca -0.46 -1.69 0.10 0.00 -0.01 0.00 0.00 57.90 55.83 2yas n TYR 158 Cb 0.98 -0.46 0.20 0.00 -0.02 0.00 0.00 39.34 40.04 2yas n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2yas n THR 159 N -1.09 -0.41 -0.41 -0.72 -1.04 -1.19 -1.62 114.28 107.80 2yas n THR 159 Ca 0.32 2.22 0.05 0.00 -2.04 0.00 0.00 64.05 64.61 2yas n THR 159 Cb 0.95 -3.14 0.14 0.00 -1.82 0.00 0.00 70.33 66.45 2yas n THR 159 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2yas n LEU 160 N -5.55 2.84 -4.84 -4.42 4.77 -1.26 -4.94 117.00 103.61 2yas n LEU 160 Ca 0.19 -2.35 -0.32 0.00 -0.03 0.00 0.00 56.01 53.50 2yas n LEU 160 Cb 0.60 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2yas n LEU 160 CO -0.10 0.66 0.70 0.00 -1.33 0.00 0.00 177.39 177.32 2yas s GLY 162 N -3.34 1.67 0.47 0.00 0.00 -1.26 -4.80 107.32 100.07 2yas s GLY 162 Ca 0.59 0.17 0.14 0.00 0.00 0.00 0.00 44.72 45.62 2yas s GLY 162 CO 0.40 0.52 2.08 -0.56 0.00 0.00 0.00 173.10 175.55 2yas h PRO 163 N -1.04 0.23 0.00 2.90 0.13 -1.98 -0.73 132.00 131.51 2yas h PRO 163 Ca -0.44 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2yas h PRO 163 Cb 1.23 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2yas h PRO 163 CO 0.53 0.15 -0.06 1.05 -0.23 0.00 0.00 178.00 179.45 2yas h GLU 164 N 0.24 0.00 0.12 0.86 9.09 -1.99 0.30 114.58 123.20 2yas h GLU 164 Ca 0.11 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.22 2yas h GLU 164 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 2yas h GLU 164 CO -0.02 0.06 -1.54 0.93 0.05 0.00 0.00 179.01 178.49 2yas h GLU 165 N 0.00 0.25 -0.81 1.06 4.39 -1.53 -3.17 114.58 114.77 2yas h GLU 165 Ca -0.00 -0.43 0.11 0.00 0.34 0.00 0.00 59.36 59.38 2yas h GLU 165 Cb 0.64 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 2yas h GLU 165 CO 0.01 1.21 0.53 -0.92 -1.16 0.00 0.00 179.01 178.67 2yas h TYR 166 N -0.23 0.76 -0.63 4.33 3.20 -1.30 -1.91 116.97 121.18 2yas h TYR 166 Ca -0.33 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.49 2yas h TYR 166 Cb 1.82 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.82 2yas h TYR 166 CO 0.11 0.33 0.14 1.49 -1.64 0.00 0.00 178.16 178.60 2yas h GLU 167 N 0.69 1.03 -0.96 1.82 4.57 -1.01 -0.77 114.58 119.94 2yas h GLU 167 Ca 0.39 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2yas h GLU 167 Cb 0.55 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 2yas h GLU 167 CO -0.15 0.94 0.63 -0.07 -1.18 0.00 0.00 179.01 179.17 2yas h LEU 168 N 0.94 1.03 -0.54 1.64 3.38 -1.34 -1.09 115.31 119.33 2yas h LEU 168 Ca 0.20 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2yas h LEU 168 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2yas h LEU 168 CO 0.01 0.69 -0.01 0.00 0.09 0.00 0.00 178.44 179.21 2yas h ALA 169 N 1.45 0.72 -0.79 1.53 0.00 -0.64 -0.16 119.26 121.37 2yas h ALA 169 Ca 0.39 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2yas h ALA 169 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2yas h ALA 169 CO -0.13 0.55 0.36 0.87 0.00 0.00 0.00 179.25 180.90 2yas h LYS 170 N 0.83 1.13 -0.16 0.00 1.57 -0.54 -1.55 116.57 117.84 2yas h LYS 170 Ca 0.15 -0.17 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 2yas h LYS 170 Cb 0.55 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2yas h LYS 170 CO 0.03 0.88 -0.66 0.52 -0.57 0.00 0.00 179.45 179.65 2yas h MET 171 N 1.12 0.62 0.00 3.15 2.86 -0.97 -3.39 114.93 118.32 2yas h MET 171 Ca 0.27 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2yas h MET 171 Cb 0.13 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2yas h MET 171 CO -0.03 1.07 -1.21 1.28 1.06 0.00 0.00 176.91 179.08 2yas n LEU 172 N -3.93 0.10 -4.77 1.22 4.77 -0.09 -4.98 117.00 109.32 2yas n LEU 172 Ca -0.05 -0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 2yas n LEU 172 Cb 0.67 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2yas n LEU 172 CO 0.49 0.03 0.97 0.42 -1.33 0.00 0.00 177.39 177.96 2yas s THR 173 N -2.48 2.59 0.25 -5.08 -4.23 -0.59 -4.77 115.64 101.32 2yas s THR 173 Ca -0.02 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 2yas s THR 173 Cb 0.06 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.54 2yas s THR 173 CO 0.39 0.07 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.36 2yas s ARG 174 N -2.28 1.45 0.39 3.99 0.52 -0.87 -5.01 118.95 117.14 2yas s ARG 174 Ca 0.58 -1.72 -0.26 0.00 -0.52 0.00 0.00 55.73 53.80 2yas s ARG 174 Cb -0.38 -0.98 -0.11 0.00 0.52 0.00 0.00 34.95 34.01 2yas s ARG 174 CO 0.49 0.02 1.29 1.63 0.02 0.00 0.00 175.30 178.75 2yas n LYS 175 N -0.50 2.04 0.00 3.54 5.02 -1.26 -4.48 118.16 122.52 2yas n LYS 175 Ca -0.06 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2yas n LYS 175 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2yas n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yas n GLY 176 N 0.77 4.45 3.47 0.72 0.00 -0.38 -4.70 105.19 109.52 2yas n GLY 176 Ca 0.06 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 2yas n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yas s SER 177 N 1.34 -0.57 0.21 1.61 0.15 -1.26 -1.02 113.70 114.15 2yas s SER 177 Ca 0.00 0.75 0.26 0.00 0.70 0.00 0.00 55.95 57.66 2yas s SER 177 Cb 0.00 0.70 0.69 0.00 -1.71 0.00 0.00 66.02 65.70 2yas s SER 177 CO 0.00 -0.47 1.68 -0.07 1.20 0.00 0.00 173.24 175.58 2yas h LEU 178 N 3.76 0.00 -1.17 3.45 3.38 -1.98 -3.48 115.31 119.26 2yas h LEU 178 Ca -0.28 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.14 2yas h LEU 178 Cb 1.15 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 2yas h LEU 178 CO 0.31 0.02 -0.81 0.49 0.09 0.00 0.00 178.44 178.54 2yas n PHE 179 N -2.30 -1.93 -0.26 1.13 3.72 -1.26 -4.85 117.46 111.72 2yas n PHE 179 Ca 0.05 0.83 -0.05 0.00 -0.05 0.00 0.00 57.45 58.23 2yas n PHE 179 Cb 0.44 -3.43 0.06 0.00 -0.94 0.00 0.00 39.48 35.61 2yas n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2yas h GLN 180 N -1.75 0.98 0.00 -1.08 4.15 -1.93 -0.27 115.11 115.21 2yas h GLN 180 Ca -0.59 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 58.65 2yas h GLN 180 Cb 1.38 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2yas h GLN 180 CO 0.72 0.71 -0.38 -2.95 -1.93 0.00 0.00 178.83 175.00 2yas h ASN 181 N 0.98 0.00 -0.06 -0.69 -1.07 -1.93 -1.38 115.58 111.42 2yas h ASN 181 Ca 0.26 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.49 2yas h ASN 181 Cb -0.01 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2yas h ASN 181 CO -0.05 0.38 -0.51 0.40 0.07 0.00 0.00 177.43 177.72 2yas h ILE 182 N 0.00 1.39 -0.87 6.14 1.08 -1.66 -3.10 117.51 120.50 2yas h ILE 182 Ca -0.00 -1.89 0.03 0.00 -0.39 0.00 0.00 64.86 62.60 2yas h ILE 182 Cb 0.92 2.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.97 2yas h ILE 182 CO 0.05 0.56 0.57 -0.07 -0.69 0.00 0.00 178.15 178.57 2yas h LEU 183 N 0.00 0.95 -2.43 1.44 3.38 -0.87 -1.94 115.31 115.85 2yas h LEU 183 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2yas h LEU 183 Cb 1.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2yas h LEU 183 CO 0.10 0.67 -0.02 0.00 0.09 0.00 0.00 178.44 179.28 2yas h ALA 184 N 1.48 1.09 -0.23 1.53 0.00 -1.18 -1.44 119.26 120.52 2yas h ALA 184 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2yas h ALA 184 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2yas h ALA 184 CO -0.09 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.81 2yas n LYS 185 N -3.24 1.89 -2.61 0.00 5.02 -0.77 -4.86 118.16 113.59 2yas n LYS 185 Ca -0.02 -1.75 -0.37 0.00 -2.02 0.00 0.00 58.31 54.15 2yas n LYS 185 Cb 0.15 -1.29 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 2yas n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2yas s ARG 186 N -1.06 4.33 0.40 1.97 3.52 -0.54 -5.01 118.95 122.57 2yas s ARG 186 Ca 0.22 1.49 -0.24 0.00 -0.13 0.00 0.00 55.73 57.07 2yas s ARG 186 Cb 0.13 -2.68 -0.12 0.00 -1.56 0.00 0.00 34.95 30.72 2yas s ARG 186 CO 0.18 0.02 0.84 -2.30 -0.81 0.00 0.00 175.30 173.22 2yas n PRO 187 N 0.24 1.03 -1.63 5.12 -0.02 -1.26 -4.60 135.00 133.87 2yas n PRO 187 Ca 0.03 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.52 2yas n PRO 187 Cb 0.49 -1.81 0.08 0.00 -0.02 0.00 0.00 33.50 32.24 2yas n PRO 187 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2yas s PHE 188 N -1.31 2.02 0.37 6.00 0.40 -1.26 -4.77 117.98 119.42 2yas s PHE 188 Ca 0.63 1.51 -0.27 0.00 -0.60 0.00 0.00 56.93 58.20 2yas s PHE 188 Cb -0.60 -3.67 -0.10 0.00 0.51 0.00 0.00 43.02 39.16 2yas s PHE 188 CO 0.57 -2.95 1.31 -0.06 0.70 0.00 0.00 175.22 174.79 2yas s PHE 189 N -1.50 2.93 0.33 0.36 0.08 -1.26 -4.98 117.98 113.94 2yas s PHE 189 Ca 0.81 1.41 -0.07 0.00 0.12 0.00 0.00 56.93 59.20 2yas s PHE 189 Cb -0.36 -3.68 -0.06 0.00 -0.57 0.00 0.00 43.02 38.35 2yas s PHE 189 CO 0.42 -1.98 0.63 0.95 -0.10 0.00 0.00 175.22 175.13 2yas s THR 190 N -1.20 4.94 0.24 0.64 -4.23 -1.26 -4.56 115.64 110.22 2yas s THR 190 Ca 0.53 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.37 2yas s THR 190 Cb -0.39 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 69.65 2yas s THR 190 CO 0.51 -0.39 1.55 0.11 -0.54 0.00 0.00 174.62 175.86 2yas h LYS 191 N 1.52 0.01 0.00 3.99 1.57 -1.93 -0.97 116.57 120.76 2yas h LYS 191 Ca -0.47 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 2yas h LYS 191 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2yas h LYS 191 CO 0.65 0.69 -0.19 0.93 -0.57 0.00 0.00 179.45 180.96 2yas h GLU 192 N 0.00 0.00 0.00 3.15 4.39 -1.93 -2.43 114.58 117.76 2yas h GLU 192 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2yas h GLU 192 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2yas h GLU 192 CO 0.09 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2yas n GLY 193 N 0.96 0.06 0.27 -3.84 0.00 -1.24 -4.26 105.19 97.13 2yas n GLY 193 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2yas n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2yas h TYR 194 N 0.00 0.25 -0.59 1.61 3.20 -1.57 -1.03 116.97 118.84 2yas h TYR 194 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 2yas h TYR 194 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2yas h TYR 194 CO 0.00 -0.10 0.40 0.78 -1.64 0.00 0.00 178.16 177.60 2yas h GLY 195 N 0.25 0.50 1.60 1.82 0.00 -1.14 -2.69 103.07 103.41 2yas h GLY 195 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2yas h GLY 195 CO -0.53 0.08 -0.28 -1.14 0.00 0.00 0.00 176.54 174.67 2yas n SER 196 N -4.46 0.64 -4.81 0.19 3.41 -0.39 -4.89 113.62 103.31 2yas n SER 196 Ca 0.10 0.32 -0.33 0.00 -0.26 0.00 0.00 58.87 58.70 2yas n SER 196 Cb 0.42 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 2yas n SER 196 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2yas s ILE 197 N -3.10 4.05 0.14 -1.33 -4.36 -1.01 -5.00 121.20 110.58 2yas s ILE 197 Ca 0.09 1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 61.41 2yas s ILE 197 Cb 0.14 -3.51 -0.07 0.00 1.25 0.00 0.00 42.46 40.26 2yas s ILE 197 CO 0.64 -0.32 1.16 -0.54 0.24 0.00 0.00 174.94 176.13 2yas s LYS 198 N -3.33 4.51 -0.14 0.37 -0.14 -1.26 -4.95 119.74 114.80 2yas s LYS 198 Ca 0.65 1.79 0.01 0.00 -1.36 0.00 0.00 55.97 57.05 2yas s LYS 198 Cb -0.13 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 2yas s LYS 198 CO 0.20 -0.08 -0.14 0.15 -0.76 0.00 0.00 175.35 174.71 2yas s LYS 199 N 0.11 2.25 -0.20 1.68 1.02 -1.26 -0.81 119.74 122.52 2yas s LYS 199 Ca 0.53 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 2yas s LYS 199 Cb -0.31 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2yas s LYS 199 CO 0.34 -0.19 -0.05 0.42 -0.92 0.00 0.00 175.35 174.96 2yas s ILE 200 N 1.35 3.45 -0.31 2.17 1.09 0.00 -0.82 121.20 128.13 2yas s ILE 200 Ca 0.02 -0.48 -0.08 0.00 -1.10 0.00 0.00 60.65 59.01 2yas s ILE 200 Cb -0.13 -2.55 0.01 0.00 -1.06 0.00 0.00 42.46 38.72 2yas s ILE 200 CO -0.08 0.44 0.12 -0.47 -0.10 0.00 0.00 174.94 174.85 2yas s TYR 201 N 1.23 3.18 -0.11 3.97 6.14 -0.10 -0.83 117.35 130.82 2yas s TYR 201 Ca 0.03 -0.89 0.00 0.00 0.64 0.00 0.00 57.07 56.85 2yas s TYR 201 Cb -0.14 -2.31 -0.02 0.00 0.42 0.00 0.00 41.96 39.91 2yas s TYR 201 CO -0.01 -0.56 -0.11 0.08 0.64 0.00 0.00 175.55 175.59 2yas s VAL 202 N 1.53 3.29 0.17 3.14 1.01 0.13 -0.99 120.40 128.69 2yas s VAL 202 Ca 0.03 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2yas s VAL 202 Cb -0.18 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.89 2yas s VAL 202 CO 0.04 0.54 0.57 -1.66 0.00 0.00 0.00 175.10 174.60 2yas s TRP 203 N -0.05 -0.38 -0.00 5.22 1.48 -0.70 -1.08 118.94 123.42 2yas s TRP 203 Ca -0.02 0.10 0.08 0.00 -1.06 0.00 0.00 56.10 55.20 2yas s TRP 203 Cb -0.14 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.66 2yas s TRP 203 CO 0.04 -0.89 -0.24 -0.08 -4.06 0.00 0.00 176.95 171.72 2yas s THR 204 N -3.80 1.88 -2.01 0.66 -1.32 -1.26 -0.49 115.64 109.30 2yas s THR 204 Ca 0.04 -1.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.73 2yas s THR 204 Cb -0.01 -1.58 0.83 0.00 -1.51 0.00 0.00 72.50 70.23 2yas s THR 204 CO -0.09 0.47 2.12 -0.90 -2.21 0.00 0.00 174.62 174.01 2yas n ASP 205 N 2.34 0.04 -1.06 8.08 5.68 -1.26 -2.88 116.55 127.49 2yas n ASP 205 Ca -0.16 -1.09 0.10 0.00 -0.50 0.00 0.00 54.79 53.14 2yas n ASP 205 Cb 0.52 -0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.76 2yas n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yas n GLN 206 N -0.93 2.35 -2.12 0.11 1.13 -1.26 -4.65 117.38 112.00 2yas n GLN 206 Ca 0.22 -2.08 -0.42 0.00 -1.94 0.00 0.00 57.00 52.78 2yas n GLN 206 Cb 0.11 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 2yas n GLN 206 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2yas s ASP 207 N -1.12 6.76 0.00 1.08 -1.08 -1.14 -4.68 116.67 116.48 2yas s ASP 207 Ca 0.39 2.18 0.17 0.00 -0.52 0.00 0.00 52.55 54.77 2yas s ASP 207 Cb 0.21 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.62 2yas s ASP 207 CO 0.28 -0.82 1.40 -0.62 0.52 0.00 0.00 175.17 175.94 2yas n GLU 208 N 6.06 2.00 0.00 4.34 -0.58 -1.26 -4.06 120.64 127.14 2yas n GLU 208 Ca 0.15 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 2yas n GLU 208 Cb 0.43 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2yas n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2yas n ILE 209 N 0.74 0.00 -2.58 -3.67 3.06 -1.24 -4.83 119.36 110.84 2yas n ILE 209 Ca 0.16 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.98 2yas n ILE 209 Cb 0.39 -1.12 0.00 0.00 0.54 0.00 0.00 39.64 39.45 2yas n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 2yas n PHE 210 N -2.79 4.26 -1.33 9.51 3.01 -1.26 -4.83 117.46 124.04 2yas n PHE 210 Ca 0.00 -3.07 -0.33 0.00 1.01 0.00 0.00 57.45 55.06 2yas n PHE 210 Cb 0.37 -2.28 0.10 0.00 -0.01 0.00 0.00 39.48 37.66 2yas n PHE 210 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2yas s LEU 211 N 1.83 3.22 0.31 4.37 1.43 -1.26 -4.66 118.68 123.94 2yas s LEU 211 Ca 0.45 2.25 0.07 0.00 -1.03 0.00 0.00 54.13 55.86 2yas s LEU 211 Cb 0.04 -4.58 0.76 0.00 0.03 0.00 0.00 46.19 42.44 2yas s LEU 211 CO 0.01 -2.31 1.79 -0.65 0.23 0.00 0.00 176.35 175.42 2yas h PRO 212 N -0.59 0.73 -0.97 1.29 0.11 -1.82 0.35 132.00 131.10 2yas h PRO 212 Ca -0.46 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.70 2yas h PRO 212 Cb 1.28 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2yas h PRO 212 CO 0.49 0.49 0.62 1.49 -0.21 0.00 0.00 178.00 180.88 2yas h GLU 213 N 0.76 0.97 -0.07 1.05 4.81 -1.98 0.78 114.58 120.90 2yas h GLU 213 Ca 0.56 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.63 2yas h GLU 213 Cb 0.88 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2yas h GLU 213 CO -0.34 0.65 -0.34 0.35 -0.73 0.00 0.00 179.01 178.59 2yas h PHE 214 N 1.00 0.49 -0.30 0.92 3.57 -1.29 -2.47 116.94 118.86 2yas h PHE 214 Ca 0.46 -0.21 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2yas h PHE 214 Cb 0.40 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2yas h PHE 214 CO -0.00 0.95 -0.25 1.96 -2.23 0.00 0.00 178.31 178.74 2yas h GLN 215 N -0.12 0.70 -0.28 1.11 4.20 -1.13 -1.10 115.11 118.49 2yas h GLN 215 Ca -0.02 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 2yas h GLN 215 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2yas h GLN 215 CO 0.07 0.96 -0.12 -0.07 -0.67 0.00 0.00 178.83 179.00 2yas h LEU 216 N 0.45 0.46 -0.85 1.46 3.38 -0.97 -1.77 115.31 117.48 2yas h LEU 216 Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2yas h LEU 216 Cb 0.81 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2yas h LEU 216 CO 0.06 0.62 0.56 -0.25 0.09 0.00 0.00 178.44 179.52 2yas h TRP 217 N 0.44 1.06 -0.41 1.13 7.01 -1.16 -1.89 115.95 122.14 2yas h TRP 217 Ca 0.08 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 2yas h TRP 217 Cb 0.48 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2yas h TRP 217 CO 0.02 0.67 -0.09 1.96 -2.79 0.00 0.00 178.44 178.20 2yas h GLN 218 N 1.15 0.79 -0.80 2.65 4.20 -0.58 -0.54 115.11 121.98 2yas h GLN 218 Ca 0.31 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2yas h GLN 218 Cb -0.12 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 2yas h GLN 218 CO -0.07 0.91 0.42 0.82 -0.67 0.00 0.00 178.83 180.24 2yas h ILE 219 N 0.61 1.24 -0.18 2.54 2.04 -1.22 -2.07 117.51 120.48 2yas h ILE 219 Ca 0.11 -0.63 -0.17 0.00 1.00 0.00 0.00 64.86 65.16 2yas h ILE 219 Cb 0.61 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2yas h ILE 219 CO 0.04 0.28 -0.59 -0.08 0.00 0.00 0.00 178.15 177.79 2yas h GLU 220 N 1.12 0.58 -0.74 2.37 4.22 -1.21 -3.27 114.58 117.65 2yas h GLU 220 Ca 0.28 -0.39 -0.04 0.00 0.08 0.00 0.00 59.36 59.28 2yas h GLU 220 Cb 0.06 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2yas h GLU 220 CO -0.04 1.01 0.29 -0.97 -2.18 0.00 0.00 179.01 177.11 2yas h ASN 221 N 0.44 1.03 -2.55 1.04 -1.24 -0.64 -3.40 115.58 110.26 2yas h ASN 221 Ca -0.00 -0.18 -0.51 0.00 0.71 0.00 0.00 56.30 56.32 2yas h ASN 221 Cb 1.15 -0.27 -0.38 0.00 0.73 0.00 0.00 38.32 39.56 2yas h ASN 221 CO 0.11 0.93 -0.78 -0.47 -1.29 0.00 0.00 177.43 175.93 2yas s TYR 222 N -5.53 0.33 -0.00 0.67 5.04 -0.82 -5.10 117.35 111.94 2yas s TYR 222 Ca -0.12 -1.10 -0.30 0.00 -2.44 0.00 0.00 57.07 53.11 2yas s TYR 222 Cb 0.15 -0.80 -0.09 0.00 0.35 0.00 0.00 41.96 41.57 2yas s TYR 222 CO 0.83 -0.85 2.00 1.17 -1.34 0.00 0.00 175.55 177.35 2yas n LYS 223 N 4.66 2.72 -1.41 4.97 4.81 -1.23 -4.66 118.16 128.02 2yas n LYS 223 Ca 0.04 0.98 -0.32 0.00 -0.87 0.00 0.00 58.31 58.14 2yas n LYS 223 Cb 0.41 -3.01 0.08 0.00 0.02 0.00 0.00 35.03 32.53 2yas n LYS 223 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2yas s PRO 224 N 4.65 2.35 0.34 1.64 0.02 -1.26 -4.95 135.00 137.78 2yas s PRO 224 Ca 0.91 1.32 0.09 0.00 0.02 0.00 0.00 61.00 63.33 2yas s PRO 224 Cb -0.45 -1.90 0.60 0.00 0.02 0.00 0.00 34.50 32.78 2yas s PRO 224 CO 0.42 -1.59 1.79 -0.44 -0.33 0.00 0.00 177.00 176.85 2yas h ASP 225 N -0.71 0.20 -4.20 2.53 3.32 -1.35 -3.45 116.42 112.76 2yas h ASP 225 Ca -0.45 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 2yas h ASP 225 Cb 1.24 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 2yas h ASP 225 CO 0.51 0.51 -0.18 -0.75 -1.72 0.00 0.00 179.24 177.61 2yas s LYS 226 N -4.34 0.59 -0.07 3.56 2.47 -1.14 -5.03 119.74 115.78 2yas s LYS 226 Ca -0.04 0.43 0.04 0.00 -1.56 0.00 0.00 55.97 54.84 2yas s LYS 226 Cb 0.14 0.28 -0.00 0.00 -1.46 0.00 0.00 37.83 36.79 2yas s LYS 226 CO 0.75 -0.11 -0.21 0.08 0.16 0.00 0.00 175.35 176.02 2yas s VAL 227 N -0.18 1.79 -0.16 4.02 1.01 -1.26 -0.92 120.40 124.70 2yas s VAL 227 Ca -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2yas s VAL 227 Cb -0.03 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2yas s VAL 227 CO 0.02 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.10 2yas s TYR 228 N 0.20 2.71 -0.26 5.22 1.51 -0.16 -4.95 117.35 121.62 2yas s TYR 228 Ca -0.11 -1.46 -0.10 0.00 -1.01 0.00 0.00 57.07 54.39 2yas s TYR 228 Cb -0.15 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2yas s TYR 228 CO 0.05 -0.69 0.14 0.21 -1.11 0.00 0.00 175.55 174.16 2yas s LYS 229 N 1.00 3.86 -0.19 -0.62 2.20 -1.26 -1.71 119.74 123.01 2yas s LYS 229 Ca -0.02 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.05 2yas s LYS 229 Cb -0.15 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 2yas s LYS 229 CO -0.06 -0.15 0.44 0.08 -0.36 0.00 0.00 175.35 175.30 2yas s VAL 230 N 1.61 5.17 0.05 4.02 1.01 0.36 -4.97 120.40 127.64 2yas s VAL 230 Ca 0.07 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2yas s VAL 230 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2yas s VAL 230 CO 0.08 0.24 1.05 -1.61 0.00 0.00 0.00 175.10 174.86 2yas s GLU 231 N 1.29 4.55 2.40 2.72 0.41 -1.26 -4.28 118.70 124.53 2yas s GLU 231 Ca 0.21 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.31 2yas s GLU 231 Cb -0.15 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 2yas s GLU 231 CO 0.09 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 2yas n GLY 232 N 2.82 -0.78 7.00 -1.39 0.00 -1.26 -5.05 105.19 106.54 2yas n GLY 232 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2yas n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yas n GLY 233 N 0.00 0.53 0.00 -0.02 0.00 -1.26 -4.64 105.19 99.79 2yas n GLY 233 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2yas n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yas n ASP 234 N -2.43 0.00 -0.10 1.61 5.68 -1.26 -4.74 116.55 115.31 2yas n ASP 234 Ca 0.00 -0.68 0.07 0.00 -0.50 0.00 0.00 54.79 53.69 2yas n ASP 234 Cb 0.00 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.40 2yas n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2yas h HIS 235 N 0.68 0.59 -1.91 2.11 -0.00 -1.83 -3.16 115.15 111.63 2yas h HIS 235 Ca 0.00 0.01 -0.78 0.00 -0.00 0.00 0.00 60.37 59.61 2yas h HIS 235 Cb 0.00 -0.19 -0.20 0.00 -0.00 0.00 0.00 27.41 27.02 2yas h HIS 235 CO 0.00 0.32 1.61 1.63 -0.00 0.00 0.00 177.93 181.49 2yas n LYS 236 N -4.47 4.18 0.26 5.26 4.76 -1.21 -4.80 118.16 122.14 2yas n LYS 236 Ca 0.08 -3.94 0.11 0.00 -2.87 0.00 0.00 58.31 51.69 2yas n LYS 236 Cb 0.22 -2.71 0.72 0.00 -1.84 0.00 0.00 35.03 31.41 2yas n LYS 236 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2yas h LEU 237 N 6.47 0.00 0.00 -0.35 3.38 -1.93 0.30 115.31 123.18 2yas h LEU 237 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2yas h LEU 237 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2yas h LEU 237 CO 1.48 0.08 0.00 0.00 0.09 0.00 0.00 178.44 180.10 2yas n GLN 238 N -3.98 0.03 -0.08 1.13 0.00 -1.26 -0.61 117.38 112.61 2yas n GLN 238 Ca -0.02 0.25 -0.12 0.00 0.00 0.00 0.00 57.00 57.10 2yas n GLN 238 Cb 0.17 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.84 2yas n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2yas n LEU 239 N -1.47 2.68 0.06 2.61 4.77 -0.01 -4.20 117.00 121.45 2yas n LEU 239 Ca 0.04 -0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2yas n LEU 239 Cb 0.15 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2yas n LEU 239 CO 0.12 0.70 -0.24 0.35 -1.33 0.00 0.00 177.39 177.00 2yas n THR 240 N -3.11 0.62 -2.66 -5.08 -2.24 -0.59 -4.37 114.28 96.85 2yas n THR 240 Ca -0.29 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 60.82 2yas n THR 240 Cb 0.79 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2yas n THR 240 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2yas n LYS 241 N -2.63 1.65 -0.08 -0.78 4.76 0.22 -4.82 118.16 116.47 2yas n LYS 241 Ca -0.04 -3.49 -0.07 0.00 -2.87 0.00 0.00 58.31 51.84 2yas n LYS 241 Cb 0.63 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2yas n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2yas h THR 242 N 3.60 0.93 -0.82 -0.18 2.02 -1.72 -0.96 112.91 115.78 2yas h THR 242 Ca -0.05 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2yas h THR 242 Cb 1.19 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2yas h THR 242 CO 0.47 0.05 0.36 0.50 0.37 0.00 0.00 175.52 177.26 2yas h LYS 243 N 0.25 1.21 -0.59 6.66 3.64 -1.93 -1.12 116.57 124.70 2yas h LYS 243 Ca 0.13 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2yas h LYS 243 Cb 0.09 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2yas h LYS 243 CO -0.13 0.96 0.18 0.93 -2.27 0.00 0.00 179.45 179.12 2yas h GLU 244 N 1.19 0.92 -0.63 1.90 3.07 -1.78 -0.95 114.58 118.31 2yas h GLU 244 Ca 0.28 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2yas h GLU 244 Cb 0.18 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 2yas h GLU 244 CO -0.03 0.82 0.29 0.82 -1.40 0.00 0.00 179.01 179.52 2yas h ILE 245 N 0.84 1.22 -0.61 3.13 1.08 -0.92 -1.34 117.51 120.90 2yas h ILE 245 Ca 0.19 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 2yas h ILE 245 Cb 0.29 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 2yas h ILE 245 CO -0.01 0.26 0.31 0.00 -0.69 0.00 0.00 178.15 178.02 2yas h ALA 246 N 1.13 1.39 -0.65 1.87 0.00 -0.90 -0.38 119.26 121.71 2yas h ALA 246 Ca 0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2yas h ALA 246 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2yas h ALA 246 CO -0.03 0.49 0.14 0.93 0.00 0.00 0.00 179.25 180.78 2yas h GLU 247 N 0.86 1.06 -0.41 0.00 5.08 -0.73 -0.88 114.58 119.56 2yas h GLU 247 Ca 0.22 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2yas h GLU 247 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2yas h GLU 247 CO -0.03 0.96 0.03 0.82 -1.00 0.00 0.00 179.01 179.79 2yas h ILE 248 N 0.98 1.25 -0.29 3.13 2.04 -0.90 -2.23 117.51 121.49 2yas h ILE 248 Ca 0.20 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 2yas h ILE 248 Cb 0.39 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2yas h ILE 248 CO 0.01 0.33 -0.18 -0.07 0.00 0.00 0.00 178.15 178.24 2yas h LEU 249 N 0.55 0.51 -0.80 1.44 3.38 -0.79 -0.59 115.31 119.01 2yas h LEU 249 Ca 0.12 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2yas h LEU 249 Cb 0.44 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2yas h LEU 249 CO 0.02 0.71 0.53 -0.61 0.09 0.00 0.00 178.44 179.17 2yas h GLN 250 N 0.47 1.03 -0.60 1.13 5.75 -0.99 -0.81 115.11 121.08 2yas h GLN 250 Ca 0.08 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 2yas h GLN 250 Cb 0.58 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2yas h GLN 250 CO 0.04 0.68 0.03 1.49 -2.65 0.00 0.00 178.83 178.42 2yas h GLU 251 N 1.06 1.04 -0.79 1.69 4.81 -0.68 -1.52 114.58 120.20 2yas h GLU 251 Ca 0.30 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2yas h GLU 251 Cb -0.09 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 2yas h GLU 251 CO -0.08 1.01 0.49 0.28 -0.73 0.00 0.00 179.01 179.98 2yas h VAL 252 N 0.94 1.08 -0.41 0.32 2.07 -0.78 -1.28 116.25 118.20 2yas h VAL 252 Ca 0.17 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2yas h VAL 252 Cb 0.52 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2yas h VAL 252 CO 0.03 0.17 0.20 0.00 0.02 0.00 0.00 177.57 177.99 2yas h ALA 253 N 1.35 1.58 -0.00 1.67 0.00 -0.61 -0.68 119.26 122.57 2yas h ALA 253 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2yas h ALA 253 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2yas h ALA 253 CO -0.13 0.34 -0.14 -0.25 0.00 0.00 0.00 179.25 179.06 2yas n ASP 254 N -4.41 0.31 -0.09 0.00 8.00 -0.62 -4.14 116.55 115.59 2yas n ASP 254 Ca 0.03 -0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 2yas n ASP 254 Cb 0.12 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 2yas n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2yas n THR 255 N -1.23 1.08 -4.65 -3.53 -1.04 -0.56 -5.01 114.28 99.34 2yas n THR 255 Ca 0.11 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.40 2yas n THR 255 Cb 0.30 -1.17 -0.17 0.00 -1.82 0.00 0.00 70.33 67.48 2yas n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2yas s TYR 256 N -2.38 2.27 0.00 -1.42 2.02 -0.37 -5.10 117.35 112.38 2yas s TYR 256 Ca -0.25 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.38 2yas s TYR 256 Cb 0.07 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 2yas s TYR 256 CO 0.43 -0.50 0.02 0.27 -1.57 0.00 0.00 175.55 174.20