#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwe s ALA 5 N 0.00 3.73 0.27 -1.18 0.00 0.02 -4.16 121.76 120.44 1uwe s ALA 5 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 51.96 51.51 1uwe s ALA 5 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1uwe s ALA 5 CO 0.00 0.34 -0.12 -0.65 0.00 0.00 0.00 175.76 175.33 1uwe s GLN 6 N -0.26 1.92 0.90 0.00 -0.21 -1.26 -1.15 119.66 119.61 1uwe s GLN 6 Ca 0.14 -1.60 -0.11 0.00 0.02 0.00 0.00 55.36 53.81 1uwe s GLN 6 Cb -0.12 -1.94 0.13 0.00 1.00 0.00 0.00 33.01 32.08 1uwe s GLN 6 CO 0.03 0.35 1.09 -1.54 -2.12 0.00 0.00 175.29 173.11 1uwe s SER 7 N -3.50 3.31 1.13 5.90 1.04 -0.94 -4.98 113.70 115.66 1uwe s SER 7 Ca 0.30 1.70 -0.18 0.00 0.48 0.00 0.00 55.95 58.26 1uwe s SER 7 Cb -0.06 -2.34 0.25 0.00 0.10 0.00 0.00 66.02 63.97 1uwe s SER 7 CO 0.17 -2.77 1.14 -0.83 0.98 0.00 0.00 173.24 171.93 1uwe s GLY 8 N -3.17 1.61 0.58 7.32 0.00 -1.26 -4.70 107.32 107.70 1uwe s GLY 8 Ca 0.64 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 1uwe s GLY 8 CO 0.58 -0.09 1.11 -1.55 0.00 0.00 0.00 173.10 173.15 1uwe n PRO 9 N -4.49 1.15 -3.88 2.90 -0.04 -1.26 -4.71 135.00 124.68 1uwe n PRO 9 Ca 0.12 0.44 -0.15 0.00 -0.04 0.00 0.00 63.50 63.87 1uwe n PRO 9 Cb 0.59 -2.31 -0.16 0.00 -0.04 0.00 0.00 33.50 31.59 1uwe n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwe s GLU 10 N -2.82 0.13 -0.25 0.54 2.02 -0.32 -4.63 118.70 113.38 1uwe s GLU 10 Ca 0.75 0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.73 1uwe s GLU 10 Cb -0.42 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1uwe s GLU 10 CO 0.47 -0.10 0.12 -1.17 0.02 0.00 0.00 175.26 174.60 1uwe s LEU 11 N 0.75 3.74 -0.02 1.80 2.96 -1.26 -1.30 118.68 125.34 1uwe s LEU 11 Ca -0.07 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1uwe s LEU 11 Cb -0.10 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1uwe s LEU 11 CO -0.02 -0.01 -0.13 0.54 -1.32 0.00 0.00 176.35 175.41 1uwe s VAL 12 N 1.51 1.06 0.49 1.68 0.11 -0.27 -4.99 120.40 119.98 1uwe s VAL 12 Ca 0.06 -0.54 -0.22 0.00 -2.93 0.00 0.00 61.98 58.35 1uwe s VAL 12 Cb -0.15 -0.90 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 1uwe s VAL 12 CO 0.06 0.31 1.19 -0.54 -3.33 0.00 0.00 175.10 172.79 1uwe s LYS 13 N -0.10 3.60 0.34 1.54 -0.14 -1.24 -1.07 119.74 122.67 1uwe s LYS 13 Ca 0.01 1.83 -0.28 0.00 -1.36 0.00 0.00 55.97 56.16 1uwe s LYS 13 Cb -0.07 -2.33 -0.12 0.00 -1.68 0.00 0.00 37.83 33.63 1uwe s LYS 13 CO 0.00 -0.70 1.40 -0.35 -0.76 0.00 0.00 175.35 174.94 1uwe n PRO 14 N -0.69 2.36 0.00 -1.68 -0.04 -1.26 -1.54 135.00 132.15 1uwe n PRO 14 Ca 0.08 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1uwe n PRO 14 Cb 0.48 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1uwe n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uwe n GLY 15 N 0.91 3.24 2.60 0.55 0.00 0.11 -4.90 105.19 107.70 1uwe n GLY 15 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1uwe n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwe n ALA 16 N -1.10 -0.60 -2.46 4.61 0.00 -0.59 -4.02 120.51 116.34 1uwe n ALA 16 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.00 1uwe n ALA 16 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 1uwe n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uwe s SER 17 N -4.07 2.83 -0.09 0.00 0.01 -1.26 -1.89 113.70 109.22 1uwe s SER 17 Ca 0.48 -1.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 1uwe s SER 17 Cb -0.02 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1uwe s SER 17 CO 0.33 -0.43 0.22 0.68 0.41 0.00 0.00 173.24 174.45 1uwe s VAL 18 N -3.04 -0.02 -0.34 3.43 -7.23 -0.64 -5.00 120.40 107.57 1uwe s VAL 18 Ca 0.32 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 1uwe s VAL 18 Cb 0.06 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1uwe s VAL 18 CO 0.14 0.03 0.23 -0.75 -0.31 0.00 0.00 175.10 174.44 1uwe s LYS 19 N 0.69 3.48 -0.16 4.82 2.20 -1.26 -1.30 119.74 128.21 1uwe s LYS 19 Ca -0.05 -0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 1uwe s LYS 19 Cb -0.06 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1uwe s LYS 19 CO -0.04 -0.44 0.17 0.42 -0.36 0.00 0.00 175.35 175.11 1uwe s ILE 20 N 1.71 5.41 0.25 5.43 1.01 0.23 -4.96 121.20 130.29 1uwe s ILE 20 Ca 0.06 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.08 1uwe s ILE 20 Cb -0.17 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1uwe s ILE 20 CO 0.10 0.50 0.03 -0.94 0.00 0.00 0.00 174.94 174.63 1uwe s SER 21 N -0.19 4.72 -0.22 3.58 1.04 -1.26 -0.49 113.70 120.88 1uwe s SER 21 Ca 0.13 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 1uwe s SER 21 Cb -0.12 -0.95 0.11 0.00 0.10 0.00 0.00 66.02 65.16 1uwe s SER 21 CO 0.02 0.01 0.42 0.00 0.98 0.00 0.00 173.24 174.67 1uwe s ALA 23 N 2.62 1.16 -0.45 0.00 0.00 -0.30 0.15 121.76 124.92 1uwe s ALA 23 Ca 0.04 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1uwe s ALA 23 Cb -0.13 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.92 1uwe s ALA 23 CO -0.14 0.18 0.38 0.00 0.00 0.00 0.00 175.76 176.18 1uwe s ALA 24 N -1.11 3.53 0.03 0.00 0.00 -1.26 -0.80 121.76 122.16 1uwe s ALA 24 Ca -0.01 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.67 1uwe s ALA 24 Cb -0.09 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 1uwe s ALA 24 CO 0.02 -1.66 1.70 0.45 0.00 0.00 0.00 175.76 176.27 1uwe s SER 25 N 2.32 6.60 0.00 0.00 0.15 -1.26 -3.35 113.70 118.16 1uwe s SER 25 Ca 0.05 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1uwe s SER 25 Cb -0.22 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1uwe s SER 25 CO 0.08 -0.92 0.00 0.00 1.20 0.00 0.00 173.24 173.60 1uwe n ALA 26 N 6.30 0.00 -2.92 5.45 0.00 -1.26 -4.96 120.51 123.13 1uwe n ALA 26 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 1uwe n ALA 26 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1uwe n ALA 26 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uwe s TYR 27 N 0.00 3.41 -0.48 0.00 2.02 -1.21 -5.06 117.35 116.03 1uwe s TYR 27 Ca 0.00 0.08 -0.27 0.00 -0.37 0.00 0.00 57.07 56.51 1uwe s TYR 27 Cb 0.00 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1uwe s TYR 27 CO 0.00 0.51 1.00 0.45 -1.57 0.00 0.00 175.55 175.94 1uwe s SER 28 N -3.29 6.52 0.40 2.29 0.15 -1.26 -4.35 113.70 114.15 1uwe s SER 28 Ca 0.34 0.18 0.12 0.00 0.70 0.00 0.00 55.95 57.28 1uwe s SER 28 Cb -0.11 -2.48 0.93 0.00 -1.71 0.00 0.00 66.02 62.65 1uwe s SER 28 CO 0.28 -1.15 1.92 -0.29 1.20 0.00 0.00 173.24 175.19 1uwe h ILE 29 N 6.13 0.86 0.00 6.45 2.10 -1.81 -2.12 117.51 129.12 1uwe h ILE 29 Ca -0.24 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1uwe h ILE 29 Cb 1.07 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1uwe h ILE 29 CO 1.07 0.10 0.00 0.35 -1.08 0.00 0.00 178.15 178.59 1uwe n THR 30 N -4.50 0.00 0.94 2.19 -2.24 -1.26 -2.24 114.28 107.16 1uwe n THR 30 Ca 0.14 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 1uwe n THR 30 Cb 0.44 -0.40 0.55 0.00 -2.10 0.00 0.00 70.33 68.82 1uwe n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1uwe n ASP 31 N -0.80 0.18 -4.12 3.42 8.00 -0.80 -4.46 116.55 117.97 1uwe n ASP 31 Ca 0.11 0.45 -0.28 0.00 0.71 0.00 0.00 54.79 55.78 1uwe n ASP 31 Cb 0.05 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1uwe n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1uwe s PHE 32 N -3.02 1.77 -0.13 1.24 0.08 -0.95 -4.94 117.98 112.03 1uwe s PHE 32 Ca 0.13 -1.31 -0.27 0.00 0.12 0.00 0.00 56.93 55.60 1uwe s PHE 32 Cb 0.18 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1uwe s PHE 32 CO 0.56 -0.29 0.90 0.99 -0.10 0.00 0.00 175.22 177.28 1uwe s THR 33 N -3.13 4.85 -0.11 0.64 2.01 -1.10 -4.50 115.64 114.30 1uwe s THR 33 Ca 0.19 1.81 -0.03 0.00 0.31 0.00 0.00 61.69 63.97 1uwe s THR 33 Cb 0.01 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1uwe s THR 33 CO 0.13 0.03 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.46 1uwe s ILE 34 N 2.01 4.27 0.13 1.82 1.09 -0.66 -1.87 121.20 127.98 1uwe s ILE 34 Ca 0.43 -0.25 -0.05 0.00 -1.10 0.00 0.00 60.65 59.67 1uwe s ILE 34 Cb -0.17 -2.82 -0.02 0.00 -1.06 0.00 0.00 42.46 38.39 1uwe s ILE 34 CO 0.15 0.57 0.16 -0.72 -0.10 0.00 0.00 174.94 175.00 1uwe s TYR 35 N -0.54 0.52 -0.01 3.97 -0.85 -0.12 -0.83 117.35 119.49 1uwe s TYR 35 Ca 0.09 -0.92 0.07 0.00 -0.52 0.00 0.00 57.07 55.79 1uwe s TYR 35 Cb -0.12 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 1uwe s TYR 35 CO 0.02 -0.59 -0.21 -1.58 -1.52 0.00 0.00 175.55 171.67 1uwe s TRP 36 N -3.97 1.91 -0.01 -3.49 0.52 -0.50 0.21 118.94 113.60 1uwe s TRP 36 Ca 0.16 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1uwe s TRP 36 Cb 0.05 -1.22 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 1uwe s TRP 36 CO -0.02 -0.03 -0.18 0.08 0.02 0.00 0.00 176.95 176.82 1uwe s VAL 37 N -0.52 1.44 -0.18 4.03 1.01 0.45 -0.99 120.40 125.64 1uwe s VAL 37 Ca 0.08 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1uwe s VAL 37 Cb -0.08 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1uwe s VAL 37 CO -0.01 0.39 0.08 -0.75 0.00 0.00 0.00 175.10 174.81 1uwe s LYS 38 N -0.48 4.00 -0.16 2.72 2.20 0.51 -0.22 119.74 128.32 1uwe s LYS 38 Ca 0.07 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 1uwe s LYS 38 Cb -0.07 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1uwe s LYS 38 CO -0.01 0.29 -0.19 -1.14 -0.36 0.00 0.00 175.35 173.95 1uwe s GLN 39 N 0.33 3.08 -0.14 4.03 0.74 0.08 -0.44 119.66 127.35 1uwe s GLN 39 Ca 0.04 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1uwe s GLN 39 Cb -0.12 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 1uwe s GLN 39 CO -0.00 -0.08 0.02 -1.12 -0.55 0.00 0.00 175.29 173.56 1uwe s SER 40 N 1.00 5.28 -1.54 6.67 0.01 -0.98 -1.42 113.70 122.73 1uwe s SER 40 Ca -0.02 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 1uwe s SER 40 Cb -0.15 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.33 1uwe s SER 40 CO -0.05 0.24 0.43 1.41 0.41 0.00 0.00 173.24 175.69 1uwe n HIS 41 N 3.05 -1.72 -1.25 2.43 8.25 -1.26 -1.90 115.22 122.81 1uwe n HIS 41 Ca -0.18 0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1uwe n HIS 41 Cb 0.53 -4.08 -0.04 0.00 1.12 0.00 0.00 29.99 27.52 1uwe n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uwe n GLY 42 N -1.33 0.93 0.00 -1.41 0.00 -1.26 -4.81 105.19 97.30 1uwe n GLY 42 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1uwe n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uwe n ASP 43 N -0.71 0.00 -4.76 1.61 5.68 -0.80 -5.11 116.55 112.47 1uwe n ASP 43 Ca -0.09 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.79 1uwe n ASP 43 Cb 0.47 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 1uwe n ASP 43 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1uwe s SER 44 N 1.00 6.34 -0.13 -1.12 1.04 -1.19 -4.72 113.70 114.92 1uwe s SER 44 Ca 0.00 2.99 -0.03 0.00 0.48 0.00 0.00 55.95 59.39 1uwe s SER 44 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1uwe s SER 44 CO 0.00 -0.93 -0.04 -0.76 0.98 0.00 0.00 173.24 172.50 1uwe s LEU 45 N -0.76 3.29 -0.13 2.42 1.43 -1.26 -2.32 118.68 121.35 1uwe s LEU 45 Ca 0.62 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1uwe s LEU 45 Cb -0.48 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1uwe s LEU 45 CO 0.51 0.22 -0.08 -1.61 0.23 0.00 0.00 176.35 175.62 1uwe s GLU 46 N 0.04 1.56 -0.06 1.70 2.02 0.42 -4.97 118.70 119.41 1uwe s GLU 46 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 1uwe s GLU 46 Cb -0.13 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 1uwe s GLU 46 CO 0.03 -0.30 1.45 -0.46 0.02 0.00 0.00 175.26 175.99 1uwe s TRP 47 N 1.68 2.58 -0.17 1.61 -0.00 -1.26 -0.36 118.94 123.02 1uwe s TRP 47 Ca 0.04 0.67 -0.21 0.00 -0.00 0.00 0.00 56.10 56.60 1uwe s TRP 47 Cb -0.13 -3.70 -0.23 0.00 -0.00 0.00 0.00 33.47 29.41 1uwe s TRP 47 CO -0.08 -2.71 0.42 0.82 -0.00 0.00 0.00 176.95 175.40 1uwe h ILE 48 N 5.25 1.12 0.00 5.86 2.04 -1.43 -3.42 117.51 126.94 1uwe h ILE 48 Ca -0.36 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1uwe h ILE 48 Cb 1.16 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1uwe h ILE 48 CO 0.93 0.48 0.00 0.61 0.00 0.00 0.00 178.15 180.18 1uwe n GLY 49 N 1.56 -0.64 3.76 5.37 0.00 -1.24 0.17 105.19 114.18 1uwe n GLY 49 Ca -0.26 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1uwe n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uwe s GLY 50 N 0.00 -0.20 0.02 -0.02 0.00 0.14 -1.42 107.32 105.84 1uwe s GLY 50 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1uwe s GLY 50 CO 0.00 -0.04 -0.03 -0.26 0.00 0.00 0.00 173.10 172.77 1uwe s ILE 51 N -3.88 0.12 -0.55 0.90 -4.36 -0.01 -0.99 121.20 112.42 1uwe s ILE 51 Ca 0.09 -0.80 0.04 0.00 -0.26 0.00 0.00 60.65 59.72 1uwe s ILE 51 Cb -0.05 -0.25 0.14 0.00 1.25 0.00 0.00 42.46 43.56 1uwe s ILE 51 CO 0.03 -0.43 0.32 -0.62 0.24 0.00 0.00 174.94 174.48 1uwe s ASP 52 N -1.28 4.26 0.29 4.36 -1.08 -1.25 -1.66 116.67 120.31 1uwe s ASP 52 Ca -0.14 -3.18 0.02 0.00 -0.52 0.00 0.00 52.55 48.74 1uwe s ASP 52 Cb -0.09 -1.51 0.73 0.00 -1.46 0.00 0.00 42.92 40.59 1uwe s ASP 52 CO -0.01 -0.20 1.63 -0.65 0.52 0.00 0.00 175.17 176.47 1uwe h PRO 52 N 6.22 0.15 0.10 4.34 0.11 -1.81 0.20 132.00 141.31 1uwe h PRO 52 Ca -0.00 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1uwe h PRO 52 Cb 0.86 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1uwe h PRO 52 CO 0.66 0.10 -1.31 0.45 -0.21 0.00 0.00 178.00 177.68 1uwe h HIS 53 N 0.16 0.39 0.00 0.65 3.86 -1.90 -3.39 115.15 114.92 1uwe h HIS 53 Ca 0.57 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1uwe h HIS 53 Cb 1.16 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1uwe h HIS 53 CO -0.30 1.26 0.00 0.09 0.86 0.00 0.00 177.93 179.84 1uwe n ASN 54 N -3.46 1.81 0.00 2.45 3.02 -0.88 -5.11 115.26 113.09 1uwe n ASN 54 Ca -0.10 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1uwe n ASN 54 Cb 1.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 1uwe n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwe n GLY 55 N -0.41 0.49 2.19 7.41 0.00 0.64 -4.94 105.19 110.57 1uwe n GLY 55 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1uwe n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwe n GLY 56 N 0.00 0.10 3.80 -0.02 0.00 -1.26 -3.95 105.19 103.86 1uwe n GLY 56 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1uwe n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uwe s GLY 57 N -2.73 2.60 0.07 -0.02 0.00 -1.26 -4.70 107.32 101.28 1uwe s GLY 57 Ca 0.05 0.46 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 1uwe s GLY 57 CO 0.06 0.82 0.21 0.00 0.00 0.00 0.00 173.10 174.19 1uwe s ALA 58 N -1.88 -0.34 0.10 3.20 0.00 -0.16 -4.98 121.76 117.70 1uwe s ALA 58 Ca 0.56 -0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.20 1uwe s ALA 58 Cb -0.14 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1uwe s ALA 58 CO 0.19 -0.45 -0.25 0.71 0.00 0.00 0.00 175.76 175.95 1uwe s TYR 59 N -3.23 2.19 -0.06 0.00 2.02 -1.26 -0.68 117.35 116.33 1uwe s TYR 59 Ca 0.00 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 1uwe s TYR 59 Cb 0.02 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1uwe s TYR 59 CO -0.08 0.26 1.05 1.21 -1.57 0.00 0.00 175.55 176.43 1uwe s ASN 60 N -1.82 7.22 0.49 2.29 3.84 0.13 -4.92 114.94 122.17 1uwe s ASN 60 Ca 0.12 1.66 0.23 0.00 0.21 0.00 0.00 52.86 55.08 1uwe s ASN 60 Cb -0.10 -2.56 1.29 0.00 -0.55 0.00 0.00 41.25 39.33 1uwe s ASN 60 CO 0.05 -0.43 1.93 -0.61 -2.79 0.00 0.00 177.10 175.25 1uwe h GLN 61 N 7.07 0.16 -0.65 0.43 5.75 -1.95 0.49 115.11 126.41 1uwe h GLN 61 Ca -0.35 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1uwe h GLN 61 Cb 1.17 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 1uwe h GLN 61 CO 0.83 0.11 0.43 -0.22 -2.65 0.00 0.00 178.83 177.33 1uwe h LYS 62 N 0.16 0.71 -0.47 1.69 3.64 -1.94 -2.66 116.57 117.70 1uwe h LYS 62 Ca 0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1uwe h LYS 62 Cb 1.17 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1uwe h LYS 62 CO -0.06 0.47 0.00 1.19 -2.27 0.00 0.00 179.45 178.78 1uwe n PHE 63 N -4.47 0.62 -0.33 1.91 3.72 0.12 -4.73 117.46 114.30 1uwe n PHE 63 Ca 0.09 -0.40 -0.09 0.00 -0.05 0.00 0.00 57.45 57.00 1uwe n PHE 63 Cb 0.17 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 1uwe n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uwe h ARG 64 N 3.46 -0.02 -0.07 -1.08 3.08 -1.08 0.82 114.38 119.48 1uwe h ARG 64 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1uwe h ARG 64 Cb 0.87 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1uwe h ARG 64 CO 0.00 -0.02 -0.75 0.28 -1.07 0.00 0.00 179.97 178.42 1uwe h VAL 65 N -0.02 1.38 0.00 2.04 2.07 -1.85 -3.34 116.25 116.52 1uwe h VAL 65 Ca 0.13 -2.16 -0.07 0.00 0.82 0.00 0.00 66.70 65.41 1uwe h VAL 65 Cb 0.35 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1uwe h VAL 65 CO -0.75 0.65 -0.35 0.50 0.02 0.00 0.00 177.57 177.65 1uwe h LYS 66 N 0.28 0.00 -4.93 1.57 1.63 -1.57 -3.46 116.57 110.08 1uwe h LYS 66 Ca -0.04 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.34 1uwe h LYS 66 Cb 1.33 0.00 -0.29 0.00 -0.60 0.00 0.00 32.23 32.67 1uwe h LYS 66 CO 0.13 0.35 -0.79 0.00 -3.45 0.00 0.00 179.45 175.68 1uwe s ALA 67 N -3.27 0.90 -0.14 5.00 0.00 0.18 -1.96 121.76 122.48 1uwe s ALA 67 Ca 0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1uwe s ALA 67 Cb 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1uwe s ALA 67 CO 0.70 0.22 -0.09 0.99 0.00 0.00 0.00 175.76 177.57 1uwe s THR 68 N -0.26 1.23 -0.15 0.00 2.01 -0.30 -4.77 115.64 113.39 1uwe s THR 68 Ca 0.04 -0.47 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 1uwe s THR 68 Cb -0.04 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 1uwe s THR 68 CO -0.00 0.35 0.32 -0.76 -0.69 0.00 0.00 174.62 173.83 1uwe s LEU 69 N 1.62 4.25 0.18 4.42 1.02 -1.26 -0.76 118.68 128.14 1uwe s LEU 69 Ca 0.04 0.55 -0.01 0.00 0.02 0.00 0.00 54.13 54.73 1uwe s LEU 69 Cb -0.13 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1uwe s LEU 69 CO -0.09 0.09 0.11 0.42 0.02 0.00 0.00 176.35 176.90 1uwe s THR 70 N 0.47 0.04 -0.03 5.49 -4.23 -0.75 -5.02 115.64 111.61 1uwe s THR 70 Ca 0.18 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1uwe s THR 70 Cb -0.13 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.41 1uwe s THR 70 CO 0.05 -0.17 0.07 -0.69 -0.54 0.00 0.00 174.62 173.33 1uwe s VAL 71 N -4.11 -0.01 -0.50 2.29 1.01 -1.26 -0.31 120.40 117.50 1uwe s VAL 71 Ca 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1uwe s VAL 71 Cb 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 36.38 36.46 1uwe s VAL 71 CO 0.08 0.02 0.28 -0.62 0.00 0.00 0.00 175.10 174.86 1uwe s ASP 72 N 0.30 5.01 0.36 3.32 -1.08 0.13 -4.96 116.67 119.76 1uwe s ASP 72 Ca -0.02 -2.52 0.09 0.00 -0.52 0.00 0.00 52.55 49.58 1uwe s ASP 72 Cb -0.03 -1.78 0.83 0.00 -1.46 0.00 0.00 42.92 40.48 1uwe s ASP 72 CO -0.01 -0.40 1.88 0.74 0.52 0.00 0.00 175.17 177.89 1uwe h THR 73 N 5.86 0.84 -0.71 1.71 2.02 -1.96 -1.27 112.91 119.40 1uwe h THR 73 Ca -0.07 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1uwe h THR 73 Cb 0.98 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1uwe h THR 73 CO 0.68 0.12 0.47 0.28 0.37 0.00 0.00 175.52 177.44 1uwe h SER 74 N 0.67 0.77 -0.19 4.18 0.02 -1.95 -2.33 113.55 114.71 1uwe h SER 74 Ca 0.43 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1uwe h SER 74 Cb 0.71 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1uwe h SER 74 CO -0.19 0.54 0.00 -1.54 -1.14 0.00 0.00 176.83 174.50 1uwe n SER 75 N -4.45 3.10 -4.01 3.07 3.41 -1.00 -5.00 113.62 108.75 1uwe n SER 75 Ca 0.08 -2.67 -0.41 0.00 -0.26 0.00 0.00 58.87 55.61 1uwe n SER 75 Cb 0.09 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.67 1uwe n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uwe n SER 76 N -0.47 -3.68 -4.05 4.04 7.64 -0.54 -4.96 113.62 111.59 1uwe n SER 76 Ca 0.15 -1.22 -0.23 0.00 1.01 0.00 0.00 58.87 58.58 1uwe n SER 76 Cb 0.65 -2.12 -0.16 0.00 -1.01 0.00 0.00 64.21 61.57 1uwe n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uwe s THR 77 N -3.62 1.08 0.15 0.44 2.01 -0.83 -4.00 115.64 110.86 1uwe s THR 77 Ca 0.42 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1uwe s THR 77 Cb -0.21 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1uwe s THR 77 CO 0.95 0.33 0.18 0.00 -0.69 0.00 0.00 174.62 175.38 1uwe s ALA 78 N 0.24 3.70 0.02 7.40 0.00 0.12 0.21 121.76 133.45 1uwe s ALA 78 Ca -0.06 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1uwe s ALA 78 Cb -0.11 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1uwe s ALA 78 CO 0.02 0.54 -0.06 0.71 0.00 0.00 0.00 175.76 176.97 1uwe s TYR 79 N -1.72 0.49 -0.09 0.00 2.02 0.57 -0.98 117.35 117.64 1uwe s TYR 79 Ca 0.32 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 1uwe s TYR 79 Cb -0.11 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 1uwe s TYR 79 CO 0.25 -0.07 -0.20 -1.50 -1.57 0.00 0.00 175.55 172.45 1uwe s ILE 80 N -0.91 1.77 -0.27 2.71 2.07 0.36 -1.81 121.20 125.11 1uwe s ILE 80 Ca -0.07 -0.85 -0.05 0.00 -1.41 0.00 0.00 60.65 58.27 1uwe s ILE 80 Cb -0.07 -1.55 0.01 0.00 0.13 0.00 0.00 42.46 40.98 1uwe s ILE 80 CO -0.00 0.50 0.02 -2.28 -1.91 0.00 0.00 174.94 171.27 1uwe s HIS 81 N 0.42 3.09 -0.27 3.50 2.46 0.06 -0.60 115.29 123.95 1uwe s HIS 81 Ca -0.17 -1.08 -0.10 0.00 0.47 0.00 0.00 55.06 54.18 1uwe s HIS 81 Cb -0.17 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 1uwe s HIS 81 CO 0.07 -0.60 0.16 -0.51 -2.47 0.00 0.00 174.74 171.40 1uwe s LEU 82 N 1.46 3.90 0.37 8.88 1.43 -0.42 -1.14 118.68 133.15 1uwe s LEU 82 Ca 0.03 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1uwe s LEU 82 Cb -0.16 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1uwe s LEU 82 CO -0.00 -0.05 0.26 0.20 0.23 0.00 0.00 176.35 176.98 1uwe s ASN 83 N 1.72 4.90 -0.92 2.29 0.01 -0.83 -1.61 114.94 120.50 1uwe s ASN 83 Ca 0.07 -0.75 -0.24 0.00 -0.71 0.00 0.00 52.86 51.23 1uwe s ASN 83 Cb -0.16 -0.70 0.03 0.00 0.41 0.00 0.00 41.25 40.84 1uwe s ASN 83 CO 0.09 -0.46 0.53 -1.20 -1.51 0.00 0.00 177.10 174.55 1uwe n SER 84 N -1.34 -3.29 -4.76 -1.22 7.64 -1.19 -4.81 113.62 104.65 1uwe n SER 84 Ca -0.00 -1.00 -0.40 0.00 1.01 0.00 0.00 58.87 58.47 1uwe n SER 84 Cb 0.62 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.53 1uwe n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uwe s LEU 85 N -6.62 4.49 0.47 -3.43 1.43 -0.79 -4.65 118.68 109.58 1uwe s LEU 85 Ca 0.34 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.78 1uwe s LEU 85 Cb -0.19 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 1uwe s LEU 85 CO 0.76 -0.24 0.07 0.42 0.23 0.00 0.00 176.35 177.59 1uwe s THR 86 N -1.20 0.86 0.46 5.49 -4.23 -1.26 0.10 115.64 115.86 1uwe s THR 86 Ca 0.46 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.17 1uwe s THR 86 Cb -0.32 -2.23 0.24 0.00 1.34 0.00 0.00 72.50 71.52 1uwe s THR 86 CO 0.42 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.32 1uwe h SER 87 N 1.54 0.00 0.32 3.99 4.64 -1.97 -1.26 113.55 120.81 1uwe h SER 87 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1uwe h SER 87 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1uwe h SER 87 CO 0.65 0.14 0.00 -0.62 -0.87 0.00 0.00 176.83 176.13 1uwe n GLU 88 N -4.10 0.06 0.01 4.77 1.02 -1.26 -2.07 120.64 119.07 1uwe n GLU 88 Ca -0.02 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.49 1uwe n GLU 88 Cb 0.22 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.26 1uwe n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uwe n ASP 89 N -1.42 0.64 -4.68 1.62 8.00 -0.47 -4.86 116.55 115.38 1uwe n ASP 89 Ca 0.04 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 1uwe n ASP 89 Cb 0.12 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 1uwe n ASP 89 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1uwe s SER 90 N -3.17 6.53 -0.04 -2.24 0.01 -0.88 -4.87 113.70 109.04 1uwe s SER 90 Ca 0.09 2.57 -0.29 0.00 1.31 0.00 0.00 55.95 59.63 1uwe s SER 90 Cb 0.17 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.94 1uwe s SER 90 CO 0.76 -0.95 1.31 0.00 0.41 0.00 0.00 173.24 174.77 1uwe s ALA 91 N 3.06 -2.54 -0.16 1.44 0.00 -0.38 -4.81 121.76 118.36 1uwe s ALA 91 Ca 0.78 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 1uwe s ALA 91 Cb -0.42 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1uwe s ALA 91 CO 0.35 -1.15 0.12 0.08 0.00 0.00 0.00 175.76 175.16 1uwe s VAL 92 N -2.04 5.34 -0.20 0.00 1.01 -0.51 -0.46 120.40 123.54 1uwe s VAL 92 Ca 0.29 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1uwe s VAL 92 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1uwe s VAL 92 CO -0.02 0.52 -0.05 -0.31 0.00 0.00 0.00 175.10 175.24 1uwe s TYR 93 N -0.20 2.95 -0.13 5.22 1.51 0.71 -0.74 117.35 126.67 1uwe s TYR 93 Ca 0.10 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1uwe s TYR 93 Cb -0.12 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1uwe s TYR 93 CO 0.01 -0.42 0.03 0.71 -1.11 0.00 0.00 175.55 174.77 1uwe s TYR 94 N 1.16 3.21 0.02 2.71 1.51 0.70 -0.79 117.35 125.87 1uwe s TYR 94 Ca 0.02 0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1uwe s TYR 94 Cb -0.14 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1uwe s TYR 94 CO -0.01 0.31 0.13 0.00 -1.11 0.00 0.00 175.55 174.87 1uwe s ALA 96 N -1.32 0.41 0.05 0.00 0.00 0.13 -0.38 121.76 120.65 1uwe s ALA 96 Ca 0.27 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1uwe s ALA 96 Cb -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1uwe s ALA 96 CO 0.19 -0.13 -0.20 0.96 0.00 0.00 0.00 175.76 176.57 1uwe s ILE 97 N -1.87 1.64 0.04 0.00 -4.36 -0.13 -0.95 121.20 115.57 1uwe s ILE 97 Ca -0.09 -1.22 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1uwe s ILE 97 Cb -0.07 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1uwe s ILE 97 CO -0.02 0.17 0.28 0.72 0.24 0.00 0.00 174.94 176.34 1uwe s PHE 98 N -0.83 -0.08 -0.22 1.37 -0.12 -0.78 -1.01 117.98 116.31 1uwe s PHE 98 Ca 0.07 -0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1uwe s PHE 98 Cb -0.09 0.07 0.07 0.00 -0.63 0.00 0.00 43.02 42.44 1uwe s PHE 98 CO 0.02 -0.48 0.06 -0.47 -0.05 0.00 0.00 175.22 174.30 1uwe s TYR 99 N -2.45 0.99 0.00 3.49 5.04 -1.05 -2.70 117.35 120.66 1uwe s TYR 99 Ca -0.06 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 1uwe s TYR 99 Cb -0.01 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 41.22 1uwe s TYR 99 CO -0.03 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 173.94 1uwe n GLY 100 N 5.06 2.08 2.71 8.97 0.00 -1.26 -3.59 105.19 119.16 1uwe n GLY 100 Ca -0.08 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1uwe n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uwe n ASN 100 N 3.16 5.07 -4.85 1.61 3.02 -1.26 -4.99 115.26 117.02 1uwe n ASN 100 Ca 0.00 -3.53 -0.31 0.00 -0.03 0.00 0.00 54.58 50.71 1uwe n ASN 100 Cb 0.00 -0.86 0.03 0.00 -0.61 0.00 0.00 39.78 38.34 1uwe n ASN 100 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1uwe s PHE 100 N -3.04 3.40 -0.26 3.10 -0.12 -1.24 -5.26 117.98 114.56 1uwe s PHE 100 Ca 0.40 1.29 -0.02 0.00 -0.05 0.00 0.00 56.93 58.55 1uwe s PHE 100 Cb 0.16 -2.83 0.13 0.00 -0.63 0.00 0.00 43.02 39.85 1uwe s PHE 100 CO -0.03 -0.97 0.29 0.34 -0.05 0.00 0.00 175.22 174.80 1uwe s ASP 101 N -4.07 1.44 -0.07 1.98 2.15 -1.26 -2.53 116.67 114.31 1uwe s ASP 101 Ca 0.57 -0.51 0.06 0.00 0.43 0.00 0.00 52.55 53.09 1uwe s ASP 101 Cb -0.12 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.04 1uwe s ASP 101 CO 0.54 -0.36 -0.24 -0.47 -0.17 0.00 0.00 175.17 174.46 1uwe s TYR 102 N 2.37 2.47 0.06 -5.34 5.04 -0.18 -4.98 117.35 116.79 1uwe s TYR 102 Ca 0.09 -0.76 0.02 0.00 -2.44 0.00 0.00 57.07 53.98 1uwe s TYR 102 Cb -0.15 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.50 1uwe s TYR 102 CO -0.26 -0.24 0.06 -1.58 -1.34 0.00 0.00 175.55 172.19 1uwe s TRP 103 N -0.08 3.18 0.82 4.97 0.52 -1.26 -0.96 118.94 126.12 1uwe s TRP 103 Ca -0.06 0.09 -0.12 0.00 0.02 0.00 0.00 56.10 56.03 1uwe s TRP 103 Cb -0.14 -1.64 0.09 0.00 -1.15 0.00 0.00 33.47 30.62 1uwe s TRP 103 CO 0.05 0.52 1.13 0.20 0.02 0.00 0.00 176.95 178.87 1uwe s GLY 104 N -2.19 1.60 0.34 0.98 0.00 0.49 -4.75 107.32 103.78 1uwe s GLY 104 Ca 0.27 -0.46 0.25 0.00 0.00 0.00 0.00 44.72 44.78 1uwe s GLY 104 CO 0.19 0.01 1.77 1.46 0.00 0.00 0.00 173.10 176.53 1uwe h GLN 105 N -1.14 0.00 0.00 2.90 1.08 -1.89 -3.44 115.11 112.62 1uwe h GLN 105 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1uwe h GLN 105 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1uwe h GLN 105 CO 0.63 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.92 1uwe n GLY 106 N -0.60 1.01 3.01 3.46 0.00 -1.26 -5.02 105.19 105.78 1uwe n GLY 106 Ca 0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1uwe n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uwe s THR 107 N -2.64 1.42 -0.17 2.61 2.01 0.03 -4.91 115.64 114.00 1uwe s THR 107 Ca 0.00 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1uwe s THR 107 Cb 0.00 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1uwe s THR 107 CO 0.00 0.43 0.82 -0.89 -0.69 0.00 0.00 174.62 174.29 1uwe s THR 108 N 1.35 4.89 -0.13 -0.82 2.01 -1.26 -0.20 115.64 121.47 1uwe s THR 108 Ca 0.01 1.62 0.00 0.00 0.31 0.00 0.00 61.69 63.63 1uwe s THR 108 Cb -0.13 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1uwe s THR 108 CO -0.07 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.06 1uwe s VAL 109 N 2.09 2.89 -0.16 3.82 1.01 0.39 -1.17 120.40 129.28 1uwe s VAL 109 Ca 0.38 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1uwe s VAL 109 Cb -0.17 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1uwe s VAL 109 CO 0.13 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.68 1uwe s THR 110 N 0.41 1.87 -0.34 3.92 2.01 -0.42 -1.25 115.64 121.84 1uwe s THR 110 Ca -0.11 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 1uwe s THR 110 Cb -0.16 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1uwe s THR 110 CO 0.05 0.51 0.41 -0.69 -0.69 0.00 0.00 174.62 174.21 1uwe s VAL 111 N 1.21 5.12 0.01 3.82 1.01 -1.26 -1.12 120.40 129.21 1uwe s VAL 111 Ca 0.01 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1uwe s VAL 111 Cb -0.14 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1uwe s VAL 111 CO -0.09 -0.13 0.40 -0.55 0.00 0.00 0.00 175.10 174.74 1uwe s SER 112 N 1.74 -0.28 0.15 3.32 0.15 -0.23 -4.70 113.70 113.84 1uwe s SER 112 Ca 0.14 0.10 0.24 0.00 0.70 0.00 0.00 55.95 57.12 1uwe s SER 112 Cb -0.16 0.40 0.36 0.00 -1.71 0.00 0.00 66.02 64.90 1uwe s SER 112 CO 0.12 -0.58 1.35 0.77 1.20 0.00 0.00 173.24 176.10 1uwe h SER 113 N 3.30 0.00 -4.33 5.45 4.64 -1.96 -3.30 113.55 117.35 1uwe h SER 113 Ca -0.30 -0.16 -0.51 0.00 -0.47 0.00 0.00 61.79 60.35 1uwe h SER 113 Cb 1.19 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.34 1uwe h SER 113 CO 0.42 0.08 0.40 0.00 -0.87 0.00 0.00 176.83 176.86 1uwe s ALA 114 N -3.18 2.95 0.44 5.18 0.00 -1.26 -5.06 121.76 120.82 1uwe s ALA 114 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 1uwe s ALA 114 Cb 0.12 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1uwe s ALA 114 CO 0.71 -0.81 0.73 -1.12 0.00 0.00 0.00 175.76 175.27 1uwe s SER 115 N -3.87 6.32 0.70 0.00 0.01 -1.26 -5.00 113.70 110.61 1uwe s SER 115 Ca 0.57 0.88 -0.15 0.00 1.31 0.00 0.00 55.95 58.56 1uwe s SER 115 Cb -0.12 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1uwe s SER 115 CO 0.51 -0.48 1.16 0.42 0.41 0.00 0.00 173.24 175.25 1uwe s THR 116 N -2.57 2.78 -0.05 1.44 -4.23 -1.26 -4.89 115.64 106.85 1uwe s THR 116 Ca 0.47 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 61.32 1uwe s THR 116 Cb -0.10 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.88 1uwe s THR 116 CO 0.40 -0.22 0.10 -0.75 -0.54 0.00 0.00 174.62 173.61 1uwe s LYS 117 N -4.02 -0.00 0.57 3.99 2.20 -0.38 -4.95 119.74 117.14 1uwe s LYS 117 Ca 0.70 0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 56.53 1uwe s LYS 117 Cb -0.24 -0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 35.71 1uwe s LYS 117 CO 0.44 -0.25 1.06 0.20 -0.36 0.00 0.00 175.35 176.43 1uwe s GLY 118 N 1.75 2.25 0.59 5.54 0.00 -1.26 -1.07 107.32 115.11 1uwe s GLY 118 Ca -0.02 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.03 1uwe s GLY 118 CO -0.04 0.80 1.05 2.56 0.00 0.00 0.00 173.10 177.46 1uwe s PRO 119 N -3.82 3.38 -0.03 2.90 0.04 -1.26 -4.58 135.00 131.63 1uwe s PRO 119 Ca 0.65 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 1uwe s PRO 119 Cb -0.17 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1uwe s PRO 119 CO 0.32 -0.76 0.25 -1.12 0.04 0.00 0.00 177.00 175.74 1uwe s SER 120 N -2.96 6.51 -0.28 6.66 0.01 -0.05 -4.91 113.70 118.68 1uwe s SER 120 Ca 0.62 0.59 0.02 0.00 1.31 0.00 0.00 55.95 58.50 1uwe s SER 120 Cb -0.15 -2.11 0.08 0.00 0.21 0.00 0.00 66.02 64.05 1uwe s SER 120 CO 0.38 0.31 -0.03 -0.69 0.41 0.00 0.00 173.24 173.62 1uwe s VAL 121 N -1.19 1.92 -0.02 3.43 1.01 -1.26 -0.61 120.40 123.67 1uwe s VAL 121 Ca 0.24 -1.73 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1uwe s VAL 121 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1uwe s VAL 121 CO 0.12 -0.29 0.01 -0.36 0.00 0.00 0.00 175.10 174.58 1uwe s PHE 122 N 1.16 3.11 0.31 5.22 0.08 -0.61 -4.93 117.98 122.33 1uwe s PHE 122 Ca -0.00 0.12 -0.27 0.00 0.12 0.00 0.00 56.93 56.90 1uwe s PHE 122 Cb -0.19 -1.70 -0.10 0.00 -0.57 0.00 0.00 43.02 40.46 1uwe s PHE 122 CO -0.08 0.47 0.97 -1.25 -0.10 0.00 0.00 175.22 175.23 1uwe s PRO 123 N -1.41 4.59 -0.78 0.24 0.04 -1.26 0.32 135.00 136.74 1uwe s PRO 123 Ca 0.18 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 1uwe s PRO 123 Cb -0.11 -2.90 0.20 0.00 0.04 0.00 0.00 34.50 31.73 1uwe s PRO 123 CO 0.09 0.27 0.73 -0.51 0.04 0.00 0.00 177.00 177.61 1uwe s LEU 124 N -1.90 6.63 0.07 -3.56 1.43 0.21 -4.81 118.68 116.75 1uwe s LEU 124 Ca 0.49 -2.52 -0.31 0.00 -1.03 0.00 0.00 54.13 50.76 1uwe s LEU 124 Cb -0.22 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.72 1uwe s LEU 124 CO 0.27 -0.63 1.39 0.00 0.23 0.00 0.00 176.35 177.62 1uwe s ALA 125 N 0.46 3.58 0.50 4.21 0.00 -1.26 -2.15 121.76 127.10 1uwe s ALA 125 Ca 0.16 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 1uwe s ALA 125 Cb -0.13 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1uwe s ALA 125 CO -0.07 -0.72 1.15 -1.25 0.00 0.00 0.00 175.76 174.87 1uwe s PRO 126 N 1.59 3.54 0.13 0.00 0.04 -1.26 -4.80 135.00 134.25 1uwe s PRO 126 Ca 0.64 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 1uwe s PRO 126 Cb -0.35 -2.20 0.07 0.00 0.04 0.00 0.00 34.50 32.07 1uwe s PRO 126 CO 0.29 -0.71 0.89 -1.54 0.04 0.00 0.00 177.00 175.97 1uwe s SER 127 N -1.57 -0.26 0.41 6.66 1.04 -1.26 -3.50 113.70 115.22 1uwe s SER 127 Ca 0.68 -0.30 0.23 0.00 0.48 0.00 0.00 55.95 57.05 1uwe s SER 127 Cb -0.26 0.50 0.81 0.00 0.10 0.00 0.00 66.02 67.16 1uwe s SER 127 CO 0.31 -0.89 0.96 -0.24 0.98 0.00 0.00 173.24 174.35 1uwe n SER 128 N -0.41 0.00 -1.31 7.02 2.88 -1.26 0.45 113.62 120.99 1uwe n SER 128 Ca -0.07 0.58 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 1uwe n SER 128 Cb 0.61 -0.23 0.31 0.00 -0.75 0.00 0.00 64.21 64.15 1uwe n SER 128 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uwe n LYS 129 N -2.85 2.74 -0.92 -1.46 4.76 -1.26 -3.84 118.16 115.34 1uwe n LYS 129 Ca 0.21 -2.63 0.05 0.00 -2.87 0.00 0.00 58.31 53.07 1uwe n LYS 129 Cb 1.17 -1.55 0.11 0.00 -1.84 0.00 0.00 35.03 32.92 1uwe n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1uwe n SER 130 N 1.58 1.35 -3.73 4.39 3.41 1.56 -5.01 113.62 117.17 1uwe n SER 130 Ca 0.24 -2.94 -0.25 0.00 -0.26 0.00 0.00 58.87 55.66 1uwe n SER 130 Cb 0.61 -0.41 -0.17 0.00 -0.26 0.00 0.00 64.21 63.98 1uwe n SER 130 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1uwe s THR 131 N -1.68 0.34 -0.48 6.66 -4.23 -1.07 0.11 115.64 115.30 1uwe s THR 131 Ca 0.33 -0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 1uwe s THR 131 Cb 0.35 -0.69 0.10 0.00 1.34 0.00 0.00 72.50 73.60 1uwe s THR 131 CO -0.10 0.02 0.37 -0.44 -0.54 0.00 0.00 174.62 173.93 1uwe s SER 132 N 1.97 5.90 1.47 3.99 0.01 0.19 -4.95 113.70 122.28 1uwe s SER 132 Ca 0.02 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.62 1uwe s SER 132 Cb -0.14 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1uwe s SER 132 CO -0.07 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1uwe n GLY 133 N 5.06 2.47 0.13 3.44 0.00 -1.26 -1.95 105.19 113.08 1uwe n GLY 133 Ca -0.11 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1uwe n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwe n GLY 134 N 0.00 -0.84 3.77 -0.02 0.00 -1.26 -4.89 105.19 101.94 1uwe n GLY 134 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1uwe n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uwe s THR 135 N -2.81 5.39 0.09 2.61 2.01 -0.82 0.12 115.64 122.23 1uwe s THR 135 Ca 0.14 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1uwe s THR 135 Cb 0.18 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1uwe s THR 135 CO 0.69 0.47 -0.26 0.00 -0.69 0.00 0.00 174.62 174.84 1uwe s ALA 136 N 0.02 2.24 -0.04 7.40 0.00 0.35 0.57 121.76 132.30 1uwe s ALA 136 Ca 0.12 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1uwe s ALA 136 Cb -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1uwe s ALA 136 CO 0.01 0.51 -0.06 0.00 0.00 0.00 0.00 175.76 176.23 1uwe s ALA 137 N -0.96 3.05 0.26 0.00 0.00 0.31 -0.08 121.76 124.34 1uwe s ALA 137 Ca 0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1uwe s ALA 137 Cb -0.10 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 1uwe s ALA 137 CO 0.04 0.60 0.46 -0.48 0.00 0.00 0.00 175.76 176.37 1uwe s LEU 138 N -1.10 0.49 0.00 0.00 0.05 -0.60 -4.05 118.68 113.47 1uwe s LEU 138 Ca 0.15 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.27 1uwe s LEU 138 Cb -0.11 1.63 0.00 0.00 -2.05 0.00 0.00 46.19 45.66 1uwe s LEU 138 CO 0.04 -1.15 0.00 0.61 -0.55 0.00 0.00 176.35 175.30 1uwe n GLY 139 N -0.40 -1.05 2.91 -3.48 0.00 -0.92 0.18 105.19 102.43 1uwe n GLY 139 Ca -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1uwe n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwe s LEU 141 N 0.34 4.47 -0.57 0.00 2.96 0.15 -0.98 118.68 125.05 1uwe s LEU 141 Ca -0.04 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 1uwe s LEU 141 Cb -0.07 -2.33 0.14 0.00 0.50 0.00 0.00 46.19 44.43 1uwe s LEU 141 CO -0.00 -0.35 0.51 -0.69 -1.32 0.00 0.00 176.35 174.50 1uwe s VAL 142 N 2.01 5.10 -0.08 1.68 1.01 0.16 -1.57 120.40 128.71 1uwe s VAL 142 Ca 0.12 -1.68 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 1uwe s VAL 142 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1uwe s VAL 142 CO 0.12 -0.88 0.03 -0.54 0.00 0.00 0.00 175.10 173.83 1uwe s LYS 143 N 1.37 3.04 -0.61 2.72 1.02 0.22 -1.22 119.74 126.27 1uwe s LYS 143 Ca 0.05 -0.39 -0.05 0.00 0.02 0.00 0.00 55.97 55.61 1uwe s LYS 143 Cb -0.27 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1uwe s LYS 143 CO 0.01 0.71 0.64 -0.25 -0.92 0.00 0.00 175.35 175.54 1uwe n ASP 144 N 2.01 -7.65 -4.13 2.83 8.00 -0.51 -0.87 116.55 116.24 1uwe n ASP 144 Ca -0.18 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 1uwe n ASP 144 Cb 0.54 -5.19 -0.10 0.00 -0.02 0.00 0.00 41.12 36.34 1uwe n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1uwe s TYR 145 N -2.85 0.75 -0.28 1.24 1.13 -0.71 -3.98 117.35 112.65 1uwe s TYR 145 Ca 0.08 -0.85 -0.18 0.00 -1.41 0.00 0.00 57.07 54.71 1uwe s TYR 145 Cb -0.02 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.46 1uwe s TYR 145 CO 0.73 -0.19 0.69 0.12 -2.51 0.00 0.00 175.55 174.40 1uwe s PHE 146 N -3.18 -1.00 0.00 -3.49 5.36 -0.24 -0.83 117.98 114.60 1uwe s PHE 146 Ca 0.06 2.08 0.00 0.00 -0.96 0.00 0.00 56.93 58.11 1uwe s PHE 146 Cb 0.02 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 1uwe s PHE 146 CO -0.05 -0.49 0.00 -0.35 -1.46 0.00 0.00 175.22 172.87 1uwe n PRO 147 N 3.94 3.12 -1.74 10.12 -0.04 -1.26 -1.25 135.00 147.89 1uwe n PRO 147 Ca -0.19 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 1uwe n PRO 147 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.10 1uwe n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uwe s GLU 148 N 2.96 2.70 0.00 0.54 2.02 -1.26 -4.79 118.70 120.87 1uwe s GLU 148 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1uwe s GLU 148 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1uwe s GLU 148 CO 0.00 -1.18 0.00 -0.35 0.02 0.00 0.00 175.26 173.75 1uwe n PRO 149 N -3.13 2.68 -3.65 0.39 -0.04 -1.26 -4.85 135.00 125.15 1uwe n PRO 149 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1uwe n PRO 149 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1uwe n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uwe s VAL 150 N 1.79 -0.60 -0.06 0.52 0.11 -1.26 -4.69 120.40 116.21 1uwe s VAL 150 Ca 0.00 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 1uwe s VAL 150 Cb 0.00 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1uwe s VAL 150 CO 0.00 0.00 0.29 0.42 -3.33 0.00 0.00 175.10 172.49 1uwe s THR 151 N 2.40 5.24 -0.09 5.04 -4.23 -0.77 -4.96 115.64 118.27 1uwe s THR 151 Ca -0.07 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1uwe s THR 151 Cb -0.09 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1uwe s THR 151 CO -0.19 0.59 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.58 1uwe s VAL 152 N -1.00 1.81 0.28 2.29 1.01 -1.26 -1.64 120.40 121.88 1uwe s VAL 152 Ca 0.20 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1uwe s VAL 152 Cb -0.15 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1uwe s VAL 152 CO 0.09 0.50 -0.04 -0.94 0.00 0.00 0.00 175.10 174.72 1uwe s SER 153 N 0.45 2.57 -0.08 3.32 1.04 -0.06 -4.94 113.70 116.00 1uwe s SER 153 Ca -0.17 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.07 1uwe s SER 153 Cb -0.17 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.83 1uwe s SER 153 CO 0.07 -0.40 -0.15 0.26 0.98 0.00 0.00 173.24 174.01 1uwe s TRP 154 N -3.11 1.76 -1.47 5.02 0.52 -1.26 0.55 118.94 120.96 1uwe s TRP 154 Ca 0.30 -0.73 -0.09 0.00 0.02 0.00 0.00 56.10 55.60 1uwe s TRP 154 Cb 0.05 -1.27 0.06 0.00 -1.15 0.00 0.00 33.47 31.16 1uwe s TRP 154 CO 0.12 -0.36 0.87 0.09 0.02 0.00 0.00 176.95 177.68 1uwe n ASN 155 N 3.92 -3.48 -1.79 2.95 4.13 0.16 -1.44 115.26 119.71 1uwe n ASN 155 Ca -0.21 -0.81 -0.19 0.00 1.68 0.00 0.00 54.58 55.05 1uwe n ASN 155 Cb 0.52 -3.85 -0.04 0.00 -1.54 0.00 0.00 39.78 34.86 1uwe n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1uwe n SER 156 N -2.90 -5.33 0.00 6.41 7.64 -1.26 -2.50 113.62 115.68 1uwe n SER 156 Ca -0.07 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1uwe n SER 156 Cb 0.58 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 1uwe n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwe n GLY 157 N -0.85 2.44 0.28 0.23 0.00 -0.52 -4.94 105.19 101.83 1uwe n GLY 157 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1uwe n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwe h ALA 158 N 0.00 1.30 -3.15 4.61 0.00 -1.42 -3.40 119.26 117.20 1uwe h ALA 158 Ca 0.00 -0.08 -0.68 0.00 0.00 0.00 0.00 54.91 54.16 1uwe h ALA 158 Cb 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 1uwe h ALA 158 CO 0.00 0.10 -0.67 -1.17 0.00 0.00 0.00 179.25 177.51 1uwe s LEU 159 N -7.24 3.67 0.00 0.00 2.96 -1.04 -4.91 118.68 112.12 1uwe s LEU 159 Ca -0.03 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 1uwe s LEU 159 Cb 0.13 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1uwe s LEU 159 CO 0.56 -0.19 0.00 0.35 -1.32 0.00 0.00 176.35 175.76 1uwe n THR 160 N 4.78 0.00 -2.10 3.68 -2.24 -1.26 -4.26 114.28 112.88 1uwe n THR 160 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1uwe n THR 160 Cb 0.47 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1uwe n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uwe s SER 161 N -3.25 6.74 0.00 3.42 0.15 -1.26 -2.42 113.70 117.08 1uwe s SER 161 Ca 0.00 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1uwe s SER 161 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1uwe s SER 161 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1uwe n GLY 162 N 3.88 0.34 3.71 9.45 0.00 -1.26 -4.71 105.19 116.60 1uwe n GLY 162 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1uwe n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwe s VAL 163 N -2.10 4.33 -0.12 1.61 1.01 -1.01 -3.06 120.40 121.06 1uwe s VAL 163 Ca 0.00 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.68 1uwe s VAL 163 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1uwe s VAL 163 CO 0.00 0.14 -0.14 -1.00 0.00 0.00 0.00 175.10 174.10 1uwe s HIS 164 N 0.98 1.94 -0.30 5.22 3.76 0.86 -5.00 115.29 122.75 1uwe s HIS 164 Ca 0.56 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1uwe s HIS 164 Cb -0.26 -1.42 0.07 0.00 1.11 0.00 0.00 32.58 32.07 1uwe s HIS 164 CO 0.29 -0.52 -0.03 0.99 -0.85 0.00 0.00 174.74 174.62 1uwe s THR 165 N 1.17 2.40 0.50 1.30 2.01 -1.26 -0.57 115.64 121.19 1uwe s THR 165 Ca -0.03 -1.81 -0.21 0.00 0.31 0.00 0.00 61.69 59.95 1uwe s THR 165 Cb -0.14 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.78 1uwe s THR 165 CO -0.04 -0.23 1.15 -0.36 -0.69 0.00 0.00 174.62 174.45 1uwe s PHE 166 N 1.07 2.77 0.35 4.92 0.08 -0.69 -4.94 117.98 121.55 1uwe s PHE 166 Ca -0.02 1.54 -0.27 0.00 0.12 0.00 0.00 56.93 58.30 1uwe s PHE 166 Cb -0.20 -3.35 -0.12 0.00 -0.57 0.00 0.00 43.02 38.78 1uwe s PHE 166 CO -0.05 -1.57 1.09 -0.35 -0.10 0.00 0.00 175.22 174.24 1uwe n PRO 167 N -0.85 1.57 -1.96 0.24 -0.04 -1.26 -4.67 135.00 128.03 1uwe n PRO 167 Ca 0.09 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 1uwe n PRO 167 Cb 0.49 -2.05 0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1uwe n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uwe s ALA 168 N -1.15 2.99 0.03 0.55 0.00 -1.26 -4.82 121.76 118.10 1uwe s ALA 168 Ca 0.59 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.82 1uwe s ALA 168 Cb -0.61 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 1uwe s ALA 168 CO 0.59 -1.06 -0.13 0.08 0.00 0.00 0.00 175.76 175.24 1uwe s VAL 169 N -1.35 1.06 0.23 0.00 1.01 -0.38 -4.93 120.40 116.04 1uwe s VAL 169 Ca 0.65 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 1uwe s VAL 169 Cb -0.37 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 1uwe s VAL 169 CO 0.45 0.05 0.77 -0.76 0.00 0.00 0.00 175.10 175.61 1uwe s LEU 170 N -0.97 4.39 0.53 3.92 1.43 -1.26 -0.71 118.68 126.02 1uwe s LEU 170 Ca 0.02 1.53 0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1uwe s LEU 170 Cb -0.07 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.60 1uwe s LEU 170 CO 0.01 0.05 0.61 -1.10 0.23 0.00 0.00 176.35 176.15 1uwe s GLN 171 N -1.82 2.37 0.60 1.70 -0.21 -0.29 -4.94 119.66 117.06 1uwe s GLN 171 Ca 0.43 -1.71 0.38 0.00 0.02 0.00 0.00 55.36 54.48 1uwe s GLN 171 Cb -0.18 -2.47 1.80 0.00 1.00 0.00 0.00 33.01 33.16 1uwe s GLN 171 CO 0.22 -0.66 2.14 0.66 -2.12 0.00 0.00 175.29 175.54 1uwe h SER 172 N 0.48 0.00 1.26 5.90 4.64 -1.98 -1.83 113.55 122.02 1uwe h SER 172 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1uwe h SER 172 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1uwe h SER 172 CO 0.48 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 177.22 1uwe h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 1uwe h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uwe h SER 173 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1uwe h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1uwe n GLY 174 N 0.64 0.67 3.94 -0.77 0.00 -0.69 -5.06 105.19 103.92 1uwe n GLY 174 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1uwe n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwe s LEU 175 N 0.00 4.29 0.39 0.99 1.02 -1.26 -4.84 118.68 119.27 1uwe s LEU 175 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.35 1uwe s LEU 175 Cb 0.00 -3.01 -0.05 0.00 0.02 0.00 0.00 46.19 43.15 1uwe s LEU 175 CO 0.00 -0.00 0.68 -0.31 0.02 0.00 0.00 176.35 176.74 1uwe s TYR 176 N -1.82 3.51 -0.04 0.29 2.02 -0.01 -1.13 117.35 120.16 1uwe s TYR 176 Ca 0.36 0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 57.66 1uwe s TYR 176 Cb -0.11 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1uwe s TYR 176 CO 0.29 -0.06 0.31 0.45 -1.57 0.00 0.00 175.55 174.97 1uwe s SER 177 N -3.66 -0.22 0.19 2.29 0.15 0.12 -1.42 113.70 111.14 1uwe s SER 177 Ca 0.46 0.24 -0.16 0.00 0.70 0.00 0.00 55.95 57.19 1uwe s SER 177 Cb -0.10 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1uwe s SER 177 CO 0.37 -0.35 0.48 -1.48 1.20 0.00 0.00 173.24 173.46 1uwe s LEU 178 N -0.89 0.23 0.12 3.45 0.05 -0.35 -1.24 118.68 120.03 1uwe s LEU 178 Ca -0.10 -0.55 0.09 0.00 0.05 0.00 0.00 54.13 53.63 1uwe s LEU 178 Cb -0.05 1.98 -0.04 0.00 -2.05 0.00 0.00 46.19 46.04 1uwe s LEU 178 CO 0.03 -1.03 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.13 1uwe s SER 179 N -2.89 2.86 -0.12 1.48 0.01 -1.26 0.40 113.70 114.19 1uwe s SER 179 Ca 0.11 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1uwe s SER 179 Cb -0.00 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1uwe s SER 179 CO -0.02 0.10 -0.13 -0.55 0.41 0.00 0.00 173.24 173.05 1uwe s SER 180 N -2.01 2.43 0.23 2.44 0.15 -0.16 -1.70 113.70 115.08 1uwe s SER 180 Ca 0.10 -0.42 0.11 0.00 0.70 0.00 0.00 55.95 56.44 1uwe s SER 180 Cb -0.10 -1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.10 1uwe s SER 180 CO 0.05 -0.03 -0.21 0.68 1.20 0.00 0.00 173.24 174.93 1uwe s VAL 181 N 1.25 2.33 0.04 4.45 -7.23 0.27 -0.52 120.40 120.99 1uwe s VAL 181 Ca -0.01 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1uwe s VAL 181 Cb -0.14 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1uwe s VAL 181 CO -0.05 -0.27 -0.09 0.54 -0.31 0.00 0.00 175.10 174.91 1uwe s VAL 182 N -2.11 0.70 -0.14 1.32 0.11 0.13 -0.10 120.40 120.30 1uwe s VAL 182 Ca 0.24 -1.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1uwe s VAL 182 Cb -0.06 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1uwe s VAL 182 CO 0.12 -0.27 0.03 -0.89 -3.33 0.00 0.00 175.10 170.75 1uwe s THR 183 N -1.19 4.50 0.04 5.04 2.01 -1.17 -1.56 115.64 123.31 1uwe s THR 183 Ca -0.06 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 1uwe s THR 183 Cb -0.09 -2.97 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 1uwe s THR 183 CO 0.01 0.53 0.15 0.68 -0.69 0.00 0.00 174.62 175.29 1uwe s VAL 184 N -0.17 0.12 -0.01 3.82 -7.23 0.89 -4.75 120.40 113.07 1uwe s VAL 184 Ca 0.06 -1.02 -0.34 0.00 -1.81 0.00 0.00 61.98 58.87 1uwe s VAL 184 Cb -0.12 -0.95 -0.12 0.00 0.56 0.00 0.00 36.38 35.74 1uwe s VAL 184 CO 0.02 -0.57 1.81 -2.65 -0.31 0.00 0.00 175.10 173.40 1uwe n PRO 185 N 0.64 2.22 0.25 4.82 -0.02 -1.26 0.13 135.00 141.78 1uwe n PRO 185 Ca -0.18 0.81 0.17 0.00 -2.02 0.00 0.00 63.50 62.27 1uwe n PRO 185 Cb 0.59 -2.64 0.86 0.00 -0.02 0.00 0.00 33.50 32.28 1uwe n PRO 185 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uwe h SER 186 N 8.40 0.00 1.47 2.55 4.64 0.57 -0.71 113.55 130.47 1uwe h SER 186 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1uwe h SER 186 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1uwe h SER 186 CO 0.93 0.00 -0.53 0.28 -0.87 0.00 0.00 176.83 176.64 1uwe h SER 187 N 0.00 0.00 1.06 4.97 0.02 -1.89 -3.21 113.55 114.51 1uwe h SER 187 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1uwe h SER 187 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1uwe h SER 187 CO 0.00 0.50 -0.34 0.77 -1.14 0.00 0.00 176.83 176.62 1uwe h SER 188 N 0.00 0.00 -0.80 3.07 4.64 -1.50 -3.34 113.55 115.63 1uwe h SER 188 Ca -0.01 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.54 1uwe h SER 188 Cb 1.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.45 1uwe h SER 188 CO 0.06 0.34 0.97 0.18 -0.87 0.00 0.00 176.83 177.52 1uwe n LEU 189 N -3.39 0.00 -2.10 5.97 4.32 -1.21 0.00 117.00 120.58 1uwe n LEU 189 Ca 0.01 0.60 -0.25 0.00 -0.02 0.00 0.00 56.01 56.35 1uwe n LEU 189 Cb 0.54 -0.20 0.02 0.00 -1.62 0.00 0.00 43.42 42.15 1uwe n LEU 189 CO 0.36 -0.60 0.19 0.61 -1.22 0.00 0.00 177.39 176.74 1uwe n GLY 190 N -1.52 6.34 1.84 -0.72 0.00 -1.25 -4.83 105.19 105.05 1uwe n GLY 190 Ca 0.18 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.51 1uwe n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uwe n THR 191 N -0.67 0.07 -4.20 2.61 -1.04 0.10 -5.09 114.28 106.07 1uwe n THR 191 Ca 0.43 0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 62.12 1uwe n THR 191 Cb 0.91 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.97 1uwe n THR 191 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uwe s GLN 192 N -1.37 3.66 0.65 -2.82 0.00 -1.25 -5.09 119.66 113.44 1uwe s GLN 192 Ca 0.00 -0.40 -0.16 0.00 -0.00 0.00 0.00 55.36 54.80 1uwe s GLN 192 Cb 0.00 -3.03 -0.00 0.00 0.00 0.00 0.00 33.01 29.97 1uwe s GLN 192 CO 0.00 0.38 1.16 0.95 0.00 0.00 0.00 175.29 177.77 1uwe s THR 193 N 0.04 2.86 -0.25 3.63 -4.23 -1.26 -4.88 115.64 111.54 1uwe s THR 193 Ca 0.03 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1uwe s THR 193 Cb -0.13 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.73 1uwe s THR 193 CO 0.02 -0.20 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.49 1uwe s TYR 194 N -2.03 3.13 -0.11 3.99 2.02 -1.26 -4.96 117.35 118.14 1uwe s TYR 194 Ca 0.72 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.52 1uwe s TYR 194 Cb -0.25 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1uwe s TYR 194 CO 0.39 -0.82 -0.23 0.42 -1.57 0.00 0.00 175.55 173.74 1uwe s ILE 195 N 1.22 2.07 -0.14 2.71 1.01 -1.26 -0.82 121.20 125.99 1uwe s ILE 195 Ca -0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1uwe s ILE 195 Cb -0.18 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1uwe s ILE 195 CO -0.05 0.56 0.22 0.00 0.00 0.00 0.00 174.94 175.66 1uwe s ASN 197 N -0.20 5.59 -0.21 0.00 -0.87 0.19 -2.02 114.94 117.42 1uwe s ASN 197 Ca 0.15 -1.06 -0.06 0.00 -1.57 0.00 0.00 52.86 50.32 1uwe s ASN 197 Cb -0.13 -1.97 -0.03 0.00 -0.02 0.00 0.00 41.25 39.11 1uwe s ASN 197 CO 0.03 -0.37 0.02 -0.69 -2.57 0.00 0.00 177.10 173.52 1uwe s VAL 198 N 1.50 4.09 -0.04 1.60 1.01 -0.13 -0.88 120.40 127.55 1uwe s VAL 198 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1uwe s VAL 198 Cb -0.19 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1uwe s VAL 198 CO 0.05 0.42 -0.20 0.21 0.00 0.00 0.00 175.10 175.58 1uwe s ASN 199 N 1.03 2.42 -0.34 3.32 3.04 -0.66 -0.60 114.94 123.15 1uwe s ASN 199 Ca 0.02 -0.39 -0.01 0.00 0.04 0.00 0.00 52.86 52.52 1uwe s ASN 199 Cb -0.14 -0.60 0.12 0.00 -1.54 0.00 0.00 41.25 39.09 1uwe s ASN 199 CO 0.02 0.19 0.18 -2.28 -3.04 0.00 0.00 177.10 172.17 1uwe s HIS 200 N -0.10 0.89 0.25 0.43 5.65 -0.42 -1.84 115.29 120.15 1uwe s HIS 200 Ca -0.02 -1.53 -0.04 0.00 0.25 0.00 0.00 55.06 53.72 1uwe s HIS 200 Cb -0.11 -1.13 0.29 0.00 -1.18 0.00 0.00 32.58 30.44 1uwe s HIS 200 CO 0.02 -0.83 1.79 0.87 -0.65 0.00 0.00 174.74 175.94 1uwe h LYS 201 N 7.50 0.96 -0.31 2.88 1.57 -1.83 -1.64 116.57 125.70 1uwe h LYS 201 Ca -0.05 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1uwe h LYS 201 Cb 0.98 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1uwe h LYS 201 CO 0.37 0.85 0.31 -1.35 -0.57 0.00 0.00 179.45 179.06 1uwe h PRO 202 N 0.93 0.00 -0.00 3.15 0.11 -1.91 -0.42 132.00 133.85 1uwe h PRO 202 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1uwe h PRO 202 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1uwe h PRO 202 CO -0.00 0.00 -0.21 -1.13 -0.21 0.00 0.00 178.00 176.45 1uwe n SER 203 N -3.87 0.87 -2.30 -2.05 3.41 -1.06 -4.94 113.62 103.67 1uwe n SER 203 Ca 0.05 -0.93 -0.16 0.00 -0.26 0.00 0.00 58.87 57.56 1uwe n SER 203 Cb 0.47 0.61 0.03 0.00 -0.26 0.00 0.00 64.21 65.06 1uwe n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uwe n ASN 204 N -0.53 -4.92 -4.59 4.04 3.02 -0.17 -4.95 115.26 107.16 1uwe n ASN 204 Ca 0.03 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 1uwe n ASN 204 Cb 0.15 -3.75 -0.09 0.00 -0.61 0.00 0.00 39.78 35.48 1uwe n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1uwe s THR 205 N -3.03 5.17 -0.29 3.41 2.01 -0.91 -4.99 115.64 117.01 1uwe s THR 205 Ca 0.24 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1uwe s THR 205 Cb -0.11 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.76 1uwe s THR 205 CO 0.30 0.11 -0.01 0.00 -0.69 0.00 0.00 174.62 174.32 1uwe s ALA 206 N 2.07 2.38 -0.09 7.40 0.00 -1.26 -1.30 121.76 130.96 1uwe s ALA 206 Ca 0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 50.18 1uwe s ALA 206 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1uwe s ALA 206 CO 0.10 -1.42 0.02 0.08 0.00 0.00 0.00 175.76 174.54 1uwe s VAL 207 N 1.18 4.45 -0.38 0.00 1.01 0.23 -5.00 120.40 121.89 1uwe s VAL 207 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1uwe s VAL 207 Cb -0.19 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.42 1uwe s VAL 207 CO -0.09 0.61 0.14 -1.81 0.00 0.00 0.00 175.10 173.95 1uwe s ASP 208 N -0.91 4.20 -0.21 3.32 1.01 -1.26 -0.96 116.67 121.87 1uwe s ASP 208 Ca 0.14 -2.22 -0.11 0.00 0.71 0.00 0.00 52.55 51.06 1uwe s ASP 208 Cb -0.11 -1.24 -0.05 0.00 1.01 0.00 0.00 42.92 42.53 1uwe s ASP 208 CO 0.03 -0.34 0.18 -0.75 0.21 0.00 0.00 175.17 174.49 1uwe s LYS 209 N 0.84 4.16 -0.18 8.23 2.47 -0.86 -4.94 119.74 129.46 1uwe s LYS 209 Ca 0.13 -0.17 -0.19 0.00 -1.56 0.00 0.00 55.97 54.18 1uwe s LYS 209 Cb -0.21 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.66 1uwe s LYS 209 CO -0.10 0.19 0.56 0.00 0.16 0.00 0.00 175.35 176.15 1uwe s ALA 210 N 0.67 3.52 -0.28 3.13 0.00 -1.26 -1.41 121.76 126.12 1uwe s ALA 210 Ca 0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1uwe s ALA 210 Cb -0.12 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1uwe s ALA 210 CO 0.02 -0.38 0.11 0.14 0.00 0.00 0.00 175.76 175.65 1uwe s VAL 211 N 1.48 4.41 0.12 0.00 -7.23 0.00 -4.95 120.40 114.24 1uwe s VAL 211 Ca 0.27 -0.34 0.09 0.00 -1.81 0.00 0.00 61.98 60.19 1uwe s VAL 211 Cb -0.16 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1uwe s VAL 211 CO 0.11 0.19 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.26 1uwe s GLU 212 N 1.60 1.20 0.33 4.82 2.02 -1.26 -4.34 118.70 123.07 1uwe s GLU 212 Ca 0.05 -1.25 -0.25 0.00 0.02 0.00 0.00 54.97 53.54 1uwe s GLU 212 Cb -0.16 -1.46 -0.15 0.00 0.10 0.00 0.00 34.13 32.46 1uwe s GLU 212 CO 0.05 0.33 0.56 -2.30 0.02 0.00 0.00 175.26 173.92 1uwe n PRO 213 N 0.87 0.48 -2.18 0.39 -0.02 -1.26 -4.58 135.00 128.70 1uwe n PRO 213 Ca -0.18 0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1uwe n PRO 213 Cb 0.54 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 1uwe n PRO 213 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uwe s LYS 214 N -1.33 4.41 0.28 -0.52 2.36 -1.23 -4.98 119.74 118.74 1uwe s LYS 214 Ca 0.62 2.13 0.02 0.00 -2.55 0.00 0.00 55.97 56.19 1uwe s LYS 214 Cb -0.72 -3.10 -0.04 0.00 -1.05 0.00 0.00 37.83 32.91 1uwe s LYS 214 CO 0.59 -0.13 0.13 -1.12 1.55 0.00 0.00 175.35 176.36 1uwe s SER 215 N -0.45 1.40 0.00 1.43 0.01 -1.26 -5.07 113.70 109.77 1uwe s SER 215 Ca 0.49 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1uwe s SER 215 Cb -0.38 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1uwe s SER 215 CO 0.49 -0.81 0.00 0.00 0.41 0.00 0.00 173.24 173.33