#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwe s THR 7 N 0.00 2.20 -0.58 5.09 -4.23 -1.26 -5.07 115.64 111.80 3fwe s THR 7 Ca 0.00 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 3fwe s THR 7 Cb 0.00 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 71.02 3fwe s THR 7 CO 0.00 0.00 0.37 -0.62 -0.54 0.00 0.00 174.62 173.83 3fwe s ASP 8 N -4.57 4.10 0.20 3.99 -1.08 -1.26 -4.99 116.67 113.06 3fwe s ASP 8 Ca 0.62 -3.34 -0.11 0.00 -0.52 0.00 0.00 52.55 49.20 3fwe s ASP 8 Cb -0.10 -1.39 0.14 0.00 -1.46 0.00 0.00 42.92 40.11 3fwe s ASP 8 CO 0.46 -0.16 1.84 -0.65 0.52 0.00 0.00 175.17 177.18 3fwe h PRO 9 N 5.93 0.98 -0.51 4.34 0.11 -1.99 -2.58 132.00 138.28 3fwe h PRO 9 Ca 0.08 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.12 3fwe h PRO 9 Cb 0.84 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 3fwe h PRO 9 CO 0.63 0.70 0.29 1.15 -0.21 0.00 0.00 178.00 180.57 3fwe h THR 10 N 0.99 1.03 0.21 -1.15 2.02 -1.99 -1.49 112.91 112.53 3fwe h THR 10 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3fwe h THR 10 Cb -0.02 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3fwe h THR 10 CO -0.05 0.11 -0.10 0.25 0.37 0.00 0.00 175.52 176.10 3fwe h LEU 11 N 0.58 -0.24 -1.43 2.58 6.46 -1.93 -1.42 115.31 119.91 3fwe h LEU 11 Ca 0.21 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 3fwe h LEU 11 Cb 0.04 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3fwe h LEU 11 CO -0.10 -0.02 -0.28 1.05 -0.62 0.00 0.00 178.44 178.47 3fwe h GLU 12 N -0.47 0.00 0.60 1.25 4.11 -1.45 0.22 114.58 118.84 3fwe h GLU 12 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 3fwe h GLU 12 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3fwe h GLU 12 CO 0.05 0.28 -0.29 2.35 0.07 0.00 0.00 179.01 181.47 3fwe h TRP 13 N 0.00 -0.75 -0.67 2.06 7.01 -1.16 -2.29 115.95 120.16 3fwe h TRP 13 Ca -0.00 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.10 3fwe h TRP 13 Cb 0.56 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.79 3fwe h TRP 13 CO 0.00 -0.45 0.23 0.35 -2.79 0.00 0.00 178.44 175.78 3fwe h PHE 14 N -0.83 0.40 -0.22 2.65 3.57 -0.59 -2.72 116.94 119.18 3fwe h PHE 14 Ca -0.08 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3fwe h PHE 14 Cb 0.63 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3fwe h PHE 14 CO -0.03 0.06 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.94 3fwe h LEU 15 N 0.39 0.33 -2.15 0.59 4.07 -0.55 -1.83 115.31 116.16 3fwe h LEU 15 Ca 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3fwe h LEU 15 Cb 0.49 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3fwe h LEU 15 CO -0.37 0.47 -0.05 0.77 -1.08 0.00 0.00 178.44 178.18 3fwe h SER 16 N 0.34 0.00 -0.05 -0.43 4.64 -1.08 -1.09 113.55 115.87 3fwe h SER 16 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3fwe h SER 16 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3fwe h SER 16 CO 0.02 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.44 3fwe n HIS 17 N -3.37 0.05 -4.19 4.77 8.25 -0.69 -4.93 115.22 115.11 3fwe n HIS 17 Ca -0.02 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.16 3fwe n HIS 17 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 3fwe n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fwe s HIS 19 N -1.76 3.22 -0.31 0.00 3.76 0.02 -4.83 115.29 115.39 3fwe s HIS 19 Ca 0.28 0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 55.58 3fwe s HIS 19 Cb -0.09 -2.91 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 3fwe s HIS 19 CO 0.20 -0.44 0.21 0.42 -0.85 0.00 0.00 174.74 174.28 3fwe s ILE 20 N 2.48 5.21 0.12 0.60 -1.09 -1.26 -0.98 121.20 126.28 3fwe s ILE 20 Ca 0.23 -0.10 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 3fwe s ILE 20 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3fwe s ILE 20 CO 0.11 0.10 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.72 3fwe s HIS 21 N 1.72 1.85 -0.17 3.97 3.76 -0.42 -4.95 115.29 121.05 3fwe s HIS 21 Ca 0.06 -0.43 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 3fwe s HIS 21 Cb -0.17 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.50 3fwe s HIS 21 CO 0.10 0.25 0.02 0.15 -0.85 0.00 0.00 174.74 174.41 3fwe s LYS 22 N -2.13 3.84 -0.16 1.40 1.02 -1.26 -0.93 119.74 121.51 3fwe s LYS 22 Ca 0.09 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.67 3fwe s LYS 22 Cb -0.09 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3fwe s LYS 22 CO 0.05 0.25 -0.19 0.71 -0.92 0.00 0.00 175.35 175.25 3fwe s TYR 23 N 0.38 2.75 0.74 3.18 2.02 -0.15 -5.00 117.35 121.27 3fwe s TYR 23 Ca -0.00 -1.40 -0.14 0.00 -0.37 0.00 0.00 57.07 55.16 3fwe s TYR 23 Cb -0.13 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 3fwe s TYR 23 CO 0.01 -0.67 1.17 -1.25 -1.57 0.00 0.00 175.55 173.24 3fwe s PRO 24 N 1.06 2.15 0.48 -1.71 0.04 -1.26 -1.40 135.00 134.37 3fwe s PRO 24 Ca -0.01 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 3fwe s PRO 24 Cb -0.14 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3fwe s PRO 24 CO -0.06 -1.79 1.25 -1.13 0.04 0.00 0.00 177.00 175.30 3fwe n SER 25 N -2.91 2.32 0.00 6.66 3.41 -1.25 -2.41 113.62 119.44 3fwe n SER 25 Ca 0.12 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 3fwe n SER 25 Cb 0.51 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 3fwe n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fwe n LYS 26 N -0.39 0.00 -2.66 4.33 5.02 0.20 -4.96 118.16 119.70 3fwe n LYS 26 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 3fwe n LYS 26 Cb 0.42 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3fwe n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fwe s SER 27 N -3.74 6.97 -0.21 4.39 1.04 -1.01 -4.73 113.70 116.41 3fwe s SER 27 Ca 0.00 1.92 -0.22 0.00 0.48 0.00 0.00 55.95 58.14 3fwe s SER 27 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 3fwe s SER 27 CO 0.00 -0.34 0.68 -0.89 0.98 0.00 0.00 173.24 173.68 3fwe s THR 28 N -1.72 4.97 -0.13 2.02 2.01 -1.26 -1.25 115.64 120.28 3fwe s THR 28 Ca 0.56 1.28 -0.23 0.00 0.31 0.00 0.00 61.69 63.61 3fwe s THR 28 Cb -0.19 -3.99 -0.26 0.00 0.01 0.00 0.00 72.50 68.07 3fwe s THR 28 CO 0.24 0.06 0.63 -0.07 -0.69 0.00 0.00 174.62 174.79 3fwe h LEU 29 N 8.51 0.16 -8.00 4.42 4.07 -0.87 -3.47 115.31 120.12 3fwe h LEU 29 Ca -0.29 -0.86 -0.47 0.00 0.08 0.00 0.00 57.88 56.34 3fwe h LEU 29 Cb 1.13 -0.05 -0.32 0.00 1.08 0.00 0.00 40.66 42.50 3fwe h LEU 29 CO 0.79 1.30 -0.80 -0.63 -1.08 0.00 0.00 178.44 178.03 3fwe s ILE 30 N -2.34 0.96 0.04 1.22 1.01 -1.05 -4.98 121.20 116.06 3fwe s ILE 30 Ca -0.20 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3fwe s ILE 30 Cb 0.01 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3fwe s ILE 30 CO 0.71 0.30 0.23 -1.00 0.00 0.00 0.00 174.94 175.18 3fwe s HIS 31 N 0.35 3.53 0.24 3.97 3.76 -1.26 -0.86 115.29 125.02 3fwe s HIS 31 Ca -0.07 0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 3fwe s HIS 31 Cb -0.11 -1.85 -0.10 0.00 1.11 0.00 0.00 32.58 31.62 3fwe s HIS 31 CO 0.02 0.59 1.45 -1.14 -0.85 0.00 0.00 174.74 174.81 3fwe s GLN 32 N -2.22 4.26 0.00 1.40 0.74 -1.26 -2.86 119.66 119.72 3fwe s GLN 32 Ca 0.32 2.30 0.00 0.00 0.05 0.00 0.00 55.36 58.03 3fwe s GLN 32 Cb -0.13 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.87 3fwe s GLN 32 CO 0.23 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 3fwe n GLY 33 N 2.34 1.94 3.74 2.59 0.00 0.13 -4.97 105.19 110.96 3fwe n GLY 33 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3fwe n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fwe n GLU 34 N -2.00 2.44 -1.74 1.61 1.02 -1.14 -4.48 120.64 116.35 3fwe n GLU 34 Ca 0.00 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.58 3fwe n GLU 34 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 31.44 28.86 3fwe n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3fwe s LYS 35 N -1.84 4.14 -0.56 3.49 -0.14 -1.26 -0.66 119.74 122.91 3fwe s LYS 35 Ca 0.55 2.57 -0.26 0.00 -1.36 0.00 0.00 55.97 57.48 3fwe s LYS 35 Cb -0.52 -3.46 0.04 0.00 -1.68 0.00 0.00 37.83 32.21 3fwe s LYS 35 CO 0.62 -0.80 1.04 0.00 -0.76 0.00 0.00 175.35 175.44 3fwe s ALA 36 N 2.31 3.10 0.00 5.17 0.00 -0.01 -4.73 121.76 127.60 3fwe s ALA 36 Ca 0.79 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3fwe s ALA 36 Cb -0.46 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 18.80 3fwe s ALA 36 CO 0.35 -2.48 0.37 -0.85 0.00 0.00 0.00 175.76 173.14 3fwe n GLU 37 N 7.84 0.00 -4.53 0.00 0.28 -1.26 -4.79 120.64 118.18 3fwe n GLU 37 Ca 0.05 -0.37 -0.22 0.00 -0.16 0.00 0.00 57.16 56.46 3fwe n GLU 37 Cb 0.48 -0.50 -0.16 0.00 1.43 0.00 0.00 31.44 32.70 3fwe n GLU 37 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3fwe s THR 38 N -0.00 0.98 -0.13 3.84 2.01 -1.26 -1.74 115.64 119.34 3fwe s THR 38 Ca 0.00 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 3fwe s THR 38 Cb 0.00 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3fwe s THR 38 CO 0.00 0.29 0.12 -0.22 -0.69 0.00 0.00 174.62 174.12 3fwe s LEU 39 N 0.11 4.25 0.09 4.42 2.96 0.13 -4.75 118.68 125.88 3fwe s LEU 39 Ca -0.03 0.39 0.09 0.00 -0.22 0.00 0.00 54.13 54.36 3fwe s LEU 39 Cb -0.09 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3fwe s LEU 39 CO 0.01 0.37 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.89 3fwe s TYR 40 N -0.81 2.47 -0.05 5.38 2.02 -0.47 -1.30 117.35 124.59 3fwe s TYR 40 Ca 0.14 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 3fwe s TYR 40 Cb -0.12 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.09 3fwe s TYR 40 CO 0.03 0.31 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.77 3fwe s TYR 41 N -1.02 1.01 -0.52 2.71 6.14 0.63 -0.92 117.35 125.38 3fwe s TYR 41 Ca 0.15 -0.32 -0.25 0.00 0.64 0.00 0.00 57.07 57.30 3fwe s TYR 41 Cb -0.10 -0.79 0.03 0.00 0.42 0.00 0.00 41.96 41.52 3fwe s TYR 41 CO 0.07 -0.20 0.96 0.42 0.64 0.00 0.00 175.55 177.45 3fwe s ILE 42 N 0.68 4.38 -0.06 3.14 1.01 -0.46 0.57 121.20 130.45 3fwe s ILE 42 Ca -0.11 0.55 -0.26 0.00 0.00 0.00 0.00 60.65 60.83 3fwe s ILE 42 Cb -0.14 -4.52 -0.22 0.00 0.01 0.00 0.00 42.46 37.59 3fwe s ILE 42 CO 0.01 -1.02 1.06 0.58 0.00 0.00 0.00 174.94 175.57 3fwe h VAL 43 N 6.06 1.55 -3.68 2.92 2.07 -0.91 -1.62 116.25 122.63 3fwe h VAL 43 Ca -0.25 -1.72 -0.16 0.00 0.82 0.00 0.00 66.70 65.39 3fwe h VAL 43 Cb 1.07 2.67 -0.21 0.00 -1.52 0.00 0.00 31.29 33.30 3fwe h VAL 43 CO 1.07 0.46 -0.57 -0.54 0.02 0.00 0.00 177.57 178.01 3fwe s LYS 44 N -3.36 0.41 0.24 1.57 -0.14 -0.91 -4.70 119.74 112.86 3fwe s LYS 44 Ca -0.17 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3fwe s LYS 44 Cb 0.00 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.32 3fwe s LYS 44 CO 0.70 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.61 3fwe n GLY 45 N 1.55 -2.21 3.07 -3.33 0.00 -1.26 -1.01 105.19 101.99 3fwe n GLY 45 Ca -0.23 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 3fwe n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fwe s SER 46 N -3.29 1.01 0.19 1.61 1.04 -1.26 -2.36 113.70 110.63 3fwe s SER 46 Ca 0.00 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.01 3fwe s SER 46 Cb 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 3fwe s SER 46 CO 0.00 -0.13 -0.14 0.68 0.98 0.00 0.00 173.24 174.63 3fwe s VAL 47 N -1.15 1.67 -0.11 5.02 -7.23 0.49 -0.97 120.40 118.12 3fwe s VAL 47 Ca -0.06 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 3fwe s VAL 47 Cb -0.09 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 3fwe s VAL 47 CO 0.01 -0.59 -0.12 0.00 -0.31 0.00 0.00 175.10 174.08 3fwe s ALA 48 N -2.94 2.70 -0.32 1.32 0.00 0.52 -0.87 121.76 122.17 3fwe s ALA 48 Ca 0.21 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 3fwe s ALA 48 Cb -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 3fwe s ALA 48 CO 0.06 0.32 0.26 0.08 0.00 0.00 0.00 175.76 176.49 3fwe s VAL 49 N 0.08 5.26 0.05 0.00 1.01 0.25 -1.54 120.40 125.51 3fwe s VAL 49 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3fwe s VAL 49 Cb -0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3fwe s VAL 49 CO 0.04 0.07 -0.12 -1.48 0.00 0.00 0.00 175.10 173.61 3fwe s LEU 50 N 1.83 2.23 0.42 3.92 0.05 -0.40 0.08 118.68 126.80 3fwe s LEU 50 Ca 0.08 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 53.79 3fwe s LEU 50 Cb -0.17 -0.42 -0.05 0.00 -2.05 0.00 0.00 46.19 43.50 3fwe s LEU 50 CO 0.11 -0.08 0.03 0.27 -0.55 0.00 0.00 176.35 176.14 3fwe s ILE 51 N -1.12 1.42 0.17 1.48 -4.36 -0.15 -1.83 121.20 116.81 3fwe s ILE 51 Ca -0.03 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.46 3fwe s ILE 51 Cb -0.09 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 3fwe s ILE 51 CO 0.01 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 174.47 3fwe s LYS 52 N -3.80 1.72 1.28 0.37 1.02 -1.26 -0.39 119.74 118.68 3fwe s LYS 52 Ca 0.26 -1.38 -0.20 0.00 0.02 0.00 0.00 55.97 54.67 3fwe s LYS 52 Cb 0.07 -1.99 0.31 0.00 -0.52 0.00 0.00 37.83 35.70 3fwe s LYS 52 CO 0.13 0.43 1.04 -0.51 -0.92 0.00 0.00 175.35 175.51 3fwe s ASP 53 N -2.61 0.24 0.42 2.83 -0.00 0.92 -4.83 116.67 113.64 3fwe s ASP 53 Ca 0.21 0.78 0.20 0.00 -0.00 0.00 0.00 52.55 53.74 3fwe s ASP 53 Cb -0.09 -1.10 0.91 0.00 -0.00 0.00 0.00 42.92 42.64 3fwe s ASP 53 CO 0.11 -4.56 1.85 -0.33 -0.00 0.00 0.00 175.17 172.24 3fwe h GLU 54 N -2.87 0.00 -0.65 8.23 3.07 -2.01 -2.39 114.58 117.96 3fwe h GLU 54 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3fwe h GLU 54 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3fwe h GLU 54 CO 0.34 0.29 0.00 -0.85 -1.40 0.00 0.00 179.01 177.39 3fwe n GLU 55 N -3.64 3.82 -1.82 2.33 0.00 -1.26 -4.96 120.64 115.10 3fwe n GLU 55 Ca -0.01 -2.82 -0.10 0.00 0.00 0.00 0.00 57.16 54.24 3fwe n GLU 55 Cb 0.41 -1.94 -0.02 0.00 0.00 0.00 0.00 31.44 29.89 3fwe n GLU 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fwe n GLY 56 N 1.05 0.44 3.79 -1.84 0.00 -0.90 -5.02 105.19 102.72 3fwe n GLY 56 Ca 0.25 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3fwe n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwe s LYS 57 N -3.83 4.19 0.02 1.61 -0.14 -1.26 -4.61 119.74 115.73 3fwe s LYS 57 Ca 0.00 0.64 -0.30 0.00 -1.36 0.00 0.00 55.97 54.95 3fwe s LYS 57 Cb 0.00 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 3fwe s LYS 57 CO 0.00 0.53 1.04 -1.21 -0.76 0.00 0.00 175.35 174.95 3fwe s GLU 58 N -0.68 4.53 -0.04 1.68 2.02 -1.26 -0.06 118.70 124.88 3fwe s GLU 58 Ca 0.28 1.52 0.06 0.00 0.02 0.00 0.00 54.97 56.85 3fwe s GLU 58 Cb -0.18 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 3fwe s GLU 58 CO 0.16 -0.10 -0.22 -1.64 0.02 0.00 0.00 175.26 173.48 3fwe s MET 59 N 1.00 2.14 -0.34 1.61 -1.94 0.47 -4.79 119.30 117.44 3fwe s MET 59 Ca 0.54 -0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 53.55 3fwe s MET 59 Cb -0.24 -1.87 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 3fwe s MET 59 CO 0.28 0.36 0.51 0.42 -0.01 0.00 0.00 175.02 176.59 3fwe s ILE 60 N -0.18 5.02 0.09 2.53 1.01 -0.53 -0.98 121.20 128.16 3fwe s ILE 60 Ca -0.01 0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 3fwe s ILE 60 Cb -0.12 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.31 3fwe s ILE 60 CO 0.02 -0.20 1.41 -0.07 0.00 0.00 0.00 174.94 176.11 3fwe h LEU 61 N 9.07 0.70 -7.07 2.97 3.38 -0.69 -3.39 115.31 120.28 3fwe h LEU 61 Ca -0.28 -0.47 0.23 0.00 0.09 0.00 0.00 57.88 57.46 3fwe h LEU 61 Cb 1.13 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 3fwe h LEU 61 CO 0.77 1.03 0.74 -0.94 0.09 0.00 0.00 178.44 180.12 3fwe s SER 62 N -6.48 -0.17 -0.06 -0.43 1.04 -1.18 -5.03 113.70 101.39 3fwe s SER 62 Ca -0.13 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 3fwe s SER 62 Cb 0.08 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 3fwe s SER 62 CO 0.82 -0.35 0.16 -0.31 0.98 0.00 0.00 173.24 174.53 3fwe s TYR 63 N -2.60 3.56 -0.06 5.02 2.02 -1.26 -0.59 117.35 123.44 3fwe s TYR 63 Ca 0.09 0.43 0.06 0.00 -0.37 0.00 0.00 57.07 57.28 3fwe s TYR 63 Cb -0.00 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 3fwe s TYR 63 CO -0.05 0.69 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.86 3fwe s LEU 64 N -1.50 2.06 0.52 -1.29 1.02 -0.05 -4.97 118.68 114.47 3fwe s LEU 64 Ca 0.21 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.87 3fwe s LEU 64 Cb -0.12 -1.36 0.00 0.00 0.02 0.00 0.00 46.19 44.73 3fwe s LEU 64 CO 0.12 0.22 0.10 0.20 0.02 0.00 0.00 176.35 177.01 3fwe s ASN 65 N -0.06 4.25 0.04 2.29 -0.87 -1.26 -0.38 114.94 118.95 3fwe s ASN 65 Ca -0.06 -1.56 -0.36 0.00 -1.57 0.00 0.00 52.86 49.30 3fwe s ASN 65 Cb -0.14 0.51 -0.15 0.00 -0.02 0.00 0.00 41.25 41.44 3fwe s ASN 65 CO 0.05 -0.92 1.49 1.67 -2.57 0.00 0.00 177.10 176.82 3fwe n GLN 66 N -1.39 1.47 0.00 -0.60 7.27 -1.00 -1.14 117.38 122.00 3fwe n GLN 66 Ca -0.15 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.45 3fwe n GLN 66 Cb 0.66 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 31.09 3fwe n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fwe n GLY 67 N 3.11 1.10 3.87 1.69 0.00 -0.61 -5.04 105.19 109.31 3fwe n GLY 67 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3fwe n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwe s ASP 68 N -1.70 6.57 0.20 1.61 -0.00 -0.29 -4.89 116.67 118.16 3fwe s ASP 68 Ca 0.00 1.15 0.06 0.00 -0.00 0.00 0.00 52.55 53.75 3fwe s ASP 68 Cb 0.00 -2.33 -0.04 0.00 -0.00 0.00 0.00 42.92 40.56 3fwe s ASP 68 CO 0.00 -0.35 0.17 -0.36 -0.00 0.00 0.00 175.17 174.63 3fwe s PHE 69 N -2.29 3.15 -0.02 4.23 0.08 -1.26 -1.36 117.98 120.51 3fwe s PHE 69 Ca 0.51 -0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.57 3fwe s PHE 69 Cb -0.10 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 3fwe s PHE 69 CO 0.29 0.52 -0.20 0.42 -0.10 0.00 0.00 175.22 176.14 3fwe s ILE 70 N -1.92 1.58 0.00 0.64 1.01 -0.10 -4.83 121.20 117.59 3fwe s ILE 70 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3fwe s ILE 70 Cb -0.09 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3fwe s ILE 70 CO 0.24 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.24 3fwe n GLY 71 N 2.68 0.77 0.26 6.18 0.00 -1.26 -1.37 105.19 112.45 3fwe n GLY 71 Ca -0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3fwe n GLY 71 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fwe h GLU 72 N 0.00 0.79 -0.71 1.61 3.07 -1.91 -3.24 114.58 114.19 3fwe h GLU 72 Ca 0.00 -0.35 0.07 0.00 -0.50 0.00 0.00 59.36 58.58 3fwe h GLU 72 Cb 0.77 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.60 3fwe h GLU 72 CO 0.00 0.97 0.40 1.25 -1.40 0.00 0.00 179.01 180.23 3fwe h LEU 73 N 0.68 0.58 -2.19 1.33 5.85 -1.95 -1.81 115.31 117.80 3fwe h LEU 73 Ca 0.08 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3fwe h LEU 73 Cb 0.80 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3fwe h LEU 73 CO 0.07 0.36 -0.04 1.23 -0.34 0.00 0.00 178.44 179.72 3fwe h GLY 74 N 0.71 0.00 2.00 3.75 0.00 -1.72 0.94 103.07 108.75 3fwe h GLY 74 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3fwe h GLY 74 CO -0.20 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.32 3fwe h LEU 75 N 0.00 0.00 0.00 3.11 5.85 -1.43 -3.32 115.31 119.52 3fwe h LEU 75 Ca -0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3fwe h LEU 75 Cb 0.10 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3fwe h LEU 75 CO 0.01 0.02 -1.87 0.49 -0.34 0.00 0.00 178.44 176.75 3fwe n PHE 76 N -4.23 0.00 -3.34 1.25 3.72 -0.53 -4.91 117.46 109.41 3fwe n PHE 76 Ca -0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.97 3fwe n PHE 76 Cb 0.11 -0.57 -0.09 0.00 -0.94 0.00 0.00 39.48 37.99 3fwe n PHE 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3fwe s GLU 77 N -2.30 3.73 -0.43 -1.08 0.41 0.21 -4.98 118.70 114.27 3fwe s GLU 77 Ca -0.21 -0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.19 3fwe s GLU 77 Cb 0.07 -3.76 0.54 0.00 -1.78 0.00 0.00 34.13 29.20 3fwe s GLU 77 CO 0.32 -0.49 1.84 0.39 -0.49 0.00 0.00 175.26 176.83 3fwe n GLU 78 N 5.48 2.15 0.00 1.61 1.02 -1.26 -4.19 120.64 125.45 3fwe n GLU 78 Ca -0.07 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 3fwe n GLU 78 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3fwe n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fwe n GLY 79 N -0.85 -2.29 3.37 0.62 0.00 -1.26 -5.05 105.19 99.73 3fwe n GLY 79 Ca 0.52 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.89 3fwe n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fwe s GLN 80 N -0.57 0.33 -0.07 1.61 -0.44 -1.26 -5.08 119.66 114.18 3fwe s GLN 80 Ca 0.00 0.77 0.01 0.00 -2.50 0.00 0.00 55.36 53.65 3fwe s GLN 80 Cb 0.00 0.46 -0.03 0.00 -1.64 0.00 0.00 33.01 31.80 3fwe s GLN 80 CO 0.00 -0.16 -0.09 -1.21 0.50 0.00 0.00 175.29 174.32 3fwe s GLU 81 N 2.59 2.77 0.02 1.67 2.02 -1.26 -0.82 118.70 125.69 3fwe s GLU 81 Ca -0.01 -0.60 -0.35 0.00 0.02 0.00 0.00 54.97 54.03 3fwe s GLU 81 Cb -0.08 -2.55 -0.13 0.00 0.10 0.00 0.00 34.13 31.47 3fwe s GLU 81 CO -0.17 0.60 1.69 0.54 0.02 0.00 0.00 175.26 177.93 3fwe n ARG 82 N 2.42 1.98 0.12 1.61 3.00 0.17 -4.81 116.66 121.15 3fwe n ARG 82 Ca -0.18 0.72 0.12 0.00 -0.01 0.00 0.00 57.85 58.50 3fwe n ARG 82 Cb 0.53 -2.50 0.19 0.00 0.00 0.00 0.00 32.46 30.68 3fwe n ARG 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3fwe h SER 83 N 7.21 0.00 -3.95 0.55 4.64 -1.91 0.40 113.55 120.49 3fwe h SER 83 Ca -0.47 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 60.56 3fwe h SER 83 Cb 1.27 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.10 3fwe h SER 83 CO 0.91 0.03 -0.72 0.00 -0.87 0.00 0.00 176.83 176.18 3fwe s ALA 84 N -3.20 0.07 0.50 5.18 0.00 -1.26 -4.91 121.76 118.14 3fwe s ALA 84 Ca 0.06 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 3fwe s ALA 84 Cb 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 3fwe s ALA 84 CO 0.69 -0.01 1.17 -1.58 0.00 0.00 0.00 175.76 176.02 3fwe s TRP 85 N -0.25 2.75 -0.10 0.00 0.51 -0.76 -4.17 118.94 116.92 3fwe s TRP 85 Ca -0.02 1.53 0.01 0.00 -2.12 0.00 0.00 56.10 55.50 3fwe s TRP 85 Cb -0.02 -3.38 0.02 0.00 -0.81 0.00 0.00 33.47 29.28 3fwe s TRP 85 CO -0.00 -1.64 -0.12 0.08 -0.51 0.00 0.00 176.95 174.76 3fwe s VAL 86 N -1.61 1.25 -0.01 4.03 1.01 -0.04 -1.28 120.40 123.74 3fwe s VAL 86 Ca 0.68 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3fwe s VAL 86 Cb -0.28 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3fwe s VAL 86 CO 0.33 0.39 -0.16 -0.60 0.00 0.00 0.00 175.10 175.06 3fwe s ARG 87 N 1.17 1.32 -0.12 2.72 3.52 -0.59 -0.10 118.95 126.87 3fwe s ARG 87 Ca -0.04 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 3fwe s ARG 87 Cb -0.14 -1.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.94 3fwe s ARG 87 CO -0.03 0.33 1.73 0.00 -0.81 0.00 0.00 175.30 176.52 3fwe s ALA 88 N -0.33 3.39 -0.07 6.12 0.00 -0.38 -0.35 121.76 130.14 3fwe s ALA 88 Ca 0.05 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 3fwe s ALA 88 Cb -0.07 -3.83 -0.21 0.00 0.00 0.00 0.00 23.12 19.01 3fwe s ALA 88 CO -0.00 -1.77 1.01 -0.22 0.00 0.00 0.00 175.76 174.78 3fwe h LYS 89 N 10.68 -0.03 -5.62 0.00 1.63 -1.35 0.59 116.57 122.46 3fwe h LYS 89 Ca -0.39 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.80 3fwe h LYS 89 Cb 1.18 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.73 3fwe h LYS 89 CO 0.97 0.62 -0.43 0.95 -3.45 0.00 0.00 179.45 178.11 3fwe s THR 90 N -3.37 1.57 0.15 1.00 -4.23 -0.98 -4.53 115.64 105.24 3fwe s THR 90 Ca -0.16 -1.74 -0.31 0.00 -1.18 0.00 0.00 61.69 58.29 3fwe s THR 90 Cb -0.00 -2.31 -0.10 0.00 1.34 0.00 0.00 72.50 71.42 3fwe s THR 90 CO 0.64 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.42 3fwe s ALA 91 N -2.78 3.80 0.09 3.99 0.00 -1.26 -3.97 121.76 121.63 3fwe s ALA 91 Ca 0.24 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.65 3fwe s ALA 91 Cb 0.01 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3fwe s ALA 91 CO 0.14 -1.00 -0.08 0.00 0.00 0.00 0.00 175.76 174.82 3fwe s GLU 93 N -3.26 3.32 -0.08 0.00 2.02 -0.18 -0.98 118.70 119.54 3fwe s GLU 93 Ca 0.07 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.39 3fwe s GLU 93 Cb 0.01 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.55 3fwe s GLU 93 CO -0.03 0.06 -0.14 0.08 0.02 0.00 0.00 175.26 175.25 3fwe s VAL 94 N 0.74 1.33 0.05 2.63 1.01 -0.11 -0.19 120.40 125.86 3fwe s VAL 94 Ca -0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3fwe s VAL 94 Cb -0.15 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3fwe s VAL 94 CO 0.01 0.40 0.49 0.00 0.00 0.00 0.00 175.10 176.00 3fwe s ALA 95 N 0.73 3.64 -0.06 5.51 0.00 0.19 -1.30 121.76 130.48 3fwe s ALA 95 Ca -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3fwe s ALA 95 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.49 3fwe s ALA 95 CO 0.03 0.45 -0.07 -2.00 0.00 0.00 0.00 175.76 174.17 3fwe s GLU 96 N -1.21 1.22 0.00 0.00 2.12 -0.15 -0.27 118.70 120.42 3fwe s GLU 96 Ca 0.28 -0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 3fwe s GLU 96 Cb -0.18 -1.15 -0.01 0.00 0.26 0.00 0.00 34.13 33.06 3fwe s GLU 96 CO 0.16 -0.08 0.01 -1.50 -0.54 0.00 0.00 175.26 173.31 3fwe s ILE 97 N 0.99 0.04 0.65 -3.70 2.07 -0.42 -0.80 121.20 120.04 3fwe s ILE 97 Ca -0.09 -0.36 -0.17 0.00 -1.41 0.00 0.00 60.65 58.62 3fwe s ILE 97 Cb -0.14 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.30 3fwe s ILE 97 CO 0.00 -0.20 1.17 -0.94 -1.91 0.00 0.00 174.94 173.06 3fwe s SER 98 N -0.59 4.90 0.31 4.50 1.04 -1.26 0.17 113.70 122.77 3fwe s SER 98 Ca -0.06 2.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.61 3fwe s SER 98 Cb -0.04 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 63.97 3fwe s SER 98 CO -0.00 -1.78 1.95 1.88 0.98 0.00 0.00 173.24 176.26 3fwe h TYR 99 N 0.30 0.95 0.16 5.02 0.99 -1.68 -1.80 116.97 120.90 3fwe h TYR 99 Ca -0.48 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.24 3fwe h TYR 99 Cb 1.28 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 38.70 3fwe h TYR 99 CO 0.49 0.64 -0.08 -0.22 -0.00 0.00 0.00 178.16 179.00 3fwe h LYS 100 N 0.99 -0.20 -0.67 4.88 3.64 -1.92 -1.13 116.57 122.16 3fwe h LYS 100 Ca 0.26 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3fwe h LYS 100 Cb -0.03 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3fwe h LYS 100 CO -0.05 -0.14 0.30 -0.22 -2.27 0.00 0.00 179.45 177.08 3fwe h LYS 101 N -0.21 0.98 -0.51 1.90 1.63 -1.92 -2.82 116.57 115.62 3fwe h LYS 101 Ca -0.02 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 3fwe h LYS 101 Cb 0.16 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3fwe h LYS 101 CO 0.03 0.79 0.06 0.35 -3.45 0.00 0.00 179.45 177.24 3fwe h PHE 102 N 0.94 0.84 -0.22 1.91 3.04 -1.18 -2.23 116.94 120.03 3fwe h PHE 102 Ca 0.23 -0.10 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 3fwe h PHE 102 Cb 0.15 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 3fwe h PHE 102 CO 0.01 0.74 -0.22 0.00 -2.02 0.00 0.00 178.31 176.82 3fwe h ARG 103 N 0.77 0.40 -0.08 1.11 3.08 -1.05 -1.36 114.38 117.25 3fwe h ARG 103 Ca 0.16 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 3fwe h ARG 103 Cb 0.37 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3fwe h ARG 103 CO 0.01 0.60 -0.75 -0.56 -1.07 0.00 0.00 179.97 178.20 3fwe h GLN 104 N 0.36 0.43 -0.58 0.04 3.07 -1.25 -3.20 115.11 113.99 3fwe h GLN 104 Ca 0.06 -0.36 -0.10 0.00 0.09 0.00 0.00 58.65 58.34 3fwe h GLN 104 Cb 0.59 0.08 -0.02 0.00 0.08 0.00 0.00 27.48 28.21 3fwe h GLN 104 CO 0.04 1.00 -0.05 -0.07 0.09 0.00 0.00 178.83 179.84 3fwe h LEU 105 N 0.29 1.04 -0.80 0.06 3.38 -1.19 -3.03 115.31 115.06 3fwe h LEU 105 Ca -0.04 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.72 3fwe h LEU 105 Cb 1.33 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 3fwe h LEU 105 CO 0.13 1.11 0.44 0.40 0.09 0.00 0.00 178.44 180.61 3fwe h ILE 106 N 0.95 0.87 -0.58 1.22 2.04 -1.31 0.14 117.51 120.85 3fwe h ILE 106 Ca 0.16 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3fwe h ILE 106 Cb 0.61 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3fwe h ILE 106 CO 0.04 0.13 0.37 1.56 0.00 0.00 0.00 178.15 180.25 3fwe h GLN 107 N 0.72 0.73 -0.02 2.37 1.08 -1.52 -2.31 115.11 116.16 3fwe h GLN 107 Ca 0.39 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.52 3fwe h GLN 107 Cb 0.40 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3fwe h GLN 107 CO -0.27 0.48 -0.10 0.28 -0.95 0.00 0.00 178.83 178.27 3fwe h VAL 108 N 0.75 1.49 -2.94 -0.54 2.07 -1.37 -3.42 116.25 112.30 3fwe h VAL 108 Ca 0.22 -1.61 -0.57 0.00 0.82 0.00 0.00 66.70 65.56 3fwe h VAL 108 Cb -0.05 2.50 -0.40 0.00 -1.52 0.00 0.00 31.29 31.82 3fwe h VAL 108 CO -0.06 0.43 -0.77 0.21 0.02 0.00 0.00 177.57 177.39 3fwe s ASN 109 N -6.04 3.67 0.06 0.57 2.47 0.45 -5.01 114.94 111.12 3fwe s ASN 109 Ca -0.16 -1.80 0.18 0.00 0.42 0.00 0.00 52.86 51.49 3fwe s ASN 109 Cb 0.01 -0.69 0.74 0.00 -1.45 0.00 0.00 41.25 39.87 3fwe s ASN 109 CO 0.71 -0.38 1.55 -2.65 -3.72 0.00 0.00 177.10 172.61 3fwe n PRO 110 N 4.61 0.05 -0.11 0.43 -0.02 -0.87 -3.19 135.00 135.89 3fwe n PRO 110 Ca 0.01 0.28 0.19 0.00 -2.02 0.00 0.00 63.50 61.96 3fwe n PRO 110 Cb 0.40 -1.59 0.60 0.00 -0.02 0.00 0.00 33.50 32.89 3fwe n PRO 110 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3fwe h ASP 111 N 0.00 0.19 0.95 2.55 3.32 -1.95 -0.25 116.42 121.23 3fwe h ASP 111 Ca 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 3fwe h ASP 111 Cb 0.30 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3fwe h ASP 111 CO 0.00 0.10 -0.48 -0.29 -1.72 0.00 0.00 179.24 176.84 3fwe h ILE 112 N 0.20 1.02 -0.34 0.35 6.09 -1.93 -1.02 117.51 121.88 3fwe h ILE 112 Ca 0.34 -1.89 -0.14 0.00 -1.37 0.00 0.00 64.86 61.80 3fwe h ILE 112 Cb 1.04 2.13 -0.01 0.00 0.47 0.00 0.00 36.82 40.45 3fwe h ILE 112 CO -0.06 0.47 -0.34 0.25 -3.07 0.00 0.00 178.15 175.40 3fwe h LEU 113 N 0.00 0.89 -1.30 2.19 6.46 -1.31 -2.41 115.31 119.84 3fwe h LEU 113 Ca -0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 3fwe h LEU 113 Cb 1.09 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 3fwe h LEU 113 CO 0.06 1.18 0.43 0.24 -0.62 0.00 0.00 178.44 179.73 3fwe h MET 114 N 0.62 0.90 -0.16 1.25 2.86 -0.92 0.13 114.93 119.62 3fwe h MET 114 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3fwe h MET 114 Cb 0.92 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3fwe h MET 114 CO 0.08 0.61 0.04 -0.09 1.06 0.00 0.00 176.91 178.61 3fwe h ARG 115 N 0.92 0.25 -0.35 1.72 9.65 -1.13 -0.46 114.38 124.99 3fwe h ARG 115 Ca 0.25 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3fwe h ARG 115 Cb -0.08 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 3fwe h ARG 115 CO -0.05 0.40 0.17 1.25 2.80 0.00 0.00 179.97 184.54 3fwe h LEU 116 N 0.06 0.46 -0.91 3.80 6.46 -1.06 -2.96 115.31 121.16 3fwe h LEU 116 Ca 0.05 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3fwe h LEU 116 Cb 0.26 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 3fwe h LEU 116 CO 0.00 0.45 0.15 0.28 -0.62 0.00 0.00 178.44 178.70 3fwe h SER 117 N 0.43 0.89 -0.59 1.25 0.02 -0.72 -2.99 113.55 111.84 3fwe h SER 117 Ca 0.12 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 3fwe h SER 117 Cb 0.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3fwe h SER 117 CO -0.02 0.86 0.16 0.00 -1.14 0.00 0.00 176.83 176.70 3fwe h ALA 118 N 1.25 0.77 0.00 3.77 0.00 -0.98 -1.39 119.26 122.68 3fwe h ALA 118 Ca 0.20 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3fwe h ALA 118 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fwe h ALA 118 CO -0.00 0.45 -0.64 -0.56 0.00 0.00 0.00 179.25 178.51 3fwe h GLN 119 N 0.84 0.00 -0.17 0.00 -0.00 -1.49 -1.33 115.11 112.96 3fwe h GLN 119 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 3fwe h GLN 119 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.79 3fwe h GLN 119 CO -0.00 0.64 0.06 0.52 -0.00 0.00 0.00 178.83 180.05 3fwe h MET 120 N 0.00 0.25 -0.92 0.06 2.86 -1.43 -2.63 114.93 113.11 3fwe h MET 120 Ca -0.01 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fwe h MET 120 Cb 1.13 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 3fwe h MET 120 CO 0.08 0.34 0.60 0.00 1.06 0.00 0.00 176.91 179.00 3fwe h ALA 121 N 0.90 1.20 -0.04 6.32 0.00 -0.94 0.82 119.26 127.52 3fwe h ALA 121 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3fwe h ALA 121 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3fwe h ALA 121 CO -0.00 0.50 -0.53 -0.09 0.00 0.00 0.00 179.25 179.13 3fwe h ARG 122 N 1.19 0.12 -0.03 0.00 1.12 -1.28 -1.49 114.38 114.01 3fwe h ARG 122 Ca 0.36 -0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 59.00 3fwe h ARG 122 Cb -0.05 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 3fwe h ARG 122 CO -0.10 0.62 -0.72 0.00 -3.11 0.00 0.00 179.97 176.65 3fwe h ARG 123 N 0.09 0.18 0.00 0.20 3.08 -0.94 -3.08 114.38 113.91 3fwe h ARG 123 Ca -0.00 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3fwe h ARG 123 Cb 0.96 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3fwe h ARG 123 CO 0.07 0.82 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.36 3fwe h LEU 124 N 0.12 0.00 -0.37 3.04 -0.00 -0.57 -3.29 115.31 114.24 3fwe h LEU 124 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 3fwe h LEU 124 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 3fwe h LEU 124 CO 0.11 0.36 -0.00 -0.61 -0.00 0.00 0.00 178.44 178.30 3fwe h GLN 125 N 0.00 0.66 -0.80 1.13 5.75 -1.18 -1.60 115.11 119.07 3fwe h GLN 125 Ca -0.00 -0.21 0.12 0.00 -0.15 0.00 0.00 58.65 58.41 3fwe h GLN 125 Cb 0.81 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.21 3fwe h GLN 125 CO 0.05 0.77 0.41 -0.39 -2.65 0.00 0.00 178.83 177.02 3fwe h VAL 126 N 0.48 0.79 -0.01 2.39 -1.51 -1.64 -0.45 116.25 116.30 3fwe h VAL 126 Ca 0.11 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3fwe h VAL 126 Cb 0.47 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3fwe h VAL 126 CO 0.02 0.12 -0.12 0.35 -1.23 0.00 0.00 177.57 176.71 3fwe n THR 127 N -4.86 0.00 0.16 7.19 -2.24 -1.11 -3.00 114.28 110.43 3fwe n THR 127 Ca 0.15 -0.16 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3fwe n THR 127 Cb 0.36 0.31 0.52 0.00 -2.10 0.00 0.00 70.33 69.42 3fwe n THR 127 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3fwe h SER 128 N 1.50 0.16 0.00 3.42 0.87 -0.05 -3.32 113.55 116.12 3fwe h SER 128 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3fwe h SER 128 Cb 0.45 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3fwe h SER 128 CO 0.00 0.18 0.00 -1.84 -0.53 0.00 0.00 176.83 174.64 3fwe n GLU 129 N -4.44 0.00 -1.02 2.24 0.00 -1.16 -4.73 120.64 111.53 3fwe n GLU 129 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.07 3fwe n GLU 129 Cb 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 31.44 31.28 3fwe n GLU 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3fwe n LYS 130 N -0.23 0.00 0.00 3.44 5.02 -1.21 -4.70 118.16 120.47 3fwe n LYS 130 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fwe n LYS 130 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3fwe n LYS 130 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3fwe n VAL 131 N 4.13 0.00 0.00 -0.18 3.14 -1.26 -4.80 118.33 119.36 3fwe n VAL 131 Ca 0.25 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 3fwe n VAL 131 Cb 0.28 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 3fwe n VAL 131 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fwe n GLY 132 N 3.85 -1.29 0.00 7.55 0.00 -1.26 -5.02 105.19 109.03 3fwe n GLY 132 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3fwe n GLY 132 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fwe n ASN 133 N -0.75 0.00 -0.31 1.61 2.04 -1.26 -4.89 115.26 111.70 3fwe n ASN 133 Ca 0.00 -0.07 0.02 0.00 -0.44 0.00 0.00 54.58 54.09 3fwe n ASN 133 Cb 0.00 0.00 0.21 0.00 -2.53 0.00 0.00 39.78 37.46 3fwe n ASN 133 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3fwe h LEU 134 N 0.00 0.97 -0.41 -4.53 5.85 -1.99 -2.04 115.31 113.16 3fwe h LEU 134 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3fwe h LEU 134 Cb 0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3fwe h LEU 134 CO 0.00 0.66 0.18 0.00 -0.34 0.00 0.00 178.44 178.94 3fwe h ALA 135 N 1.48 0.53 -0.18 1.25 0.00 -1.99 -0.76 119.26 119.59 3fwe h ALA 135 Ca 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fwe h ALA 135 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fwe h ALA 135 CO -0.12 0.11 -0.10 0.35 0.00 0.00 0.00 179.25 179.50 3fwe h PHE 136 N 0.52 0.28 -0.09 0.00 3.57 -1.82 0.33 116.94 119.75 3fwe h PHE 136 Ca 0.14 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3fwe h PHE 136 Cb 0.15 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3fwe h PHE 136 CO -0.01 0.37 -0.64 1.25 -2.23 0.00 0.00 178.31 177.06 3fwe h LEU 137 N 0.26 0.37 -0.20 0.59 6.46 -1.06 -1.38 115.31 120.36 3fwe h LEU 137 Ca 0.06 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.54 3fwe h LEU 137 Cb 0.34 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3fwe h LEU 137 CO 0.02 0.91 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.59 3fwe h LEU 138 N 0.23 0.43 -0.80 2.25 3.38 -0.30 -2.14 115.31 118.37 3fwe h LEU 138 Ca -0.01 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3fwe h LEU 138 Cb 1.17 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 3fwe h LEU 138 CO 0.10 0.74 0.48 0.58 0.09 0.00 0.00 178.44 180.44 3fwe h VAL 139 N 0.12 1.02 -0.53 1.22 2.07 -0.93 -1.56 116.25 117.65 3fwe h VAL 139 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3fwe h VAL 139 Cb 0.58 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3fwe h VAL 139 CO 0.03 0.16 0.34 0.74 0.02 0.00 0.00 177.57 178.86 3fwe h THR 140 N 0.88 1.15 -0.45 2.57 2.02 -1.17 -0.54 112.91 117.38 3fwe h THR 140 Ca 0.35 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3fwe h THR 140 Cb 0.18 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3fwe h THR 140 CO -0.18 0.15 0.23 1.23 0.37 0.00 0.00 175.52 177.32 3fwe h GLY 141 N 0.72 0.62 1.57 2.16 0.00 -0.94 -1.75 103.07 105.44 3fwe h GLY 141 Ca 0.19 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 3fwe h GLY 141 CO -0.04 0.11 -0.26 3.21 0.00 0.00 0.00 176.54 179.55 3fwe h ARG 142 N 0.45 0.50 -0.21 4.80 3.08 -0.95 -0.06 114.38 122.00 3fwe h ARG 142 Ca 0.19 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3fwe h ARG 142 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3fwe h ARG 142 CO -0.14 0.72 0.06 0.82 -1.07 0.00 0.00 179.97 180.36 3fwe h ILE 143 N 0.44 1.20 -0.45 2.04 2.04 -0.89 0.79 117.51 122.68 3fwe h ILE 143 Ca 0.06 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3fwe h ILE 143 Cb 0.69 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3fwe h ILE 143 CO 0.05 0.20 0.26 0.00 0.00 0.00 0.00 178.15 178.66 3fwe h ALA 144 N 0.87 0.57 -0.28 1.87 0.00 -1.12 -0.44 119.26 120.73 3fwe h ALA 144 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fwe h ALA 144 Cb 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3fwe h ALA 144 CO -0.00 -0.07 -0.06 0.37 0.00 0.00 0.00 179.25 179.49 3fwe h GLN 145 N 0.51 0.01 -0.49 0.00 4.15 -0.86 0.39 115.11 118.82 3fwe h GLN 145 Ca 0.19 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.66 3fwe h GLN 145 Cb 0.04 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 3fwe h GLN 145 CO -0.10 0.01 0.22 1.15 -1.93 0.00 0.00 178.83 178.18 3fwe h THR 146 N 0.01 0.91 -0.41 2.39 2.02 -0.40 -0.13 112.91 117.31 3fwe h THR 146 Ca 0.14 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3fwe h THR 146 Cb 0.20 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3fwe h THR 146 CO -0.28 0.08 -0.22 -0.07 0.37 0.00 0.00 175.52 175.39 3fwe h LEU 147 N 0.44 0.90 -0.55 2.58 3.38 -0.78 -2.17 115.31 119.11 3fwe h LEU 147 Ca 0.22 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3fwe h LEU 147 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3fwe h LEU 147 CO -0.19 1.12 0.14 -0.07 0.09 0.00 0.00 178.44 179.53 3fwe h LEU 148 N 0.69 0.83 -0.49 1.67 3.38 -0.70 -2.27 115.31 118.42 3fwe h LEU 148 Ca 0.09 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3fwe h LEU 148 Cb 0.79 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3fwe h LEU 148 CO 0.06 0.84 -0.11 0.78 0.09 0.00 0.00 178.44 180.10 3fwe h ASN 149 N 0.78 0.95 0.04 -0.43 -0.26 -0.99 -2.89 115.58 112.78 3fwe h ASN 149 Ca 0.17 -0.36 -0.07 0.00 -0.56 0.00 0.00 56.30 55.48 3fwe h ASN 149 Cb 0.33 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3fwe h ASN 149 CO 0.00 1.09 -0.22 -0.07 -1.06 0.00 0.00 177.43 177.17 3fwe h LEU 150 N 0.79 0.31 -1.31 1.61 3.38 -1.38 -2.53 115.31 116.18 3fwe h LEU 150 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fwe h LEU 150 Cb 0.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3fwe h LEU 150 CO 0.05 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.12 3fwe h ALA 151 N 1.49 1.00 0.00 1.53 0.00 -1.25 -3.05 119.26 118.98 3fwe h ALA 151 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3fwe h ALA 151 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3fwe h ALA 151 CO 0.04 0.00 -1.06 0.87 0.00 0.00 0.00 179.25 179.10 3fwe h LYS 152 N 0.00 0.00 -7.16 0.00 1.57 -1.25 -3.47 116.57 106.27 3fwe h LYS 152 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3fwe h LYS 152 Cb 0.53 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.94 3fwe h LYS 152 CO 0.00 0.25 0.40 -0.65 -0.57 0.00 0.00 179.45 178.88 3fwe s GLN 153 N -3.05 2.90 0.37 3.15 -0.21 -1.12 -4.95 119.66 116.75 3fwe s GLN 153 Ca -0.00 1.53 0.10 0.00 0.02 0.00 0.00 55.36 57.00 3fwe s GLN 153 Cb 0.08 -1.95 0.84 0.00 1.00 0.00 0.00 33.01 32.98 3fwe s GLN 153 CO 0.79 -1.19 1.89 -1.35 -2.12 0.00 0.00 175.29 173.30 3fwe h PRO 154 N 0.40 0.64 -0.14 2.91 0.11 -1.93 -2.62 132.00 131.37 3fwe h PRO 154 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fwe h PRO 154 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fwe h PRO 154 CO 0.54 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3fwe n ASP 155 N -4.54 0.14 -4.75 -2.05 3.85 -1.26 -4.81 116.55 103.13 3fwe n ASP 155 Ca 0.16 -1.91 -0.40 0.00 -0.71 0.00 0.00 54.79 51.93 3fwe n ASP 155 Cb 0.45 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 40.10 3fwe n ASP 155 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fwe s ALA 156 N -1.85 3.37 -0.11 2.12 0.00 -0.99 -4.91 121.76 119.38 3fwe s ALA 156 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 3fwe s ALA 156 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3fwe s ALA 156 CO 0.00 0.16 0.22 -1.64 0.00 0.00 0.00 175.76 174.51 3fwe s MET 157 N -0.71 3.77 0.25 0.00 -1.94 -0.31 -4.90 119.30 115.46 3fwe s MET 157 Ca 0.40 0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.10 3fwe s MET 157 Cb -0.23 -3.26 -0.10 0.00 2.01 0.00 0.00 34.83 33.25 3fwe s MET 157 CO 0.28 0.61 1.35 -0.08 -0.01 0.00 0.00 175.02 177.17 3fwe s THR 158 N -0.62 2.91 0.02 2.05 -1.32 -1.26 0.59 115.64 118.00 3fwe s THR 158 Ca 0.16 0.79 0.02 0.00 -1.21 0.00 0.00 61.69 61.46 3fwe s THR 158 Cb -0.13 -3.51 -0.01 0.00 -1.51 0.00 0.00 72.50 67.34 3fwe s THR 158 CO 0.05 0.14 -0.07 -2.28 -2.21 0.00 0.00 174.62 170.25 3fwe s HIS 159 N -0.26 0.61 0.52 9.09 5.04 -0.41 -4.79 115.29 125.10 3fwe s HIS 159 Ca 0.55 -0.28 0.31 0.00 -1.54 0.00 0.00 55.06 54.10 3fwe s HIS 159 Cb -0.39 -0.38 1.45 0.00 0.04 0.00 0.00 32.58 33.30 3fwe s HIS 159 CO 0.44 -0.04 1.87 -1.35 -2.34 0.00 0.00 174.74 173.32 3fwe h PRO 160 N 5.30 0.04 0.00 2.88 0.11 -2.01 -1.67 132.00 136.65 3fwe h PRO 160 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3fwe h PRO 160 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fwe h PRO 160 CO 0.46 0.03 -1.00 -0.25 -0.21 0.00 0.00 178.00 177.03 3fwe n ASP 161 N -4.29 0.90 0.00 -2.05 10.43 -1.26 -5.07 116.55 115.22 3fwe n ASP 161 Ca 0.20 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.69 3fwe n ASP 161 Cb 0.97 0.97 0.00 0.00 1.84 0.00 0.00 41.12 44.90 3fwe n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwe n GLY 162 N 1.49 -0.51 3.17 0.44 0.00 -0.63 -3.13 105.19 106.01 3fwe n GLY 162 Ca 0.04 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3fwe n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fwe s MET 163 N 0.00 2.76 -0.14 1.61 -1.94 -0.68 -1.28 119.30 119.62 3fwe s MET 163 Ca 0.00 -0.78 -0.17 0.00 -1.71 0.00 0.00 55.69 53.04 3fwe s MET 163 Cb 0.00 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 3fwe s MET 163 CO 0.00 0.13 0.42 -1.14 -0.01 0.00 0.00 175.02 174.42 3fwe s GLN 164 N 0.45 4.29 0.15 2.03 0.74 0.20 -1.11 119.66 126.41 3fwe s GLN 164 Ca -0.17 0.32 0.10 0.00 0.05 0.00 0.00 55.36 55.66 3fwe s GLN 164 Cb -0.17 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 3fwe s GLN 164 CO 0.07 0.15 -0.23 0.96 -0.55 0.00 0.00 175.29 175.69 3fwe s ILE 165 N 0.70 2.05 -0.46 -2.34 -4.36 0.19 -1.16 121.20 115.81 3fwe s ILE 165 Ca 0.22 -1.81 -0.06 0.00 -0.26 0.00 0.00 60.65 58.74 3fwe s ILE 165 Cb -0.14 -1.89 0.12 0.00 1.25 0.00 0.00 42.46 41.80 3fwe s ILE 165 CO 0.08 -0.09 0.30 -0.54 0.24 0.00 0.00 174.94 174.93 3fwe s LYS 166 N -2.35 2.30 -0.18 0.37 1.02 -1.26 -1.02 119.74 118.62 3fwe s LYS 166 Ca 0.14 -1.84 -0.16 0.00 0.02 0.00 0.00 55.97 54.13 3fwe s LYS 166 Cb -0.08 -3.78 0.05 0.00 -0.52 0.00 0.00 37.83 33.49 3fwe s LYS 166 CO 0.07 -1.15 0.49 -1.50 -0.92 0.00 0.00 175.35 172.34 3fwe s ILE 167 N 1.17 -0.00 0.58 2.17 2.07 -0.75 -5.02 121.20 121.42 3fwe s ILE 167 Ca 0.08 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 3fwe s ILE 167 Cb -0.24 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 3fwe s ILE 167 CO -0.02 0.00 0.94 0.42 -1.91 0.00 0.00 174.94 174.37 3fwe s THR 168 N 0.35 4.36 0.32 4.00 -4.23 -1.26 -4.52 115.64 114.66 3fwe s THR 168 Ca -0.01 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3fwe s THR 168 Cb -0.04 -3.72 0.19 0.00 1.34 0.00 0.00 72.50 70.27 3fwe s THR 168 CO -0.00 -0.83 1.90 0.03 -0.54 0.00 0.00 174.62 175.17 3fwe h ARG 169 N -0.18 0.73 -0.76 3.99 3.08 -1.93 -2.19 114.38 117.12 3fwe h ARG 169 Ca -0.45 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.44 3fwe h ARG 169 Cb 1.22 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 3fwe h ARG 169 CO 0.62 0.62 0.33 0.37 -1.07 0.00 0.00 179.97 180.84 3fwe h GLN 170 N 0.72 1.12 -0.19 0.04 5.75 -1.94 -1.35 115.11 119.26 3fwe h GLN 170 Ca 0.17 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3fwe h GLN 170 Cb 0.18 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3fwe h GLN 170 CO -0.01 0.89 -0.45 0.93 -2.65 0.00 0.00 178.83 177.54 3fwe h GLU 171 N 1.10 0.65 -0.46 1.69 5.08 -1.88 -1.66 114.58 119.10 3fwe h GLU 171 Ca 0.26 -0.44 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3fwe h GLU 171 Cb 0.17 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3fwe h GLU 171 CO -0.03 1.06 0.21 0.82 -1.00 0.00 0.00 179.01 180.08 3fwe h ILE 172 N 0.34 0.93 -0.94 3.13 2.04 -1.33 -1.81 117.51 119.86 3fwe h ILE 172 Ca -0.00 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3fwe h ILE 172 Cb 1.06 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3fwe h ILE 172 CO 0.10 0.08 0.62 1.23 0.00 0.00 0.00 178.15 180.17 3fwe h GLY 173 N 0.42 1.34 0.96 5.37 0.00 -1.15 0.38 103.07 110.38 3fwe h GLY 173 Ca 0.21 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3fwe h GLY 173 CO -0.17 0.45 0.19 1.46 0.00 0.00 0.00 176.54 178.48 3fwe h GLN 174 N 1.24 0.60 0.19 4.80 1.08 -0.94 0.28 115.11 122.37 3fwe h GLN 174 Ca 0.35 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 3fwe h GLN 174 Cb -0.10 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 3fwe h GLN 174 CO -0.09 0.53 -0.09 0.82 -0.95 0.00 0.00 178.83 179.05 3fwe h ILE 175 N 0.53 0.88 0.00 2.54 2.04 -1.04 -3.27 117.51 119.20 3fwe h ILE 175 Ca 0.14 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3fwe h ILE 175 Cb 0.13 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3fwe h ILE 175 CO -0.02 0.09 -0.09 0.58 0.00 0.00 0.00 178.15 178.72 3fwe h VAL 176 N -0.46 0.00 -2.54 1.67 2.07 -0.91 -3.48 116.25 112.60 3fwe h VAL 176 Ca -0.03 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 3fwe h VAL 176 Cb 0.35 1.52 0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3fwe h VAL 176 CO 0.04 0.00 -0.15 0.61 0.02 0.00 0.00 177.57 178.10 3fwe n GLY 177 N 1.28 0.37 3.33 2.17 0.00 0.86 -4.93 105.19 108.26 3fwe n GLY 177 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3fwe n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwe s SER 179 N -3.18 4.80 0.49 0.00 1.04 -1.26 -4.20 113.70 111.39 3fwe s SER 179 Ca 0.35 1.85 0.27 0.00 0.48 0.00 0.00 55.95 58.90 3fwe s SER 179 Cb 0.04 -2.53 1.18 0.00 0.10 0.00 0.00 66.02 64.81 3fwe s SER 179 CO 0.15 -1.84 1.94 0.08 0.98 0.00 0.00 173.24 174.55 3fwe h ARG 180 N -0.71 0.00 -0.33 4.02 0.11 -1.90 -2.28 114.38 113.29 3fwe h ARG 180 Ca -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.57 3fwe h ARG 180 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 3fwe h ARG 180 CO 0.53 0.16 -0.05 0.93 0.10 0.00 0.00 179.97 181.64 3fwe h GLU 181 N 0.00 0.62 -0.72 0.08 3.07 -1.92 -0.93 114.58 114.78 3fwe h GLU 181 Ca -0.00 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 3fwe h GLU 181 Cb 0.57 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 3fwe h GLU 181 CO 0.02 0.78 0.33 1.15 -1.40 0.00 0.00 179.01 179.90 3fwe h THR 182 N 0.41 1.24 -0.50 1.13 2.02 -1.84 -1.97 112.91 113.40 3fwe h THR 182 Ca 0.09 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3fwe h THR 182 Cb 0.53 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3fwe h THR 182 CO 0.03 0.29 0.33 0.58 0.37 0.00 0.00 175.52 177.11 3fwe h VAL 183 N 1.02 1.12 -0.46 3.16 2.07 -1.35 -2.33 116.25 119.47 3fwe h VAL 183 Ca 0.25 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3fwe h VAL 183 Cb 0.14 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3fwe h VAL 183 CO -0.03 0.12 0.09 1.23 0.02 0.00 0.00 177.57 179.00 3fwe h GLY 184 N 0.67 0.55 1.00 2.17 0.00 -0.69 0.12 103.07 106.89 3fwe h GLY 184 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3fwe h GLY 184 CO -0.05 -0.05 0.37 3.21 0.00 0.00 0.00 176.54 180.02 3fwe h ARG 185 N 0.23 0.90 -0.25 4.80 3.08 -1.21 0.43 114.38 122.35 3fwe h ARG 185 Ca 0.23 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3fwe h ARG 185 Cb 0.29 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3fwe h ARG 185 CO -0.30 0.66 -0.23 0.82 -1.07 0.00 0.00 179.97 179.86 3fwe h ILE 186 N 0.88 1.31 -0.57 2.04 2.04 -1.06 -1.79 117.51 120.36 3fwe h ILE 186 Ca 0.23 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3fwe h ILE 186 Cb 0.02 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3fwe h ILE 186 CO -0.04 0.43 0.37 -0.07 0.00 0.00 0.00 178.15 178.85 3fwe h LEU 187 N 0.32 0.63 -0.68 1.44 4.07 -0.65 -0.06 115.31 120.38 3fwe h LEU 187 Ca 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3fwe h LEU 187 Cb 0.78 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 3fwe h LEU 187 CO 0.06 0.45 0.43 0.50 -1.08 0.00 0.00 178.44 178.80 3fwe h LYS 188 N 0.75 0.91 -0.31 1.13 3.64 -0.89 -0.19 116.57 121.60 3fwe h LYS 188 Ca 0.22 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3fwe h LYS 188 Cb -0.05 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3fwe h LYS 188 CO -0.06 0.63 0.17 1.98 -2.27 0.00 0.00 179.45 179.90 3fwe h MET 189 N 0.93 0.34 -0.37 1.90 4.05 -1.00 0.29 114.93 121.07 3fwe h MET 189 Ca 0.25 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 3fwe h MET 189 Cb -0.06 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3fwe h MET 189 CO -0.05 0.22 -0.02 -0.07 0.23 0.00 0.00 176.91 177.22 3fwe h LEU 190 N 0.35 0.56 -0.32 3.39 3.38 -0.69 -1.78 115.31 120.20 3fwe h LEU 190 Ca 0.13 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3fwe h LEU 190 Cb 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3fwe h LEU 190 CO -0.08 0.65 -0.36 -0.08 0.09 0.00 0.00 178.44 178.67 3fwe h GLU 191 N 0.56 0.81 -0.46 1.13 4.81 -0.75 -1.26 114.58 119.42 3fwe h GLU 191 Ca 0.12 -0.44 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 3fwe h GLU 191 Cb 0.39 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3fwe h GLU 191 CO 0.02 1.08 0.31 -0.44 -0.73 0.00 0.00 179.01 179.24 3fwe h ASP 192 N 0.58 0.35 -0.20 1.04 3.32 -0.64 -2.77 116.42 118.11 3fwe h ASP 192 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fwe h ASP 192 Cb 0.95 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3fwe h ASP 192 CO 0.09 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 3fwe n GLN 193 N -4.48 1.66 -3.05 3.56 6.02 -0.69 -4.65 117.38 115.76 3fwe n GLN 193 Ca 0.06 -1.00 -0.17 0.00 -0.01 0.00 0.00 57.00 55.88 3fwe n GLN 193 Cb 0.23 -1.34 0.04 0.00 1.02 0.00 0.00 30.24 30.19 3fwe n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3fwe n ASN 194 N 0.25 -5.04 -0.06 1.08 5.15 -1.04 -1.45 115.26 114.14 3fwe n ASN 194 Ca 0.14 -0.30 -0.07 0.00 -0.60 0.00 0.00 54.58 53.75 3fwe n ASN 194 Cb 0.28 -3.76 -0.09 0.00 -0.53 0.00 0.00 39.78 35.68 3fwe n ASN 194 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fwe n LEU 195 N -3.38 0.81 -4.17 1.20 4.77 -0.49 -4.81 117.00 110.93 3fwe n LEU 195 Ca -0.04 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3fwe n LEU 195 Cb 0.57 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 3fwe n LEU 195 CO 0.41 0.42 -0.16 0.27 -1.33 0.00 0.00 177.39 177.00 3fwe s ILE 196 N -2.29 0.00 0.02 -0.08 -4.36 -1.16 -2.16 121.20 111.17 3fwe s ILE 196 Ca -0.10 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 3fwe s ILE 196 Cb 0.04 -2.46 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 3fwe s ILE 196 CO 0.45 0.00 -0.08 -0.94 0.24 0.00 0.00 174.94 174.61 3fwe s SER 197 N -3.16 0.90 -0.07 4.36 1.04 -0.60 -4.19 113.70 111.99 3fwe s SER 197 Ca 0.36 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.53 3fwe s SER 197 Cb 0.05 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 3fwe s SER 197 CO 0.13 -0.02 -0.19 0.00 0.98 0.00 0.00 173.24 174.14 3fwe s ALA 198 N -0.66 1.72 -0.10 5.32 0.00 -1.26 -0.16 121.76 126.62 3fwe s ALA 198 Ca -0.02 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 3fwe s ALA 198 Cb -0.06 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3fwe s ALA 198 CO 0.00 0.26 0.24 -1.58 0.00 0.00 0.00 175.76 174.68 3fwe s HIS 199 N 0.25 -0.30 0.00 0.00 2.46 -0.33 -5.02 115.29 112.34 3fwe s HIS 199 Ca -0.11 0.73 0.00 0.00 0.47 0.00 0.00 55.06 56.16 3fwe s HIS 199 Cb -0.15 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 3fwe s HIS 199 CO 0.05 -0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.53 3fwe n GLY 200 N 3.86 3.30 1.18 1.59 0.00 -1.26 -0.58 105.19 113.29 3fwe n GLY 200 Ca -0.22 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3fwe n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fwe n LYS 201 N 14.00 2.54 -4.05 1.61 5.02 -1.26 -4.96 118.16 131.06 3fwe n LYS 201 Ca 0.00 -2.33 -0.31 0.00 -2.02 0.00 0.00 58.31 53.65 3fwe n LYS 201 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 3fwe n LYS 201 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fwe s THR 202 N -1.45 4.62 -0.05 -0.18 -4.23 0.26 -1.82 115.64 112.79 3fwe s THR 202 Ca 0.40 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3fwe s THR 202 Cb 0.23 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.87 3fwe s THR 202 CO 0.32 0.15 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.83 3fwe s ILE 203 N -1.37 0.90 -0.32 2.99 1.01 -0.19 -1.18 121.20 123.03 3fwe s ILE 203 Ca 0.29 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 3fwe s ILE 203 Cb -0.12 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3fwe s ILE 203 CO 0.21 0.30 0.36 -0.69 0.00 0.00 0.00 174.94 175.12 3fwe s VAL 204 N 0.61 5.17 -0.28 2.92 1.01 0.77 -0.64 120.40 129.97 3fwe s VAL 204 Ca -0.11 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 3fwe s VAL 204 Cb -0.14 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3fwe s VAL 204 CO 0.02 -0.02 0.62 -0.69 0.00 0.00 0.00 175.10 175.03 3fwe s VAL 205 N 2.02 4.97 0.46 2.92 1.01 -0.27 -1.56 120.40 129.96 3fwe s VAL 205 Ca 0.12 1.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.88 3fwe s VAL 205 Cb -0.16 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 3fwe s VAL 205 CO 0.11 -0.04 1.05 -0.31 0.00 0.00 0.00 175.10 175.91 3fwe s TYR 206 N 2.53 3.08 0.00 5.22 4.12 -0.92 -1.69 117.35 129.69 3fwe s TYR 206 Ca 0.25 1.60 0.00 0.00 0.02 0.00 0.00 57.07 58.94 3fwe s TYR 206 Cb -0.15 -3.10 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 3fwe s TYR 206 CO 0.10 -0.79 0.00 0.41 0.02 0.00 0.00 175.55 175.29 3fwe n GLY 207 N -0.03 2.98 0.05 0.71 0.00 -1.19 -4.93 105.19 102.79 3fwe n GLY 207 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 3fwe n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02