#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 4.46 -0.59 -0.39 -4.23 -1.26 -5.07 115.64 108.56 3fwe s THR 7 Ca 0.00 -0.36 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 3fwe s THR 7 Cb 0.00 -2.95 0.19 0.00 1.34 0.00 0.00 72.50 71.07 3fwe s THR 7 CO 0.00 0.48 0.49 -0.67 -0.54 0.00 0.00 174.62 174.38 3fwe n ASP 8 N 1.67 1.92 -0.31 3.99 4.64 -1.26 -4.99 116.55 122.22 3fwe n ASP 8 Ca -0.16 -2.97 0.05 0.00 -1.38 0.00 0.00 54.79 50.33 3fwe n ASP 8 Cb 0.53 -0.68 0.25 0.00 -1.04 0.00 0.00 41.12 40.19 3fwe n ASP 8 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3fwe h PRO 9 N 5.15 0.96 -0.87 -0.67 0.13 -1.99 -1.30 132.00 133.41 3fwe h PRO 9 Ca 0.18 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3fwe h PRO 9 Cb 0.79 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 3fwe h PRO 9 CO 0.62 0.64 0.47 1.15 -0.23 0.00 0.00 178.00 180.64 3fwe h THR 10 N 0.99 1.25 -0.25 1.56 2.02 -1.99 0.21 112.91 116.70 3fwe h THR 10 Ca 0.42 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3fwe h THR 10 Cb 0.31 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3fwe h THR 10 CO -0.18 0.29 -0.04 0.25 0.37 0.00 0.00 175.52 176.21 3fwe h LEU 11 N 1.22 0.47 -0.63 2.58 6.46 -1.71 0.02 115.31 123.73 3fwe h LEU 11 Ca 0.31 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3fwe h LEU 11 Cb 0.04 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 3fwe h LEU 11 CO -0.05 0.71 0.30 -0.33 -0.62 0.00 0.00 178.44 178.45 3fwe h GLU 12 N 0.23 0.53 0.12 1.25 5.08 -1.06 0.26 114.58 120.99 3fwe h GLU 12 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3fwe h GLU 12 Cb 0.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fwe h GLU 12 CO 0.02 0.35 -0.06 2.35 -1.00 0.00 0.00 179.01 180.67 3fwe h TRP 13 N 0.54 -0.15 -0.62 4.33 7.01 -0.81 -1.02 115.95 125.24 3fwe h TRP 13 Ca 0.30 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.36 3fwe h TRP 13 Cb 0.28 0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.33 3fwe h TRP 13 CO -0.12 -0.08 0.30 0.35 -2.79 0.00 0.00 178.44 176.11 3fwe h PHE 14 N -0.18 0.55 -0.03 2.65 3.04 -0.47 -2.81 116.94 119.69 3fwe h PHE 14 Ca -0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 3fwe h PHE 14 Cb 0.14 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 3fwe h PHE 14 CO -0.06 0.23 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.94 3fwe h LEU 15 N 0.56 0.07 -2.25 0.59 3.38 -0.33 -2.49 115.31 114.82 3fwe h LEU 15 Ca 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3fwe h LEU 15 Cb 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fwe h LEU 15 CO -0.22 0.51 -0.05 0.77 0.09 0.00 0.00 178.44 179.54 3fwe h SER 16 N 0.05 0.00 -0.18 -0.43 4.64 -0.91 0.08 113.55 116.81 3fwe h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fwe h SER 16 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3fwe h SER 16 CO 0.06 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.48 3fwe n HIS 17 N -3.49 0.22 -4.14 4.77 8.25 -0.94 -4.94 115.22 114.94 3fwe n HIS 17 Ca -0.02 -0.11 -0.26 0.00 -0.26 0.00 0.00 57.72 57.07 3fwe n HIS 17 Cb 0.17 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.74 3.29 -0.23 0.00 3.76 -0.58 -4.89 115.29 114.90 3fwe s HIS 19 Ca 0.29 0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 3fwe s HIS 19 Cb -0.10 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 3fwe s HIS 19 CO 0.21 -0.07 0.14 0.42 -0.85 0.00 0.00 174.74 174.59 3fwe s ILE 20 N 1.52 5.25 0.10 0.60 1.01 -1.26 -0.48 121.20 127.95 3fwe s ILE 20 Ca 0.12 0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.01 3fwe s ILE 20 Cb -0.15 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3fwe s ILE 20 CO 0.08 0.36 -0.26 -1.00 0.00 0.00 0.00 174.94 174.12 3fwe s HIS 21 N 0.99 2.34 -0.15 3.97 3.76 -0.03 -4.95 115.29 121.22 3fwe s HIS 21 Ca 0.07 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.54 3fwe s HIS 21 Cb -0.13 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 3fwe s HIS 21 CO 0.04 0.29 0.08 0.15 -0.85 0.00 0.00 174.74 174.45 3fwe s LYS 22 N -1.84 3.73 -0.14 1.40 1.02 -1.26 -0.55 119.74 122.10 3fwe s LYS 22 Ca 0.14 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.86 3fwe s LYS 22 Cb -0.10 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 3fwe s LYS 22 CO 0.05 0.47 -0.17 0.71 -0.92 0.00 0.00 175.35 175.49 3fwe s TYR 23 N -0.18 2.31 0.73 3.18 2.02 -0.23 -5.01 117.35 120.18 3fwe s TYR 23 Ca 0.08 -1.20 -0.13 0.00 -0.37 0.00 0.00 57.07 55.45 3fwe s TYR 23 Cb -0.12 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3fwe s TYR 23 CO 0.01 -0.60 1.12 -1.25 -1.57 0.00 0.00 175.55 173.26 3fwe s PRO 24 N 1.09 2.34 0.42 -1.71 0.04 -1.26 -1.45 135.00 134.47 3fwe s PRO 24 Ca -0.03 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 3fwe s PRO 24 Cb -0.14 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3fwe s PRO 24 CO -0.05 -1.61 1.30 -1.13 0.04 0.00 0.00 177.00 175.54 3fwe n SER 25 N -3.01 2.69 0.00 6.66 3.41 -1.26 -2.42 113.62 119.69 3fwe n SER 25 Ca 0.11 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 3fwe n SER 25 Cb 0.52 -1.51 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 0.06 0.00 -2.54 4.33 4.01 0.16 -4.97 118.16 119.21 3fwe n LYS 26 Ca 0.06 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.49 3fwe n LYS 26 Cb 0.39 -1.31 -0.04 0.00 -0.51 0.00 0.00 35.03 33.56 3fwe n LYS 26 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3fwe s SER 27 N -2.99 6.87 0.17 4.39 1.04 -1.01 -4.66 113.70 117.51 3fwe s SER 27 Ca 0.00 2.07 -0.30 0.00 0.48 0.00 0.00 55.95 58.20 3fwe s SER 27 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 3fwe s SER 27 CO 0.00 -0.41 0.99 -0.89 0.98 0.00 0.00 173.24 173.91 3fwe s THR 28 N -1.57 4.18 -0.22 2.02 2.01 -1.26 -0.81 115.64 119.98 3fwe s THR 28 Ca 0.55 1.95 -0.16 0.00 0.31 0.00 0.00 61.69 64.34 3fwe s THR 28 Cb -0.24 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 67.92 3fwe s THR 28 CO 0.30 0.37 -0.23 0.18 -0.69 0.00 0.00 174.62 174.55 3fwe n LEU 29 N 2.20 1.92 -4.11 4.42 4.32 0.15 -4.92 117.00 120.98 3fwe n LEU 29 Ca 0.01 0.39 -0.32 0.00 -0.02 0.00 0.00 56.01 56.06 3fwe n LEU 29 Cb 0.48 -0.83 -0.16 0.00 -1.62 0.00 0.00 43.42 41.28 3fwe n LEU 29 CO 0.51 0.17 -0.52 -0.63 -1.22 0.00 0.00 177.39 175.70 3fwe s ILE 30 N -2.56 1.96 0.63 -0.08 1.01 -1.12 -4.98 121.20 116.06 3fwe s ILE 30 Ca -0.32 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 3fwe s ILE 30 Cb 0.09 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3fwe s ILE 30 CO 0.46 0.52 1.00 -1.00 0.00 0.00 0.00 174.94 175.92 3fwe s HIS 31 N 1.23 3.40 0.27 3.97 3.76 -1.26 -0.81 115.29 125.85 3fwe s HIS 31 Ca 0.03 0.98 -0.30 0.00 -0.15 0.00 0.00 55.06 55.61 3fwe s HIS 31 Cb -0.13 -2.83 -0.11 0.00 1.11 0.00 0.00 32.58 30.62 3fwe s HIS 31 CO -0.10 -0.88 1.59 -0.65 -0.85 0.00 0.00 174.74 173.84 3fwe s GLN 32 N -5.16 4.15 0.00 1.40 -0.21 -1.26 -3.14 119.66 115.44 3fwe s GLN 32 Ca 0.55 2.53 0.00 0.00 0.02 0.00 0.00 55.36 58.46 3fwe s GLN 32 Cb -0.11 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3fwe s GLN 32 CO 0.50 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 3fwe n GLY 33 N 2.54 0.50 3.65 3.09 0.00 -0.52 -4.99 105.19 109.46 3fwe n GLY 33 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3fwe n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwe s GLU 34 N -0.19 4.07 -0.21 1.61 2.02 -1.19 -4.77 118.70 120.04 3fwe s GLU 34 Ca 0.00 2.39 -0.37 0.00 0.02 0.00 0.00 54.97 57.01 3fwe s GLU 34 Cb 0.00 -4.12 -0.13 0.00 0.10 0.00 0.00 34.13 29.98 3fwe s GLU 34 CO 0.00 -1.02 1.88 1.17 0.02 0.00 0.00 175.26 177.31 3fwe n LYS 35 N 7.51 1.57 -2.51 1.61 4.81 -1.26 -4.45 118.16 125.44 3fwe n LYS 35 Ca 0.20 0.56 -0.43 0.00 -0.87 0.00 0.00 58.31 57.77 3fwe n LYS 35 Cb 0.42 -2.39 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 3fwe n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fwe s ALA 36 N 4.41 3.52 0.00 3.14 0.00 -0.38 -4.81 121.76 127.63 3fwe s ALA 36 Ca 0.98 0.16 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3fwe s ALA 36 Cb -0.88 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 18.56 3fwe s ALA 36 CO 0.57 -1.46 0.26 0.39 0.00 0.00 0.00 175.76 175.52 3fwe n GLU 37 N 6.90 0.00 -3.68 0.00 1.02 -1.26 -1.22 120.64 122.40 3fwe n GLU 37 Ca 0.13 -0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 56.92 3fwe n GLU 37 Cb 0.46 -0.42 -0.10 0.00 -0.02 0.00 0.00 31.44 31.35 3fwe n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fwe s THR 38 N 0.00 -0.18 -0.27 2.62 2.01 -1.26 -0.66 115.64 117.90 3fwe s THR 38 Ca 0.00 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 3fwe s THR 38 Cb 0.00 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3fwe s THR 38 CO 0.00 0.04 0.23 -0.11 -0.69 0.00 0.00 174.62 174.10 3fwe n LEU 39 N 4.55 -5.88 -4.38 4.42 7.94 -1.24 -4.68 117.00 117.73 3fwe n LEU 39 Ca -0.19 0.70 -0.27 0.00 -1.11 0.00 0.00 56.01 55.14 3fwe n LEU 39 Cb 0.54 -2.59 -0.12 0.00 0.53 0.00 0.00 43.42 41.78 3fwe n LEU 39 CO 0.05 -2.02 -0.54 -0.31 -1.11 0.00 0.00 177.39 173.46 3fwe s TYR 40 N -1.63 2.19 -0.05 1.96 2.02 -0.41 -0.42 117.35 121.01 3fwe s TYR 40 Ca 0.12 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3fwe s TYR 40 Cb -0.02 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3fwe s TYR 40 CO 0.58 0.38 0.05 -0.47 -1.57 0.00 0.00 175.55 174.53 3fwe s TYR 41 N -1.41 0.16 -0.32 2.71 5.04 0.14 -2.17 117.35 121.51 3fwe s TYR 41 Ca 0.16 0.16 -0.29 0.00 -2.44 0.00 0.00 57.07 54.66 3fwe s TYR 41 Cb -0.09 -0.54 -0.00 0.00 0.35 0.00 0.00 41.96 41.68 3fwe s TYR 41 CO 0.07 -0.23 1.45 0.42 -1.34 0.00 0.00 175.55 175.93 3fwe s ILE 42 N 2.14 3.90 0.00 3.14 1.01 -0.61 -0.40 121.20 130.38 3fwe s ILE 42 Ca 0.05 0.98 -0.04 0.00 0.00 0.00 0.00 60.65 61.64 3fwe s ILE 42 Cb -0.12 -4.03 -0.28 0.00 0.01 0.00 0.00 42.46 38.04 3fwe s ILE 42 CO -0.04 -0.52 0.85 0.58 0.00 0.00 0.00 174.94 175.81 3fwe h VAL 43 N 6.24 1.15 -2.76 2.92 2.07 -0.62 -0.27 116.25 124.99 3fwe h VAL 43 Ca -0.29 -2.78 -0.10 0.00 0.82 0.00 0.00 66.70 64.35 3fwe h VAL 43 Cb 1.12 2.77 -0.20 0.00 -1.52 0.00 0.00 31.29 33.46 3fwe h VAL 43 CO 1.04 0.82 -0.14 -0.75 0.02 0.00 0.00 177.57 178.56 3fwe s LYS 44 N -2.61 0.79 1.12 1.57 2.20 -0.85 -4.77 119.74 117.20 3fwe s LYS 44 Ca -0.09 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 3fwe s LYS 44 Cb 0.07 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 3fwe s LYS 44 CO 0.86 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 3fwe n GLY 45 N 1.12 -1.88 3.12 5.54 0.00 -1.26 -0.81 105.19 111.03 3fwe n GLY 45 Ca -0.21 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.00 0.97 0.18 1.61 1.04 -1.26 -2.54 113.70 109.70 3fwe s SER 46 Ca 0.00 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.65 3fwe s SER 46 Cb 0.00 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 3fwe s SER 46 CO 0.00 -0.38 -0.09 0.68 0.98 0.00 0.00 173.24 174.43 3fwe s VAL 47 N -2.78 1.30 -0.07 5.02 -7.23 0.30 -1.54 120.40 115.39 3fwe s VAL 47 Ca 0.03 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 3fwe s VAL 47 Cb -0.00 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 3fwe s VAL 47 CO -0.03 -0.63 -0.20 0.00 -0.31 0.00 0.00 175.10 173.93 3fwe s ALA 48 N -3.24 2.39 -0.24 1.32 0.00 0.65 -1.47 121.76 121.17 3fwe s ALA 48 Ca 0.20 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 3fwe s ALA 48 Cb 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3fwe s ALA 48 CO 0.04 0.42 0.28 0.08 0.00 0.00 0.00 175.76 176.58 3fwe s VAL 49 N -0.20 5.26 0.14 0.00 1.01 -0.07 -0.92 120.40 125.62 3fwe s VAL 49 Ca -0.01 0.42 0.11 0.00 0.00 0.00 0.00 61.98 62.49 3fwe s VAL 49 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3fwe s VAL 49 CO 0.03 0.26 -0.25 -0.76 0.00 0.00 0.00 175.10 174.38 3fwe s LEU 50 N 1.49 2.35 0.05 3.92 2.01 0.46 -0.19 118.68 128.77 3fwe s LEU 50 Ca 0.12 -0.77 0.01 0.00 0.01 0.00 0.00 54.13 53.50 3fwe s LEU 50 Cb -0.15 -1.14 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 3fwe s LEU 50 CO 0.08 0.14 -0.06 0.27 1.01 0.00 0.00 176.35 177.79 3fwe s ILE 51 N -1.26 0.44 0.20 -0.59 -5.25 -0.35 -1.24 121.20 113.16 3fwe s ILE 51 Ca 0.15 -1.32 -0.28 0.00 -0.99 0.00 0.00 60.65 58.20 3fwe s ILE 51 Cb -0.09 -0.88 -0.08 0.00 2.95 0.00 0.00 42.46 44.35 3fwe s ILE 51 CO 0.07 -0.59 0.87 -0.54 -1.79 0.00 0.00 174.94 172.96 3fwe s LYS 52 N -2.34 4.73 0.00 0.37 1.02 -1.26 -0.79 119.74 121.47 3fwe s LYS 52 Ca -0.04 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.29 3fwe s LYS 52 Cb -0.04 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3fwe s LYS 52 CO -0.02 0.53 0.00 -0.40 -0.92 0.00 0.00 175.35 174.54 3fwe n ASP 53 N 1.59 0.00 -4.75 2.83 3.85 -0.07 -4.88 116.55 115.12 3fwe n ASP 53 Ca -0.03 -0.19 -0.41 0.00 -0.71 0.00 0.00 54.79 53.45 3fwe n ASP 53 Cb 0.48 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.22 3fwe n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3fwe s GLU 54 N 0.70 4.34 0.00 0.11 2.02 -1.26 -2.85 118.70 121.77 3fwe s GLU 54 Ca 0.00 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.19 3fwe s GLU 54 Cb 0.00 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.12 3fwe s GLU 54 CO 0.00 -0.27 0.00 0.39 0.02 0.00 0.00 175.26 175.40 3fwe n GLU 55 N 1.69 0.00 0.00 1.61 -0.58 -1.26 -4.37 120.64 117.73 3fwe n GLU 55 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3fwe n GLU 55 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 3fwe n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fwe n GLY 56 N 0.00 0.53 3.85 0.62 0.00 -1.13 -5.16 105.19 103.90 3fwe n GLY 56 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.28 0.30 1.61 1.02 -1.26 -4.80 119.74 119.88 3fwe s LYS 57 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 3fwe s LYS 57 Cb 0.00 -3.00 -0.10 0.00 -0.52 0.00 0.00 37.83 34.21 3fwe s LYS 57 CO 0.00 0.67 1.21 -1.21 -0.92 0.00 0.00 175.35 175.11 3fwe s GLU 58 N -1.75 4.49 -0.02 1.68 2.02 -1.26 -0.89 118.70 122.97 3fwe s GLU 58 Ca 0.24 2.02 -0.04 0.00 0.02 0.00 0.00 54.97 57.21 3fwe s GLU 58 Cb -0.12 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.98 3fwe s GLU 58 CO 0.15 -0.01 0.08 1.41 0.02 0.00 0.00 175.26 176.91 3fwe s MET 59 N -1.50 0.22 -0.20 1.61 1.75 0.03 -4.92 119.30 116.29 3fwe s MET 59 Ca 0.47 -0.09 -0.14 0.00 -1.25 0.00 0.00 55.69 54.68 3fwe s MET 59 Cb -0.36 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.36 3fwe s MET 59 CO 0.46 -0.04 0.33 0.42 -0.65 0.00 0.00 175.02 175.54 3fwe s ILE 60 N -0.47 5.25 -0.15 10.11 1.09 -1.26 -1.21 121.20 134.57 3fwe s ILE 60 Ca -0.05 0.57 0.08 0.00 -1.10 0.00 0.00 60.65 60.15 3fwe s ILE 60 Cb -0.03 -3.66 -0.23 0.00 -1.06 0.00 0.00 42.46 37.47 3fwe s ILE 60 CO 0.00 0.30 0.24 0.18 -0.10 0.00 0.00 174.94 175.56 3fwe n LEU 61 N 4.23 1.38 -3.60 2.97 4.77 0.73 -4.98 117.00 122.50 3fwe n LEU 61 Ca -0.10 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 3fwe n LEU 61 Cb 0.51 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3fwe n LEU 61 CO 0.39 0.63 0.38 -0.55 -1.33 0.00 0.00 177.39 176.90 3fwe s SER 62 N -6.18 -0.65 -0.24 -1.43 0.15 -1.22 -5.00 113.70 99.13 3fwe s SER 62 Ca -0.16 1.00 -0.07 0.00 0.70 0.00 0.00 55.95 57.42 3fwe s SER 62 Cb 0.07 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.30 3fwe s SER 62 CO 0.77 -0.41 0.06 -0.31 1.20 0.00 0.00 173.24 174.55 3fwe s TYR 63 N -0.42 3.09 -0.06 3.44 2.02 -1.26 -0.89 117.35 123.26 3fwe s TYR 63 Ca -0.06 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3fwe s TYR 63 Cb -0.03 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3fwe s TYR 63 CO 0.05 -0.31 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.04 3fwe s LEU 64 N 1.45 2.53 0.50 -1.29 1.43 -0.54 -4.98 118.68 117.78 3fwe s LEU 64 Ca 0.05 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3fwe s LEU 64 Cb -0.15 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3fwe s LEU 64 CO 0.03 0.29 0.01 0.20 0.23 0.00 0.00 176.35 177.11 3fwe s ASN 65 N -0.41 4.08 -0.05 2.29 0.01 -1.26 -0.54 114.94 119.06 3fwe s ASN 65 Ca 0.04 -1.63 -0.38 0.00 -0.71 0.00 0.00 52.86 50.17 3fwe s ASN 65 Cb -0.12 0.45 -0.17 0.00 0.41 0.00 0.00 41.25 41.82 3fwe s ASN 65 CO 0.02 -0.82 1.44 1.67 -1.51 0.00 0.00 177.10 177.89 3fwe n GLN 66 N -1.23 0.99 -0.05 -0.60 7.27 -1.05 -0.86 117.38 121.84 3fwe n GLN 66 Ca -0.18 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.25 3fwe n GLN 66 Cb 0.67 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.33 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 2.95 0.66 3.87 1.69 0.00 -0.11 -5.03 105.19 109.22 3fwe n GLY 67 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.57 6.59 0.11 1.61 1.01 -0.04 -4.89 116.67 118.49 3fwe s ASP 68 Ca 0.00 1.10 0.00 0.00 0.71 0.00 0.00 52.55 54.36 3fwe s ASP 68 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3fwe s ASP 68 CO 0.00 -0.29 0.27 -0.36 0.21 0.00 0.00 175.17 175.00 3fwe s PHE 69 N -2.18 3.50 0.07 4.23 0.08 -1.26 -1.57 117.98 120.85 3fwe s PHE 69 Ca 0.51 0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.88 3fwe s PHE 69 Cb -0.10 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3fwe s PHE 69 CO 0.26 0.53 -0.21 0.42 -0.10 0.00 0.00 175.22 176.12 3fwe s ILE 70 N -1.64 1.70 -0.30 0.64 1.01 -0.92 -4.80 121.20 116.89 3fwe s ILE 70 Ca 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3fwe s ILE 70 Cb -0.12 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.84 3fwe s ILE 70 CO 0.28 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3fwe n GLY 71 N 1.49 0.60 0.23 6.18 0.00 -1.26 -1.29 105.19 111.15 3fwe n GLY 71 Ca -0.18 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.35 3fwe n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fwe h GLU 72 N 0.26 0.00 -0.05 1.61 9.09 -1.90 -3.07 114.58 120.52 3fwe h GLU 72 Ca -0.06 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.17 3fwe h GLU 72 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 3fwe h GLU 72 CO 0.08 0.15 -0.76 -0.07 0.05 0.00 0.00 179.01 178.47 3fwe h LEU 73 N 0.00 0.39 -1.02 3.06 4.07 -1.99 -3.21 115.31 116.61 3fwe h LEU 73 Ca -0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3fwe h LEU 73 Cb 0.78 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3fwe h LEU 73 CO 0.02 1.01 0.00 1.23 -1.08 0.00 0.00 178.44 179.62 3fwe h GLY 74 N 1.45 0.00 0.42 0.83 0.00 -1.82 -3.07 103.07 100.88 3fwe h GLY 74 Ca -0.03 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.49 3fwe h GLY 74 CO 0.12 0.00 0.57 -2.00 0.00 0.00 0.00 176.54 175.23 3fwe h LEU 75 N 0.00 0.33 -2.09 3.11 5.85 -1.58 0.19 115.31 121.12 3fwe h LEU 75 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3fwe h LEU 75 Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3fwe h LEU 75 CO 0.00 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.73 3fwe n PHE 76 N -4.47 0.25 -3.08 1.25 3.72 -1.16 -4.47 117.46 109.51 3fwe n PHE 76 Ca 0.17 -0.15 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 3fwe n PHE 76 Cb 0.69 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.21 3fwe n PHE 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fwe n GLU 77 N 1.20 0.87 -1.96 -1.08 -0.58 -0.06 -5.14 120.64 113.90 3fwe n GLU 77 Ca 0.15 -2.95 -0.41 0.00 -0.42 0.00 0.00 57.16 53.52 3fwe n GLU 77 Cb 0.53 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 3fwe n GLU 77 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3fwe s GLU 78 N -1.30 4.24 0.00 3.49 2.12 -0.52 -2.53 118.70 124.19 3fwe s GLU 78 Ca 0.35 2.38 0.00 0.00 0.36 0.00 0.00 54.97 58.06 3fwe s GLU 78 Cb 0.27 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.60 3fwe s GLU 78 CO -0.10 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 3fwe n GLY 79 N 1.58 0.28 3.74 -1.50 0.00 -0.35 -4.96 105.19 103.97 3fwe n GLY 79 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.95 4.12 -0.25 1.61 0.74 -1.05 -4.21 119.66 119.67 3fwe s GLN 80 Ca 0.00 2.60 -0.03 0.00 0.05 0.00 0.00 55.36 57.98 3fwe s GLN 80 Cb 0.00 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 31.08 3fwe s GLN 80 CO 0.00 -0.70 -0.02 -1.21 -0.55 0.00 0.00 175.29 172.81 3fwe s GLU 81 N 0.30 3.03 0.30 1.67 2.02 -1.26 -1.25 118.70 123.51 3fwe s GLU 81 Ca 0.69 -0.86 0.10 0.00 0.02 0.00 0.00 54.97 54.92 3fwe s GLU 81 Cb -0.49 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 3fwe s GLU 81 CO 0.40 -0.36 -0.03 0.50 0.02 0.00 0.00 175.26 175.80 3fwe s ARG 82 N 1.40 2.10 0.00 1.61 6.06 -1.26 -4.92 118.95 123.94 3fwe s ARG 82 Ca 0.02 -1.61 0.30 0.00 -2.50 0.00 0.00 55.73 51.94 3fwe s ARG 82 Cb -0.16 -2.00 1.43 0.00 0.06 0.00 0.00 34.95 34.27 3fwe s ARG 82 CO -0.03 0.27 2.01 0.43 -2.50 0.00 0.00 175.30 175.48 3fwe n SER 83 N -0.87 0.02 -4.74 -2.12 7.64 -1.26 -1.44 113.62 110.84 3fwe n SER 83 Ca -0.05 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.56 3fwe n SER 83 Cb 0.60 -0.33 0.13 0.00 -1.01 0.00 0.00 64.21 63.60 3fwe n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fwe s ALA 84 N -2.69 1.65 0.15 -0.43 0.00 -1.26 -4.75 121.76 114.42 3fwe s ALA 84 Ca 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 3fwe s ALA 84 Cb 0.20 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 3fwe s ALA 84 CO 0.48 -2.28 0.27 1.67 0.00 0.00 0.00 175.76 175.91 3fwe s TRP 85 N -3.06 0.33 -0.08 0.00 -2.14 -0.38 -3.99 118.94 109.63 3fwe s TRP 85 Ca 0.63 -0.70 0.03 0.00 2.66 0.00 0.00 56.10 58.72 3fwe s TRP 85 Cb -0.17 -0.04 0.01 0.00 -3.10 0.00 0.00 33.47 30.17 3fwe s TRP 85 CO 0.56 -0.69 -0.17 0.08 -2.66 0.00 0.00 176.95 174.06 3fwe s VAL 86 N -3.94 1.54 0.08 -0.66 1.01 0.01 -0.40 120.40 118.03 3fwe s VAL 86 Ca 0.14 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3fwe s VAL 86 Cb 0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3fwe s VAL 86 CO -0.02 0.44 -0.17 -0.60 0.00 0.00 0.00 175.10 174.75 3fwe s ARG 87 N 0.46 0.95 -0.15 2.72 3.52 -0.09 0.29 118.95 126.65 3fwe s ARG 87 Ca -0.15 -1.00 -0.29 0.00 -0.13 0.00 0.00 55.73 54.16 3fwe s ARG 87 Cb -0.16 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.17 3fwe s ARG 87 CO 0.06 0.24 1.30 0.00 -0.81 0.00 0.00 175.30 176.09 3fwe s ALA 88 N -1.18 3.65 -0.08 6.12 0.00 0.01 -0.25 121.76 130.03 3fwe s ALA 88 Ca 0.01 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 3fwe s ALA 88 Cb -0.10 -3.63 -0.24 0.00 0.00 0.00 0.00 23.12 19.15 3fwe s ALA 88 CO 0.03 -1.17 0.98 -0.22 0.00 0.00 0.00 175.76 175.37 3fwe h LYS 89 N 8.29 0.09 -5.22 0.00 3.64 -1.57 0.45 116.57 122.26 3fwe h LYS 89 Ca -0.28 -0.10 -0.66 0.00 -1.27 0.00 0.00 60.65 58.33 3fwe h LYS 89 Cb 1.11 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.83 3fwe h LYS 89 CO 0.96 0.89 -0.52 0.95 -2.27 0.00 0.00 179.45 179.46 3fwe s THR 90 N -2.98 1.16 0.05 1.00 -4.23 -1.16 -4.54 115.64 104.94 3fwe s THR 90 Ca -0.17 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.01 3fwe s THR 90 Cb -0.00 -2.24 -0.12 0.00 1.34 0.00 0.00 72.50 71.48 3fwe s THR 90 CO 0.72 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.59 3fwe n ALA 91 N -1.21 1.42 -2.23 3.99 0.00 -1.26 -4.06 120.51 117.17 3fwe n ALA 91 Ca -0.17 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 3fwe n ALA 91 Cb 0.67 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 3fwe n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fwe s GLU 93 N -3.71 2.33 -0.12 0.00 2.02 0.01 -1.07 118.70 118.17 3fwe s GLU 93 Ca 0.13 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3fwe s GLU 93 Cb 0.04 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.91 3fwe s GLU 93 CO -0.02 -0.33 -0.15 0.08 0.02 0.00 0.00 175.26 174.86 3fwe s VAL 94 N 1.39 1.48 0.08 2.63 1.01 0.29 0.18 120.40 127.45 3fwe s VAL 94 Ca 0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3fwe s VAL 94 Cb -0.15 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 3fwe s VAL 94 CO -0.10 0.44 0.77 0.00 0.00 0.00 0.00 175.10 176.21 3fwe s ALA 95 N 1.11 3.39 0.06 5.51 0.00 0.46 -0.85 121.76 131.44 3fwe s ALA 95 Ca -0.04 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.30 3fwe s ALA 95 Cb -0.14 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3fwe s ALA 95 CO -0.04 0.12 -0.20 -1.83 0.00 0.00 0.00 175.76 173.82 3fwe s GLU 96 N -0.34 1.26 -0.05 0.00 -1.05 0.37 0.28 118.70 119.17 3fwe s GLU 96 Ca 0.38 -0.97 -0.07 0.00 -0.15 0.00 0.00 54.97 54.16 3fwe s GLU 96 Cb -0.21 -1.40 0.01 0.00 -0.44 0.00 0.00 34.13 32.09 3fwe s GLU 96 CO 0.24 0.35 0.18 -1.50 0.95 0.00 0.00 175.26 175.48 3fwe s ILE 97 N -0.90 0.02 0.56 1.83 2.07 0.44 -1.53 121.20 123.69 3fwe s ILE 97 Ca 0.06 -0.16 -0.21 0.00 -1.41 0.00 0.00 60.65 58.94 3fwe s ILE 97 Cb -0.09 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 3fwe s ILE 97 CO 0.02 -0.09 1.30 -0.94 -1.91 0.00 0.00 174.94 173.32 3fwe s SER 98 N -0.25 5.24 0.25 4.50 1.04 -1.26 -4.18 113.70 119.04 3fwe s SER 98 Ca -0.03 2.62 -0.05 0.00 0.48 0.00 0.00 55.95 58.96 3fwe s SER 98 Cb -0.03 -2.62 0.31 0.00 0.10 0.00 0.00 66.02 63.78 3fwe s SER 98 CO 0.01 -1.57 1.90 1.88 0.98 0.00 0.00 173.24 176.43 3fwe h TYR 99 N 1.27 1.19 -0.28 5.02 0.99 -1.27 -2.10 116.97 121.79 3fwe h TYR 99 Ca -0.51 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.31 3fwe h TYR 99 Cb 1.30 -0.40 -0.06 0.00 1.00 0.00 0.00 36.73 38.58 3fwe h TYR 99 CO 0.46 0.69 -0.08 -0.22 -0.00 0.00 0.00 178.16 179.00 3fwe h LYS 100 N 1.23 -0.02 -0.38 4.88 3.64 -1.92 -1.15 116.57 122.85 3fwe h LYS 100 Ca 0.39 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.64 3fwe h LYS 100 Cb -0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3fwe h LYS 100 CO -0.12 -0.02 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.56 3fwe h LYS 101 N -0.02 0.85 -0.63 1.90 3.64 -1.91 -3.09 116.57 117.31 3fwe h LYS 101 Ca 0.14 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3fwe h LYS 101 Cb 0.23 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3fwe h LYS 101 CO -0.30 1.05 0.37 0.35 -2.27 0.00 0.00 179.45 178.65 3fwe h PHE 102 N 0.66 0.83 -0.24 1.91 3.57 -1.17 -1.84 116.94 120.65 3fwe h PHE 102 Ca 0.08 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3fwe h PHE 102 Cb 0.83 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3fwe h PHE 102 CO 0.06 0.56 -0.12 0.00 -2.23 0.00 0.00 178.31 176.59 3fwe h ARG 103 N 0.87 0.40 -0.28 1.11 3.08 -1.14 -0.87 114.38 117.55 3fwe h ARG 103 Ca 0.23 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3fwe h ARG 103 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3fwe h ARG 103 CO -0.04 0.52 -0.27 1.96 -1.07 0.00 0.00 179.97 181.07 3fwe h GLN 104 N 0.37 0.57 -0.30 0.04 4.20 -1.28 -3.19 115.11 115.51 3fwe h GLN 104 Ca 0.07 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 3fwe h GLN 104 Cb 0.44 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3fwe h GLN 104 CO 0.02 0.78 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.43 3fwe h LEU 105 N 0.49 0.89 -0.90 1.46 3.38 -0.73 -3.27 115.31 116.63 3fwe h LEU 105 Ca 0.07 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.70 3fwe h LEU 105 Cb 0.72 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 3fwe h LEU 105 CO 0.06 1.21 0.54 0.40 0.09 0.00 0.00 178.44 180.74 3fwe h ILE 106 N 0.65 0.93 -0.82 1.22 2.04 -1.17 -1.20 117.51 119.17 3fwe h ILE 106 Ca 0.03 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3fwe h ILE 106 Cb 1.05 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3fwe h ILE 106 CO 0.10 0.16 0.39 1.56 0.00 0.00 0.00 178.15 180.37 3fwe h GLN 107 N 0.90 1.18 0.30 2.37 1.08 -1.61 -2.94 115.11 116.39 3fwe h GLN 107 Ca 0.43 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 3fwe h GLN 107 Cb 0.38 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3fwe h GLN 107 CO -0.24 0.91 -0.14 0.28 -0.95 0.00 0.00 178.83 178.68 3fwe h VAL 108 N 1.17 0.71 -2.20 -0.54 2.07 -1.39 -3.44 116.25 112.62 3fwe h VAL 108 Ca 0.28 -0.60 -0.23 0.00 0.82 0.00 0.00 66.70 66.97 3fwe h VAL 108 Cb 0.13 1.01 -0.33 0.00 -1.52 0.00 0.00 31.29 30.58 3fwe h VAL 108 CO -0.03 0.12 -0.55 0.21 0.02 0.00 0.00 177.57 177.34 3fwe s ASN 109 N -5.09 0.76 0.00 0.57 3.84 -0.55 -5.04 114.94 109.43 3fwe s ASN 109 Ca -0.14 0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.08 3fwe s ASN 109 Cb 0.02 0.77 0.70 0.00 -0.55 0.00 0.00 41.25 42.20 3fwe s ASN 109 CO 0.55 -0.31 1.32 -0.81 -2.79 0.00 0.00 177.10 175.06 3fwe n PRO 110 N 5.34 0.83 -0.32 0.43 -0.04 -1.12 -4.31 135.00 135.81 3fwe n PRO 110 Ca -0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 3fwe n PRO 110 Cb 0.50 -1.22 0.09 0.00 -0.04 0.00 0.00 33.50 32.82 3fwe n PRO 110 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3fwe h ASP 111 N 0.00 1.02 0.07 3.54 3.58 -1.94 -1.35 116.42 121.34 3fwe h ASP 111 Ca 0.00 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.30 3fwe h ASP 111 Cb 0.00 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3fwe h ASP 111 CO 0.00 0.76 -0.37 0.40 -2.88 0.00 0.00 179.24 177.15 3fwe h ILE 112 N 1.19 1.29 -0.24 2.25 1.08 -1.95 -2.07 117.51 119.07 3fwe h ILE 112 Ca 0.32 -1.47 -0.09 0.00 -0.39 0.00 0.00 64.86 63.24 3fwe h ILE 112 Cb -0.11 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3fwe h ILE 112 CO -0.07 0.45 -0.23 0.25 -0.69 0.00 0.00 178.15 177.87 3fwe h LEU 113 N 0.35 0.44 -0.69 1.44 5.85 -1.73 -1.99 115.31 118.97 3fwe h LEU 113 Ca 0.04 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3fwe h LEU 113 Cb 0.80 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3fwe h LEU 113 CO 0.06 0.67 0.29 0.24 -0.34 0.00 0.00 178.44 179.37 3fwe h MET 114 N 0.39 1.02 -0.55 1.25 2.86 -0.80 0.13 114.93 119.23 3fwe h MET 114 Ca 0.06 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 3fwe h MET 114 Cb 0.61 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3fwe h MET 114 CO 0.04 0.84 -0.08 0.00 1.06 0.00 0.00 176.91 178.77 3fwe h ARG 115 N 0.98 1.02 -0.42 1.72 3.08 -1.20 0.14 114.38 119.70 3fwe h ARG 115 Ca 0.23 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3fwe h ARG 115 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3fwe h ARG 115 CO -0.02 1.06 0.13 1.25 -1.07 0.00 0.00 179.97 181.32 3fwe h LEU 116 N 0.90 0.61 -0.75 3.04 6.46 -1.23 -2.43 115.31 121.90 3fwe h LEU 116 Ca 0.14 -0.20 -0.13 0.00 -0.12 0.00 0.00 57.88 57.58 3fwe h LEU 116 Cb 0.65 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3fwe h LEU 116 CO 0.04 0.65 -0.44 0.28 -0.62 0.00 0.00 178.44 178.36 3fwe h SER 117 N 0.53 0.45 -0.77 1.25 0.02 -0.59 -2.42 113.55 112.02 3fwe h SER 117 Ca 0.14 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3fwe h SER 117 Cb 0.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3fwe h SER 117 CO -0.00 0.83 0.31 0.00 -1.14 0.00 0.00 176.83 176.82 3fwe h ALA 118 N 1.19 1.08 -0.40 3.77 0.00 -0.86 -0.40 119.26 123.64 3fwe h ALA 118 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fwe h ALA 118 Cb 0.91 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3fwe h ALA 118 CO 0.08 0.66 0.24 0.37 0.00 0.00 0.00 179.25 180.59 3fwe h GLN 119 N 1.13 0.55 -0.65 0.00 4.15 -1.19 -1.01 115.11 118.09 3fwe h GLN 119 Ca 0.26 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 3fwe h GLN 119 Cb 0.21 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3fwe h GLN 119 CO -0.02 0.41 0.17 0.52 -1.93 0.00 0.00 178.83 177.97 3fwe h MET 120 N 0.53 1.02 -0.36 1.69 2.86 -1.14 -2.27 114.93 117.26 3fwe h MET 120 Ca 0.14 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 3fwe h MET 120 Cb 0.00 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3fwe h MET 120 CO -0.03 0.90 -0.26 0.00 1.06 0.00 0.00 176.91 178.58 3fwe h ALA 121 N 1.20 0.86 -0.36 6.32 0.00 -0.82 -1.95 119.26 124.51 3fwe h ALA 121 Ca 0.21 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3fwe h ALA 121 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fwe h ALA 121 CO -0.00 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 3fwe h ARG 122 N 0.65 0.65 -0.35 0.00 3.08 -1.05 -2.66 114.38 114.70 3fwe h ARG 122 Ca 0.08 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 3fwe h ARG 122 Cb 0.77 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3fwe h ARG 122 CO 0.06 0.78 -0.37 -0.09 -1.07 0.00 0.00 179.97 179.28 3fwe h ARG 123 N 0.59 0.87 -0.48 0.04 2.43 -1.24 -1.17 114.38 115.42 3fwe h ARG 123 Ca 0.10 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3fwe h ARG 123 Cb 0.60 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3fwe h ARG 123 CO 0.04 1.11 0.27 -0.07 -1.51 0.00 0.00 179.97 179.81 3fwe h LEU 124 N 0.66 0.57 -0.25 3.80 3.38 -1.31 -1.98 115.31 120.18 3fwe h LEU 124 Ca 0.05 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3fwe h LEU 124 Cb 0.96 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3fwe h LEU 124 CO 0.09 0.46 -0.39 -0.61 0.09 0.00 0.00 178.44 178.08 3fwe h GLN 125 N 0.66 0.71 -0.72 1.13 5.75 -1.19 -2.46 115.11 118.99 3fwe h GLN 125 Ca 0.17 -0.42 0.03 0.00 -0.15 0.00 0.00 58.65 58.27 3fwe h GLN 125 Cb 0.01 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3fwe h GLN 125 CO -0.03 1.05 0.45 0.28 -2.65 0.00 0.00 178.83 177.93 3fwe h VAL 126 N 0.43 1.11 -0.64 2.39 2.07 -1.01 -2.30 116.25 118.30 3fwe h VAL 126 Ca 0.02 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3fwe h VAL 126 Cb 0.98 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3fwe h VAL 126 CO 0.09 0.16 0.32 0.74 0.02 0.00 0.00 177.57 178.90 3fwe h THR 127 N 0.89 1.21 0.00 2.57 2.02 -1.32 -2.61 112.91 115.67 3fwe h THR 127 Ca 0.28 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 3fwe h THR 127 Cb -0.00 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3fwe h THR 127 CO -0.10 0.24 -0.26 0.28 0.37 0.00 0.00 175.52 176.05 3fwe h SER 128 N 0.91 0.00 0.31 4.18 0.02 -0.93 -3.07 113.55 114.97 3fwe h SER 128 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3fwe h SER 128 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3fwe h SER 128 CO -0.03 0.26 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 3fwe n GLU 129 N -3.70 0.57 0.09 3.45 1.02 -0.98 -3.04 120.64 118.04 3fwe n GLU 129 Ca -0.01 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 3fwe n GLU 129 Cb 0.37 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.73 3fwe n GLU 129 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fwe n LYS 130 N -1.18 0.22 -3.04 3.49 5.02 -1.16 -4.81 118.16 116.70 3fwe n LYS 130 Ca 0.16 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.24 3fwe n LYS 130 Cb 0.17 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 3fwe n LYS 130 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fwe s VAL 131 N -3.09 5.01 0.00 -0.18 1.01 -1.17 -4.90 120.40 117.08 3fwe s VAL 131 Ca 0.11 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3fwe s VAL 131 Cb 0.13 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3fwe s VAL 131 CO 0.58 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.46 3fwe n GLY 132 N 3.36 0.00 3.82 4.51 0.00 -1.26 -5.12 105.19 110.50 3fwe n GLY 132 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3fwe n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwe s ASN 133 N 0.00 4.81 0.14 1.61 4.22 -1.26 -4.80 114.94 119.66 3fwe s ASN 133 Ca 0.00 1.31 -0.18 0.00 -2.14 0.00 0.00 52.86 51.85 3fwe s ASN 133 Cb 0.00 -2.08 -0.00 0.00 1.28 0.00 0.00 41.25 40.45 3fwe s ASN 133 CO 0.00 -1.77 1.75 -0.07 -2.04 0.00 0.00 177.10 174.97 3fwe h LEU 134 N -0.95 0.11 -0.66 3.54 3.38 -2.03 0.64 115.31 119.34 3fwe h LEU 134 Ca -0.46 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.63 3fwe h LEU 134 Cb 1.26 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 3fwe h LEU 134 CO 0.60 0.10 0.29 0.00 0.09 0.00 0.00 178.44 179.52 3fwe h ALA 135 N 1.17 0.89 -0.36 1.53 0.00 -1.99 -1.45 119.26 119.05 3fwe h ALA 135 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fwe h ALA 135 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fwe h ALA 135 CO -0.12 -0.13 0.23 0.35 0.00 0.00 0.00 179.25 179.59 3fwe h PHE 136 N 0.50 0.46 -0.47 0.00 3.57 -1.65 -1.09 116.94 118.26 3fwe h PHE 136 Ca 0.33 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3fwe h PHE 136 Cb 0.39 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3fwe h PHE 136 CO -0.14 0.30 0.13 -0.07 -2.23 0.00 0.00 178.31 176.30 3fwe h LEU 137 N 0.48 0.64 -0.17 0.59 3.38 -0.49 0.13 115.31 119.87 3fwe h LEU 137 Ca 0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3fwe h LEU 137 Cb -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3fwe h LEU 137 CO -0.03 0.63 -0.06 0.25 0.09 0.00 0.00 178.44 179.33 3fwe h LEU 138 N 0.68 0.34 -0.70 1.67 6.46 -0.98 -1.96 115.31 120.83 3fwe h LEU 138 Ca 0.16 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3fwe h LEU 138 Cb 0.24 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 3fwe h LEU 138 CO -0.01 0.65 0.46 0.58 -0.62 0.00 0.00 178.44 179.50 3fwe h VAL 139 N 0.03 1.17 -0.51 1.05 2.07 -0.87 -0.72 116.25 118.46 3fwe h VAL 139 Ca 0.04 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3fwe h VAL 139 Cb 0.51 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3fwe h VAL 139 CO 0.02 0.17 0.23 0.74 0.02 0.00 0.00 177.57 178.75 3fwe h THR 140 N 0.94 0.91 -0.47 2.57 2.02 -0.94 -0.64 112.91 117.28 3fwe h THR 140 Ca 0.26 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 3fwe h THR 140 Cb -0.09 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3fwe h THR 140 CO -0.06 0.08 -0.12 1.23 0.37 0.00 0.00 175.52 177.02 3fwe h GLY 141 N 0.45 0.95 1.16 2.16 0.00 -0.80 -0.63 103.07 106.36 3fwe h GLY 141 Ca 0.23 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 3fwe h GLY 141 CO -0.19 0.68 0.03 3.21 0.00 0.00 0.00 176.54 180.27 3fwe h ARG 142 N 0.78 1.01 -0.19 4.80 3.08 -0.89 0.58 114.38 123.56 3fwe h ARG 142 Ca 0.13 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3fwe h ARG 142 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3fwe h ARG 142 CO 0.04 0.98 0.01 0.82 -1.07 0.00 0.00 179.97 180.75 3fwe h ILE 143 N 0.93 1.24 -0.73 2.04 2.04 -0.90 -1.10 117.51 121.04 3fwe h ILE 143 Ca 0.17 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3fwe h ILE 143 Cb 0.51 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 3fwe h ILE 143 CO 0.02 0.25 0.43 0.00 0.00 0.00 0.00 178.15 178.86 3fwe h ALA 144 N 0.80 0.97 -0.52 1.87 0.00 -1.04 -2.12 119.26 119.23 3fwe h ALA 144 Ca 0.06 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fwe h ALA 144 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3fwe h ALA 144 CO 0.01 0.16 0.33 0.37 0.00 0.00 0.00 179.25 180.12 3fwe h GLN 145 N 0.81 0.64 -0.45 0.00 4.15 -0.72 -0.59 115.11 118.97 3fwe h GLN 145 Ca 0.31 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 3fwe h GLN 145 Cb 0.13 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3fwe h GLN 145 CO -0.16 0.43 0.19 1.15 -1.93 0.00 0.00 178.83 178.51 3fwe h THR 146 N 0.66 1.20 -0.34 2.39 2.02 -0.87 -1.57 112.91 116.40 3fwe h THR 146 Ca 0.20 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3fwe h THR 146 Cb -0.03 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3fwe h THR 146 CO -0.07 0.23 -0.06 -0.07 0.37 0.00 0.00 175.52 175.91 3fwe h LEU 147 N 0.58 0.65 -0.61 2.58 3.38 -1.21 -2.58 115.31 118.10 3fwe h LEU 147 Ca 0.15 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3fwe h LEU 147 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3fwe h LEU 147 CO -0.01 0.85 0.39 0.25 0.09 0.00 0.00 178.44 180.01 3fwe h LEU 148 N 0.44 0.71 -0.76 1.67 6.46 -0.99 -2.34 115.31 120.50 3fwe h LEU 148 Ca 0.09 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 3fwe h LEU 148 Cb 0.56 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 3fwe h LEU 148 CO 0.03 0.53 -0.03 0.78 -0.62 0.00 0.00 178.44 179.13 3fwe h ASN 149 N 0.82 0.89 -0.49 1.25 -0.26 -1.27 -2.81 115.58 113.71 3fwe h ASN 149 Ca 0.22 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 3fwe h ASN 149 Cb -0.07 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 36.92 3fwe h ASN 149 CO -0.05 0.96 0.28 -0.07 -1.06 0.00 0.00 177.43 177.50 3fwe h LEU 150 N 0.84 0.63 -1.09 1.61 3.38 -1.19 -2.00 115.31 117.49 3fwe h LEU 150 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fwe h LEU 150 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fwe h LEU 150 CO 0.03 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3fwe h ALA 151 N 1.59 1.00 0.00 1.53 0.00 -1.16 -2.59 119.26 119.62 3fwe h ALA 151 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fwe h ALA 151 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fwe h ALA 151 CO -0.03 0.00 -0.65 1.63 0.00 0.00 0.00 179.25 180.20 3fwe n LYS 152 N -2.69 0.16 -2.39 0.00 5.02 -0.77 -4.87 118.16 112.62 3fwe n LYS 152 Ca 0.01 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 3fwe n LYS 152 Cb 0.27 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3fwe n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3fwe s GLN 153 N -3.10 3.65 0.54 1.97 -1.52 -0.98 -4.96 119.66 115.26 3fwe s GLN 153 Ca 0.08 1.32 0.21 0.00 -1.95 0.00 0.00 55.36 55.02 3fwe s GLN 153 Cb 0.15 -2.07 1.45 0.00 -0.22 0.00 0.00 33.01 32.32 3fwe s GLN 153 CO 0.73 -0.55 2.17 -1.35 -0.25 0.00 0.00 175.29 176.03 3fwe h PRO 154 N 1.22 0.00 -0.28 2.91 0.11 -1.92 -2.27 132.00 131.77 3fwe h PRO 154 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fwe h PRO 154 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fwe h PRO 154 CO 0.59 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3fwe n ASP 155 N -4.22 1.40 -4.81 -2.05 5.68 -1.26 -4.85 116.55 106.44 3fwe n ASP 155 Ca -0.03 -2.01 -0.34 0.00 -0.50 0.00 0.00 54.79 51.90 3fwe n ASP 155 Cb 0.11 -0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 39.84 3fwe n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fwe s ALA 156 N -1.66 3.15 -0.05 2.12 0.00 -0.86 -4.96 121.76 119.50 3fwe s ALA 156 Ca 0.17 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 3fwe s ALA 156 Cb 0.09 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3fwe s ALA 156 CO 0.11 0.18 0.00 -1.64 0.00 0.00 0.00 175.76 174.41 3fwe s MET 157 N -2.73 2.91 0.04 0.00 -1.94 -0.48 -4.94 119.30 112.16 3fwe s MET 157 Ca 0.56 -0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 3fwe s MET 157 Cb -0.13 -2.74 -0.06 0.00 2.01 0.00 0.00 34.83 33.91 3fwe s MET 157 CO 0.17 0.67 1.27 0.99 -0.01 0.00 0.00 175.02 178.12 3fwe s THR 158 N -0.97 3.88 0.04 2.05 2.01 -1.26 0.37 115.64 121.75 3fwe s THR 158 Ca 0.16 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.53 3fwe s THR 158 Cb -0.11 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3fwe s THR 158 CO 0.06 0.06 -0.17 -2.28 -0.69 0.00 0.00 174.62 171.60 3fwe s HIS 159 N 1.56 1.51 0.38 4.92 5.04 0.06 -4.83 115.29 123.94 3fwe s HIS 159 Ca 0.60 -0.35 0.17 0.00 -1.54 0.00 0.00 55.06 53.94 3fwe s HIS 159 Cb -0.30 -0.90 1.08 0.00 0.04 0.00 0.00 32.58 32.49 3fwe s HIS 159 CO 0.27 0.06 1.75 -1.35 -2.34 0.00 0.00 174.74 173.13 3fwe h PRO 160 N 4.99 0.40 -0.00 2.88 0.11 -2.01 -0.25 132.00 138.11 3fwe h PRO 160 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3fwe h PRO 160 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fwe h PRO 160 CO 0.44 0.26 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.82 3fwe n ASP 161 N -4.70 0.69 0.00 -2.05 10.43 -1.26 -5.04 116.55 114.62 3fwe n ASP 161 Ca 0.27 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 57.15 3fwe n ASP 161 Cb 0.89 0.23 0.00 0.00 1.84 0.00 0.00 41.12 44.08 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 1.45 -0.47 3.26 0.44 0.00 -0.11 -2.54 105.19 107.23 3fwe n GLY 162 Ca 0.08 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.17 -0.23 1.61 -1.94 -0.55 -0.76 119.30 120.60 3fwe s MET 163 Ca 0.00 -0.80 -0.17 0.00 -1.71 0.00 0.00 55.69 53.00 3fwe s MET 163 Cb 0.00 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 3fwe s MET 163 CO 0.00 0.14 0.48 -1.14 -0.01 0.00 0.00 175.02 174.50 3fwe s GLN 164 N 0.47 4.12 0.27 2.03 0.74 0.16 -0.48 119.66 126.98 3fwe s GLN 164 Ca -0.13 0.31 0.11 0.00 0.05 0.00 0.00 55.36 55.70 3fwe s GLN 164 Cb -0.17 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 3fwe s GLN 164 CO 0.06 -0.22 -0.19 0.96 -0.55 0.00 0.00 175.29 175.35 3fwe s ILE 165 N 1.88 2.38 -0.20 -2.34 -4.36 0.91 -1.38 121.20 118.09 3fwe s ILE 165 Ca 0.21 -2.37 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 3fwe s ILE 165 Cb -0.15 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.30 3fwe s ILE 165 CO 0.09 -0.41 -0.17 -0.75 0.24 0.00 0.00 174.94 173.94 3fwe s LYS 166 N -3.53 2.70 -0.26 0.37 2.47 -1.26 -1.29 119.74 118.93 3fwe s LYS 166 Ca 0.29 -0.96 -0.26 0.00 -1.56 0.00 0.00 55.97 53.49 3fwe s LYS 166 Cb -0.04 -2.62 0.11 0.00 -1.46 0.00 0.00 37.83 33.82 3fwe s LYS 166 CO 0.14 -0.32 0.95 -1.50 0.16 0.00 0.00 175.35 174.78 3fwe s ILE 167 N 1.26 0.00 0.44 5.43 2.07 -0.86 -5.04 121.20 124.50 3fwe s ILE 167 Ca 0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 3fwe s ILE 167 Cb -0.15 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.42 3fwe s ILE 167 CO -0.10 0.00 0.69 0.42 -1.91 0.00 0.00 174.94 174.04 3fwe s THR 168 N 0.10 4.52 0.30 4.00 -4.23 -1.26 -4.64 115.64 114.42 3fwe s THR 168 Ca 0.02 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3fwe s THR 168 Cb -0.04 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.26 3fwe s THR 168 CO -0.03 -0.55 1.83 0.03 -0.54 0.00 0.00 174.62 175.36 3fwe h ARG 169 N 0.39 0.72 -0.44 3.99 3.08 -1.95 -1.66 114.38 118.51 3fwe h ARG 169 Ca -0.47 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.29 3fwe h ARG 169 Cb 1.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3fwe h ARG 169 CO 0.60 0.69 -0.23 -0.56 -1.07 0.00 0.00 179.97 179.40 3fwe h GLN 170 N 0.69 0.93 -0.59 0.04 -0.00 -1.95 -1.59 115.11 112.64 3fwe h GLN 170 Ca 0.15 -0.41 0.02 0.00 -0.00 0.00 0.00 58.65 58.41 3fwe h GLN 170 Cb 0.33 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.75 3fwe h GLN 170 CO 0.01 1.07 0.37 0.93 -0.00 0.00 0.00 178.83 181.21 3fwe h GLU 171 N 0.76 0.71 -0.12 0.06 5.08 -1.89 0.92 114.58 120.10 3fwe h GLU 171 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3fwe h GLU 171 Cb 0.80 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3fwe h GLU 171 CO 0.07 0.47 0.05 0.82 -1.00 0.00 0.00 179.01 179.42 3fwe h ILE 172 N 0.73 1.15 -0.47 3.13 2.04 -1.26 -2.43 117.51 120.41 3fwe h ILE 172 Ca 0.23 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3fwe h ILE 172 Cb 0.00 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3fwe h ILE 172 CO -0.09 0.13 0.31 1.23 0.00 0.00 0.00 178.15 179.73 3fwe h GLY 173 N 0.04 0.66 0.99 5.37 0.00 -1.02 -1.35 103.07 107.77 3fwe h GLY 173 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3fwe h GLY 173 CO -0.00 0.24 0.18 -1.61 0.00 0.00 0.00 176.54 175.35 3fwe h GLN 174 N 0.63 0.39 -0.01 4.80 4.15 -0.80 0.47 115.11 124.74 3fwe h GLN 174 Ca 0.17 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3fwe h GLN 174 Cb -0.07 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3fwe h GLN 174 CO -0.04 0.28 -0.01 0.82 -1.93 0.00 0.00 178.83 177.95 3fwe h ILE 175 N 0.38 0.96 0.00 2.39 2.04 -1.29 -3.17 117.51 118.82 3fwe h ILE 175 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 3fwe h ILE 175 Cb -0.01 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3fwe h ILE 175 CO -0.02 0.00 -0.46 0.58 0.00 0.00 0.00 178.15 178.25 3fwe h VAL 176 N -0.02 0.55 -1.19 1.67 2.07 -1.13 -3.48 116.25 114.71 3fwe h VAL 176 Ca 0.01 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3fwe h VAL 176 Cb 0.03 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3fwe h VAL 176 CO -0.02 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.49 3fwe n GLY 177 N 1.20 0.75 3.20 2.17 0.00 0.16 -5.06 105.19 107.61 3fwe n GLY 177 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.12 4.02 0.46 0.00 1.04 -1.26 -4.46 113.70 110.37 3fwe s SER 179 Ca 0.24 2.01 0.13 0.00 0.48 0.00 0.00 55.95 58.81 3fwe s SER 179 Cb 0.07 -2.55 1.03 0.00 0.10 0.00 0.00 66.02 64.67 3fwe s SER 179 CO 0.03 -2.37 2.05 -0.09 0.98 0.00 0.00 173.24 173.84 3fwe h ARG 180 N -1.17 0.15 -0.62 4.02 2.43 -1.96 -2.46 114.38 114.77 3fwe h ARG 180 Ca -0.44 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 3fwe h ARG 180 Cb 1.25 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3fwe h ARG 180 CO 0.48 0.18 0.10 0.93 -1.51 0.00 0.00 179.97 180.15 3fwe h GLU 181 N 0.15 1.03 -0.18 0.20 3.07 -1.97 -1.88 114.58 114.99 3fwe h GLU 181 Ca 0.04 -0.28 -0.12 0.00 -0.50 0.00 0.00 59.36 58.50 3fwe h GLU 181 Cb 0.14 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3fwe h GLU 181 CO 0.00 0.96 -0.40 1.15 -1.40 0.00 0.00 179.01 179.33 3fwe h THR 182 N 0.93 1.30 -0.24 1.13 2.02 -1.82 -2.04 112.91 114.20 3fwe h THR 182 Ca 0.19 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 3fwe h THR 182 Cb 0.44 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3fwe h THR 182 CO 0.01 0.47 0.01 0.58 0.37 0.00 0.00 175.52 176.96 3fwe h VAL 183 N 0.34 1.25 -0.13 3.16 2.07 -1.26 -1.95 116.25 119.73 3fwe h VAL 183 Ca 0.03 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3fwe h VAL 183 Cb 0.85 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3fwe h VAL 183 CO 0.07 0.27 -0.11 1.23 0.02 0.00 0.00 177.57 179.05 3fwe h GLY 184 N 0.19 -0.01 0.56 2.17 0.00 -1.26 -0.62 103.07 104.10 3fwe h GLY 184 Ca 0.07 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.65 3fwe h GLY 184 CO 0.01 -0.12 0.60 -0.09 0.00 0.00 0.00 176.54 176.94 3fwe h ARG 185 N -0.13 0.85 0.13 4.80 2.43 -1.30 -1.54 114.38 119.63 3fwe h ARG 185 Ca 0.09 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 3fwe h ARG 185 Cb 0.25 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3fwe h ARG 185 CO -0.21 0.56 -0.93 0.82 -1.51 0.00 0.00 179.97 178.70 3fwe h ILE 186 N 0.87 1.44 -0.67 1.20 2.04 -0.87 -2.43 117.51 119.09 3fwe h ILE 186 Ca 0.46 -2.47 0.01 0.00 1.00 0.00 0.00 64.86 63.86 3fwe h ILE 186 Cb 0.53 3.02 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 3fwe h ILE 186 CO -0.22 0.72 0.44 -0.07 0.00 0.00 0.00 178.15 179.01 3fwe h LEU 187 N -0.17 0.75 -0.19 1.44 4.07 -1.02 0.67 115.31 120.86 3fwe h LEU 187 Ca -0.15 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.80 3fwe h LEU 187 Cb 1.70 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.25 3fwe h LEU 187 CO 0.18 0.53 0.11 0.50 -1.08 0.00 0.00 178.44 178.68 3fwe h LYS 188 N 0.88 0.23 -0.38 1.13 3.64 -1.36 0.17 116.57 120.89 3fwe h LYS 188 Ca 0.25 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 3fwe h LYS 188 Cb -0.07 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 3fwe h LYS 188 CO -0.07 0.15 0.03 1.98 -2.27 0.00 0.00 179.45 179.27 3fwe h MET 189 N 0.23 0.14 -0.45 1.90 4.05 -1.09 0.12 114.93 119.83 3fwe h MET 189 Ca 0.07 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3fwe h MET 189 Cb -0.01 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3fwe h MET 189 CO -0.03 0.09 0.10 -0.07 0.23 0.00 0.00 176.91 177.23 3fwe h LEU 190 N 0.14 0.63 -0.28 3.39 3.38 -0.55 -0.39 115.31 121.62 3fwe h LEU 190 Ca 0.18 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 3fwe h LEU 190 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fwe h LEU 190 CO -0.28 0.63 -0.65 -0.08 0.09 0.00 0.00 178.44 178.16 3fwe h GLU 191 N 0.66 0.78 -0.03 1.13 4.81 -0.60 0.11 114.58 121.44 3fwe h GLU 191 Ca 0.15 -0.55 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3fwe h GLU 191 Cb 0.26 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3fwe h GLU 191 CO -0.00 1.17 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.68 3fwe h ASP 192 N 0.57 0.06 -0.03 1.04 3.32 -0.45 -1.82 116.42 119.11 3fwe h ASP 192 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fwe h ASP 192 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3fwe h ASP 192 CO 0.13 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 3fwe n GLN 193 N -4.13 1.22 -3.52 3.56 1.13 -0.18 -4.93 117.38 110.53 3fwe n GLN 193 Ca -0.02 -0.33 -0.21 0.00 -1.94 0.00 0.00 57.00 54.51 3fwe n GLN 193 Cb 0.38 -1.42 0.08 0.00 0.11 0.00 0.00 30.24 29.40 3fwe n GLN 193 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fwe n ASN 194 N -0.54 -4.41 -0.07 1.08 3.02 -0.68 -4.92 115.26 108.74 3fwe n ASN 194 Ca 0.19 -0.58 -0.08 0.00 -0.03 0.00 0.00 54.58 54.08 3fwe n ASN 194 Cb 0.17 -5.07 -0.10 0.00 -0.61 0.00 0.00 39.78 34.17 3fwe n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fwe n LEU 195 N -4.60 0.72 -4.25 3.41 4.77 0.01 -4.93 117.00 112.12 3fwe n LEU 195 Ca -0.13 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.69 3fwe n LEU 195 Cb 0.61 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3fwe n LEU 195 CO 0.63 0.44 -0.24 0.27 -1.33 0.00 0.00 177.39 177.16 3fwe s ILE 196 N -2.33 0.23 0.05 -0.08 -4.36 -1.16 -1.44 121.20 112.12 3fwe s ILE 196 Ca -0.11 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 3fwe s ILE 196 Cb 0.04 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 3fwe s ILE 196 CO 0.51 0.00 -0.18 -0.94 0.24 0.00 0.00 174.94 174.57 3fwe s SER 197 N -3.23 2.15 -0.05 4.36 1.04 -0.46 -4.22 113.70 113.29 3fwe s SER 197 Ca 0.39 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.36 3fwe s SER 197 Cb 0.07 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3fwe s SER 197 CO 0.13 0.10 -0.21 0.00 0.98 0.00 0.00 173.24 174.24 3fwe s ALA 198 N -0.85 1.81 -0.39 5.32 0.00 -1.26 -0.98 121.76 125.40 3fwe s ALA 198 Ca 0.05 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3fwe s ALA 198 Cb -0.09 -0.57 0.16 0.00 0.00 0.00 0.00 23.12 22.63 3fwe s ALA 198 CO 0.02 0.35 0.41 -1.58 0.00 0.00 0.00 175.76 174.96 3fwe s HIS 199 N -0.10 -0.27 0.00 0.00 2.46 0.54 -5.02 115.29 112.90 3fwe s HIS 199 Ca -0.02 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 54.54 3fwe s HIS 199 Cb -0.12 -0.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.94 3fwe s HIS 199 CO 0.02 -0.98 0.00 0.41 -2.47 0.00 0.00 174.74 171.72 3fwe n GLY 200 N 3.96 2.57 0.15 1.59 0.00 -1.26 -2.00 105.19 110.21 3fwe n GLY 200 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.86 3fwe n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fwe h LYS 201 N 0.00 0.00 -6.22 1.61 6.56 -1.97 -3.46 116.57 113.10 3fwe h LYS 201 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 3fwe h LYS 201 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 3fwe h LYS 201 CO 0.00 0.54 0.55 0.99 -2.06 0.00 0.00 179.45 179.48 3fwe s THR 202 N -3.46 4.79 -0.08 -0.16 2.01 -0.85 -2.02 115.64 115.87 3fwe s THR 202 Ca -0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.02 3fwe s THR 202 Cb 0.11 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.34 3fwe s THR 202 CO 0.73 0.00 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.91 3fwe s ILE 203 N 2.05 1.27 -0.29 1.82 1.01 -0.41 -0.34 121.20 126.31 3fwe s ILE 203 Ca 0.47 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 3fwe s ILE 203 Cb -0.18 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3fwe s ILE 203 CO 0.17 0.39 0.19 -0.69 0.00 0.00 0.00 174.94 174.99 3fwe s VAL 204 N 0.82 5.21 -0.27 2.92 1.01 -0.15 -0.06 120.40 129.87 3fwe s VAL 204 Ca -0.11 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 3fwe s VAL 204 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3fwe s VAL 204 CO 0.02 0.22 0.56 -0.69 0.00 0.00 0.00 175.10 175.21 3fwe s VAL 205 N 1.74 5.02 0.31 2.92 1.01 0.37 -1.36 120.40 130.42 3fwe s VAL 205 Ca 0.07 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3fwe s VAL 205 Cb -0.16 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3fwe s VAL 205 CO 0.10 0.01 1.16 -0.31 0.00 0.00 0.00 175.10 176.07 3fwe s TYR 206 N 2.41 3.39 0.00 5.22 4.12 -0.52 -1.49 117.35 130.48 3fwe s TYR 206 Ca 0.23 1.61 0.00 0.00 0.02 0.00 0.00 57.07 58.93 3fwe s TYR 206 Cb -0.15 -3.40 0.00 0.00 -1.52 0.00 0.00 41.96 36.89 3fwe s TYR 206 CO 0.10 -0.97 0.00 0.41 0.02 0.00 0.00 175.55 175.11