#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieu s LYS 2 N 0.00 0.17 -0.47 0.11 0.00 -1.26 -5.10 119.74 113.19 1ieu s LYS 2 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 55.97 55.93 1ieu s LYS 2 Cb 0.00 0.02 0.16 0.00 0.00 0.00 0.00 37.83 38.01 1ieu s LYS 2 CO 0.00 -0.24 0.35 0.16 0.00 0.00 0.00 175.35 175.62 1ieu s ASP 3 N 1.84 2.47 -0.51 0.03 -4.77 -1.26 -5.08 116.67 109.40 1ieu s ASP 3 Ca 0.16 -3.12 -0.29 0.00 -3.30 0.00 0.00 52.55 46.00 1ieu s ASP 3 Cb 0.04 -0.74 0.03 0.00 -1.09 0.00 0.00 42.92 41.16 1ieu s ASP 3 CO -0.14 -0.17 1.15 -0.69 0.70 0.00 0.00 175.17 176.01 1ieu s VAL 4 N -0.15 4.15 -0.28 2.11 1.01 -1.26 -4.94 120.40 121.05 1ieu s VAL 4 Ca 0.29 1.11 -0.08 0.00 0.00 0.00 0.00 61.98 63.29 1ieu s VAL 4 Cb -0.03 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1ieu s VAL 4 CO -0.16 -1.11 0.11 -1.59 0.00 0.00 0.00 175.10 172.35 1ieu s LYS 5 N 4.59 3.50 0.39 2.72 0.00 -1.26 -4.81 119.74 124.87 1ieu s LYS 5 Ca 0.46 -0.60 -0.23 0.00 0.00 0.00 0.00 55.97 55.60 1ieu s LYS 5 Cb -0.07 -3.44 -0.10 0.00 0.00 0.00 0.00 37.83 34.21 1ieu s LYS 5 CO 0.30 -0.30 0.96 0.71 0.00 0.00 0.00 175.35 177.02 1ieu s TYR 6 N 1.61 3.42 -0.21 1.78 2.02 -1.26 -2.51 117.35 122.20 1ieu s TYR 6 Ca 0.05 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.45 1ieu s TYR 6 Cb -0.16 -2.92 0.06 0.00 -0.40 0.00 0.00 41.96 38.54 1ieu s TYR 6 CO 0.05 -0.09 0.98 0.66 -1.57 0.00 0.00 175.55 175.57 1ieu n TYR 7 N -0.18 0.08 -1.63 2.71 4.01 -1.13 -4.85 117.16 116.17 1ieu n TYR 7 Ca 0.05 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1ieu n TYR 7 Cb 0.52 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1ieu n TYR 7 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ieu n THR 8 N -0.22 -5.17 0.24 -0.72 -2.24 -1.26 -4.08 114.28 100.83 1ieu n THR 8 Ca 0.02 2.32 0.08 0.00 -2.27 0.00 0.00 64.05 64.21 1ieu n THR 8 Cb 0.25 -3.16 0.59 0.00 -2.10 0.00 0.00 70.33 65.91 1ieu n THR 8 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1ieu h LEU 9 N 2.58 0.00 -1.72 3.22 -0.00 -1.94 -1.80 115.31 115.65 1ieu h LEU 9 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1ieu h LEU 9 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ieu h LEU 9 CO 0.00 0.17 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.18 1ieu h GLU 10 N 0.00 0.05 0.01 0.17 4.39 -1.98 -1.58 114.58 115.64 1ieu h GLU 10 Ca -0.00 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1ieu h GLU 10 Cb 0.34 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1ieu h GLU 10 CO 0.02 0.15 -1.29 1.49 -1.16 0.00 0.00 179.01 178.23 1ieu h GLU 11 N 0.05 0.02 0.00 2.33 4.57 -1.48 -3.27 114.58 116.79 1ieu h GLU 11 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ieu h GLU 11 Cb 0.21 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ieu h GLU 11 CO 0.01 0.82 0.00 0.82 -1.18 0.00 0.00 179.01 179.49 1ieu h ILE 12 N 0.00 0.00 -0.33 2.32 2.04 -1.07 -2.97 117.51 117.50 1ieu h ILE 12 Ca -0.12 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1ieu h ILE 12 Cb 1.87 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1ieu h ILE 12 CO 0.11 0.00 0.03 0.00 0.00 0.00 0.00 178.15 178.29 1ieu n GLN 13 N -3.09 2.99 -0.90 2.37 6.02 -0.66 -3.97 117.38 120.14 1ieu n GLN 13 Ca 0.02 -1.69 0.03 0.00 -0.01 0.00 0.00 57.00 55.35 1ieu n GLN 13 Cb 0.38 -1.89 0.16 0.00 1.02 0.00 0.00 30.24 29.91 1ieu n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ieu n LYS 14 N 0.28 1.44 -0.72 -1.09 3.00 -1.12 -4.70 118.16 115.24 1ieu n LYS 14 Ca 0.16 -3.13 0.05 0.00 -0.00 0.00 0.00 58.31 55.39 1ieu n LYS 14 Cb 0.79 -1.37 0.19 0.00 0.00 0.00 0.00 35.03 34.65 1ieu n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ieu n HIS 15 N -0.78 0.09 -1.82 5.64 8.25 -1.25 -4.72 115.22 120.63 1ieu n HIS 15 Ca 0.18 -1.45 -0.23 0.00 -0.26 0.00 0.00 57.72 55.96 1ieu n HIS 15 Cb 0.80 -0.25 0.06 0.00 1.12 0.00 0.00 29.99 31.72 1ieu n HIS 15 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ieu n LYS 16 N -0.99 3.18 -1.46 -0.41 4.76 -1.26 -4.46 118.16 117.52 1ieu n LYS 16 Ca 0.19 -3.87 0.04 0.00 -2.87 0.00 0.00 58.31 51.79 1ieu n LYS 16 Cb 0.73 -2.21 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ieu n ASP 17 N -0.81 0.91 0.00 4.39 8.00 -1.26 -4.99 116.55 122.79 1ieu n ASP 17 Ca 0.45 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1ieu n ASP 17 Cb 0.90 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1ieu n ASP 17 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ieu n SER 18 N 0.47 0.00 0.01 -2.24 7.64 -1.26 -5.11 113.62 113.14 1ieu n SER 18 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1ieu n SER 18 Cb 1.12 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 1ieu n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ieu n LYS 19 N -1.00 0.00 -1.80 1.43 4.81 -1.26 -5.11 118.16 115.23 1ieu n LYS 19 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1ieu n LYS 19 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1ieu n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ieu s SER 20 N -1.41 6.50 0.32 3.14 0.01 -1.26 -4.96 113.70 116.03 1ieu s SER 20 Ca 0.00 2.63 -0.06 0.00 1.31 0.00 0.00 55.95 59.84 1ieu s SER 20 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ieu s SER 20 CO 0.00 -0.96 0.49 0.28 0.41 0.00 0.00 173.24 173.45 1ieu s THR 21 N 2.91 0.00 0.26 1.44 -1.32 -1.26 -4.85 115.64 112.82 1ieu s THR 21 Ca 0.79 -1.52 0.07 0.00 -1.21 0.00 0.00 61.69 59.82 1ieu s THR 21 Cb -0.43 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.94 1ieu s THR 21 CO 0.35 0.00 -0.09 0.26 -2.21 0.00 0.00 174.62 172.93 1ieu s TRP 22 N -3.24 1.93 0.20 9.09 0.51 -1.26 -3.13 118.94 123.04 1ieu s TRP 22 Ca 0.28 -0.64 0.07 0.00 -2.12 0.00 0.00 56.10 53.69 1ieu s TRP 22 Cb -0.01 -1.04 -0.05 0.00 -0.81 0.00 0.00 33.47 31.57 1ieu s TRP 22 CO 0.17 0.34 -0.12 0.08 -0.51 0.00 0.00 176.95 176.91 1ieu s VAL 23 N -2.96 1.56 -0.16 4.03 1.01 -1.12 -4.84 120.40 117.92 1ieu s VAL 23 Ca 0.28 -2.16 -0.10 0.00 0.00 0.00 0.00 61.98 60.00 1ieu s VAL 23 Cb 0.02 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1ieu s VAL 23 CO 0.11 -0.58 0.18 -0.63 0.00 0.00 0.00 175.10 174.19 1ieu s ILE 24 N -3.08 5.39 -0.16 2.22 1.01 -1.26 -1.13 121.20 124.18 1ieu s ILE 24 Ca 0.22 0.31 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 1ieu s ILE 24 Cb 0.01 -3.50 0.08 0.00 0.01 0.00 0.00 42.46 39.06 1ieu s ILE 24 CO 0.06 0.48 0.31 -0.22 0.00 0.00 0.00 174.94 175.57 1ieu s LEU 25 N -0.05 -0.40 -1.31 2.97 1.98 -1.14 -4.88 118.68 115.85 1ieu s LEU 25 Ca 0.13 0.60 -0.08 0.00 -2.89 0.00 0.00 54.13 51.88 1ieu s LEU 25 Cb -0.12 0.88 0.01 0.00 0.66 0.00 0.00 46.19 47.62 1ieu s LEU 25 CO 0.02 -0.25 1.14 1.41 -1.89 0.00 0.00 176.35 176.78 1ieu n HIS 26 N 5.36 -2.76 -3.41 5.38 8.25 -1.26 -2.43 115.22 124.35 1ieu n HIS 26 Ca -0.06 0.98 -0.17 0.00 -0.26 0.00 0.00 57.72 58.20 1ieu n HIS 26 Cb 0.50 -4.92 0.09 0.00 1.12 0.00 0.00 29.99 26.78 1ieu n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ieu n HIS 27 N -4.89 -2.22 -4.19 4.41 -0.00 -1.26 -5.01 115.22 102.07 1ieu n HIS 27 Ca -0.01 0.92 -0.17 0.00 -0.00 0.00 0.00 57.72 58.47 1ieu n HIS 27 Cb 0.56 -4.96 -0.07 0.00 -0.00 0.00 0.00 29.99 25.52 1ieu n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1ieu s LYS 28 N -5.46 1.77 0.08 1.57 1.02 -1.02 -3.82 119.74 113.88 1ieu s LYS 28 Ca 0.09 -1.86 0.08 0.00 0.02 0.00 0.00 55.97 54.30 1ieu s LYS 28 Cb -0.04 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1ieu s LYS 28 CO 0.70 -0.69 -0.18 0.08 -0.92 0.00 0.00 175.35 174.34 1ieu s VAL 29 N -3.35 2.79 -0.33 3.17 1.01 -0.97 -2.87 120.40 119.84 1ieu s VAL 29 Ca 0.36 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ieu s VAL 29 Cb 0.02 -2.23 0.10 0.00 0.00 0.00 0.00 36.38 34.27 1ieu s VAL 29 CO 0.23 0.21 0.08 -0.31 0.00 0.00 0.00 175.10 175.31 1ieu s TYR 30 N -1.04 2.71 -0.84 5.22 1.51 -0.28 -2.98 117.35 121.65 1ieu s TYR 30 Ca 0.16 -2.39 -0.25 0.00 -1.01 0.00 0.00 57.07 53.59 1ieu s TYR 30 Cb -0.11 -2.31 -0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1ieu s TYR 30 CO 0.08 -0.91 1.83 0.34 -1.11 0.00 0.00 175.55 175.78 1ieu s ASP 31 N 1.20 5.40 -0.46 2.29 -1.08 -0.65 -2.81 116.67 120.55 1ieu s ASP 31 Ca 0.11 -0.52 0.04 0.00 -0.52 0.00 0.00 52.55 51.65 1ieu s ASP 31 Cb -0.18 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.29 1ieu s ASP 31 CO -0.16 -2.45 1.81 0.18 0.52 0.00 0.00 175.17 175.07 1ieu n LEU 32 N 12.81 6.34 0.23 -1.34 4.77 -1.18 -4.55 117.00 134.06 1ieu n LEU 32 Ca 0.33 -3.88 0.07 0.00 -0.03 0.00 0.00 56.01 52.50 1ieu n LEU 32 Cb 0.49 -0.80 0.54 0.00 -2.33 0.00 0.00 43.42 41.32 1ieu n LEU 32 CO 0.64 1.26 0.88 0.74 -1.33 0.00 0.00 177.39 179.58 1ieu h THR 33 N 1.07 0.95 0.00 -5.08 2.02 -1.86 -1.67 112.91 108.34 1ieu h THR 33 Ca 0.53 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 1ieu h THR 33 Cb 2.05 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1ieu h THR 33 CO 1.06 0.21 -1.77 2.29 0.37 0.00 0.00 175.52 177.67 1ieu n LYS 34 N -4.00 0.65 0.15 6.66 2.85 -1.26 -4.12 118.16 119.08 1ieu n LYS 34 Ca -0.02 -0.08 0.03 0.00 -1.05 0.00 0.00 58.31 57.19 1ieu n LYS 34 Cb 0.29 -1.61 0.17 0.00 -0.65 0.00 0.00 35.03 33.23 1ieu n LYS 34 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1ieu h PHE 35 N 0.00 0.00 0.00 5.58 3.04 -1.75 -2.11 116.94 121.70 1ieu h PHE 35 Ca -0.06 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 1ieu h PHE 35 Cb 1.16 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.67 1ieu h PHE 35 CO 0.00 0.50 -0.15 1.37 -2.02 0.00 0.00 178.31 178.00 1ieu h LEU 36 N 0.00 0.00 -3.00 0.59 8.10 -1.47 -2.49 115.31 117.04 1ieu h LEU 36 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1ieu h LEU 36 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.39 1ieu h LEU 36 CO 0.06 0.15 -0.47 1.21 -4.11 0.00 0.00 178.44 175.29 1ieu n GLU 37 N -4.05 1.51 -0.10 0.17 2.13 -1.13 -4.70 120.64 114.47 1ieu n GLU 37 Ca -0.02 -3.21 -0.22 0.00 0.66 0.00 0.00 57.16 54.37 1ieu n GLU 37 Cb 0.24 -1.56 -0.12 0.00 0.27 0.00 0.00 31.44 30.27 1ieu n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ieu n GLU 38 N -1.10 0.65 -3.64 5.31 4.07 -0.81 -4.94 120.64 120.18 1ieu n GLU 38 Ca 0.18 0.25 -0.32 0.00 -0.06 0.00 0.00 57.16 57.21 1ieu n GLU 38 Cb 0.70 -1.58 -0.05 0.00 -0.06 0.00 0.00 31.44 30.45 1ieu n GLU 38 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1ieu s HIS 39 N -2.51 3.49 -1.42 4.31 3.76 -1.25 -5.00 115.29 116.67 1ieu s HIS 39 Ca -0.33 0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 55.10 1ieu s HIS 39 Cb 0.10 -2.05 0.06 0.00 1.11 0.00 0.00 32.58 31.80 1ieu s HIS 39 CO 0.61 0.44 2.35 -0.35 -0.85 0.00 0.00 174.74 176.94 1ieu n PRO 40 N 0.25 3.67 0.00 8.40 -0.04 -1.26 -4.73 135.00 141.29 1ieu n PRO 40 Ca -0.03 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.47 1ieu n PRO 40 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1ieu n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ieu n GLY 41 N 3.07 0.15 2.88 0.55 0.00 -1.26 -5.06 105.19 105.53 1ieu n GLY 41 Ca 0.57 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.88 1ieu n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 42 N 0.00 4.62 1.87 -0.02 0.00 -1.26 -4.36 105.19 106.04 1ieu n GLY 42 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ieu n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ieu n GLU 43 N 4.35 0.00 -0.45 1.61 4.07 -1.26 -4.85 120.64 124.11 1ieu n GLU 43 Ca 0.42 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.56 1ieu n GLU 43 Cb 0.37 -0.06 0.22 0.00 -0.06 0.00 0.00 31.44 31.91 1ieu n GLU 43 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ieu n GLU 44 N -3.44 2.95 -0.30 5.31 -0.58 -1.26 -4.21 120.64 119.10 1ieu n GLU 44 Ca 0.00 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 1ieu n GLU 44 Cb 0.00 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1ieu n GLU 44 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ieu n VAL 45 N 0.41 0.00 -1.55 2.62 0.24 -1.26 -3.62 118.33 115.17 1ieu n VAL 45 Ca 0.15 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.26 1ieu n VAL 45 Cb 0.70 -0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 1ieu n VAL 45 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1ieu n LEU 46 N 0.00 1.51 0.00 1.34 0.00 -1.26 -3.07 117.00 115.52 1ieu n LEU 46 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 56.01 54.85 1ieu n LEU 46 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 41.91 1ieu n LEU 46 CO 0.00 -2.26 0.00 -2.11 0.00 0.00 0.00 177.39 173.02 1ieu n ARG 47 N 8.48 0.00 0.23 1.96 1.85 -1.26 -4.95 116.66 122.97 1ieu n ARG 47 Ca 0.48 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.44 1ieu n ARG 47 Cb 0.41 0.00 0.46 0.00 -1.05 0.00 0.00 32.46 32.28 1ieu n ARG 47 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1ieu h GLU 48 N 0.00 0.00 -7.00 2.89 4.81 -1.71 -3.44 114.58 110.13 1ieu h GLU 48 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1ieu h GLU 48 Cb 0.00 0.00 0.15 0.00 0.63 0.00 0.00 28.75 29.53 1ieu h GLU 48 CO 0.00 0.20 0.50 0.00 -0.73 0.00 0.00 179.01 178.98 1ieu n GLN 49 N -3.34 1.47 -1.37 1.92 10.64 -1.26 -4.90 117.38 120.55 1ieu n GLN 49 Ca 0.00 0.55 -0.01 0.00 -1.83 0.00 0.00 57.00 55.72 1ieu n GLN 49 Cb 0.43 -2.49 0.01 0.00 -0.86 0.00 0.00 30.24 27.33 1ieu n GLN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ieu n ALA 50 N -1.24 -1.02 -2.00 2.61 0.00 -1.26 -5.11 120.51 112.49 1ieu n ALA 50 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ieu n ALA 50 Cb 0.45 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1ieu n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ieu n GLY 51 N -0.18 1.14 0.00 0.00 0.00 -1.26 -5.13 105.19 99.76 1ieu n GLY 51 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ieu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 52 N 0.00 -1.13 2.21 -0.02 0.00 -1.26 -4.95 105.19 100.05 1ieu n GLY 52 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 1ieu n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ieu n ASP 53 N -0.39 6.42 -0.06 1.61 2.03 -1.26 -4.31 116.55 120.59 1ieu n ASP 53 Ca 0.00 -3.60 -0.09 0.00 0.52 0.00 0.00 54.79 51.61 1ieu n ASP 53 Cb 0.00 -0.94 -0.15 0.00 -0.72 0.00 0.00 41.12 39.31 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieu n ALA 54 N -0.78 1.49 -1.71 -1.67 0.00 -1.26 -4.81 120.51 111.77 1ieu n ALA 54 Ca 0.56 -1.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.57 1ieu n ALA 54 Cb 0.91 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1ieu n ALA 54 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ieu s THR 55 N -2.54 3.12 -0.19 0.00 -4.23 -1.26 -4.73 115.64 105.80 1ieu s THR 55 Ca -0.08 0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.66 1ieu s THR 55 Cb 0.07 -3.28 -0.22 0.00 1.34 0.00 0.00 72.50 70.41 1ieu s THR 55 CO 0.83 -0.26 0.03 1.21 -0.54 0.00 0.00 174.62 175.89 1ieu n GLU 56 N 8.99 0.91 -3.38 3.99 4.07 -1.26 -4.91 120.64 129.05 1ieu n GLU 56 Ca 0.31 0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 57.31 1ieu n GLU 56 Cb 0.53 -1.48 -0.09 0.00 -0.06 0.00 0.00 31.44 30.34 1ieu n GLU 56 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1ieu s ASN 57 N -5.41 0.48 0.00 4.31 0.01 -1.26 -5.04 114.94 108.02 1ieu s ASN 57 Ca -0.12 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1ieu s ASN 57 Cb 0.06 0.96 0.00 0.00 0.41 0.00 0.00 41.25 42.68 1ieu s ASN 57 CO 0.74 -0.31 0.69 0.49 -1.51 0.00 0.00 177.10 177.20 1ieu n PHE 58 N 5.35 0.00 -3.85 2.20 3.72 -1.26 -4.80 117.46 118.82 1ieu n PHE 58 Ca -0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 1ieu n PHE 58 Cb 0.50 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1ieu n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1ieu s GLU 59 N -2.04 3.47 0.00 -1.08 2.56 -1.24 -4.57 118.70 115.80 1ieu s GLU 59 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.97 54.46 1ieu s GLU 59 Cb 0.00 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1ieu s GLU 59 CO 0.00 0.48 0.00 -3.47 -0.56 0.00 0.00 175.26 171.71 1ieu n ASP 60 N -0.60 3.33 0.17 -1.70 -0.08 -1.26 -4.65 116.55 111.76 1ieu n ASP 60 Ca -0.06 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.35 1ieu n ASP 60 Cb 0.54 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.61 1ieu n ASP 60 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1ieu h VAL 61 N 0.00 0.00 -0.72 5.18 3.04 -2.01 -3.48 116.25 118.25 1ieu h VAL 61 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1ieu h VAL 61 Cb 0.93 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1ieu h VAL 61 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 1ieu n GLY 62 N -0.59 0.61 1.05 3.17 0.00 -1.26 -4.97 105.19 103.19 1ieu n GLY 62 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ieu n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ieu n HIS 63 N 0.00 -1.31 -3.97 1.61 8.25 -1.26 -5.05 115.22 113.49 1ieu n HIS 63 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1ieu n HIS 63 Cb 0.00 0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.21 1ieu n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ieu s SER 64 N -0.03 2.70 -1.71 0.41 1.04 -1.26 -4.81 113.70 110.03 1ieu s SER 64 Ca 0.00 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 1ieu s SER 64 Cb 0.00 -1.06 0.13 0.00 0.10 0.00 0.00 66.02 65.19 1ieu s SER 64 CO 0.00 -0.11 0.41 1.07 0.98 0.00 0.00 173.24 175.59 1ieu n THR 65 N 4.82 -0.72 -1.73 2.02 5.66 -1.26 -4.78 114.28 118.28 1ieu n THR 65 Ca -0.15 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.22 1ieu n THR 65 Cb 0.49 -1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.24 1ieu n THR 65 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ieu s ASP 66 N -3.73 5.48 -0.70 1.09 -4.77 -1.26 -4.91 116.67 107.87 1ieu s ASP 66 Ca 0.48 1.59 -0.21 0.00 -3.30 0.00 0.00 52.55 51.11 1ieu s ASP 66 Cb -0.27 -2.51 0.09 0.00 -1.09 0.00 0.00 42.92 39.13 1ieu s ASP 66 CO 0.99 -1.99 0.94 0.00 0.70 0.00 0.00 175.17 175.81 1ieu s ALA 67 N 8.29 3.25 -0.01 2.11 0.00 -1.26 -4.73 121.76 129.41 1ieu s ALA 67 Ca 0.93 -2.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 1ieu s ALA 67 Cb -0.28 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1ieu s ALA 67 CO 0.33 -2.72 0.00 2.89 0.00 0.00 0.00 175.76 176.27 1ieu n ARG 68 N 7.11 -0.87 -1.66 0.00 1.85 -1.26 -4.65 116.66 117.19 1ieu n ARG 68 Ca 0.01 1.07 0.00 0.00 -1.00 0.00 0.00 57.85 57.92 1ieu n ARG 68 Cb 0.45 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 1ieu n ARG 68 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1ieu n GLU 69 N 1.84 -4.34 0.20 2.89 2.13 -1.26 -4.68 120.64 117.42 1ieu n GLU 69 Ca -0.01 3.16 0.14 0.00 0.66 0.00 0.00 57.16 61.11 1ieu n GLU 69 Cb 0.27 -3.34 0.69 0.00 0.27 0.00 0.00 31.44 29.34 1ieu n GLU 69 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ieu h LEU 70 N 3.11 0.00 -8.33 4.31 5.85 -1.83 -3.41 115.31 115.01 1ieu h LEU 70 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1ieu h LEU 70 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ieu h LEU 70 CO 0.00 0.00 0.63 -1.54 -0.34 0.00 0.00 178.44 177.19 1ieu n SER 71 N -2.49 1.43 0.00 1.25 3.41 -1.26 -3.17 113.62 112.79 1ieu n SER 71 Ca -0.01 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1ieu n SER 71 Cb 0.12 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 1ieu n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ieu n LYS 72 N 8.42 0.00 -0.77 4.33 4.81 -1.26 -4.94 118.16 128.74 1ieu n LYS 72 Ca 0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.91 1ieu n LYS 72 Cb 0.40 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.72 1ieu n LYS 72 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ieu n THR 73 N -1.08 2.32 -2.12 3.15 -2.24 -1.19 -4.03 114.28 109.09 1ieu n THR 73 Ca 0.00 -1.20 0.01 0.00 -2.27 0.00 0.00 64.05 60.58 1ieu n THR 73 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1ieu n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ieu n TYR 74 N 0.15 0.00 -3.81 4.78 4.02 -1.26 -5.08 117.16 115.95 1ieu n TYR 74 Ca 0.28 -0.13 -0.31 0.00 -0.01 0.00 0.00 57.90 57.74 1ieu n TYR 74 Cb 1.11 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 40.35 1ieu n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ieu s ILE 75 N 0.00 5.29 -0.11 -0.72 1.01 -1.26 -1.63 121.20 123.77 1ieu s ILE 75 Ca 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1ieu s ILE 75 Cb 0.09 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 1ieu s ILE 75 CO -0.04 0.07 -0.09 2.30 0.00 0.00 0.00 174.94 177.18 1ieu n ILE 76 N 0.11 0.66 -0.81 2.92 -5.35 -1.16 -4.74 119.36 110.99 1ieu n ILE 76 Ca -0.04 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1ieu n ILE 76 Cb 0.52 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 1ieu n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ieu n GLY 77 N 2.90 2.02 1.74 3.28 0.00 -1.26 -4.64 105.19 109.23 1ieu n GLY 77 Ca -0.20 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1ieu n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ieu n GLU 78 N 0.00 1.24 -4.16 1.61 1.02 -1.05 -2.30 120.64 117.02 1ieu n GLU 78 Ca 0.00 -1.78 -0.35 0.00 -0.02 0.00 0.00 57.16 55.01 1ieu n GLU 78 Cb 0.00 0.59 -0.09 0.00 -0.02 0.00 0.00 31.44 31.92 1ieu n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ieu s LEU 79 N 0.00 3.80 0.31 -4.62 2.96 -1.25 -2.83 118.68 117.06 1ieu s LEU 79 Ca 0.03 0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 1ieu s LEU 79 Cb 0.00 -1.91 -0.11 0.00 0.50 0.00 0.00 46.19 44.67 1ieu s LEU 79 CO 0.02 0.31 1.46 -2.28 -1.32 0.00 0.00 176.35 174.54 1ieu s HIS 80 N -0.44 2.83 -0.56 5.38 2.46 -1.26 -4.90 115.29 118.81 1ieu s HIS 80 Ca 0.09 1.09 0.24 0.00 0.47 0.00 0.00 55.06 56.95 1ieu s HIS 80 Cb -0.12 -3.91 0.48 0.00 -0.13 0.00 0.00 32.58 28.90 1ieu s HIS 80 CO 0.02 -2.82 1.55 -1.00 -2.47 0.00 0.00 174.74 170.02 1ieu h PRO 81 N 4.06 0.00 -0.48 2.88 0.13 -1.97 -3.07 132.00 133.55 1ieu h PRO 81 Ca -0.48 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 1ieu h PRO 81 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1ieu h PRO 81 CO 0.72 0.00 0.48 0.38 -0.23 0.00 0.00 178.00 179.35 1ieu h ASP 82 N 0.00 0.00 0.00 1.44 2.03 -1.98 -3.14 116.42 114.77 1ieu h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ieu h ASP 82 Cb 0.85 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1ieu h ASP 82 CO 0.00 0.00 -0.92 0.47 -1.03 0.00 0.00 179.24 177.76 1ieu n ASP 83 N -3.79 3.81 -4.70 4.15 8.00 -1.25 -5.02 116.55 117.75 1ieu n ASP 83 Ca 0.09 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.16 1ieu n ASP 83 Cb 0.68 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1ieu n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1ieu n ARG 84 N -2.33 2.72 -1.67 -1.24 0.00 -1.16 -4.83 116.66 108.14 1ieu n ARG 84 Ca 0.00 0.99 -0.34 0.00 -0.00 0.00 0.00 57.85 58.50 1ieu n ARG 84 Cb 0.46 -2.85 -0.04 0.00 0.00 0.00 0.00 32.46 30.03 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ieu s SER 85 N 1.91 4.56 -0.04 6.15 0.01 -1.26 -4.39 113.70 120.63 1ieu s SER 85 Ca 0.79 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.81 1ieu s SER 85 Cb -0.51 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.25 1ieu s SER 85 CO 0.35 -2.89 0.53 1.17 0.41 0.00 0.00 173.24 172.81 1ieu n LYS 86 N 9.02 0.17 -3.65 12.44 4.81 -1.26 -5.15 118.16 134.53 1ieu n LYS 86 Ca 0.35 -0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.43 1ieu n LYS 86 Cb 0.53 0.21 -0.07 0.00 0.02 0.00 0.00 35.03 35.72 1ieu n LYS 86 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1ieu s ILE 87 N 0.02 0.03 0.56 3.15 -4.36 -1.26 -5.05 121.20 114.29 1ieu s ILE 87 Ca 0.01 -0.25 -0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1ieu s ILE 87 Cb 0.06 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 43.00 1ieu s ILE 87 CO -0.02 -0.14 0.83 0.00 0.24 0.00 0.00 174.94 175.85 1ieu s ALA 88 N -1.22 3.57 -0.12 2.27 0.00 -1.26 -5.04 121.76 119.96 1ieu s ALA 88 Ca -0.12 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 1ieu s ALA 88 Cb -0.03 -2.32 -0.19 0.00 0.00 0.00 0.00 23.12 20.57 1ieu s ALA 88 CO 0.07 -0.77 0.60 -0.22 0.00 0.00 0.00 175.76 175.43 1ieu h LYS 89 N -0.04 -0.01 -7.28 0.00 1.63 -2.05 -3.46 116.57 105.36 1ieu h LYS 89 Ca -0.44 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.85 1ieu h LYS 89 Cb 1.28 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 32.97 1ieu h LYS 89 CO 0.57 0.72 0.37 -1.25 -3.45 0.00 0.00 179.45 176.41 1ieu s PRO 90 N -2.14 3.60 0.00 1.90 0.04 -1.26 -4.97 135.00 132.18 1ieu s PRO 90 Ca -0.14 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1ieu s PRO 90 Cb -0.02 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ieu s PRO 90 CO 0.52 -0.50 0.00 -1.13 0.04 0.00 0.00 177.00 175.93 1ieu n SER 91 N -2.63 0.00 0.00 6.66 3.41 -1.26 -5.07 113.62 114.73 1ieu n SER 91 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ieu n SER 91 Cb 0.54 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1ieu n SER 91 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ieu n GLU 92 N -1.72 0.00 -3.61 4.33 0.28 -1.26 -5.15 120.64 113.51 1ieu n GLU 92 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1ieu n GLU 92 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1ieu n GLU 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1ieu s THR 93 N -1.25 0.00 -1.07 3.84 -1.32 -1.26 -5.34 115.64 109.24 1ieu s THR 93 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1ieu s THR 93 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1ieu s THR 93 CO 0.00 0.00 0.77 0.00 -2.21 0.00 0.00 174.62 173.18