#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 0.52 0.26 -0.67 1.02 -1.26 -5.14 119.74 114.48 1ieu s LYS 2 Ca 0.00 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.44 1ieu s LYS 2 Cb 0.00 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1ieu s LYS 2 CO 0.00 -1.14 0.32 0.34 -0.92 0.00 0.00 175.35 173.95 1ieu s ASP 3 N 1.76 5.94 -0.74 2.83 -1.08 -1.26 -5.03 116.67 119.09 1ieu s ASP 3 Ca 0.14 -0.11 -0.26 0.00 -0.52 0.00 0.00 52.55 51.80 1ieu s ASP 3 Cb -0.15 -1.56 0.02 0.00 -1.46 0.00 0.00 42.92 39.77 1ieu s ASP 3 CO -0.14 -0.13 1.46 -0.69 0.52 0.00 0.00 175.17 176.18 1ieu s VAL 4 N -2.08 3.64 -0.29 1.11 1.01 -1.26 -4.87 120.40 117.65 1ieu s VAL 4 Ca 0.36 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 1ieu s VAL 4 Cb -0.08 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1ieu s VAL 4 CO 0.28 -1.61 0.87 -0.54 0.00 0.00 0.00 175.10 174.10 1ieu s LYS 5 N 6.03 4.04 0.37 2.72 1.02 -1.26 -4.62 119.74 128.04 1ieu s LYS 5 Ca 0.45 0.80 -0.24 0.00 0.02 0.00 0.00 55.97 56.99 1ieu s LYS 5 Cb -0.08 -3.71 -0.10 0.00 -0.52 0.00 0.00 37.83 33.42 1ieu s LYS 5 CO 0.14 -0.69 0.97 0.71 -0.92 0.00 0.00 175.35 175.55 1ieu s TYR 6 N 3.10 3.50 -0.01 3.18 2.02 -1.26 -3.11 117.35 124.76 1ieu s TYR 6 Ca 0.36 1.71 0.06 0.00 -0.37 0.00 0.00 57.07 58.83 1ieu s TYR 6 Cb -0.14 -2.95 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1ieu s TYR 6 CO 0.12 -0.06 -0.18 0.71 -1.57 0.00 0.00 175.55 174.56 1ieu s TYR 7 N -1.77 1.65 0.58 2.71 2.02 -1.12 -4.83 117.35 116.59 1ieu s TYR 7 Ca 0.55 -0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.73 1ieu s TYR 7 Cb -0.17 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1ieu s TYR 7 CO 0.22 -0.02 1.34 0.95 -1.57 0.00 0.00 175.55 176.47 1ieu s THR 8 N -0.45 2.06 0.39 -0.71 -4.23 -1.26 -3.37 115.64 108.07 1ieu s THR 8 Ca 0.07 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 60.77 1ieu s THR 8 Cb -0.07 -3.02 0.14 0.00 1.34 0.00 0.00 72.50 70.89 1ieu s THR 8 CO -0.01 -0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 175.90 1ieu h LEU 9 N 1.18 0.00 -2.29 4.79 4.07 -1.99 -2.19 115.31 118.89 1ieu h LEU 9 Ca -0.51 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 1ieu h LEU 9 Cb 1.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.05 1ieu h LEU 9 CO 0.56 0.29 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.83 1ieu h GLU 10 N 0.00 0.00 0.01 1.13 5.08 -2.00 -2.25 114.58 116.55 1ieu h GLU 10 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1ieu h GLU 10 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1ieu h GLU 10 CO 0.04 0.05 -1.73 -1.91 -1.00 0.00 0.00 179.01 174.45 1ieu n GLU 11 N -3.62 0.65 0.16 2.33 4.07 -0.83 -3.33 120.64 120.07 1ieu n GLU 11 Ca -0.02 0.30 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 1ieu n GLU 11 Cb 0.15 -1.79 -0.07 0.00 -0.06 0.00 0.00 31.44 29.67 1ieu n GLU 11 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1ieu h ILE 12 N 0.01 0.55 0.00 6.31 2.04 -1.29 -3.10 117.51 122.03 1ieu h ILE 12 Ca -0.30 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1ieu h ILE 12 Cb 2.01 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1ieu h ILE 12 CO 0.08 0.11 -0.07 0.06 0.00 0.00 0.00 178.15 178.33 1ieu h GLN 13 N -0.90 0.00 -0.26 2.37 3.07 -1.63 -2.13 115.11 115.64 1ieu h GLN 13 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.73 1ieu h GLN 13 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1ieu h GLN 13 CO 0.08 0.07 0.18 -0.22 0.09 0.00 0.00 178.83 179.02 1ieu h LYS 14 N 0.00 0.19 -6.22 0.06 3.64 -1.53 -3.39 116.57 109.31 1ieu h LYS 14 Ca -0.00 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 1ieu h LYS 14 Cb 0.20 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1ieu h LYS 14 CO 0.01 0.13 0.61 -1.01 -2.27 0.00 0.00 179.45 176.92 1ieu s HIS 15 N -5.22 3.48 -0.00 1.91 3.76 -0.80 -4.93 115.29 113.48 1ieu s HIS 15 Ca -0.06 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.41 1ieu s HIS 15 Cb 0.18 -3.21 -0.00 0.00 1.11 0.00 0.00 32.58 30.66 1ieu s HIS 15 CO 0.70 -0.28 -0.02 1.17 -0.85 0.00 0.00 174.74 175.47 1ieu n LYS 16 N 5.28 0.03 -1.33 1.40 0.00 -1.26 -4.77 118.16 117.50 1ieu n LYS 16 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 58.31 58.41 1ieu n LYS 16 Cb 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1ieu n LYS 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ieu n ASP 17 N -2.63 -0.06 -0.02 3.14 -0.08 -1.26 -4.86 116.55 110.77 1ieu n ASP 17 Ca -0.01 -0.84 -0.00 0.00 -1.51 0.00 0.00 54.79 52.43 1ieu n ASP 17 Cb 0.02 0.03 -0.00 0.00 2.34 0.00 0.00 41.12 43.51 1ieu n ASP 17 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1ieu h SER 18 N 0.03 0.00 0.00 1.67 0.87 -1.98 -3.46 113.55 110.69 1ieu h SER 18 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ieu h SER 18 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1ieu h SER 18 CO -0.01 0.22 -0.93 1.17 -0.53 0.00 0.00 176.83 176.75 1ieu n LYS 19 N -3.09 0.13 -3.57 2.24 4.81 -1.26 -5.09 118.16 112.33 1ieu n LYS 19 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1ieu n LYS 19 Cb 0.02 -0.96 -0.07 0.00 0.02 0.00 0.00 35.03 34.04 1ieu n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ieu s SER 20 N -3.89 -0.62 0.29 3.14 0.15 -1.26 -5.00 113.70 106.50 1ieu s SER 20 Ca 0.00 0.79 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 1ieu s SER 20 Cb 0.00 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1ieu s SER 20 CO 0.00 -0.52 0.52 0.28 1.20 0.00 0.00 173.24 174.72 1ieu s THR 21 N -0.90 0.00 0.26 6.45 -1.32 -1.26 -4.69 115.64 114.17 1ieu s THR 21 Ca -0.09 -1.39 0.06 0.00 -1.21 0.00 0.00 61.69 59.06 1ieu s THR 21 Cb -0.01 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.55 1ieu s THR 21 CO 0.08 0.00 -0.06 0.26 -2.21 0.00 0.00 174.62 172.69 1ieu s TRP 22 N -3.60 1.83 -0.02 9.09 0.51 -1.26 -2.88 118.94 122.61 1ieu s TRP 22 Ca 0.23 -0.72 0.05 0.00 -2.12 0.00 0.00 56.10 53.54 1ieu s TRP 22 Cb -0.01 -1.02 -0.01 0.00 -0.81 0.00 0.00 33.47 31.62 1ieu s TRP 22 CO 0.12 0.23 -0.18 0.08 -0.51 0.00 0.00 176.95 176.68 1ieu s VAL 23 N -3.09 1.44 -0.03 4.03 1.01 -0.84 -4.87 120.40 118.06 1ieu s VAL 23 Ca 0.28 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1ieu s VAL 23 Cb 0.03 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1ieu s VAL 23 CO 0.10 0.41 0.44 -0.63 0.00 0.00 0.00 175.10 175.42 1ieu s ILE 24 N -0.36 5.04 -0.48 2.22 1.09 -1.26 -1.36 121.20 126.09 1ieu s ILE 24 Ca 0.05 0.90 0.06 0.00 -1.10 0.00 0.00 60.65 60.57 1ieu s ILE 24 Cb -0.08 -3.76 0.39 0.00 -1.06 0.00 0.00 42.46 37.96 1ieu s ILE 24 CO -0.00 0.51 1.03 0.18 -0.10 0.00 0.00 174.94 176.55 1ieu n LEU 25 N 2.34 4.22 -2.57 2.97 7.99 -1.15 -4.98 117.00 125.82 1ieu n LEU 25 Ca -0.12 -5.26 -0.02 0.00 -0.01 0.00 0.00 56.01 50.60 1ieu n LEU 25 Cb 0.52 -0.38 -0.02 0.00 -0.11 0.00 0.00 43.42 43.44 1ieu n LEU 25 CO 0.39 2.23 -0.53 1.41 -1.51 0.00 0.00 177.39 179.39 1ieu n HIS 26 N -0.34 -3.88 -3.15 -1.77 8.25 -1.26 -4.46 115.22 108.61 1ieu n HIS 26 Ca 0.33 1.95 -0.14 0.00 -0.26 0.00 0.00 57.72 59.60 1ieu n HIS 26 Cb 0.58 -3.79 0.07 0.00 1.12 0.00 0.00 29.99 27.97 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 1.02 -2.26 -3.64 4.41 -0.00 -1.26 -5.02 115.22 108.48 1ieu n HIS 27 Ca -0.16 0.81 -0.03 0.00 -0.00 0.00 0.00 57.72 58.34 1ieu n HIS 27 Cb 0.25 -4.14 -0.05 0.00 -0.00 0.00 0.00 29.99 26.05 1ieu n HIS 27 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1ieu s LYS 28 N -4.43 0.12 -0.07 1.57 2.47 -1.26 -4.46 119.74 113.68 1ieu s LYS 28 Ca 0.37 0.05 0.05 0.00 -1.56 0.00 0.00 55.97 54.88 1ieu s LYS 28 Cb -0.05 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.37 1ieu s LYS 28 CO 0.69 -0.03 -0.24 0.08 0.16 0.00 0.00 175.35 176.00 1ieu s VAL 29 N -0.78 2.04 -0.40 4.02 1.01 -0.93 -2.94 120.40 122.42 1ieu s VAL 29 Ca 0.07 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1ieu s VAL 29 Cb -0.02 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.74 1ieu s VAL 29 CO -0.09 0.56 0.17 -0.31 0.00 0.00 0.00 175.10 175.44 1ieu s TYR 30 N 0.01 3.62 -0.86 5.22 1.51 -0.46 -2.20 117.35 124.18 1ieu s TYR 30 Ca -0.09 -2.65 -0.25 0.00 -1.01 0.00 0.00 57.07 53.07 1ieu s TYR 30 Cb -0.15 -3.12 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 1ieu s TYR 30 CO 0.05 -0.95 1.77 0.34 -1.11 0.00 0.00 175.55 175.65 1ieu s ASP 31 N 1.38 5.55 -0.67 2.29 2.15 -0.82 -1.99 116.67 124.57 1ieu s ASP 31 Ca 0.10 -0.65 -0.00 0.00 0.43 0.00 0.00 52.55 52.43 1ieu s ASP 31 Cb -0.22 -2.56 0.41 0.00 -0.30 0.00 0.00 42.92 40.25 1ieu s ASP 31 CO -0.05 -2.33 1.81 0.18 -0.17 0.00 0.00 175.17 174.61 1ieu n LEU 32 N 12.24 6.92 0.26 -1.34 4.77 -1.14 -4.57 117.00 134.14 1ieu n LEU 32 Ca 0.32 -4.70 0.12 0.00 -0.03 0.00 0.00 56.01 51.72 1ieu n LEU 32 Cb 0.49 -0.87 0.69 0.00 -2.33 0.00 0.00 43.42 41.40 1ieu n LEU 32 CO 0.64 1.77 0.96 0.00 -1.33 0.00 0.00 177.39 179.43 1ieu h THR 33 N 1.76 0.60 0.00 -5.08 1.03 -1.87 -2.49 112.91 106.87 1ieu h THR 33 Ca 0.52 -0.58 -0.10 0.00 -0.01 0.00 0.00 66.41 66.24 1ieu h THR 33 Cb 0.58 1.37 -0.02 0.00 -1.07 0.00 0.00 68.15 69.01 1ieu h THR 33 CO 1.34 0.13 -1.58 0.29 -0.01 0.00 0.00 175.52 175.69 1ieu n LYS 34 N -3.67 0.64 0.31 0.00 5.02 -1.26 -4.03 118.16 115.17 1ieu n LYS 34 Ca -0.02 0.05 0.20 0.00 -2.02 0.00 0.00 58.31 56.53 1ieu n LYS 34 Cb 0.25 -1.70 1.02 0.00 -0.02 0.00 0.00 35.03 34.58 1ieu n LYS 34 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1ieu h PHE 35 N 0.00 0.00 -0.50 2.13 3.04 -1.79 -1.97 116.94 117.86 1ieu h PHE 35 Ca -0.12 0.00 0.14 0.00 3.98 0.00 0.00 57.97 61.97 1ieu h PHE 35 Cb 1.35 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1ieu h PHE 35 CO 0.00 0.01 0.39 -0.07 -2.02 0.00 0.00 178.31 176.62 1ieu h LEU 36 N 0.00 0.00 -2.72 0.59 3.38 -1.69 -2.57 115.31 112.30 1ieu h LEU 36 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ieu h LEU 36 Cb 0.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.69 1ieu h LEU 36 CO 0.00 0.00 -0.81 -0.62 0.09 0.00 0.00 178.44 177.10 1ieu n GLU 37 N -4.20 0.16 -0.05 1.13 1.02 -0.91 -4.82 120.64 112.97 1ieu n GLU 37 Ca 0.09 -1.83 -0.10 0.00 -0.02 0.00 0.00 57.16 55.30 1ieu n GLU 37 Cb 0.60 -0.31 -0.15 0.00 -0.02 0.00 0.00 31.44 31.57 1ieu n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ieu n GLU 38 N 0.18 0.66 -3.83 3.49 0.00 -0.79 -4.92 120.64 115.42 1ieu n GLU 38 Ca 0.06 0.18 -0.31 0.00 0.00 0.00 0.00 57.16 57.09 1ieu n GLU 38 Cb 0.97 -1.68 -0.04 0.00 0.00 0.00 0.00 31.44 30.69 1ieu n GLU 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ieu s HIS 39 N -2.55 3.50 -1.92 4.31 3.76 -1.25 -4.99 115.29 116.14 1ieu s HIS 39 Ca -0.08 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1ieu s HIS 39 Cb 0.07 -1.84 0.16 0.00 1.11 0.00 0.00 32.58 32.08 1ieu s HIS 39 CO 0.82 0.53 1.11 -0.35 -0.85 0.00 0.00 174.74 176.00 1ieu n PRO 40 N 0.15 1.44 0.00 8.40 -0.04 -1.26 -4.78 135.00 138.91 1ieu n PRO 40 Ca -0.04 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1ieu n PRO 40 Cb 0.51 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.74 0.41 0.00 0.55 0.00 -1.26 -5.13 105.19 100.50 1ieu n GLY 41 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.05 0.00 -0.02 0.00 -1.26 -5.02 105.19 96.84 1ieu n GLY 42 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ieu n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ieu n GLU 43 N 0.00 0.00 -0.11 1.61 1.02 -1.23 -4.92 120.64 117.01 1ieu n GLU 43 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ieu n GLU 43 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1ieu n GLU 43 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ieu n GLU 44 N 0.00 0.77 0.00 3.49 0.28 -1.26 -4.98 120.64 118.94 1ieu n GLU 44 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1ieu n GLU 44 Cb 0.00 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1ieu n GLU 44 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1ieu n VAL 45 N -2.96 0.00 0.10 3.84 0.24 -1.25 -1.61 118.33 116.69 1ieu n VAL 45 Ca -0.36 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 61.89 1ieu n VAL 45 Cb 1.02 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.40 1ieu n VAL 45 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ieu h LEU 46 N 0.00 0.04 -2.02 1.34 4.07 -1.96 -3.19 115.31 113.59 1ieu h LEU 46 Ca 0.00 -0.03 0.14 0.00 0.08 0.00 0.00 57.88 58.06 1ieu h LEU 46 Cb 0.00 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1ieu h LEU 46 CO 0.00 0.84 0.38 -0.09 -1.08 0.00 0.00 178.44 178.49 1ieu h ARG 47 N 0.02 0.00 -2.96 1.13 1.12 -1.89 -3.43 114.38 108.37 1ieu h ARG 47 Ca -0.01 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.78 1ieu h ARG 47 Cb 1.45 0.00 -0.16 0.00 -0.01 0.00 0.00 29.97 31.24 1ieu h ARG 47 CO 0.11 0.00 -0.07 -1.83 -3.11 0.00 0.00 179.97 175.07 1ieu s GLU 48 N -4.90 0.95 0.00 0.20 -1.05 -0.63 -5.03 118.70 108.23 1ieu s GLU 48 Ca -0.05 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1ieu s GLU 48 Cb 0.18 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1ieu s GLU 48 CO 0.68 -0.33 0.00 0.94 0.95 0.00 0.00 175.26 177.50 1ieu n GLN 49 N 0.49 0.00 -2.56 -4.83 7.27 -1.26 -3.78 117.38 112.70 1ieu n GLN 49 Ca -0.18 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 56.83 1ieu n GLN 49 Cb 0.60 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.20 1ieu n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ieu n ALA 50 N -0.55 -3.56 -0.76 1.69 0.00 -1.26 -4.37 120.51 111.70 1ieu n ALA 50 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 53.44 55.73 1ieu n ALA 50 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 19.45 14.93 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 1.73 0.83 0.00 0.00 0.00 -1.26 -4.78 105.19 101.71 1ieu n GLY 51 Ca -0.39 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.76 0.09 -0.02 0.00 -1.26 -5.07 105.19 99.70 1ieu n GLY 52 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 2.03 -4.24 1.61 2.03 -1.26 -4.78 116.55 111.94 1ieu n ASP 53 Ca 0.00 -0.08 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 1ieu n ASP 53 Cb 0.00 0.05 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieu s ALA 54 N -2.40 4.00 -0.24 -1.67 0.00 -1.26 -5.03 121.76 115.15 1ieu s ALA 54 Ca -0.21 -3.40 -0.08 0.00 0.00 0.00 0.00 51.96 48.27 1ieu s ALA 54 Cb 0.06 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1ieu s ALA 54 CO 0.52 -2.21 0.09 0.95 0.00 0.00 0.00 175.76 175.11 1ieu s THR 55 N -0.16 4.55 -0.35 0.00 -4.23 -1.26 -4.98 115.64 109.21 1ieu s THR 55 Ca 0.19 -0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1ieu s THR 55 Cb -0.13 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.69 1ieu s THR 55 CO -0.07 0.34 0.08 -0.70 -0.54 0.00 0.00 174.62 173.73 1ieu s GLU 56 N 1.46 1.63 -1.30 3.99 2.12 -1.26 -4.71 118.70 120.64 1ieu s GLU 56 Ca 0.06 -1.84 -0.07 0.00 0.36 0.00 0.00 54.97 53.48 1ieu s GLU 56 Cb -0.15 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1ieu s GLU 56 CO 0.05 -0.95 1.12 0.09 -0.54 0.00 0.00 175.26 175.03 1ieu n ASN 57 N 4.34 -5.42 -2.21 -1.70 3.02 -1.26 -1.44 115.26 110.58 1ieu n ASN 57 Ca 0.02 -0.54 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 1ieu n ASN 57 Cb 0.42 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 34.61 1ieu n ASN 57 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ieu n PHE 58 N -4.77 -0.77 -1.45 3.10 7.35 -1.26 -4.65 117.46 115.01 1ieu n PHE 58 Ca -0.05 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.82 1ieu n PHE 58 Cb 0.58 -3.88 -0.07 0.00 0.35 0.00 0.00 39.48 36.46 1ieu n PHE 58 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ieu n GLU 59 N -2.87 -3.14 -1.46 -4.13 1.02 -0.52 -4.83 120.64 104.70 1ieu n GLU 59 Ca -0.24 2.40 -0.29 0.00 -0.02 0.00 0.00 57.16 59.00 1ieu n GLU 59 Cb 0.69 -3.75 0.13 0.00 -0.02 0.00 0.00 31.44 28.49 1ieu n GLU 59 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ieu s ASP 60 N -7.17 3.65 0.00 1.62 2.15 -1.26 -4.99 116.67 110.66 1ieu s ASP 60 Ca 0.00 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1ieu s ASP 60 Cb 0.00 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 1ieu s ASP 60 CO 0.00 -2.48 0.00 0.55 -0.17 0.00 0.00 175.17 173.07 1ieu n VAL 61 N -3.74 0.00 -3.33 1.11 3.14 -1.26 -4.21 118.33 110.04 1ieu n VAL 61 Ca 0.06 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.29 1ieu n VAL 61 Cb 0.58 -0.61 0.08 0.00 -1.06 0.00 0.00 33.84 32.83 1ieu n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ieu n GLY 62 N 2.92 -0.53 0.02 7.55 0.00 -1.26 -3.53 105.19 110.36 1ieu n GLY 62 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1ieu n GLY 62 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ieu h HIS 63 N -1.63 0.00 0.00 1.61 2.76 -1.95 -3.47 115.15 112.47 1ieu h HIS 63 Ca -0.57 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1ieu h HIS 63 Cb 1.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1ieu h HIS 63 CO 0.39 0.00 0.00 0.45 -1.30 0.00 0.00 177.93 177.47 1ieu n SER 64 N -3.04 -3.32 -3.65 3.26 2.88 -1.26 -5.13 113.62 103.36 1ieu n SER 64 Ca -0.01 0.79 -0.30 0.00 -1.33 0.00 0.00 58.87 58.02 1ieu n SER 64 Cb 0.03 3.18 0.27 0.00 -0.75 0.00 0.00 64.21 66.95 1ieu n SER 64 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ieu s THR 65 N -1.90 1.38 0.42 2.46 -4.23 -1.26 -5.00 115.64 107.52 1ieu s THR 65 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1ieu s THR 65 Cb 0.00 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.77 1ieu s THR 65 CO 0.00 0.00 0.29 -0.90 -0.54 0.00 0.00 174.62 173.47 1ieu n ASP 66 N -5.35 -2.22 -4.68 3.99 5.75 -1.26 -4.83 116.55 107.95 1ieu n ASP 66 Ca 0.12 -0.41 -0.42 0.00 -0.01 0.00 0.00 54.79 54.06 1ieu n ASP 66 Cb 0.59 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ieu s ALA 67 N -2.36 3.68 0.00 2.12 0.00 -1.26 -4.70 121.76 119.24 1ieu s ALA 67 Ca 0.21 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1ieu s ALA 67 Cb -0.03 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1ieu s ALA 67 CO 0.17 -1.28 0.00 -2.13 0.00 0.00 0.00 175.76 172.52 1ieu n ARG 68 N 6.25 0.00 -1.47 0.00 0.63 -1.26 -5.16 116.66 115.66 1ieu n ARG 68 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1ieu n ARG 68 Cb 0.40 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 33.22 1ieu n ARG 68 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ieu n GLU 69 N -2.07 -4.08 -2.16 -0.14 4.07 -1.26 -4.68 120.64 110.32 1ieu n GLU 69 Ca 0.00 2.95 -0.41 0.00 -0.06 0.00 0.00 57.16 59.63 1ieu n GLU 69 Cb 0.00 -3.23 -0.00 0.00 -0.06 0.00 0.00 31.44 28.15 1ieu n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ieu n LEU 70 N 0.38 7.35 -2.37 4.31 7.94 -1.26 -4.70 117.00 128.64 1ieu n LEU 70 Ca 0.00 -4.76 -0.35 0.00 -1.11 0.00 0.00 56.01 49.79 1ieu n LEU 70 Cb 0.00 -1.42 0.08 0.00 0.53 0.00 0.00 43.42 42.60 1ieu n LEU 70 CO 0.00 1.72 1.43 -1.54 -1.11 0.00 0.00 177.39 177.88 1ieu n SER 71 N 2.82 7.62 0.00 1.96 3.41 -1.26 -4.36 113.62 123.81 1ieu n SER 71 Ca 0.51 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1ieu n SER 71 Cb 0.31 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 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 -0.88 0.21 -0.55 4.33 4.81 -1.26 -4.77 118.16 120.05 1ieu n LYS 72 Ca 0.62 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 58.09 1ieu n LYS 72 Cb 0.64 -0.75 0.24 0.00 0.02 0.00 0.00 35.03 35.17 1ieu n LYS 72 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ieu n THR 73 N -1.92 1.68 -2.61 3.15 5.66 -1.26 -4.06 114.28 114.92 1ieu n THR 73 Ca 0.00 -0.85 -0.01 0.00 -3.05 0.00 0.00 64.05 60.14 1ieu n THR 73 Cb 0.25 -0.38 0.05 0.00 -1.55 0.00 0.00 70.33 68.69 1ieu n THR 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ieu n TYR 74 N 0.34 1.05 -4.31 1.09 4.01 -1.26 -5.07 117.16 113.01 1ieu n TYR 74 Ca 0.17 -1.71 -0.26 0.00 -0.16 0.00 0.00 57.90 55.94 1ieu n TYR 74 Cb 0.83 -0.22 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 1ieu n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ieu s ILE 75 N -2.92 3.19 0.00 -0.72 -1.09 -1.26 -1.95 121.20 116.45 1ieu s ILE 75 Ca 0.32 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.95 1ieu s ILE 75 Cb 0.35 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1ieu s ILE 75 CO -0.07 -0.20 0.00 2.30 -1.23 0.00 0.00 174.94 175.74 1ieu n ILE 76 N -0.25 0.00 -1.35 2.92 -5.35 -0.93 -4.62 119.36 109.77 1ieu n ILE 76 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1ieu n ILE 76 Cb 0.57 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 2.94 1.91 1.85 3.28 0.00 -1.25 -4.11 105.19 109.82 1ieu n GLY 77 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 0.98 -3.18 1.61 1.02 -1.18 -2.18 120.64 117.71 1ieu n GLU 78 Ca 0.00 -1.90 -0.39 0.00 -0.02 0.00 0.00 57.16 54.85 1ieu n GLU 78 Cb 0.00 0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 32.18 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 4.47 0.35 -4.62 1.98 -1.26 -2.80 118.68 116.80 1ieu s LEU 79 Ca 0.07 1.26 -0.27 0.00 -2.89 0.00 0.00 54.13 52.30 1ieu s LEU 79 Cb 0.00 -2.98 -0.12 0.00 0.66 0.00 0.00 46.19 43.75 1ieu s LEU 79 CO 0.05 0.15 1.12 1.57 -1.89 0.00 0.00 176.35 177.35 1ieu n HIS 80 N 2.34 1.64 0.50 5.38 -0.00 -1.22 -4.81 115.22 119.05 1ieu n HIS 80 Ca -0.07 0.60 0.12 0.00 -0.00 0.00 0.00 57.72 58.37 1ieu n HIS 80 Cb 0.51 -2.31 0.46 0.00 -0.00 0.00 0.00 29.99 28.65 1ieu n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ieu n PRO 81 N 0.47 0.19 -0.04 1.57 -0.04 -1.26 -2.43 135.00 133.46 1ieu n PRO 81 Ca 0.08 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1ieu n PRO 81 Cb 0.36 -1.80 0.50 0.00 -0.04 0.00 0.00 33.50 32.51 1ieu n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ieu h ASP 82 N 0.00 0.36 0.00 3.54 1.82 -2.01 -1.45 116.42 118.68 1ieu h ASP 82 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1ieu h ASP 82 Cb 0.46 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1ieu h ASP 82 CO 0.00 0.23 -1.37 0.47 -1.61 0.00 0.00 179.24 176.95 1ieu n ASP 83 N -4.47 3.55 -1.20 2.28 9.92 -1.21 -4.56 116.55 120.85 1ieu n ASP 83 Ca 0.08 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.38 1ieu n ASP 83 Cb 0.29 0.82 0.22 0.00 -0.64 0.00 0.00 41.12 41.81 1ieu n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1ieu n ARG 84 N -2.08 2.99 0.00 -1.24 0.00 -1.02 -4.43 116.66 110.88 1ieu n ARG 84 Ca -0.07 -1.68 0.00 0.00 -0.00 0.00 0.00 57.85 56.10 1ieu n ARG 84 Cb 0.55 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.16 1ieu n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ieu n SER 85 N 0.37 0.00 -2.84 6.15 2.88 -0.55 -4.88 113.62 114.76 1ieu n SER 85 Ca 0.15 0.15 -0.03 0.00 -1.33 0.00 0.00 58.87 57.80 1ieu n SER 85 Cb 0.72 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 1ieu n SER 85 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ieu s LYS 86 N -0.59 1.02 -0.26 -1.46 1.02 -1.26 -5.00 119.74 113.22 1ieu s LYS 86 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 1ieu s LYS 86 Cb 0.00 -0.02 -0.15 0.00 -0.52 0.00 0.00 37.83 37.14 1ieu s LYS 86 CO 0.00 -1.29 -0.20 -0.89 -0.92 0.00 0.00 175.35 172.05 1ieu n ILE 87 N 3.19 1.54 -0.06 2.17 2.08 -1.26 -4.68 119.36 122.33 1ieu n ILE 87 Ca 0.17 -0.37 -0.22 0.00 0.56 0.00 0.00 62.75 62.89 1ieu n ILE 87 Cb 0.56 -1.82 -0.12 0.00 -0.75 0.00 0.00 39.64 37.50 1ieu n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ieu h ALA 88 N -0.68 0.33 -5.20 -1.39 0.00 -1.95 -3.50 119.26 106.86 1ieu h ALA 88 Ca -0.61 -1.28 -0.00 0.00 0.00 0.00 0.00 54.91 53.02 1ieu h ALA 88 Cb 1.63 0.73 0.00 0.00 0.00 0.00 0.00 17.79 20.16 1ieu h ALA 88 CO -0.31 0.93 -0.85 1.17 0.00 0.00 0.00 179.25 180.20 1ieu n LYS 89 N -4.08 -3.15 -2.87 0.00 0.00 -1.26 -4.94 118.16 101.86 1ieu n LYS 89 Ca -0.32 2.58 -0.41 0.00 0.00 0.00 0.00 58.31 60.16 1ieu n LYS 89 Cb 0.82 -5.45 -0.04 0.00 0.00 0.00 0.00 35.03 30.36 1ieu n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ieu s PRO 90 N -1.94 4.35 -0.31 1.64 0.04 -1.26 -4.99 135.00 132.53 1ieu s PRO 90 Ca 0.08 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.09 1ieu s PRO 90 Cb -0.02 -3.55 0.19 0.00 0.04 0.00 0.00 34.50 31.16 1ieu s PRO 90 CO 0.78 -0.26 1.05 0.45 0.04 0.00 0.00 177.00 179.06 1ieu s SER 91 N 1.09 -0.36 -0.38 6.66 0.15 -1.26 -5.12 113.70 114.48 1ieu s SER 91 Ca 0.40 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.70 1ieu s SER 91 Cb -0.17 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1ieu s SER 91 CO 0.15 -0.05 1.20 -0.70 1.20 0.00 0.00 173.24 175.03 1ieu s GLU 92 N 2.49 3.84 0.16 5.44 2.56 -1.26 -4.97 118.70 126.96 1ieu s GLU 92 Ca 0.22 0.92 -0.22 0.00 0.00 0.00 0.00 54.97 55.89 1ieu s GLU 92 Cb 0.01 -3.87 0.07 0.00 2.00 0.00 0.00 34.13 32.33 1ieu s GLU 92 CO -0.19 -1.21 0.58 0.95 -0.56 0.00 0.00 175.26 174.83 1ieu s THR 93 N 4.35 0.01 -1.61 -1.70 -4.23 -1.26 -5.37 115.64 105.83 1ieu s THR 93 Ca 0.51 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.10 1ieu s THR 93 Cb -0.12 -1.01 0.10 0.00 1.34 0.00 0.00 72.50 72.81 1ieu s THR 93 CO 0.25 -0.03 0.91 0.18 -0.54 0.00 0.00 174.62 175.39