#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 0.81 0.33 -0.67 2.36 -1.26 -5.13 119.74 116.18 1ieu s LYS 2 Ca 0.00 -1.52 0.04 0.00 -2.55 0.00 0.00 55.97 51.94 1ieu s LYS 2 Cb 0.00 -1.01 -0.03 0.00 -1.05 0.00 0.00 37.83 35.74 1ieu s LYS 2 CO 0.00 -1.31 0.17 0.16 1.55 0.00 0.00 175.35 175.93 1ieu s ASP 3 N 0.68 1.79 0.19 1.43 1.47 -1.26 -5.11 116.67 115.85 1ieu s ASP 3 Ca 0.26 -1.61 -0.31 0.00 1.18 0.00 0.00 52.55 52.07 1ieu s ASP 3 Cb -0.06 0.43 -0.10 0.00 -0.34 0.00 0.00 42.92 42.85 1ieu s ASP 3 CO -0.10 -0.92 1.58 -0.69 0.68 0.00 0.00 175.17 175.71 1ieu s VAL 4 N -3.51 2.49 -0.26 2.11 1.01 -1.26 -4.96 120.40 116.02 1ieu s VAL 4 Ca 0.34 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1ieu s VAL 4 Cb 0.04 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1ieu s VAL 4 CO 0.19 0.03 -0.01 -0.54 0.00 0.00 0.00 175.10 174.77 1ieu s LYS 5 N 0.85 3.00 0.36 2.72 1.02 -1.26 -4.83 119.74 121.59 1ieu s LYS 5 Ca 0.69 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 1ieu s LYS 5 Cb -0.45 -3.12 -0.10 0.00 -0.52 0.00 0.00 37.83 33.64 1ieu s LYS 5 CO 0.34 -0.39 0.97 0.71 -0.92 0.00 0.00 175.35 176.06 1ieu s TYR 6 N 1.40 3.53 -0.04 3.18 2.02 -1.26 -2.50 117.35 123.69 1ieu s TYR 6 Ca 0.02 1.72 0.04 0.00 -0.37 0.00 0.00 57.07 58.48 1ieu s TYR 6 Cb -0.16 -2.95 -0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1ieu s TYR 6 CO -0.02 -0.02 -0.17 0.71 -1.57 0.00 0.00 175.55 174.48 1ieu s TYR 7 N -1.74 1.66 0.62 2.71 2.02 -1.12 -4.82 117.35 116.68 1ieu s TYR 7 Ca 0.54 -0.46 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 1ieu s TYR 7 Cb -0.17 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1ieu s TYR 7 CO 0.22 -0.15 1.28 0.95 -1.57 0.00 0.00 175.55 176.28 1ieu s THR 8 N 0.02 2.18 0.39 -0.71 -4.23 -1.26 -3.59 115.64 108.45 1ieu s THR 8 Ca -0.03 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1ieu s THR 8 Cb -0.11 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1ieu s THR 8 CO 0.02 -0.02 1.91 -0.07 -0.54 0.00 0.00 174.62 175.91 1ieu h LEU 9 N 0.75 0.15 -2.32 4.79 4.07 -2.00 -2.13 115.31 118.63 1ieu h LEU 9 Ca -0.51 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.42 1ieu h LEU 9 Cb 1.32 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1ieu h LEU 9 CO 0.54 0.36 -0.00 -0.33 -1.08 0.00 0.00 178.44 177.92 1ieu h GLU 10 N 0.15 0.00 0.00 1.13 5.08 -2.00 -1.68 114.58 117.26 1ieu h GLU 10 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1ieu h GLU 10 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ieu h GLU 10 CO 0.03 0.00 -1.44 -1.91 -1.00 0.00 0.00 179.01 174.69 1ieu n GLU 11 N -4.06 0.62 0.15 2.33 4.07 -0.82 -3.41 120.64 119.53 1ieu n GLU 11 Ca -0.03 0.22 -0.08 0.00 -0.06 0.00 0.00 57.16 57.21 1ieu n GLU 11 Cb 0.09 -1.80 -0.04 0.00 -0.06 0.00 0.00 31.44 29.62 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 0.00 0.07 0.00 6.31 2.04 -1.11 -3.25 117.51 121.56 1ieu h ILE 12 Ca -0.17 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1ieu h ILE 12 Cb 1.60 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1ieu h ILE 12 CO 0.05 0.02 -0.05 0.06 0.00 0.00 0.00 178.15 178.22 1ieu h GLN 13 N -1.11 0.00 -0.33 2.37 3.07 -1.63 -1.93 115.11 115.55 1ieu h GLN 13 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1ieu h GLN 13 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.93 1ieu h GLN 13 CO 0.08 0.05 0.19 -0.22 0.09 0.00 0.00 178.83 179.02 1ieu h LYS 14 N 0.00 0.44 -6.55 0.06 3.64 -1.59 -3.37 116.57 109.19 1ieu h LYS 14 Ca -0.00 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.80 1ieu h LYS 14 Cb 0.13 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1ieu h LYS 14 CO 0.01 0.31 0.99 -1.01 -2.27 0.00 0.00 179.45 177.48 1ieu s HIS 15 N -5.36 2.56 -0.32 1.91 3.76 -0.73 -4.85 115.29 112.27 1ieu s HIS 15 Ca -0.08 0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 55.11 1ieu s HIS 15 Cb 0.17 -4.52 0.19 0.00 1.11 0.00 0.00 32.58 29.53 1ieu s HIS 15 CO 0.72 -1.66 1.09 0.21 -0.85 0.00 0.00 174.74 174.25 1ieu s LYS 16 N 5.06 0.14 0.00 1.40 2.36 -1.26 -4.51 119.74 122.93 1ieu s LYS 16 Ca 0.43 -0.07 0.00 0.00 -2.55 0.00 0.00 55.97 53.78 1ieu s LYS 16 Cb -0.08 0.01 0.00 0.00 -1.05 0.00 0.00 37.83 36.71 1ieu s LYS 16 CO 0.24 -0.19 0.00 -0.25 1.55 0.00 0.00 175.35 176.70 1ieu n ASP 17 N 3.40 0.00 -1.53 1.43 8.00 -1.26 -5.06 116.55 121.52 1ieu n ASP 17 Ca 0.07 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ieu n ASP 17 Cb 0.64 0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 1ieu n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ieu n SER 18 N -1.45 -0.07 0.00 -2.24 3.41 -1.26 -5.03 113.62 106.98 1ieu n SER 18 Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1ieu n SER 18 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1ieu n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ieu n LYS 19 N -0.07 0.00 -3.64 4.33 4.81 -1.26 -5.13 118.16 117.20 1ieu n LYS 19 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.36 1ieu n LYS 19 Cb 0.51 -0.09 -0.07 0.00 0.02 0.00 0.00 35.03 35.40 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 -4.68 -0.45 0.23 3.14 0.15 -1.26 -4.97 113.70 105.85 1ieu s SER 20 Ca 0.00 0.82 -0.12 0.00 0.70 0.00 0.00 55.95 57.35 1ieu s SER 20 Cb 0.00 0.93 -0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1ieu s SER 20 CO 0.00 -0.14 0.44 0.28 1.20 0.00 0.00 173.24 175.02 1ieu s THR 21 N 0.53 0.01 0.30 6.45 -1.32 -1.26 -4.38 115.64 115.96 1ieu s THR 21 Ca 0.00 -1.39 0.07 0.00 -1.21 0.00 0.00 61.69 59.17 1ieu s THR 21 Cb -0.05 -2.13 -0.06 0.00 -1.51 0.00 0.00 72.50 68.76 1ieu s THR 21 CO -0.09 -0.04 -0.07 0.26 -2.21 0.00 0.00 174.62 172.46 1ieu s TRP 22 N -4.01 2.09 -0.06 9.09 0.51 -1.26 -3.13 118.94 122.17 1ieu s TRP 22 Ca 0.22 -0.64 0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1ieu s TRP 22 Cb 0.00 -1.19 0.02 0.00 -0.81 0.00 0.00 33.47 31.49 1ieu s TRP 22 CO 0.07 0.37 -0.07 0.08 -0.51 0.00 0.00 176.95 176.89 1ieu s VAL 23 N -2.89 0.80 0.01 4.03 1.01 -0.75 -4.88 120.40 117.73 1ieu s VAL 23 Ca 0.30 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1ieu s VAL 23 Cb 0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1ieu s VAL 23 CO 0.13 0.29 0.72 -0.63 0.00 0.00 0.00 175.10 175.62 1ieu s ILE 24 N 1.01 4.84 0.00 2.22 -1.09 -1.26 -1.74 121.20 125.18 1ieu s ILE 24 Ca -0.09 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1ieu s ILE 24 Cb -0.14 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1ieu s ILE 24 CO -0.00 0.35 0.00 0.18 -1.23 0.00 0.00 174.94 174.23 1ieu n LEU 25 N 3.03 0.00 -3.49 2.97 7.99 -1.17 -4.97 117.00 121.36 1ieu n LEU 25 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.69 1ieu n LEU 25 Cb 0.51 -0.03 -0.12 0.00 -0.11 0.00 0.00 43.42 43.67 1ieu n LEU 25 CO 0.47 -0.08 -0.30 -1.38 -1.51 0.00 0.00 177.39 174.58 1ieu s HIS 26 N -0.17 1.04 -1.61 -1.77 -3.43 -1.26 -4.82 115.29 103.28 1ieu s HIS 26 Ca 0.00 -1.94 -0.00 0.00 -0.80 0.00 0.00 55.06 52.31 1ieu s HIS 26 Cb 0.00 -1.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.07 1ieu s HIS 26 CO 0.00 -0.82 0.05 1.58 -2.00 0.00 0.00 174.74 173.56 1ieu n HIS 27 N 3.63 -0.99 -4.00 0.38 -0.00 -1.26 -4.98 115.22 108.01 1ieu n HIS 27 Ca 0.16 0.04 -0.09 0.00 -0.00 0.00 0.00 57.72 57.84 1ieu n HIS 27 Cb 0.39 -3.76 -0.11 0.00 -0.00 0.00 0.00 29.99 26.52 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 -5.01 0.38 -0.15 1.57 1.02 -1.26 -3.27 119.74 113.02 1ieu s LYS 28 Ca 0.03 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 1ieu s LYS 28 Cb -0.01 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1ieu s LYS 28 CO 0.03 -0.07 -0.13 0.08 -0.92 0.00 0.00 175.35 174.35 1ieu s VAL 29 N -1.97 2.95 -0.56 3.17 1.01 -0.98 -3.01 120.40 121.00 1ieu s VAL 29 Ca -0.11 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ieu s VAL 29 Cb -0.06 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.21 1ieu s VAL 29 CO -0.03 0.51 0.44 -0.31 0.00 0.00 0.00 175.10 175.71 1ieu s TYR 30 N 0.66 3.47 -0.90 5.22 1.51 -0.71 -2.19 117.35 124.41 1ieu s TYR 30 Ca -0.07 -2.02 -0.25 0.00 -1.01 0.00 0.00 57.07 53.73 1ieu s TYR 30 Cb -0.15 -3.52 0.04 0.00 -0.11 0.00 0.00 41.96 38.22 1ieu s TYR 30 CO 0.02 -0.97 1.41 0.34 -1.11 0.00 0.00 175.55 175.25 1ieu s ASP 31 N 2.28 6.29 -0.76 2.29 -1.08 -0.43 -1.81 116.67 123.44 1ieu s ASP 31 Ca 0.10 -0.99 0.03 0.00 -0.52 0.00 0.00 52.55 51.16 1ieu s ASP 31 Cb -0.23 -2.56 0.32 0.00 -1.46 0.00 0.00 42.92 38.99 1ieu s ASP 31 CO -0.02 -1.70 1.21 0.18 0.52 0.00 0.00 175.17 175.36 1ieu n LEU 32 N 9.36 5.37 -0.14 -1.34 4.32 -1.18 -4.57 117.00 128.82 1ieu n LEU 32 Ca 0.21 -5.53 -0.09 0.00 -0.02 0.00 0.00 56.01 50.58 1ieu n LEU 32 Cb 0.50 -0.81 -0.01 0.00 -1.62 0.00 0.00 43.42 41.48 1ieu n LEU 32 CO 0.68 2.17 0.87 0.74 -1.22 0.00 0.00 177.39 180.62 1ieu h THR 33 N 2.83 1.23 0.00 -5.08 2.02 -1.89 -2.34 112.91 109.69 1ieu h THR 33 Ca 0.26 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1ieu h THR 33 Cb 0.48 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1ieu h THR 33 CO 0.97 0.28 -0.30 0.11 0.37 0.00 0.00 175.52 176.95 1ieu h LYS 34 N 0.53 0.00 0.00 6.66 6.56 -1.95 -2.41 116.57 125.97 1ieu h LYS 34 Ca 0.13 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1ieu h LYS 34 Cb 0.32 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1ieu h LYS 34 CO 0.00 0.30 -0.01 0.35 -2.06 0.00 0.00 179.45 178.03 1ieu h PHE 35 N 0.00 0.00 -0.52 -1.35 3.04 -1.79 -1.34 116.94 114.97 1ieu h PHE 35 Ca -0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 1ieu h PHE 35 Cb 0.68 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1ieu h PHE 35 CO 0.00 0.01 0.50 -0.07 -2.02 0.00 0.00 178.31 176.74 1ieu h LEU 36 N 0.00 0.00 -1.75 0.59 3.38 -1.36 -2.33 115.31 113.84 1ieu h LEU 36 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ieu h LEU 36 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ieu h LEU 36 CO 0.00 0.00 -0.32 1.21 0.09 0.00 0.00 178.44 179.43 1ieu n GLU 37 N -3.84 0.11 -0.00 1.13 2.13 -0.93 -4.82 120.64 114.42 1ieu n GLU 37 Ca 0.10 -0.92 -0.08 0.00 0.66 0.00 0.00 57.16 56.92 1ieu n GLU 37 Cb 0.71 -0.55 -0.13 0.00 0.27 0.00 0.00 31.44 31.74 1ieu n GLU 37 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ieu h GLU 38 N 0.00 0.00 -1.87 5.31 4.57 -0.67 -3.43 114.58 118.49 1ieu h GLU 38 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1ieu h GLU 38 Cb 1.24 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.53 1ieu h GLU 38 CO 0.00 0.60 -0.67 -1.01 -1.18 0.00 0.00 179.01 176.76 1ieu s HIS 39 N -2.63 -0.42 -0.24 0.92 3.76 -1.24 -5.02 115.29 110.42 1ieu s HIS 39 Ca -0.03 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.11 1ieu s HIS 39 Cb 0.08 -0.35 -0.06 0.00 1.11 0.00 0.00 32.58 33.37 1ieu s HIS 39 CO 0.82 -0.99 3.00 -0.35 -0.85 0.00 0.00 174.74 176.38 1ieu n PRO 40 N 4.27 2.12 -0.97 8.40 -0.04 -1.26 -4.45 135.00 143.07 1ieu n PRO 40 Ca 0.11 -1.63 -0.11 0.00 -0.04 0.00 0.00 63.50 61.83 1ieu n PRO 40 Cb 0.46 -1.98 0.19 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.49 4.82 3.57 0.55 0.00 -1.26 -4.98 105.19 109.38 1ieu n GLY 41 Ca 0.42 -1.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1ieu n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieu s GLY 42 N -2.17 -0.37 -0.03 -0.02 0.00 -1.26 -4.51 107.32 98.95 1ieu s GLY 42 Ca 0.49 1.25 0.07 0.00 0.00 0.00 0.00 44.72 46.53 1ieu s GLY 42 CO 0.03 0.41 0.11 -1.84 0.00 0.00 0.00 173.10 171.81 1ieu n GLU 43 N -0.19 1.25 -1.24 2.90 0.00 -1.26 -4.64 120.64 117.46 1ieu n GLU 43 Ca -0.04 -0.04 -0.23 0.00 0.00 0.00 0.00 57.16 56.85 1ieu n GLU 43 Cb 0.60 -1.18 -0.02 0.00 0.00 0.00 0.00 31.44 30.84 1ieu n GLU 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ieu n GLU 44 N -1.95 2.16 -4.91 3.44 -0.58 -1.26 -4.62 120.64 112.92 1ieu n GLU 44 Ca -0.05 -2.01 -0.31 0.00 -0.42 0.00 0.00 57.16 54.37 1ieu n GLU 44 Cb 0.40 -1.94 -0.14 0.00 -0.57 0.00 0.00 31.44 29.19 1ieu n GLU 44 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1ieu s VAL 45 N -2.21 2.45 0.00 2.62 -7.23 -1.26 -4.63 120.40 110.14 1ieu s VAL 45 Ca 0.48 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1ieu s VAL 45 Cb 0.33 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1ieu s VAL 45 CO -0.13 0.43 0.00 0.18 -0.31 0.00 0.00 175.10 175.27 1ieu n LEU 46 N 1.91 0.00 -0.11 1.32 7.99 -1.26 -3.17 117.00 123.68 1ieu n LEU 46 Ca -0.16 0.00 0.27 0.00 -0.01 0.00 0.00 56.01 56.10 1ieu n LEU 46 Cb 0.52 0.00 0.67 0.00 -0.11 0.00 0.00 43.42 44.50 1ieu n LEU 46 CO 0.24 0.00 1.24 0.03 -1.51 0.00 0.00 177.39 177.40 1ieu h ARG 47 N 0.00 0.00 -4.92 3.23 -0.00 -1.92 -3.32 114.38 107.45 1ieu h ARG 47 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.98 58.80 1ieu h ARG 47 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 29.97 29.79 1ieu h ARG 47 CO 0.00 0.00 0.21 -1.21 0.00 0.00 0.00 179.97 178.97 1ieu s GLU 48 N -4.65 3.08 -0.23 0.04 8.01 -1.19 -5.02 118.70 118.74 1ieu s GLU 48 Ca -0.04 -1.13 -0.05 0.00 0.01 0.00 0.00 54.97 53.77 1ieu s GLU 48 Cb 0.17 -4.23 -0.01 0.00 -4.31 0.00 0.00 34.13 25.75 1ieu s GLU 48 CO 0.60 -1.55 -0.02 -1.14 0.01 0.00 0.00 175.26 173.16 1ieu s GLN 49 N 3.00 3.44 -0.09 1.61 2.00 -1.25 -4.62 119.66 123.75 1ieu s GLN 49 Ca 0.15 -0.59 -0.07 0.00 -2.00 0.00 0.00 55.36 52.85 1ieu s GLN 49 Cb -0.22 -3.08 0.03 0.00 0.80 0.00 0.00 33.01 30.54 1ieu s GLN 49 CO 0.08 -0.19 0.13 0.00 -0.50 0.00 0.00 175.29 174.82 1ieu n ALA 50 N 4.80 -2.91 0.01 1.58 0.00 -1.26 -5.03 120.51 117.71 1ieu n ALA 50 Ca -0.18 1.51 -0.02 0.00 0.00 0.00 0.00 53.44 54.75 1ieu n ALA 50 Cb 0.51 -3.20 -0.01 0.00 0.00 0.00 0.00 19.45 16.75 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 1.76 -0.08 0.00 0.00 0.00 -1.26 -5.04 105.19 100.57 1ieu n GLY 51 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 3.02 0.13 3.64 -0.02 0.00 -1.26 -5.14 105.19 105.56 1ieu n GLY 52 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1ieu n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ieu s ASP 53 N 0.00 -0.24 -0.28 1.61 2.15 -1.26 -5.08 116.67 113.57 1ieu s ASP 53 Ca 0.00 0.45 -0.03 0.00 0.43 0.00 0.00 52.55 53.40 1ieu s ASP 53 Cb 0.00 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1ieu s ASP 53 CO 0.00 -0.09 0.06 0.00 -0.17 0.00 0.00 175.17 174.97 1ieu n ALA 54 N 1.81 -3.55 -1.33 3.66 0.00 -1.26 -4.93 120.51 114.92 1ieu n ALA 54 Ca -0.11 0.95 -0.33 0.00 0.00 0.00 0.00 53.44 53.95 1ieu n ALA 54 Cb 0.56 -1.88 0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.42 2.60 0.00 0.00 -4.23 -1.26 -4.83 115.64 106.51 1ieu s THR 55 Ca -0.07 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1ieu s THR 55 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1ieu s THR 55 CO 0.79 -0.18 0.00 1.21 -0.54 0.00 0.00 174.62 175.90 1ieu n GLU 56 N -2.82 0.00 -3.07 3.99 2.13 -1.26 -5.05 120.64 114.56 1ieu n GLU 56 Ca 0.12 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.49 1ieu n GLU 56 Cb 0.51 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.19 1ieu n GLU 56 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1ieu s ASN 57 N -0.99 6.58 -0.11 4.31 -0.87 -1.26 -5.01 114.94 117.59 1ieu s ASN 57 Ca 0.00 -2.09 0.01 0.00 -1.57 0.00 0.00 52.86 49.21 1ieu s ASN 57 Cb 0.00 -2.33 -0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1ieu s ASN 57 CO 0.00 -0.95 -0.13 0.12 -2.57 0.00 0.00 177.10 173.57 1ieu s PHE 58 N 2.02 2.80 0.57 2.20 5.36 -1.26 -5.02 117.98 124.65 1ieu s PHE 58 Ca 0.25 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 1ieu s PHE 58 Cb -0.10 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1ieu s PHE 58 CO -0.06 -0.13 0.00 -1.91 -1.46 0.00 0.00 175.22 171.66 1ieu n GLU 59 N 3.28 -3.27 0.02 10.12 2.13 -1.26 -4.83 120.64 126.83 1ieu n GLU 59 Ca -0.18 2.59 0.00 0.00 0.66 0.00 0.00 57.16 60.23 1ieu n GLU 59 Cb 0.53 -3.85 0.00 0.00 0.27 0.00 0.00 31.44 28.38 1ieu n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ieu n ASP 60 N -4.34 0.42 -4.84 4.31 2.03 -1.26 -5.07 116.55 107.79 1ieu n ASP 60 Ca -0.07 0.06 -0.22 0.00 0.52 0.00 0.00 54.79 55.08 1ieu n ASP 60 Cb 0.68 -0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 1ieu n ASP 60 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ieu s VAL 61 N -2.00 2.53 0.00 5.18 0.11 -1.26 -5.00 120.40 119.95 1ieu s VAL 61 Ca 0.00 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.62 1ieu s VAL 61 Cb 0.00 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 1ieu s VAL 61 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1ieu n GLY 62 N -1.48 1.01 0.00 6.54 0.00 -1.26 -4.90 105.19 105.10 1ieu n GLY 62 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 1.61 8.25 -1.26 -4.95 115.22 118.87 1ieu n HIS 63 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ieu n HIS 63 Cb 0.00 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1ieu n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ieu n SER 64 N -2.05 2.65 -4.98 0.41 2.88 -1.26 -5.06 113.62 106.20 1ieu n SER 64 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1ieu n SER 64 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ieu n SER 64 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ieu s THR 65 N -1.97 4.17 -0.89 2.46 -1.32 -1.26 -5.00 115.64 111.82 1ieu s THR 65 Ca 0.00 -0.86 -0.25 0.00 -1.21 0.00 0.00 61.69 59.38 1ieu s THR 65 Cb 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1ieu s THR 65 CO 0.00 -0.22 1.65 -0.62 -2.21 0.00 0.00 174.62 173.22 1ieu s ASP 66 N -4.17 5.83 0.71 8.08 2.15 -1.26 -4.32 116.67 123.69 1ieu s ASP 66 Ca 0.45 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1ieu s ASP 66 Cb -0.10 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1ieu s ASP 66 CO 0.33 -2.09 0.00 0.00 -0.17 0.00 0.00 175.17 173.24 1ieu n ALA 67 N 11.20 0.00 -0.04 3.66 0.00 -1.26 -5.02 120.51 129.05 1ieu n ALA 67 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 1ieu n ALA 67 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1ieu n ALA 67 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ieu n ARG 68 N -0.86 2.50 -3.19 0.00 1.85 -1.26 -4.93 116.66 110.76 1ieu n ARG 68 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 1ieu n ARG 68 Cb 0.00 -1.21 -0.03 0.00 -1.05 0.00 0.00 32.46 30.17 1ieu n ARG 68 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ieu s GLU 69 N -2.20 0.10 0.59 2.89 2.12 -1.26 -5.01 118.70 115.94 1ieu s GLU 69 Ca -0.05 0.22 0.34 0.00 0.36 0.00 0.00 54.97 55.84 1ieu s GLU 69 Cb 0.02 0.13 1.88 0.00 0.26 0.00 0.00 34.13 36.42 1ieu s GLU 69 CO 0.32 -0.07 2.23 1.25 -0.54 0.00 0.00 175.26 178.45 1ieu h LEU 70 N 7.58 0.00 -8.29 2.70 6.46 -1.90 -3.41 115.31 118.46 1ieu h LEU 70 Ca -0.13 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.39 1ieu h LEU 70 Cb 1.15 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.04 1ieu h LEU 70 CO -0.05 0.03 1.05 -1.54 -0.62 0.00 0.00 178.44 177.31 1ieu n SER 71 N -3.52 1.01 0.00 1.25 3.41 -1.26 -3.16 113.62 111.35 1ieu n SER 71 Ca -0.02 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1ieu n SER 71 Cb 0.13 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 8.08 0.00 -1.07 4.33 4.81 -1.26 -4.95 118.16 128.10 1ieu n LYS 72 Ca 0.52 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.87 1ieu n LYS 72 Cb 0.34 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.69 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 0.00 3.00 -2.22 3.15 5.66 -1.19 -4.24 114.28 118.44 1ieu n THR 73 Ca 0.00 -1.66 0.00 0.00 -3.05 0.00 0.00 64.05 59.34 1ieu n THR 73 Cb 0.00 -0.37 -0.00 0.00 -1.55 0.00 0.00 70.33 68.40 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 -0.25 0.00 -3.58 1.09 4.01 -1.26 -5.09 117.16 112.08 1ieu n TYR 74 Ca 0.44 -0.31 -0.26 0.00 -0.16 0.00 0.00 57.90 57.61 1ieu n TYR 74 Cb 1.44 0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 40.49 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 0.00 5.16 0.00 -0.72 1.01 -1.26 -1.32 121.20 124.07 1ieu s ILE 75 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1ieu s ILE 75 Cb 0.17 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ieu s ILE 75 CO -0.07 -0.32 0.00 2.30 0.00 0.00 0.00 174.94 176.85 1ieu n ILE 76 N -1.10 0.00 -1.15 2.92 -5.35 -0.93 -4.71 119.36 109.05 1ieu n ILE 76 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1ieu n ILE 76 Cb 0.55 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 3.25 2.63 1.79 3.28 0.00 -1.25 -4.23 105.19 110.66 1ieu n GLY 77 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 1.13 -3.47 1.61 1.02 -1.04 -2.33 120.64 117.56 1ieu n GLU 78 Ca 0.00 -1.83 -0.38 0.00 -0.02 0.00 0.00 57.16 54.93 1ieu n GLU 78 Cb 0.00 0.69 -0.06 0.00 -0.02 0.00 0.00 31.44 32.04 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 4.40 0.34 -4.62 1.98 -1.20 -2.79 118.68 116.80 1ieu s LEU 79 Ca 0.04 0.87 -0.27 0.00 -2.89 0.00 0.00 54.13 51.88 1ieu s LEU 79 Cb 0.00 -2.58 -0.12 0.00 0.66 0.00 0.00 46.19 44.15 1ieu s LEU 79 CO 0.03 0.23 1.14 1.57 -1.89 0.00 0.00 176.35 177.43 1ieu n HIS 80 N 2.44 1.72 0.60 5.38 -0.00 -1.24 -4.83 115.22 119.29 1ieu n HIS 80 Ca -0.12 0.60 0.11 0.00 -0.00 0.00 0.00 57.72 58.31 1ieu n HIS 80 Cb 0.52 -2.32 0.45 0.00 -0.00 0.00 0.00 29.99 28.64 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 0.50 0.11 0.23 1.57 -0.04 -1.26 -3.00 135.00 133.10 1ieu n PRO 81 Ca 0.07 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1ieu n PRO 81 Cb 0.35 -1.66 0.69 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.00 0.00 3.54 3.58 -1.89 -2.17 116.42 119.48 1ieu h ASP 82 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1ieu h ASP 82 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1ieu h ASP 82 CO 0.00 0.00 -1.50 0.47 -2.88 0.00 0.00 179.24 175.33 1ieu n ASP 83 N -4.39 3.16 0.00 2.28 9.92 -1.21 -4.69 116.55 121.62 1ieu n ASP 83 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1ieu n ASP 83 Cb 0.17 0.74 0.00 0.00 -0.64 0.00 0.00 41.12 41.40 1ieu n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ieu n ARG 84 N -2.23 0.00 -2.93 -1.24 5.12 -1.16 -4.51 116.66 109.70 1ieu n ARG 84 Ca -0.11 0.25 -0.44 0.00 -1.93 0.00 0.00 57.85 55.62 1ieu n ARG 84 Cb 0.70 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 31.25 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ieu s SER 85 N -2.22 6.67 0.01 0.55 0.01 -0.83 -4.23 113.70 113.66 1ieu s SER 85 Ca 0.00 -2.13 0.00 0.00 1.31 0.00 0.00 55.95 55.13 1ieu s SER 85 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ieu s SER 85 CO 0.00 -1.03 0.00 1.17 0.41 0.00 0.00 173.24 173.79 1ieu n LYS 86 N 6.44 0.00 0.07 12.44 4.81 -1.24 -4.49 118.16 136.20 1ieu n LYS 86 Ca 0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1ieu n LYS 86 Cb 0.49 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.41 1ieu n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1ieu h ILE 87 N 0.00 1.67 -1.67 3.15 5.03 -1.79 -3.39 117.51 120.50 1ieu h ILE 87 Ca 0.00 -3.35 -0.69 0.00 -0.12 0.00 0.00 64.86 60.70 1ieu h ILE 87 Cb 0.00 2.86 -0.14 0.00 -3.03 0.00 0.00 36.82 36.52 1ieu h ILE 87 CO 0.00 0.96 1.51 0.00 -0.68 0.00 0.00 178.15 179.94 1ieu s ALA 88 N -2.70 3.46 -0.12 1.87 0.00 -1.26 -4.79 121.76 118.23 1ieu s ALA 88 Ca -0.00 -2.93 -0.20 0.00 0.00 0.00 0.00 51.96 48.83 1ieu s ALA 88 Cb 0.09 -4.33 -0.18 0.00 0.00 0.00 0.00 23.12 18.71 1ieu s ALA 88 CO 0.83 -3.11 0.58 0.87 0.00 0.00 0.00 175.76 174.94 1ieu h LYS 89 N 8.07 -0.02 0.00 0.00 1.57 -1.97 -3.41 116.57 120.81 1ieu h LYS 89 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ieu h LYS 89 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ieu h LYS 89 CO 1.31 0.65 -0.00 -1.00 -0.57 0.00 0.00 179.45 179.84 1ieu h PRO 90 N -0.97 -0.00 -1.29 3.15 0.13 -1.98 -3.50 132.00 127.54 1ieu h PRO 90 Ca -0.00 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.38 1ieu h PRO 90 Cb 0.68 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.59 1ieu h PRO 90 CO 0.00 -0.00 0.86 -1.54 -0.23 0.00 0.00 178.00 177.09 1ieu s SER 91 N -5.53 -0.11 0.03 1.44 1.04 -1.26 -5.11 113.70 104.21 1ieu s SER 91 Ca -0.00 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1ieu s SER 91 Cb 0.00 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1ieu s SER 91 CO 0.00 -0.15 -0.01 1.21 0.98 0.00 0.00 173.24 175.28 1ieu n GLU 92 N 0.16 0.01 -1.36 4.02 2.13 -1.26 -4.94 120.64 119.40 1ieu n GLU 92 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 1ieu n GLU 92 Cb 0.58 -0.23 0.01 0.00 0.27 0.00 0.00 31.44 32.07 1ieu n GLU 92 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1ieu n THR 93 N -2.91 0.00 -0.00 6.31 5.66 -1.26 -5.21 114.28 116.87 1ieu n THR 93 Ca -0.00 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1ieu n THR 93 Cb 0.01 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1ieu n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91