#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iur n HIS 2 N 0.00 0.00 -2.78 1.12 -0.00 -1.26 -5.10 115.22 107.20 1iur n HIS 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1iur n HIS 2 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 1iur n HIS 2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1iur n HIS 3 N -3.72 -3.81 -2.03 1.57 -0.00 -1.26 -4.98 115.22 100.99 1iur n HIS 3 Ca -0.05 1.63 0.02 0.00 -0.00 0.00 0.00 57.72 59.32 1iur n HIS 3 Cb 0.18 -4.06 0.12 0.00 -0.00 0.00 0.00 29.99 26.23 1iur n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1iur n HIS 4 N 0.29 0.31 -0.04 4.41 -0.00 -1.26 -4.80 115.22 114.12 1iur n HIS 4 Ca 0.05 -1.24 -0.20 0.00 -0.00 0.00 0.00 57.72 56.33 1iur n HIS 4 Cb 0.19 -0.22 -0.13 0.00 -0.00 0.00 0.00 29.99 29.83 1iur n HIS 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1iur h HIS 5 N 1.20 0.20 -3.34 1.57 -0.00 -2.08 -3.46 115.15 109.24 1iur h HIS 5 Ca -0.06 -0.15 -0.30 0.00 -0.00 0.00 0.00 60.37 59.86 1iur h HIS 5 Cb 1.38 -0.01 -0.35 0.00 -0.00 0.00 0.00 27.41 28.43 1iur h HIS 5 CO 0.55 1.39 -0.69 -1.01 -0.00 0.00 0.00 177.93 178.17 1iur s HIS 6 N -2.38 -0.04 0.20 2.45 0.09 -1.26 -5.16 115.29 109.19 1iur s HIS 6 Ca -0.22 0.32 0.08 0.00 -0.00 0.00 0.00 55.06 55.24 1iur s HIS 6 Cb 0.03 -0.27 -0.04 0.00 -0.00 0.00 0.00 32.58 32.30 1iur s HIS 6 CO 0.70 -0.16 0.01 -1.58 -0.00 0.00 0.00 174.74 173.71 1iur s HIS 7 N 1.58 2.83 0.00 1.40 5.65 -1.26 -5.00 115.29 120.50 1iur s HIS 7 Ca -0.03 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.12 1iur s HIS 7 Cb -0.12 -1.34 0.00 0.00 -1.18 0.00 0.00 32.58 29.94 1iur s HIS 7 CO -0.04 0.54 0.00 -0.11 -0.65 0.00 0.00 174.74 174.48 1iur n LEU 8 N -0.35 0.00 -3.90 8.88 0.00 -1.26 -5.09 117.00 115.28 1iur n LEU 8 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.62 1iur n LEU 8 Cb 0.56 0.27 -0.16 0.00 0.00 0.00 0.00 43.42 44.09 1iur n LEU 8 CO 0.39 -0.35 -0.41 0.54 0.00 0.00 0.00 177.39 177.56 1iur s VAL 9 N -1.69 1.30 -0.82 1.96 0.11 -1.26 -5.06 120.40 114.94 1iur s VAL 9 Ca 0.00 -1.05 -0.22 0.00 -2.93 0.00 0.00 61.98 57.78 1iur s VAL 9 Cb 0.00 -1.61 -0.19 0.00 -1.53 0.00 0.00 36.38 33.05 1iur s VAL 9 CO 0.00 -0.11 2.39 -2.65 -3.33 0.00 0.00 175.10 171.40 1iur n PRO 10 N 4.76 0.42 0.06 1.54 -0.02 -1.26 -4.73 135.00 135.77 1iur n PRO 10 Ca -0.11 -0.33 -0.19 0.00 -2.02 0.00 0.00 63.50 60.85 1iur n PRO 10 Cb 0.45 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.19 1iur n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iur h ARG 11 N 13.55 0.29 0.00 -0.52 3.08 -2.04 -3.41 114.38 125.34 1iur h ARG 11 Ca -0.04 -0.50 -0.14 0.00 0.07 0.00 0.00 59.98 59.36 1iur h ARG 11 Cb 1.14 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1iur h ARG 11 CO 1.26 1.17 -1.09 0.41 -1.07 0.00 0.00 179.97 180.65 1iur n GLY 12 N 1.75 -0.80 7.00 0.04 0.00 -1.26 -5.08 105.19 106.84 1iur n GLY 12 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1iur n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iur n SER 13 N -4.49 -5.48 0.00 1.61 7.64 -1.26 -4.77 113.62 106.87 1iur n SER 13 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1iur n SER 13 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1iur n SER 13 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iur n ILE 14 N -1.67 0.00 -0.16 0.44 2.08 -1.26 -4.17 119.36 114.61 1iur n ILE 14 Ca 0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.38 1iur n ILE 14 Cb 0.00 0.00 0.38 0.00 -0.75 0.00 0.00 39.64 39.27 1iur n ILE 14 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1iur h LEU 15 N 0.00 0.61 -1.00 1.39 -0.00 -1.99 -0.46 115.31 113.86 1iur h LEU 15 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1iur h LEU 15 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1iur h LEU 15 CO 0.00 0.39 -0.45 0.07 -0.00 0.00 0.00 178.44 178.45 1iur h LYS 16 N 0.69 0.10 -0.03 1.13 2.10 -1.96 -2.72 116.57 115.89 1iur h LYS 16 Ca 0.31 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.77 1iur h LYS 16 Cb 0.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1iur h LYS 16 CO -0.10 0.54 -0.61 1.49 -2.00 0.00 0.00 179.45 178.77 1iur h GLU 17 N 0.09 0.11 -0.10 0.07 4.57 -1.43 -2.77 114.58 115.11 1iur h GLU 17 Ca 0.00 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 57.93 1iur h GLU 17 Cb 0.83 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1iur h GLU 17 CO 0.06 0.68 -0.71 0.28 -1.18 0.00 0.00 179.01 178.15 1iur h VAL 18 N 0.08 1.36 -0.05 0.32 2.07 -1.18 -1.96 116.25 116.90 1iur h VAL 18 Ca -0.01 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.32 1iur h VAL 18 Cb 1.09 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1iur h VAL 18 CO 0.09 0.63 -0.50 0.74 0.02 0.00 0.00 177.57 178.54 1iur h THR 19 N 0.31 1.36 0.00 2.57 2.02 -1.42 -1.88 112.91 115.87 1iur h THR 19 Ca -0.03 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.41 1iur h THR 19 Cb 1.28 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1iur h THR 19 CO 0.12 0.51 -0.00 0.28 0.37 0.00 0.00 175.52 176.80 1iur h SER 20 N 0.10 -0.00 -0.55 4.18 0.02 -1.43 -2.02 113.55 113.84 1iur h SER 20 Ca 0.00 -0.81 0.02 0.00 -0.84 0.00 0.00 61.79 60.17 1iur h SER 20 Cb 0.93 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1iur h SER 20 CO 0.07 0.81 0.33 1.62 -1.14 0.00 0.00 176.83 178.52 1iur h VAL 21 N -0.83 1.06 -0.20 2.27 3.04 -1.38 -0.80 116.25 119.41 1iur h VAL 21 Ca -0.00 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 1iur h VAL 21 Cb 0.81 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1iur h VAL 21 CO 0.00 0.12 -0.34 1.62 -1.01 0.00 0.00 177.57 177.96 1iur h VAL 22 N 0.66 1.29 -0.36 1.51 3.04 -1.45 -0.99 116.25 119.94 1iur h VAL 22 Ca 0.22 -1.42 -0.10 0.00 -1.01 0.00 0.00 66.70 64.39 1iur h VAL 22 Cb 0.01 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1iur h VAL 22 CO -0.09 0.44 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.65 1iur h GLU 23 N 0.36 0.66 0.00 4.17 4.57 -0.73 -2.90 114.58 120.71 1iur h GLU 23 Ca 0.04 -0.24 -0.19 0.00 -1.18 0.00 0.00 59.36 57.79 1iur h GLU 23 Cb 0.77 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1iur h GLU 23 CO 0.06 0.80 -0.92 1.96 -1.18 0.00 0.00 179.01 179.73 1iur h GLN 24 N 0.59 0.00 0.00 1.92 1.08 -0.96 -3.20 115.11 114.55 1iur h GLN 24 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1iur h GLN 24 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1iur h GLN 24 CO 0.05 0.92 0.00 0.00 -0.95 0.00 0.00 178.83 178.85 1iur n ALA 25 N -2.33 1.47 -0.56 3.87 0.00 -0.40 -2.03 120.51 120.54 1iur n ALA 25 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1iur n ALA 25 Cb 0.91 -1.31 0.26 0.00 0.00 0.00 0.00 19.45 19.31 1iur n ALA 25 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1iur n TRP 26 N -2.05 1.87 -0.21 0.00 -0.00 -1.18 -3.88 117.44 111.99 1iur n TRP 26 Ca 0.01 -0.88 0.00 0.00 -0.00 0.00 0.00 57.50 56.64 1iur n TRP 26 Cb 0.16 -0.54 0.00 0.00 -0.00 0.00 0.00 31.31 30.93 1iur n TRP 26 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1iur n LYS 27 N 0.09 -0.60 -4.33 5.87 5.02 -0.86 -5.06 118.16 118.29 1iur n LYS 27 Ca 0.30 -0.45 -0.18 0.00 -2.02 0.00 0.00 58.31 55.95 1iur n LYS 27 Cb 1.13 -0.89 -0.10 0.00 -0.02 0.00 0.00 35.03 35.14 1iur n LYS 27 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1iur s LEU 28 N -0.05 2.53 1.08 -0.35 -0.00 -1.25 -5.14 118.68 115.49 1iur s LEU 28 Ca 0.00 -0.98 -0.14 0.00 -0.00 0.00 0.00 54.13 53.01 1iur s LEU 28 Cb 0.00 -0.65 0.16 0.00 -0.00 0.00 0.00 46.19 45.69 1iur s LEU 28 CO 0.00 -0.17 0.57 -0.81 -0.00 0.00 0.00 176.35 175.94 1iur n PRO 29 N -0.20 -1.46 0.24 1.48 -0.04 -1.26 -4.46 135.00 129.29 1iur n PRO 29 Ca -0.09 -0.39 0.17 0.00 -0.04 0.00 0.00 63.50 63.14 1iur n PRO 29 Cb 0.60 -1.98 0.87 0.00 -0.04 0.00 0.00 33.50 32.95 1iur n PRO 29 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1iur h GLU 30 N -2.14 0.00 -0.38 0.54 9.09 -1.97 -0.10 114.58 119.62 1iur h GLU 30 Ca -0.53 0.00 0.06 0.00 0.05 0.00 0.00 59.36 58.94 1iur h GLU 30 Cb 1.32 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.37 1iur h GLU 30 CO 0.41 0.00 0.06 0.66 0.05 0.00 0.00 179.01 180.19 1iur h SER 31 N 0.00 -0.03 0.39 3.06 4.64 -2.01 -1.65 113.55 117.95 1iur h SER 31 Ca 0.06 0.07 -0.31 0.00 -0.47 0.00 0.00 61.79 61.14 1iur h SER 31 Cb 0.36 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1iur h SER 31 CO -0.00 0.02 -1.82 -0.62 -0.87 0.00 0.00 176.83 173.54 1iur n GLU 32 N -5.12 0.65 0.01 4.77 1.02 -0.85 -4.11 120.64 117.01 1iur n GLU 32 Ca 0.02 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 1iur n GLU 32 Cb 0.18 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 1iur n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1iur h ARG 33 N 0.01 -0.27 -0.28 3.49 2.43 -0.88 -0.70 114.38 118.18 1iur h ARG 33 Ca -0.33 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1iur h ARG 33 Cb 2.04 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 1iur h ARG 33 CO 0.07 -0.18 0.19 0.87 -1.51 0.00 0.00 179.97 179.41 1iur h LYS 34 N -0.28 0.18 -0.04 0.20 1.57 -1.49 -2.43 116.57 114.28 1iur h LYS 34 Ca 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1iur h LYS 34 Cb 0.42 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1iur h LYS 34 CO -0.28 0.12 -0.01 0.87 -0.57 0.00 0.00 179.45 179.58 1iur h LYS 35 N 0.19 0.07 -0.14 3.15 1.57 -1.32 0.15 116.57 120.24 1iur h LYS 35 Ca 0.12 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1iur h LYS 35 Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1iur h LYS 35 CO -0.02 0.43 0.13 0.82 -0.57 0.00 0.00 179.45 180.24 1iur h ILE 36 N -0.29 0.65 0.11 1.86 1.08 -0.80 -1.37 117.51 118.74 1iur h ILE 36 Ca 0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.17 1iur h ILE 36 Cb 0.40 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1iur h ILE 36 CO 0.00 0.00 -1.65 0.40 -0.69 0.00 0.00 178.15 176.22 1iur h ILE 37 N 0.00 0.84 -0.89 -0.67 1.08 -1.33 -3.28 117.51 113.26 1iur h ILE 37 Ca 0.07 -2.35 0.05 0.00 -0.39 0.00 0.00 64.86 62.24 1iur h ILE 37 Cb 0.32 2.55 -0.06 0.00 -3.07 0.00 0.00 36.82 36.57 1iur h ILE 37 CO -0.00 0.73 0.56 -0.09 -0.69 0.00 0.00 178.15 178.66 1iur h ARG 38 N -0.24 1.01 0.24 2.37 2.43 -0.24 0.84 114.38 120.79 1iur h ARG 38 Ca -0.36 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1iur h ARG 38 Cb 1.82 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1iur h ARG 38 CO 0.04 0.67 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.96 1iur h ARG 39 N 1.04 -0.31 -0.23 0.20 9.65 -1.43 0.42 114.38 123.73 1iur h ARG 39 Ca 0.37 0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 59.15 1iur h ARG 39 Cb 0.12 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1iur h ARG 39 CO -0.15 -0.11 -0.37 -0.07 2.80 0.00 0.00 179.97 182.06 1iur h LEU 40 N -0.45 0.55 -0.37 3.80 -0.00 -1.55 -2.61 115.31 114.68 1iur h LEU 40 Ca -0.03 -0.23 -0.17 0.00 -0.00 0.00 0.00 57.88 57.44 1iur h LEU 40 Cb 0.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1iur h LEU 40 CO 0.05 0.87 -0.51 0.22 -0.00 0.00 0.00 178.44 179.08 1iur h TYR 41 N 0.44 1.04 -0.88 1.13 5.03 0.80 -2.34 116.97 122.19 1iur h TYR 41 Ca 0.04 -0.35 -0.52 0.00 2.58 0.00 0.00 58.73 60.48 1iur h TYR 41 Cb 0.85 -0.20 -0.26 0.00 1.55 0.00 0.00 36.73 38.67 1iur h TYR 41 CO 0.03 1.17 0.66 1.28 -1.32 0.00 0.00 178.16 179.98 1iur n LEU 42 N -4.01 6.78 0.00 2.82 4.77 0.15 -4.21 117.00 123.29 1iur n LEU 42 Ca -0.04 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 1iur n LEU 42 Cb 0.60 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1iur n LEU 42 CO 0.49 1.17 -0.02 1.17 -1.33 0.00 0.00 177.39 178.87 1iur n LYS 43 N -0.81 0.00 -0.98 3.23 4.81 -0.99 -4.85 118.16 118.56 1iur n LYS 43 Ca 0.54 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.77 1iur n LYS 43 Cb 1.15 -0.51 0.09 0.00 0.02 0.00 0.00 35.03 35.78 1iur n LYS 43 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1iur n TRP 44 N -1.55 2.25 -3.07 5.64 7.02 -0.89 -4.79 117.44 122.05 1iur n TRP 44 Ca 0.00 -1.96 -0.43 0.00 -1.02 0.00 0.00 57.50 54.09 1iur n TRP 44 Cb 0.02 -0.97 -0.06 0.00 -2.42 0.00 0.00 31.31 27.88 1iur n TRP 44 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1iur s HIS 45 N -2.54 3.08 0.38 -5.99 2.46 -1.26 -4.67 115.29 106.74 1iur s HIS 45 Ca 0.43 0.14 0.16 0.00 0.47 0.00 0.00 55.06 56.26 1iur s HIS 45 Cb 0.35 -3.36 1.04 0.00 -0.13 0.00 0.00 32.58 30.48 1iur s HIS 45 CO 0.03 -0.82 1.76 -1.35 -2.47 0.00 0.00 174.74 171.90 1iur h PRO 46 N 8.76 0.44 0.59 2.88 0.11 -1.89 0.55 132.00 143.44 1iur h PRO 46 Ca -0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1iur h PRO 46 Cb 1.10 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.12 1iur h PRO 46 CO 0.89 0.29 -0.28 -0.44 -0.21 0.00 0.00 178.00 178.25 1iur h ASP 47 N 0.45 -0.67 -0.34 -2.05 3.32 -1.92 -3.21 116.42 112.00 1iur h ASP 47 Ca 0.61 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.67 1iur h ASP 47 Cb 1.43 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 1iur h ASP 47 CO -0.34 -0.36 0.19 0.11 -1.72 0.00 0.00 179.24 177.12 1iur h LYS 48 N -1.03 0.51 -7.05 3.56 1.79 -1.84 -3.43 116.57 109.08 1iur h LYS 48 Ca -0.08 -0.05 -0.55 0.00 -2.18 0.00 0.00 60.65 57.79 1iur h LYS 48 Cb 0.61 -0.11 0.14 0.00 -1.58 0.00 0.00 32.23 31.30 1iur h LYS 48 CO 0.13 0.38 0.59 0.09 -1.08 0.00 0.00 179.45 179.56 1iur n ASN 49 N -4.43 2.59 0.18 0.86 3.02 0.19 -4.95 115.26 112.73 1iur n ASN 49 Ca 0.02 0.96 -0.13 0.00 -0.03 0.00 0.00 54.58 55.40 1iur n ASN 49 Cb 0.10 -1.57 -0.07 0.00 -0.61 0.00 0.00 39.78 37.63 1iur n ASN 49 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1iur h PRO 50 N 1.30 -0.68 -1.05 3.52 0.11 -1.84 -3.43 132.00 129.92 1iur h PRO 50 Ca -0.51 0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1iur h PRO 50 Cb 1.31 0.16 -0.20 0.00 0.11 0.00 0.00 31.00 32.37 1iur h PRO 50 CO 0.56 -0.46 -0.44 -1.21 -0.21 0.00 0.00 178.00 176.24 1iur s GLU 51 N -5.12 0.74 -0.40 1.05 2.02 -1.26 -5.07 118.70 110.65 1iur s GLU 51 Ca -0.13 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 1iur s GLU 51 Cb 0.04 0.10 0.22 0.00 0.10 0.00 0.00 34.13 34.59 1iur s GLU 51 CO 0.45 -1.15 1.00 0.27 0.02 0.00 0.00 175.26 175.86 1iur n ASN 52 N 4.69 -2.13 -0.10 -0.19 0.23 -1.26 -5.00 115.26 111.50 1iur n ASN 52 Ca 0.09 -1.90 0.13 0.00 -0.53 0.00 0.00 54.58 52.37 1iur n ASN 52 Cb 0.56 1.13 0.48 0.00 -2.08 0.00 0.00 39.78 39.87 1iur n ASN 52 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iur n HIS 53 N 2.37 0.00 -0.06 -2.53 1.44 -1.26 -2.75 115.22 112.44 1iur n HIS 53 Ca 0.11 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.76 1iur n HIS 53 Cb 0.63 -0.23 -0.09 0.00 0.12 0.00 0.00 29.99 30.43 1iur n HIS 53 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1iur n ASP 54 N -1.11 2.33 0.10 4.39 -0.08 -1.26 -4.00 116.55 116.92 1iur n ASP 54 Ca 0.11 -0.01 -0.17 0.00 -1.51 0.00 0.00 54.79 53.21 1iur n ASP 54 Cb 0.31 0.68 -0.14 0.00 2.34 0.00 0.00 41.12 44.32 1iur n ASP 54 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1iur h ILE 55 N 0.00 1.38 0.08 5.18 2.04 -1.96 -3.20 117.51 121.02 1iur h ILE 55 Ca -0.30 -2.95 -0.24 0.00 1.00 0.00 0.00 64.86 62.37 1iur h ILE 55 Cb 1.66 2.91 0.02 0.00 -0.74 0.00 0.00 36.82 40.68 1iur h ILE 55 CO 0.01 0.86 -0.99 0.00 0.00 0.00 0.00 178.15 178.03 1iur h ALA 56 N 0.50 0.02 -0.69 1.87 0.00 -1.77 -3.19 119.26 116.00 1iur h ALA 56 Ca -0.18 -0.70 0.06 0.00 0.00 0.00 0.00 54.91 54.09 1iur h ALA 56 Cb 2.01 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1iur h ALA 56 CO 0.20 0.56 0.40 -0.97 0.00 0.00 0.00 179.25 179.43 1iur h ASN 57 N 0.11 0.60 0.10 0.00 -0.73 -1.70 0.20 115.58 114.16 1iur h ASN 57 Ca -0.15 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 1iur h ASN 57 Cb 1.69 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 40.19 1iur h ASN 57 CO 0.19 0.39 -0.05 -0.08 -0.37 0.00 0.00 177.43 177.50 1iur h GLU 58 N 0.73 -0.14 -0.15 6.67 4.81 -1.64 -0.99 114.58 123.87 1iur h GLU 58 Ca 0.31 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1iur h GLU 58 Cb 0.18 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1iur h GLU 58 CO -0.18 -0.09 -0.23 0.28 -0.73 0.00 0.00 179.01 178.06 1iur h VAL 59 N -0.15 1.23 -0.13 0.32 2.07 -1.46 -2.79 116.25 115.35 1iur h VAL 59 Ca -0.01 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1iur h VAL 59 Cb 0.12 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1iur h VAL 59 CO 0.02 0.33 0.01 0.15 0.02 0.00 0.00 177.57 178.10 1iur h PHE 60 N 0.25 0.24 -0.76 1.57 3.04 -0.25 0.05 116.94 121.08 1iur h PHE 60 Ca 0.04 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1iur h PHE 60 Cb 0.55 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1iur h PHE 60 CO 0.01 0.42 0.50 0.87 -2.02 0.00 0.00 178.31 178.09 1iur h LYS 61 N -0.02 0.93 -0.07 1.11 1.57 -1.07 0.24 116.57 119.26 1iur h LYS 61 Ca 0.04 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1iur h LYS 61 Cb 0.32 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1iur h LYS 61 CO 0.00 0.62 -0.81 1.25 -0.57 0.00 0.00 179.45 179.94 1iur h HIS 62 N 0.96 0.67 -0.25 -1.35 2.76 -1.34 -1.95 115.15 114.66 1iur h HIS 62 Ca 0.29 -0.32 -0.20 0.00 -2.20 0.00 0.00 60.37 57.94 1iur h HIS 62 Cb -0.01 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1iur h HIS 62 CO -0.00 1.11 -0.62 1.25 -1.30 0.00 0.00 177.93 178.37 1iur h LEU 63 N 0.31 0.97 0.23 0.26 5.85 -0.29 -1.83 115.31 120.81 1iur h LEU 63 Ca -0.05 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 1iur h LEU 63 Cb 1.41 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1iur h LEU 63 CO 0.14 1.36 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.89 1iur h GLN 64 N 0.63 -0.29 -0.08 1.25 4.15 -0.59 -3.11 115.11 117.06 1iur h GLN 64 Ca -0.01 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1iur h GLN 64 Cb 1.24 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 1iur h GLN 64 CO 0.14 0.06 0.05 -0.97 -1.93 0.00 0.00 178.83 176.18 1iur h ASN 65 N -0.72 0.10 0.16 -0.69 -1.24 -1.44 -1.05 115.58 110.69 1iur h ASN 65 Ca -0.03 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1iur h ASN 65 Cb 0.49 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.51 1iur h ASN 65 CO 0.05 0.07 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.83 1iur h GLU 66 N 0.11 0.00 0.10 6.67 4.39 -1.27 -1.99 114.58 122.60 1iur h GLU 66 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1iur h GLU 66 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1iur h GLU 66 CO -0.01 0.10 -0.05 0.82 -1.16 0.00 0.00 179.01 178.72 1iur h ILE 67 N 0.00 0.00 -0.34 3.13 2.04 -1.13 -2.77 117.51 118.44 1iur h ILE 67 Ca -0.00 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1iur h ILE 67 Cb 0.21 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1iur h ILE 67 CO 0.01 0.00 0.28 -0.55 0.00 0.00 0.00 178.15 177.89 1iur h ASN 68 N -0.17 0.00 -0.49 1.72 -1.07 -1.64 0.61 115.58 114.55 1iur h ASN 68 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.37 1iur h ASN 68 Cb 0.11 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.33 1iur h ASN 68 CO 0.02 0.00 0.31 -0.09 0.07 0.00 0.00 177.43 177.75 1iur h ARG 69 N 0.00 0.62 0.08 4.14 2.43 -1.31 -1.40 114.38 118.93 1iur h ARG 69 Ca 0.16 -0.04 -0.36 0.00 -0.81 0.00 0.00 59.98 58.93 1iur h ARG 69 Cb 0.72 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1iur h ARG 69 CO -0.00 0.41 -2.09 1.28 -1.51 0.00 0.00 179.97 178.06 1iur n LEU 70 N -4.77 2.46 0.10 3.80 4.77 -0.53 -3.33 117.00 119.50 1iur n LEU 70 Ca 0.03 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.30 1iur n LEU 70 Cb 0.04 -0.90 0.66 0.00 -2.33 0.00 0.00 43.42 40.89 1iur n LEU 70 CO 0.34 0.82 1.14 -0.08 -1.33 0.00 0.00 177.39 178.28 1iur h GLU 71 N 0.05 0.02 0.05 3.23 4.22 0.16 0.17 114.58 122.47 1iur h GLU 71 Ca -0.45 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.83 1iur h GLU 71 Cb 2.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1iur h GLU 71 CO 0.05 0.01 -0.83 -0.22 -2.18 0.00 0.00 179.01 175.84 1iur h LYS 72 N 0.02 0.10 -0.81 1.92 3.64 -1.41 -2.99 116.57 117.04 1iur h LYS 72 Ca 0.16 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1iur h LYS 72 Cb 0.60 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1iur h LYS 72 CO -0.00 1.08 0.54 1.96 -2.27 0.00 0.00 179.45 180.75 1iur h GLN 73 N -0.75 1.02 -0.06 1.90 4.20 -1.45 0.04 115.11 120.01 1iur h GLN 73 Ca -0.20 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.29 1iur h GLN 73 Cb 1.36 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1iur h GLN 73 CO -0.03 0.67 -0.67 0.00 -0.67 0.00 0.00 178.83 178.14 1iur h ALA 74 N 1.51 0.76 0.32 3.87 0.00 -0.82 -1.02 119.26 123.88 1iur h ALA 74 Ca 0.31 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1iur h ALA 74 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1iur h ALA 74 CO -0.08 0.77 -0.15 0.35 0.00 0.00 0.00 179.25 180.13 1iur h PHE 75 N 0.18 -0.40 0.21 0.00 3.04 -1.18 -3.34 116.94 115.45 1iur h PHE 75 Ca -0.02 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1iur h PHE 75 Cb 1.20 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.85 1iur h PHE 75 CO 0.03 -0.09 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.06 1iur h LEU 76 N -0.99 -0.24 1.92 0.59 4.07 -1.11 -3.47 115.31 116.07 1iur h LEU 76 Ca -0.04 -0.07 -0.39 0.00 0.08 0.00 0.00 57.88 57.45 1iur h LEU 76 Cb 0.49 0.06 0.02 0.00 1.08 0.00 0.00 40.66 42.31 1iur h LEU 76 CO 0.07 -0.08 -0.55 0.47 -1.08 0.00 0.00 178.44 177.27 1iur n ASP 77 N -5.17 -5.84 -2.64 -0.43 8.00 -0.38 -3.84 116.55 106.25 1iur n ASP 77 Ca -0.09 -0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.24 1iur n ASP 77 Cb 0.17 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 1iur n ASP 77 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1iur n GLN 78 N -3.40 -2.78 0.00 -1.24 0.00 -1.26 -5.02 117.38 103.68 1iur n GLN 78 Ca -0.18 2.35 0.00 0.00 -0.00 0.00 0.00 57.00 59.17 1iur n GLN 78 Cb 0.65 -5.09 0.00 0.00 0.00 0.00 0.00 30.24 25.80 1iur n GLN 78 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1iur n ASN 79 N 0.27 1.80 -4.90 1.69 6.94 -1.25 -5.08 115.26 114.72 1iur n ASN 79 Ca 0.04 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.32 1iur n ASN 79 Cb 0.16 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.59 1iur n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iur s ALA 80 N -1.87 3.31 -0.02 -2.53 0.00 -1.26 -5.03 121.76 114.35 1iur s ALA 80 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1iur s ALA 80 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1iur s ALA 80 CO 0.00 -0.57 -0.02 -0.25 0.00 0.00 0.00 175.76 174.92 1iur n ASP 81 N -2.46 0.60 0.08 0.00 8.00 -1.26 -5.02 116.55 116.48 1iur n ASP 81 Ca 0.03 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1iur n ASP 81 Cb 0.56 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1iur n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iur n ARG 82 N -3.02 0.00 -2.68 -1.24 3.00 -1.26 -5.10 116.66 106.36 1iur n ARG 82 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.43 1iur n ARG 82 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.93 1iur n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iur s ALA 83 N -2.00 3.20 0.11 7.54 0.00 -1.26 -4.98 121.76 124.37 1iur s ALA 83 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1iur s ALA 83 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1iur s ALA 83 CO 0.00 0.03 0.00 0.43 0.00 0.00 0.00 175.76 176.22 1iur n SER 84 N 0.49 1.00 -1.27 0.00 7.64 -1.26 -4.89 113.62 115.33 1iur n SER 84 Ca 0.02 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 60.02 1iur n SER 84 Cb 0.49 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1iur n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iur n ARG 85 N -3.46 0.12 -3.99 1.43 1.74 -1.26 -5.06 116.66 106.18 1iur n ARG 85 Ca 0.00 -1.34 -0.31 0.00 -0.77 0.00 0.00 57.85 55.44 1iur n ARG 85 Cb 0.00 0.31 -0.15 0.00 -1.02 0.00 0.00 32.46 31.61 1iur n ARG 85 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1iur s ARG 86 N -0.08 1.65 -0.36 5.56 3.52 -1.26 -5.08 118.95 122.90 1iur s ARG 86 Ca 0.10 -2.12 -0.19 0.00 -0.13 0.00 0.00 55.73 53.39 1iur s ARG 86 Cb 0.14 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1iur s ARG 86 CO -0.05 -1.00 0.58 0.99 -0.81 0.00 0.00 175.30 175.01 1iur s THR 87 N 0.51 4.95 0.00 4.11 2.01 -1.26 -5.03 115.64 120.93 1iur s THR 87 Ca 0.13 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1iur s THR 87 Cb -0.21 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1iur s THR 87 CO -0.05 -0.29 0.00 0.33 -0.69 0.00 0.00 174.62 173.91