#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 1.76 -3.06 3.17 -0.00 -1.26 -4.85 115.22 110.97 1iur n HIS 2 Ca 0.00 -1.95 -0.17 0.00 -0.00 0.00 0.00 57.72 55.60 1iur n HIS 2 Cb 0.00 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 29.65 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 -0.77 -2.02 -0.56 4.41 8.25 -1.26 -4.93 115.22 118.34 1iur n HIS 3 Ca 0.33 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.22 1iur n HIS 3 Cb 0.88 0.69 0.00 0.00 1.12 0.00 0.00 29.99 32.68 1iur n HIS 3 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1iur n HIS 4 N 2.33 0.00 0.00 4.41 -0.00 -1.26 -5.04 115.22 115.66 1iur n HIS 4 Ca 0.21 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1iur n HIS 4 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 1iur n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1iur n HIS 5 N -0.14 0.00 -3.79 -1.40 -0.00 -1.26 -4.66 115.22 103.97 1iur n HIS 5 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 1iur n HIS 5 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.28 1iur n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1iur s HIS 6 N 0.00 -0.09 -0.13 1.57 -0.00 -1.26 -5.18 115.29 110.20 1iur s HIS 6 Ca 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 55.06 54.69 1iur s HIS 6 Cb 0.00 0.67 0.04 0.00 -0.00 0.00 0.00 32.58 33.28 1iur s HIS 6 CO 0.00 -0.92 0.34 -1.58 -0.00 0.00 0.00 174.74 172.58 1iur s HIS 7 N -3.14 -0.40 0.05 0.38 5.65 -1.26 -5.17 115.29 111.40 1iur s HIS 7 Ca 0.14 0.95 0.03 0.00 0.25 0.00 0.00 55.06 56.43 1iur s HIS 7 Cb -0.02 0.14 -0.03 0.00 -1.18 0.00 0.00 32.58 31.49 1iur s HIS 7 CO 0.04 -0.21 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.32 1iur s LEU 8 N 0.49 2.28 0.01 8.88 1.43 -1.26 -5.16 118.68 125.35 1iur s LEU 8 Ca -0.03 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1iur s LEU 8 Cb -0.04 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1iur s LEU 8 CO -0.03 -0.20 -0.23 0.68 0.23 0.00 0.00 176.35 176.81 1iur s VAL 9 N -1.54 1.84 -0.49 -1.59 -7.23 -1.26 -5.07 120.40 105.06 1iur s VAL 9 Ca -0.07 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 1iur s VAL 9 Cb -0.09 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.19 1iur s VAL 9 CO 0.00 0.40 2.36 -2.65 -0.31 0.00 0.00 175.10 174.91 1iur n PRO 10 N 2.18 1.00 -0.03 4.82 -0.02 -1.26 -4.82 135.00 136.88 1iur n PRO 10 Ca -0.16 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1iur n PRO 10 Cb 0.52 -2.77 0.05 0.00 -0.02 0.00 0.00 33.50 31.29 1iur n PRO 10 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1iur h ARG 11 N 15.35 0.65 0.00 -0.52 2.43 -2.07 -3.42 114.38 126.81 1iur h ARG 11 Ca -0.24 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1iur h ARG 11 Cb 1.29 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1iur h ARG 11 CO 1.12 0.99 0.00 0.41 -1.51 0.00 0.00 179.97 180.98 1iur n GLY 12 N 0.16 -0.13 0.52 2.80 0.00 -1.26 -5.11 105.19 102.16 1iur n GLY 12 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1iur n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iur n SER 13 N -2.15 -0.13 0.00 1.61 3.41 -1.26 -5.03 113.62 110.07 1iur n SER 13 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1iur n SER 13 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1iur n SER 13 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iur n ILE 14 N -1.91 0.00 0.00 -1.33 2.08 -1.26 -4.18 119.36 112.76 1iur n ILE 14 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1iur n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1iur n ILE 14 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1iur n LEU 15 N 0.00 0.09 0.20 1.39 7.99 -1.26 -2.27 117.00 123.14 1iur n LEU 15 Ca 0.00 0.82 0.18 0.00 -0.01 0.00 0.00 56.01 57.01 1iur n LEU 15 Cb 0.00 -0.40 0.82 0.00 -0.11 0.00 0.00 43.42 43.74 1iur n LEU 15 CO 0.00 -0.40 1.16 0.07 -1.51 0.00 0.00 177.39 176.71 1iur h LYS 16 N 0.00 0.00 -0.00 3.23 2.10 -1.99 0.19 116.57 120.10 1iur h LYS 16 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1iur h LYS 16 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1iur h LYS 16 CO 0.00 0.00 -0.36 1.49 -2.00 0.00 0.00 179.45 178.58 1iur h GLU 17 N 0.00 0.01 -0.20 0.07 4.81 -1.80 -2.77 114.58 114.70 1iur h GLU 17 Ca 0.10 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1iur h GLU 17 Cb 0.69 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1iur h GLU 17 CO -0.00 0.37 -0.58 0.28 -0.73 0.00 0.00 179.01 178.35 1iur h VAL 18 N 0.01 1.31 0.00 0.32 2.07 -0.17 -1.71 116.25 118.08 1iur h VAL 18 Ca -0.00 -1.82 -0.08 0.00 0.82 0.00 0.00 66.70 65.62 1iur h VAL 18 Cb 0.64 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1iur h VAL 18 CO 0.05 0.57 -0.36 0.74 0.02 0.00 0.00 177.57 178.59 1iur h THR 19 N 0.48 1.10 0.07 2.57 2.02 -1.49 -1.16 112.91 116.50 1iur h THR 19 Ca 0.00 -1.32 -0.12 0.00 0.77 0.00 0.00 66.41 65.75 1iur h THR 19 Cb 1.15 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1iur h THR 19 CO 0.11 0.36 -0.55 0.28 0.37 0.00 0.00 175.52 176.08 1iur h SER 20 N 0.00 0.24 -0.51 4.18 0.02 -1.39 -3.12 113.55 112.97 1iur h SER 20 Ca -0.00 -0.94 -0.04 0.00 -0.84 0.00 0.00 61.79 59.97 1iur h SER 20 Cb 0.71 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1iur h SER 20 CO 0.05 1.26 0.18 1.62 -1.14 0.00 0.00 176.83 178.79 1iur h VAL 21 N -0.67 1.22 -0.53 2.27 3.04 -1.30 -0.83 116.25 119.45 1iur h VAL 21 Ca -0.11 -0.73 0.02 0.00 -1.01 0.00 0.00 66.70 64.87 1iur h VAL 21 Cb 1.37 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.36 1iur h VAL 21 CO 0.06 0.27 0.34 1.62 -1.01 0.00 0.00 177.57 178.85 1iur h VAL 22 N 0.69 1.09 -0.04 1.51 3.04 -1.35 -0.46 116.25 120.72 1iur h VAL 22 Ca 0.17 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.51 1iur h VAL 22 Cb 0.24 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.87 1iur h VAL 22 CO -0.01 0.12 -0.49 1.05 -1.01 0.00 0.00 177.57 177.24 1iur h GLU 23 N 0.68 0.11 -0.01 4.17 4.11 -1.46 -2.50 114.58 119.68 1iur h GLU 23 Ca 0.21 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.45 1iur h GLU 23 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1iur h GLU 23 CO -0.07 0.58 -0.60 1.96 0.07 0.00 0.00 179.01 180.94 1iur h GLN 24 N 0.09 0.05 0.03 1.06 1.08 -0.52 -3.15 115.11 113.74 1iur h GLN 24 Ca 0.00 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 56.93 1iur h GLN 24 Cb 0.90 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1iur h GLN 24 CO 0.07 0.64 -1.01 0.00 -0.95 0.00 0.00 178.83 177.57 1iur h ALA 25 N 1.36 0.27 -0.30 3.87 0.00 -0.89 -3.19 119.26 120.38 1iur h ALA 25 Ca -0.01 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 54.26 1iur h ALA 25 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1iur h ALA 25 CO 0.08 0.81 0.28 -1.49 0.00 0.00 0.00 179.25 178.93 1iur h TRP 26 N 0.24 0.00 -0.25 0.00 6.55 -1.41 -0.06 115.95 121.02 1iur h TRP 26 Ca -0.10 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.81 1iur h TRP 26 Cb 1.66 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.95 1iur h TRP 26 CO 0.07 0.00 0.19 0.87 -1.05 0.00 0.00 178.44 178.52 1iur h LYS 27 N 0.00 0.00 -6.99 0.49 1.57 -1.61 -3.42 116.57 106.61 1iur h LYS 27 Ca 0.14 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.44 1iur h LYS 27 Cb 0.70 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1iur h LYS 27 CO -0.00 0.00 0.23 -0.51 -0.57 0.00 0.00 179.45 178.60 1iur s LEU 28 N -8.68 3.77 0.00 2.94 1.43 -0.04 -5.03 118.68 113.07 1iur s LEU 28 Ca -0.05 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1iur s LEU 28 Cb 0.18 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1iur s LEU 28 CO 0.67 -0.46 0.82 -0.81 0.23 0.00 0.00 176.35 176.81 1iur n PRO 29 N -1.31 0.00 0.00 1.29 -0.04 -1.26 -4.61 135.00 129.07 1iur n PRO 29 Ca 0.04 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1iur n PRO 29 Cb 0.54 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1iur n PRO 29 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iur n GLU 30 N -1.64 0.00 -0.10 0.54 0.28 -1.26 -4.79 120.64 113.66 1iur n GLU 30 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1iur n GLU 30 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1iur n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1iur h SER 31 N 0.00 -0.20 0.59 -1.84 0.87 -2.01 -1.18 113.55 109.78 1iur h SER 31 Ca 0.00 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1iur h SER 31 Cb 0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1iur h SER 31 CO 0.00 -0.06 -1.46 -0.62 -0.53 0.00 0.00 176.83 174.16 1iur n GLU 32 N -5.21 0.63 0.12 2.24 1.02 -1.26 -4.14 120.64 114.05 1iur n GLU 32 Ca 0.01 0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1iur n GLU 32 Cb 0.18 -1.72 -0.08 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 0.00 -0.27 0.00 3.49 2.43 -1.71 -2.68 114.38 115.64 1iur h ARG 33 Ca -0.07 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1iur h ARG 33 Cb 1.20 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1iur h ARG 33 CO 0.01 -0.05 -0.02 0.87 -1.51 0.00 0.00 179.97 179.27 1iur h LYS 34 N -0.45 0.00 -0.22 0.20 1.57 -1.42 -2.09 116.57 114.16 1iur h LYS 34 Ca -0.03 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1iur h LYS 34 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1iur h LYS 34 CO 0.05 0.02 0.15 0.87 -0.57 0.00 0.00 179.45 179.97 1iur h LYS 35 N 0.00 0.15 0.04 3.15 1.57 -1.63 0.23 116.57 120.08 1iur h LYS 35 Ca -0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1iur h LYS 35 Cb 0.10 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1iur h LYS 35 CO 0.00 0.10 -0.23 0.82 -0.57 0.00 0.00 179.45 179.58 1iur h ILE 36 N 0.16 1.71 0.00 1.86 5.03 -1.46 -2.89 117.51 121.92 1iur h ILE 36 Ca 0.09 -2.38 -0.04 0.00 -0.12 0.00 0.00 64.86 62.42 1iur h ILE 36 Cb 0.18 3.32 -0.01 0.00 -3.03 0.00 0.00 36.82 37.28 1iur h ILE 36 CO -0.01 0.63 -0.19 0.40 -0.68 0.00 0.00 178.15 178.30 1iur h ILE 37 N -0.81 0.81 0.03 -0.67 5.03 -1.53 -1.63 117.51 118.74 1iur h ILE 37 Ca -0.04 -0.73 -0.22 0.00 -0.12 0.00 0.00 64.86 63.75 1iur h ILE 37 Cb 1.17 1.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.38 1iur h ILE 37 CO 0.04 0.18 -0.98 -0.09 -0.68 0.00 0.00 178.15 176.63 1iur h ARG 38 N 0.00 0.22 0.01 2.37 2.43 -0.63 -1.07 114.38 117.71 1iur h ARG 38 Ca -0.00 -0.27 -0.21 0.00 -0.81 0.00 0.00 59.98 58.68 1iur h ARG 38 Cb 0.42 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1iur h ARG 38 CO 0.02 1.03 -0.92 0.00 -1.51 0.00 0.00 179.97 178.59 1iur h ARG 39 N 0.10 0.28 0.04 0.20 3.08 -1.22 -1.97 114.38 114.91 1iur h ARG 39 Ca -0.06 -0.32 -0.24 0.00 0.07 0.00 0.00 59.98 59.43 1iur h ARG 39 Cb 1.64 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.76 1iur h ARG 39 CO 0.15 1.03 -1.18 -0.07 -1.07 0.00 0.00 179.97 178.83 1iur h LEU 40 N 0.15 0.14 -0.32 3.04 -0.00 -1.36 -3.18 115.31 113.78 1iur h LEU 40 Ca -0.06 -0.17 -0.19 0.00 -0.00 0.00 0.00 57.88 57.46 1iur h LEU 40 Cb 1.56 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 42.16 1iur h LEU 40 CO 0.15 1.13 -0.85 0.22 -0.00 0.00 0.00 178.44 179.09 1iur h TYR 41 N 0.03 0.20 -0.93 1.13 5.03 -1.23 -2.23 116.97 118.96 1iur h TYR 41 Ca -0.09 -0.11 -0.49 0.00 2.58 0.00 0.00 58.73 60.62 1iur h TYR 41 Cb 1.87 -0.02 -0.29 0.00 1.55 0.00 0.00 36.73 39.84 1iur h TYR 41 CO 0.02 0.92 0.62 1.28 -1.32 0.00 0.00 178.16 179.68 1iur n LEU 42 N -3.64 6.55 0.00 2.82 4.77 -0.74 -4.20 117.00 122.55 1iur n LEU 42 Ca -0.03 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 1iur n LEU 42 Cb 0.79 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1iur n LEU 42 CO 0.47 1.03 0.00 1.17 -1.33 0.00 0.00 177.39 178.73 1iur n LYS 43 N -1.03 0.00 -1.05 3.23 0.00 -1.20 -4.86 118.16 113.26 1iur n LYS 43 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.64 1iur n LYS 43 Cb 1.56 -0.36 0.10 0.00 0.00 0.00 0.00 35.03 36.33 1iur n LYS 43 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1iur n TRP 44 N -1.77 2.44 -3.42 5.64 7.02 -0.84 -4.84 117.44 121.67 1iur n TRP 44 Ca 0.00 -2.06 -0.37 0.00 -1.02 0.00 0.00 57.50 54.05 1iur n TRP 44 Cb 0.00 -1.02 -0.06 0.00 -2.42 0.00 0.00 31.31 27.82 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 -2.76 3.68 0.30 -5.99 2.46 -1.26 -4.50 115.29 107.23 1iur s HIS 45 Ca 0.47 1.04 0.20 0.00 0.47 0.00 0.00 55.06 57.24 1iur s HIS 45 Cb 0.38 -2.34 0.93 0.00 -0.13 0.00 0.00 32.58 31.42 1iur s HIS 45 CO 0.04 0.55 1.86 -1.00 -2.47 0.00 0.00 174.74 173.72 1iur h PRO 46 N 4.15 0.00 0.02 2.88 0.13 -1.92 -2.81 132.00 134.45 1iur h PRO 46 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 1iur h PRO 46 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1iur h PRO 46 CO 0.64 0.29 -0.97 -0.44 -0.23 0.00 0.00 178.00 177.29 1iur h ASP 47 N 0.00 0.08 -0.91 1.44 5.19 -1.94 -3.28 116.42 117.00 1iur h ASP 47 Ca -0.00 -0.08 -0.63 0.00 -0.62 0.00 0.00 57.03 55.70 1iur h ASP 47 Cb 0.65 -0.03 -0.33 0.00 0.18 0.00 0.00 39.33 39.80 1iur h ASP 47 CO 0.04 1.00 0.30 0.29 -3.12 0.00 0.00 179.24 177.75 1iur n LYS 48 N -3.46 2.98 -4.04 3.56 5.02 -1.08 -4.97 118.16 116.17 1iur n LYS 48 Ca -0.02 -3.57 -0.09 0.00 -2.02 0.00 0.00 58.31 52.61 1iur n LYS 48 Cb 0.90 -2.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 1iur n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1iur s ASN 49 N -2.41 0.24 0.00 4.39 0.01 -1.09 -4.72 114.94 111.35 1iur s ASN 49 Ca 0.60 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1iur s ASN 49 Cb 0.48 0.32 0.00 0.00 0.41 0.00 0.00 41.25 42.46 1iur s ASN 49 CO 0.01 -0.75 0.00 -2.65 -1.51 0.00 0.00 177.10 172.20 1iur n PRO 50 N -0.08 1.32 0.00 -0.60 -0.02 -1.26 -4.80 135.00 129.56 1iur n PRO 50 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1iur n PRO 50 Cb 0.63 0.00 0.39 0.00 -0.02 0.00 0.00 33.50 34.50 1iur n PRO 50 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1iur n GLU 51 N 0.00 0.01 -1.53 -0.52 0.28 -1.26 -4.74 120.64 112.88 1iur n GLU 51 Ca 0.00 0.18 -0.33 0.00 -0.16 0.00 0.00 57.16 56.85 1iur n GLU 51 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 1iur n GLU 51 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1iur n ASN 52 N -1.49 1.43 -0.06 -1.84 6.94 -1.26 -4.72 115.26 114.26 1iur n ASN 52 Ca 0.05 -0.47 -0.10 0.00 -0.02 0.00 0.00 54.58 54.04 1iur n ASN 52 Cb 0.21 -1.34 -0.15 0.00 -2.36 0.00 0.00 39.78 36.14 1iur n ASN 52 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1iur n HIS 53 N 14.15 0.55 0.09 -2.53 -0.00 -1.26 -3.29 115.22 122.93 1iur n HIS 53 Ca 0.48 0.19 -0.18 0.00 0.46 0.00 0.00 57.72 58.68 1iur n HIS 53 Cb 0.36 -1.10 -0.14 0.00 -0.12 0.00 0.00 29.99 28.99 1iur n HIS 53 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1iur h ASP 54 N 0.00 0.50 -0.01 0.26 1.82 -1.99 -2.96 116.42 114.03 1iur h ASP 54 Ca -0.41 -0.61 -0.04 0.00 -0.39 0.00 0.00 57.03 55.59 1iur h ASP 54 Cb 2.11 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.96 1iur h ASP 54 CO 0.05 1.49 -0.14 0.40 -1.61 0.00 0.00 179.24 179.44 1iur h ILE 55 N 0.09 1.53 -0.31 2.25 2.04 -1.96 -2.39 117.51 118.77 1iur h ILE 55 Ca -0.22 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 63.90 1iur h ILE 55 Cb 2.04 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 40.74 1iur h ILE 55 CO 0.20 0.47 0.20 0.00 0.00 0.00 0.00 178.15 179.02 1iur h ALA 56 N 0.31 0.39 -0.63 1.87 0.00 -1.71 -2.11 119.26 117.38 1iur h ALA 56 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1iur h ALA 56 Cb 0.85 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1iur h ALA 56 CO 0.03 -0.16 0.22 -0.91 0.00 0.00 0.00 179.25 178.42 1iur h ASN 57 N 0.40 0.86 0.96 0.00 4.21 -1.62 -0.42 115.58 119.97 1iur h ASN 57 Ca 0.12 -0.13 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 1iur h ASN 57 Cb -0.03 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 36.95 1iur h ASN 57 CO -0.03 0.80 -0.48 -0.33 -1.29 0.00 0.00 177.43 176.09 1iur h GLU 58 N 0.91 -1.26 -0.70 0.81 5.08 -1.00 0.51 114.58 118.93 1iur h GLU 58 Ca 0.21 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1iur h GLU 58 Cb 0.23 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1iur h GLU 58 CO -0.01 -0.84 0.45 0.28 -1.00 0.00 0.00 179.01 177.89 1iur h VAL 59 N -1.31 1.19 -0.36 3.13 2.07 -1.36 -2.29 116.25 117.31 1iur h VAL 59 Ca -0.13 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1iur h VAL 59 Cb 1.01 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1iur h VAL 59 CO 0.21 0.19 -0.07 0.15 0.02 0.00 0.00 177.57 178.06 1iur h PHE 60 N 0.96 0.65 0.00 1.57 3.57 -0.99 0.18 116.94 122.88 1iur h PHE 60 Ca 0.26 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1iur h PHE 60 Cb -0.08 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1iur h PHE 60 CO -0.02 0.67 -0.28 0.87 -2.23 0.00 0.00 178.31 177.32 1iur h LYS 61 N 0.56 0.00 0.00 1.11 1.79 0.58 0.57 116.57 121.18 1iur h LYS 61 Ca 0.11 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.31 1iur h LYS 61 Cb 0.47 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 1iur h LYS 61 CO 0.02 0.28 -1.75 1.58 -1.08 0.00 0.00 179.45 178.51 1iur n HIS 62 N -4.18 0.81 0.01 -1.35 -0.00 -0.95 -3.74 115.22 105.83 1iur n HIS 62 Ca -0.02 0.29 -0.06 0.00 0.46 0.00 0.00 57.72 58.39 1iur n HIS 62 Cb 0.33 -1.12 -0.04 0.00 -0.12 0.00 0.00 29.99 29.05 1iur n HIS 62 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1iur h LEU 63 N 0.00 -0.12 -2.45 0.27 6.46 -0.43 -1.65 115.31 117.39 1iur h LEU 63 Ca -0.29 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1iur h LEU 63 Cb 1.92 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.88 1iur h LEU 63 CO 0.06 0.46 0.15 1.56 -0.62 0.00 0.00 178.44 180.05 1iur h GLN 64 N -1.00 0.00 0.00 1.25 4.20 -1.11 0.38 115.11 118.83 1iur h GLN 64 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1iur h GLN 64 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1iur h GLN 64 CO 0.02 0.00 -1.51 -1.71 -0.67 0.00 0.00 178.83 174.97 1iur n ASN 65 N -3.33 0.53 0.07 1.46 5.15 -1.24 -4.11 115.26 113.79 1iur n ASN 65 Ca -0.01 0.21 -0.04 0.00 -0.60 0.00 0.00 54.58 54.14 1iur n ASN 65 Cb 0.24 0.90 -0.08 0.00 -0.53 0.00 0.00 39.78 40.30 1iur n ASN 65 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1iur h GLU 66 N 0.00 0.00 0.39 1.20 5.08 0.06 -3.14 114.58 118.17 1iur h GLU 66 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1iur h GLU 66 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iur h GLU 66 CO 0.01 0.82 -0.19 0.82 -1.00 0.00 0.00 179.01 179.47 1iur h ILE 67 N 0.00 0.00 -0.51 3.13 2.04 -1.49 -2.85 117.51 117.83 1iur h ILE 67 Ca -0.03 -0.22 0.14 0.00 1.00 0.00 0.00 64.86 65.74 1iur h ILE 67 Cb 1.68 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1iur h ILE 67 CO 0.11 0.00 0.36 -0.55 0.00 0.00 0.00 178.15 178.07 1iur h ASN 68 N -0.75 0.06 0.31 1.72 -1.07 -1.73 0.49 115.58 114.60 1iur h ASN 68 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.30 1iur h ASN 68 Cb 0.41 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1iur h ASN 68 CO 0.09 0.03 -0.15 -0.09 0.07 0.00 0.00 177.43 177.38 1iur h ARG 69 N 0.06 -0.40 0.11 4.14 2.43 -1.54 0.68 114.38 119.87 1iur h ARG 69 Ca 0.24 0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.27 1iur h ARG 69 Cb 0.89 0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1iur h ARG 69 CO -0.02 -0.26 -0.74 -0.07 -1.51 0.00 0.00 179.97 177.37 1iur h LEU 70 N -0.42 0.46 -2.23 3.80 3.38 -1.11 -3.11 115.31 116.09 1iur h LEU 70 Ca -0.04 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.06 1iur h LEU 70 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1iur h LEU 70 CO 0.07 1.34 0.16 -0.08 0.09 0.00 0.00 178.44 180.02 1iur h GLU 71 N -0.35 0.00 0.12 1.13 4.22 -0.09 0.20 114.58 119.81 1iur h GLU 71 Ca -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 1iur h GLU 71 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1iur h GLU 71 CO 0.14 0.00 -0.06 -0.22 -2.18 0.00 0.00 179.01 176.69 1iur h LYS 72 N 0.00 -0.15 -0.39 1.92 3.11 -0.90 -3.22 116.57 116.93 1iur h LYS 72 Ca 0.07 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.97 1iur h LYS 72 Cb 0.39 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1iur h LYS 72 CO -0.00 -0.10 0.26 1.96 -2.81 0.00 0.00 179.45 178.76 1iur h GLN 73 N -0.68 0.36 0.00 1.90 4.20 -1.45 -0.86 115.11 118.59 1iur h GLN 73 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1iur h GLN 73 Cb 0.12 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1iur h GLN 73 CO 0.03 0.24 -0.02 0.00 -0.67 0.00 0.00 178.83 178.41 1iur h ALA 74 N 1.78 1.87 -0.50 3.87 0.00 -0.73 -1.72 119.26 123.84 1iur h ALA 74 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1iur h ALA 74 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iur h ALA 74 CO -0.04 0.02 0.18 0.35 0.00 0.00 0.00 179.25 179.76 1iur h PHE 75 N 0.00 0.72 0.80 0.00 3.57 -1.16 -3.14 116.94 117.73 1iur h PHE 75 Ca -0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1iur h PHE 75 Cb 0.03 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1iur h PHE 75 CO 0.00 0.57 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.14 1iur h LEU 76 N 0.71 -1.10 -8.24 0.59 4.07 -1.41 -3.36 115.31 106.58 1iur h LEU 76 Ca 0.17 0.05 -0.52 0.00 0.08 0.00 0.00 57.88 57.66 1iur h LEU 76 Cb 0.17 0.31 -0.08 0.00 1.08 0.00 0.00 40.66 42.13 1iur h LEU 76 CO -0.01 -0.71 1.24 -0.62 -1.08 0.00 0.00 178.44 177.26 1iur s ASP 77 N -3.87 6.07 0.15 -0.43 -1.08 -1.19 -4.41 116.67 111.92 1iur s ASP 77 Ca -0.17 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 1iur s ASP 77 Cb 0.02 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1iur s ASP 77 CO 0.54 -1.88 0.00 1.67 0.52 0.00 0.00 175.17 176.01 1iur n GLN 78 N 9.05 0.00 -0.08 4.34 7.27 -1.26 -4.94 117.38 131.76 1iur n GLN 78 Ca 0.25 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.21 1iur n GLN 78 Cb 0.50 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.06 1iur n GLN 78 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1iur n ASN 79 N -2.88 2.35 -1.15 1.69 2.85 -1.26 -5.11 115.26 111.74 1iur n ASN 79 Ca 0.00 -0.07 0.09 0.00 -0.11 0.00 0.00 54.58 54.49 1iur n ASN 79 Cb 0.00 0.04 -0.02 0.00 1.24 0.00 0.00 39.78 41.03 1iur n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iur n ALA 80 N -2.87 -1.75 -0.21 5.20 0.00 -1.26 -4.92 120.51 114.69 1iur n ALA 80 Ca -0.29 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1iur n ALA 80 Cb 0.86 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1iur n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iur n ASP 81 N -3.41 0.00 -3.67 0.00 9.92 -1.26 -5.08 116.55 113.05 1iur n ASP 81 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.09 1iur n ASP 81 Cb 0.31 -0.03 -0.17 0.00 -0.64 0.00 0.00 41.12 40.60 1iur n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iur s ARG 82 N -0.79 -0.02 0.23 -1.24 1.70 -1.26 -5.15 118.95 112.43 1iur s ARG 82 Ca 0.00 0.47 0.08 0.00 -0.47 0.00 0.00 55.73 55.81 1iur s ARG 82 Cb 0.00 -0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 33.97 1iur s ARG 82 CO 0.00 -0.31 0.05 0.00 -1.08 0.00 0.00 175.30 173.96 1iur s ALA 83 N 2.16 3.28 -0.03 7.88 0.00 -1.26 -5.05 121.76 128.75 1iur s ALA 83 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1iur s ALA 83 Cb -0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1iur s ALA 83 CO -0.04 0.33 -0.03 0.43 0.00 0.00 0.00 175.76 176.45 1iur n SER 84 N -0.72 3.77 -1.41 0.00 7.64 -1.26 -5.14 113.62 116.49 1iur n SER 84 Ca -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1iur n SER 84 Cb 0.57 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1iur n SER 84 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1iur n ARG 85 N -2.59 -3.99 -4.23 1.43 3.00 -1.26 -5.08 116.66 103.94 1iur n ARG 85 Ca -0.05 3.00 -0.17 0.00 -0.00 0.00 0.00 57.85 60.63 1iur n ARG 85 Cb 0.56 -3.44 -0.08 0.00 0.00 0.00 0.00 32.46 29.49 1iur n ARG 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1iur s ARG 86 N -4.25 1.63 -0.22 -0.14 0.52 -1.26 -5.05 118.95 110.19 1iur s ARG 86 Ca 0.00 -1.88 -0.10 0.00 -0.52 0.00 0.00 55.73 53.24 1iur s ARG 86 Cb 0.00 0.33 0.04 0.00 0.52 0.00 0.00 34.95 35.84 1iur s ARG 86 CO 0.00 -0.60 0.19 2.41 0.02 0.00 0.00 175.30 177.32 1iur n THR 87 N -0.52-12.76 -0.50 0.02 -1.04 -1.26 -5.36 114.28 92.86 1iur n THR 87 Ca 0.05 2.58 0.00 0.00 -2.04 0.00 0.00 64.05 64.64 1iur n THR 87 Cb 0.63 -6.67 0.00 0.00 -1.82 0.00 0.00 70.33 62.47 1iur n THR 87 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92