#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s ARG 2 N 0.00 2.12 0.10 2.12 3.52 -0.58 -4.84 118.95 121.39 2qbd s ARG 2 Ca 0.00 -2.25 0.05 0.00 -0.13 0.00 0.00 55.73 53.40 2qbd s ARG 2 Cb 0.00 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 2qbd s ARG 2 CO 0.00 -0.25 0.01 -1.01 -0.81 0.00 0.00 175.30 173.25 2qbd s HIS 3 N -2.80 3.00 -0.11 5.12 3.76 -1.26 0.12 115.29 123.13 2qbd s HIS 3 Ca 0.20 -0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 54.98 2qbd s HIS 3 Cb 0.05 -1.53 0.03 0.00 1.11 0.00 0.00 32.58 32.24 2qbd s HIS 3 CO 0.10 0.49 0.29 0.71 -0.85 0.00 0.00 174.74 175.48 2qbd s TYR 4 N -1.39 -0.32 -1.00 1.40 2.02 -0.23 0.11 117.35 117.95 2qbd s TYR 4 Ca 0.27 0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 57.73 2qbd s TYR 4 Cb -0.11 0.11 0.31 0.00 -0.40 0.00 0.00 41.96 41.87 2qbd s TYR 4 CO 0.19 -0.16 1.54 -1.91 -1.57 0.00 0.00 175.55 173.64 2qbd n GLU 5 N 3.01 4.67 -2.13 -0.62 2.13 -1.02 -1.39 120.64 125.29 2qbd n GLU 5 Ca -0.14 -4.63 -0.42 0.00 0.66 0.00 0.00 57.16 52.63 2qbd n GLU 5 Cb 0.58 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.80 2qbd n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qbd s ILE 6 N -3.53 3.08 -0.10 6.31 1.10 -1.26 -3.93 121.20 122.88 2qbd s ILE 6 Ca 0.36 0.84 -0.03 0.00 -0.51 0.00 0.00 60.65 61.30 2qbd s ILE 6 Cb 0.13 -3.54 0.05 0.00 0.15 0.00 0.00 42.46 39.25 2qbd s ILE 6 CO -0.01 0.10 0.09 0.54 -2.11 0.00 0.00 174.94 173.54 2qbd s VAL 7 N 0.57 -0.12 -0.00 4.00 0.11 -0.29 -1.84 120.40 122.82 2qbd s VAL 7 Ca 0.61 0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.89 2qbd s VAL 7 Cb -0.38 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2qbd s VAL 7 CO 0.35 -0.03 -0.23 0.72 -3.33 0.00 0.00 175.10 172.58 2qbd s PHE 8 N 2.17 2.07 -0.14 1.54 -0.12 -1.06 -1.97 117.98 120.48 2qbd s PHE 8 Ca 0.04 -0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 56.52 2qbd s PHE 8 Cb -0.14 -1.31 -0.01 0.00 -0.63 0.00 0.00 43.02 40.93 2qbd s PHE 8 CO -0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 175.22 174.98 2qbd s MET 9 N -0.71 3.38 0.17 1.99 0.23 -1.12 -1.87 119.30 121.37 2qbd s MET 9 Ca 0.09 -0.68 0.05 0.00 -1.03 0.00 0.00 55.69 54.12 2qbd s MET 9 Cb -0.09 -2.66 -0.04 0.00 -1.53 0.00 0.00 34.83 30.52 2qbd s MET 9 CO -0.00 0.18 0.17 0.08 -2.03 0.00 0.00 175.02 173.42 2qbd s VAL 10 N 0.44 4.63 0.30 5.16 1.01 -0.57 -1.41 120.40 129.96 2qbd s VAL 10 Ca -0.09 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2qbd s VAL 10 Cb -0.16 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 2qbd s VAL 10 CO 0.05 -0.14 1.23 1.57 0.00 0.00 0.00 175.10 177.81 2qbd n HIS 11 N -0.51 1.97 -0.07 5.22 -0.00 0.53 -2.11 115.22 120.24 2qbd n HIS 11 Ca -0.08 0.58 -0.07 0.00 0.46 0.00 0.00 57.72 58.61 2qbd n HIS 11 Cb 0.55 -2.38 -0.01 0.00 -0.12 0.00 0.00 29.99 28.04 2qbd n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbd h PRO 12 N 2.72 0.08 -1.08 1.57 0.13 -1.88 -1.77 132.00 131.76 2qbd h PRO 12 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2qbd h PRO 12 Cb 1.30 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2qbd h PRO 12 CO 0.65 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 2qbd n ASP 13 N -5.16 1.57 0.00 1.44 8.00 -1.26 -1.40 116.55 119.74 2qbd n ASP 13 Ca -0.00 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.11 2qbd n ASP 13 Cb 0.14 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2qbd n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbd n GLN 14 N 0.47 0.49 -0.36 -1.24 1.13 -0.67 -4.88 117.38 112.32 2qbd n GLN 14 Ca 0.00 -0.59 0.26 0.00 -1.94 0.00 0.00 57.00 54.73 2qbd n GLN 14 Cb 0.28 -0.62 0.52 0.00 0.11 0.00 0.00 30.24 30.53 2qbd n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2qbd h SER 15 N 0.00 0.45 0.27 1.08 0.87 -1.25 0.26 113.55 115.23 2qbd h SER 15 Ca 0.00 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2qbd h SER 15 Cb 0.77 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2qbd h SER 15 CO 0.00 -0.10 -0.05 1.05 -0.53 0.00 0.00 176.83 177.20 2qbd h GLU 16 N 0.29 0.00 0.02 2.24 9.09 -1.90 -1.82 114.58 122.50 2qbd h GLU 16 Ca 0.73 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.91 2qbd h GLU 16 Cb 1.84 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.91 2qbd h GLU 16 CO -0.51 0.05 -1.14 1.96 0.05 0.00 0.00 179.01 179.42 2qbd h GLN 17 N 0.00 0.04 -0.94 1.06 4.20 -0.87 -3.37 115.11 115.23 2qbd h GLN 17 Ca -0.00 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.78 2qbd h GLN 17 Cb 0.19 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 27.85 2qbd h GLN 17 CO 0.01 0.96 -0.39 0.28 -0.67 0.00 0.00 178.83 179.02 2qbd n VAL 18 N -3.33 -0.51 0.04 -0.54 0.31 -0.68 -0.25 118.33 113.37 2qbd n VAL 18 Ca -0.04 2.20 -0.12 0.00 -0.01 0.00 0.00 64.34 66.37 2qbd n VAL 18 Cb 0.97 -2.88 -0.07 0.00 -0.91 0.00 0.00 33.84 30.94 2qbd n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qbd h PRO 19 N 0.00 0.00 -0.70 5.55 0.13 -1.72 -2.12 132.00 133.14 2qbd h PRO 19 Ca 0.30 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.52 2qbd h PRO 19 Cb 0.54 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.60 2qbd h PRO 19 CO -0.92 0.02 0.34 0.78 -0.23 0.00 0.00 178.00 177.99 2qbd h GLY 20 N -0.02 1.04 0.50 1.56 0.00 -1.18 -2.22 103.07 102.75 2qbd h GLY 20 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.14 2qbd h GLY 20 CO -0.00 0.06 -0.25 -0.33 0.00 0.00 0.00 176.54 176.02 2qbd h MET 21 N 0.59 -0.40 -0.24 4.80 2.86 -0.34 -2.72 114.93 119.48 2qbd h MET 21 Ca 0.34 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.06 2qbd h MET 21 Cb 0.35 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 2qbd h MET 21 CO -0.26 -0.27 -0.39 0.82 1.06 0.00 0.00 176.91 177.87 2qbd h ILE 22 N -0.42 0.17 -0.64 -1.22 2.04 -0.80 -0.65 117.51 116.00 2qbd h ILE 22 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 2qbd h ILE 22 Cb 0.47 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 2qbd h ILE 22 CO -0.18 0.00 0.12 -0.08 0.00 0.00 0.00 178.15 178.00 2qbd h GLU 23 N -0.40 0.23 0.10 2.37 4.81 -1.31 0.26 114.58 120.64 2qbd h GLU 23 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2qbd h GLU 23 Cb 0.59 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2qbd h GLU 23 CO -0.46 0.15 -0.05 0.00 -0.73 0.00 0.00 179.01 177.93 2qbd h ARG 24 N 0.24 -0.13 -0.11 1.92 3.08 -1.07 0.51 114.38 118.82 2qbd h ARG 24 Ca 0.34 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.42 2qbd h ARG 24 Cb 0.53 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2qbd h ARG 24 CO -0.45 0.04 -0.05 1.88 -1.07 0.00 0.00 179.97 180.32 2qbd h TYR 25 N -0.27 -0.11 0.07 3.04 0.99 -0.51 -0.73 116.97 119.46 2qbd h TYR 25 Ca -0.01 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2qbd h TYR 25 Cb 0.22 0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.00 2qbd h TYR 25 CO -0.03 -0.08 -0.12 1.79 -0.00 0.00 0.00 178.16 179.72 2qbd h THR 26 N -0.03 0.71 -0.50 -2.88 1.35 -0.45 -2.23 112.91 108.88 2qbd h THR 26 Ca 0.06 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.00 2qbd h THR 26 Cb 0.12 0.71 -0.07 0.00 -1.73 0.00 0.00 68.15 67.19 2qbd h THR 26 CO -0.14 0.00 0.13 0.00 -0.25 0.00 0.00 175.52 175.26 2qbd h ALA 27 N 0.66 0.59 -0.75 6.62 0.00 -0.67 -0.87 119.26 124.83 2qbd h ALA 27 Ca 0.02 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qbd h ALA 27 Cb 0.26 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2qbd h ALA 27 CO -0.07 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.30 2qbd h ALA 28 N 1.37 1.04 0.29 0.00 0.00 -0.85 0.64 119.26 121.75 2qbd h ALA 28 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2qbd h ALA 28 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qbd h ALA 28 CO -0.30 0.01 -0.14 0.82 0.00 0.00 0.00 179.25 179.64 2qbd h ILE 29 N 0.67 0.00 -0.84 0.00 2.04 -0.66 -3.17 117.51 115.54 2qbd h ILE 29 Ca 0.36 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 66.31 2qbd h ILE 29 Cb 0.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 2qbd h ILE 29 CO -0.25 0.00 0.55 0.74 0.00 0.00 0.00 178.15 179.19 2qbd h THR 30 N -0.47 0.77 -0.99 -0.27 2.02 -1.12 0.20 112.91 113.04 2qbd h THR 30 Ca -0.04 -0.17 0.23 0.00 0.77 0.00 0.00 66.41 67.20 2qbd h THR 30 Cb 0.30 0.23 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 2qbd h THR 30 CO 0.07 0.09 0.64 1.23 0.37 0.00 0.00 175.52 177.91 2qbd h GLY 31 N 0.50 1.18 -5.28 2.16 0.00 0.31 -1.23 103.07 100.70 2qbd h GLY 31 Ca 0.43 -0.22 -0.68 0.00 0.00 0.00 0.00 47.33 46.85 2qbd h GLY 31 CO -0.17 -0.08 0.10 0.00 0.00 0.00 0.00 176.54 176.40 2qbd n ALA 32 N -2.47 5.50 -2.73 3.60 0.00 -0.25 -4.83 120.51 119.33 2qbd n ALA 32 Ca 0.23 -4.47 -0.21 0.00 0.00 0.00 0.00 53.44 48.99 2qbd n ALA 32 Cb 0.77 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.93 2qbd n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbd n GLU 33 N -0.32 -3.19 -0.03 0.00 -0.58 -0.48 -4.84 120.64 111.20 2qbd n GLU 33 Ca 0.42 0.89 -0.03 0.00 -0.42 0.00 0.00 57.16 58.01 2qbd n GLU 33 Cb 0.39 -5.63 0.03 0.00 -0.57 0.00 0.00 31.44 25.66 2qbd n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbd n GLY 34 N -1.21 -3.62 2.69 0.62 0.00 0.52 -4.89 105.19 99.30 2qbd n GLY 34 Ca -0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 2qbd n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbd s LYS 35 N -3.24 0.29 0.21 1.61 2.20 -1.12 -4.67 119.74 115.02 2qbd s LYS 35 Ca 0.08 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 2qbd s LYS 35 Cb -0.01 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.20 2qbd s LYS 35 CO 0.06 -0.36 1.36 0.42 -0.36 0.00 0.00 175.35 176.47 2qbd s ILE 36 N 1.04 3.02 0.00 5.43 1.01 -1.26 -1.99 121.20 128.45 2qbd s ILE 36 Ca 0.23 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2qbd s ILE 36 Cb 0.11 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2qbd s ILE 36 CO -0.10 0.13 0.56 1.41 0.00 0.00 0.00 174.94 176.93 2qbd n HIS 37 N 2.56 0.00 -3.38 3.97 8.25 -1.23 -4.95 115.22 120.45 2qbd n HIS 37 Ca 0.06 -0.11 0.02 0.00 -0.26 0.00 0.00 57.72 57.43 2qbd n HIS 37 Cb 0.42 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2qbd n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbd s ARG 38 N -0.23 0.25 -0.48 -0.41 3.52 -1.20 -4.25 118.95 116.16 2qbd s ARG 38 Ca 0.00 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.25 2qbd s ARG 38 Cb 0.00 0.36 0.15 0.00 -1.56 0.00 0.00 34.95 33.90 2qbd s ARG 38 CO 0.00 -0.08 0.31 -1.17 -0.81 0.00 0.00 175.30 173.55 2qbd s LEU 39 N 2.32 2.67 -0.16 -0.88 1.98 -1.26 -3.07 118.68 120.28 2qbd s LEU 39 Ca -0.02 -2.94 -0.08 0.00 -2.89 0.00 0.00 54.13 48.20 2qbd s LEU 39 Cb -0.05 -0.96 -0.04 0.00 0.66 0.00 0.00 46.19 45.80 2qbd s LEU 39 CO -0.17 -0.21 0.10 -1.61 -1.89 0.00 0.00 176.35 172.57 2qbd s GLU 40 N -0.02 3.82 -0.64 1.98 2.02 -1.26 -4.93 118.70 119.66 2qbd s GLU 40 Ca 0.23 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 54.94 2qbd s GLU 40 Cb -0.13 -3.24 0.16 0.00 0.10 0.00 0.00 34.13 31.02 2qbd s GLU 40 CO -0.08 0.46 0.46 0.34 0.02 0.00 0.00 175.26 176.46 2qbd s ASP 41 N -0.13 5.27 0.00 -0.19 3.68 -1.26 -0.11 116.67 123.93 2qbd s ASP 41 Ca 0.09 -2.89 0.16 0.00 2.13 0.00 0.00 52.55 52.03 2qbd s ASP 41 Cb -0.12 -1.86 0.66 0.00 -1.45 0.00 0.00 42.92 40.15 2qbd s ASP 41 CO 0.01 -0.36 1.50 0.79 0.13 0.00 0.00 175.17 177.23 2qbd n TRP 42 N 3.44 0.01 -3.79 -5.34 8.01 -1.00 -4.96 117.44 113.80 2qbd n TRP 42 Ca 0.08 0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.28 2qbd n TRP 42 Cb 0.38 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 2qbd n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qbd n GLY 43 N 0.09 0.94 3.77 6.99 0.00 -1.15 -4.65 105.19 111.18 2qbd n GLY 43 Ca 0.04 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2qbd n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbd s ARG 44 N 0.00 3.82 -0.23 1.61 3.52 -1.25 -2.41 118.95 124.01 2qbd s ARG 44 Ca 0.00 2.43 -0.22 0.00 -0.13 0.00 0.00 55.73 57.81 2qbd s ARG 44 Cb 0.00 -2.75 0.06 0.00 -1.56 0.00 0.00 34.95 30.71 2qbd s ARG 44 CO 0.00 -0.71 0.63 0.50 -0.81 0.00 0.00 175.30 174.91 2qbd s ARG 45 N -2.34 0.74 0.56 5.12 3.52 0.14 -4.93 118.95 121.76 2qbd s ARG 45 Ca 0.58 0.86 -0.21 0.00 -0.13 0.00 0.00 55.73 56.84 2qbd s ARG 45 Cb -0.44 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 2qbd s ARG 45 CO 0.57 -0.09 1.28 -1.14 -0.81 0.00 0.00 175.30 175.11 2qbd s GLN 46 N 0.31 3.10 0.04 5.12 2.00 -1.26 0.09 119.66 129.06 2qbd s GLN 46 Ca -0.00 2.03 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 2qbd s GLN 46 Cb -0.04 -2.13 -0.04 0.00 0.80 0.00 0.00 33.01 31.60 2qbd s GLN 46 CO 0.01 -1.16 0.14 -0.51 -0.50 0.00 0.00 175.29 173.28 2qbd s LEU 47 N -3.72 4.12 0.24 3.68 1.43 0.26 -4.76 118.68 119.93 2qbd s LEU 47 Ca 0.74 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.97 2qbd s LEU 47 Cb -0.35 -2.63 0.25 0.00 0.03 0.00 0.00 46.19 43.49 2qbd s LEU 47 CO 0.40 0.21 1.78 0.00 0.23 0.00 0.00 176.35 178.97 2qbd h ALA 48 N 3.48 1.09 -2.78 4.21 0.00 -1.95 -3.44 119.26 119.86 2qbd h ALA 48 Ca -0.47 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 2qbd h ALA 48 Cb 1.17 -0.26 -0.20 0.00 0.00 0.00 0.00 17.79 18.51 2qbd h ALA 48 CO 0.69 0.61 -0.66 1.52 0.00 0.00 0.00 179.25 181.42 2qbd s TYR 49 N -5.32 0.28 -0.96 0.00 1.13 -1.26 -5.07 117.35 106.16 2qbd s TYR 49 Ca -0.11 -0.59 -0.23 0.00 -1.41 0.00 0.00 57.07 54.73 2qbd s TYR 49 Cb 0.15 -0.21 -0.13 0.00 -1.10 0.00 0.00 41.96 40.67 2qbd s TYR 49 CO 0.83 -0.25 1.92 -0.35 -2.51 0.00 0.00 175.55 175.18 2qbd n PRO 50 N 1.23 1.47 -1.62 -3.49 -0.04 -1.26 -4.86 135.00 126.42 2qbd n PRO 50 Ca -0.22 -2.13 -0.19 0.00 -0.04 0.00 0.00 63.50 60.93 2qbd n PRO 50 Cb 0.56 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 2qbd n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qbd s ILE 51 N 8.42 3.06 -0.67 0.52 2.07 -1.25 -3.19 121.20 130.15 2qbd s ILE 51 Ca 0.64 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.80 2qbd s ILE 51 Cb 0.06 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.53 2qbd s ILE 51 CO 0.14 -0.13 0.67 -3.20 -1.91 0.00 0.00 174.94 170.51 2qbd n ASN 52 N 17.70 -7.65 -1.35 4.50 5.15 -1.26 -4.79 115.26 127.56 2qbd n ASN 52 Ca 0.44 0.01 0.10 0.00 -0.60 0.00 0.00 54.58 54.53 2qbd n ASN 52 Cb 0.46 -5.08 -0.05 0.00 -0.53 0.00 0.00 39.78 34.57 2qbd n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qbd n LYS 53 N -1.47 -3.30 -1.70 1.20 4.76 -1.19 -5.03 118.16 111.43 2qbd n LYS 53 Ca 0.01 2.64 0.00 0.00 -2.87 0.00 0.00 58.31 58.09 2qbd n LYS 53 Cb 0.50 -3.57 0.00 0.00 -1.84 0.00 0.00 35.03 30.13 2qbd n LYS 53 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2qbd n LEU 54 N -3.49 -5.39 -1.47 -0.35 -0.00 -1.26 -4.87 117.00 100.16 2qbd n LEU 54 Ca -0.05 3.03 -0.11 0.00 -0.00 0.00 0.00 56.01 58.88 2qbd n LEU 54 Cb 0.55 -2.87 0.17 0.00 -0.00 0.00 0.00 43.42 41.26 2qbd n LEU 54 CO 0.02 -0.40 0.76 1.41 -0.00 0.00 0.00 177.39 179.19 2qbd n HIS 55 N 0.18 1.66 -3.63 1.96 8.25 -1.26 -3.96 115.22 118.41 2qbd n HIS 55 Ca 0.00 -1.83 -0.15 0.00 -0.26 0.00 0.00 57.72 55.47 2qbd n HIS 55 Cb 0.00 -0.61 -0.14 0.00 1.12 0.00 0.00 29.99 30.36 2qbd n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbd s LYS 56 N -3.35 0.12 0.11 -0.41 3.01 -1.26 0.93 119.74 118.89 2qbd s LYS 56 Ca 0.48 0.59 0.01 0.00 -1.01 0.00 0.00 55.97 56.04 2qbd s LYS 56 Cb 0.42 -0.32 0.01 0.00 -1.01 0.00 0.00 37.83 36.93 2qbd s LYS 56 CO 0.01 -0.36 0.06 0.00 0.51 0.00 0.00 175.35 175.57 2qbd n ALA 57 N 5.34 0.14 -3.52 5.17 0.00 0.11 -4.15 120.51 123.60 2qbd n ALA 57 Ca -0.05 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.65 2qbd n ALA 57 Cb 0.50 0.20 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 2qbd n ALA 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qbd s HIS 58 N -0.80 1.33 0.56 0.00 2.46 -0.90 0.26 115.29 118.20 2qbd s HIS 58 Ca 0.04 -2.18 -0.17 0.00 0.47 0.00 0.00 55.06 53.22 2qbd s HIS 58 Cb -0.00 -1.24 -0.05 0.00 -0.13 0.00 0.00 32.58 31.15 2qbd s HIS 58 CO 0.03 -0.80 1.05 0.71 -2.47 0.00 0.00 174.74 173.26 2qbd s TYR 59 N 0.34 2.98 -0.07 3.88 1.51 -1.01 -1.51 117.35 123.47 2qbd s TYR 59 Ca 0.24 1.53 -0.13 0.00 -1.01 0.00 0.00 57.07 57.70 2qbd s TYR 59 Cb -0.11 -3.04 0.03 0.00 -0.11 0.00 0.00 41.96 38.73 2qbd s TYR 59 CO -0.09 -1.04 0.33 0.08 -1.11 0.00 0.00 175.55 173.73 2qbd s VAL 60 N -2.27 0.03 0.54 0.71 1.01 -0.78 -2.39 120.40 117.24 2qbd s VAL 60 Ca 0.65 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.50 2qbd s VAL 60 Cb -0.16 -0.54 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2qbd s VAL 60 CO 0.31 -0.12 0.74 -0.22 0.00 0.00 0.00 175.10 175.80 2qbd s LEU 61 N -0.54 3.24 0.40 3.92 1.98 0.84 -2.55 118.68 125.98 2qbd s LEU 61 Ca -0.06 -0.74 0.00 0.00 -2.89 0.00 0.00 54.13 50.43 2qbd s LEU 61 Cb -0.04 -1.89 0.00 0.00 0.66 0.00 0.00 46.19 44.93 2qbd s LEU 61 CO 0.02 -1.20 0.00 0.80 -1.89 0.00 0.00 176.35 174.08 2qbd n MET 62 N -2.15 0.00 -4.41 1.98 1.56 -0.77 -4.26 117.12 109.08 2qbd n MET 62 Ca 0.14 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.18 2qbd n MET 62 Cb 0.61 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.92 2qbd n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qbd n ASN 63 N -3.39 -1.91 -4.82 6.12 4.13 -1.16 -3.21 115.26 111.02 2qbd n ASN 63 Ca 0.00 -1.17 -0.37 0.00 1.68 0.00 0.00 54.58 54.72 2qbd n ASN 63 Cb 0.00 -1.99 -0.06 0.00 -1.54 0.00 0.00 39.78 36.19 2qbd n ASN 63 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qbd s VAL 64 N -3.41 4.67 -0.42 2.41 1.01 -0.48 -3.48 120.40 120.70 2qbd s VAL 64 Ca 0.69 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 63.74 2qbd s VAL 64 Cb -0.39 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.20 2qbd s VAL 64 CO 0.99 0.33 0.28 -0.70 0.00 0.00 0.00 175.10 176.00 2qbd s GLU 65 N -1.69 2.70 0.23 2.72 2.12 -0.84 -1.07 118.70 122.87 2qbd s GLU 65 Ca 0.38 -1.40 -0.14 0.00 0.36 0.00 0.00 54.97 54.17 2qbd s GLU 65 Cb -0.17 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2qbd s GLU 65 CO 0.20 -0.94 0.49 0.00 -0.54 0.00 0.00 175.26 174.47 2qbd s ALA 66 N 1.48 -0.47 0.22 6.30 0.00 0.33 -2.79 121.76 126.83 2qbd s ALA 66 Ca 0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2qbd s ALA 66 Cb -0.23 0.97 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 2qbd s ALA 66 CO 0.03 -0.83 1.45 -1.25 0.00 0.00 0.00 175.76 175.16 2qbd s PRO 67 N -3.97 4.27 0.51 0.00 0.04 -1.26 -1.53 135.00 133.06 2qbd s PRO 67 Ca 0.18 2.28 0.43 0.00 0.04 0.00 0.00 61.00 63.93 2qbd s PRO 67 Cb -0.01 -3.13 1.64 0.00 0.04 0.00 0.00 34.50 33.04 2qbd s PRO 67 CO 0.05 -0.45 1.56 0.00 0.04 0.00 0.00 177.00 178.20 2qbd n GLN 68 N 2.82 -0.01 0.08 4.56 10.64 -1.26 -1.76 117.38 132.44 2qbd n GLN 68 Ca 0.09 1.15 -0.16 0.00 -1.83 0.00 0.00 57.00 56.25 2qbd n GLN 68 Cb 0.40 -2.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.19 2qbd n GLN 68 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2qbd h GLU 69 N 0.00 -0.67 -0.01 2.61 4.22 -1.99 0.48 114.58 119.21 2qbd h GLU 69 Ca 0.92 0.05 -0.00 0.00 0.08 0.00 0.00 59.36 60.41 2qbd h GLU 69 Cb 3.42 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 32.82 2qbd h GLU 69 CO -0.19 -0.45 0.00 -0.39 -2.18 0.00 0.00 179.01 175.80 2qbd h VAL 70 N -0.70 1.20 -0.34 0.32 -1.51 -1.73 -1.66 116.25 111.84 2qbd h VAL 70 Ca 0.00 -0.60 0.10 0.00 -1.23 0.00 0.00 66.70 64.96 2qbd h VAL 70 Cb 0.72 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2qbd h VAL 70 CO -0.31 0.16 0.26 0.16 -1.23 0.00 0.00 177.57 176.61 2qbd h ILE 71 N -0.23 0.71 -0.11 7.19 -0.00 -1.55 0.20 117.51 123.72 2qbd h ILE 71 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 64.86 64.71 2qbd h ILE 71 Cb 0.26 0.81 0.01 0.00 -0.00 0.00 0.00 36.82 37.89 2qbd h ILE 71 CO 0.00 0.00 -0.53 -0.78 -0.00 0.00 0.00 178.15 176.84 2qbd h ASP 72 N 0.00 0.66 -0.26 2.16 3.58 -0.59 -1.68 116.42 120.29 2qbd h ASP 72 Ca 0.16 -0.63 0.04 0.00 0.42 0.00 0.00 57.03 57.01 2qbd h ASP 72 Cb 0.69 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2qbd h ASP 72 CO -0.00 1.19 0.02 -0.33 -2.88 0.00 0.00 179.24 177.24 2qbd h GLU 73 N 0.18 0.11 -0.88 0.28 5.08 0.22 -2.06 114.58 117.50 2qbd h GLU 73 Ca -0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2qbd h GLU 73 Cb 1.17 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2qbd h GLU 73 CO 0.11 0.07 0.56 1.25 -1.00 0.00 0.00 179.01 180.00 2qbd h LEU 74 N 0.11 0.89 -0.91 1.33 5.85 -0.71 -2.34 115.31 119.53 2qbd h LEU 74 Ca 0.12 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2qbd h LEU 74 Cb 0.14 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 2qbd h LEU 74 CO -0.18 0.58 0.54 -0.33 -0.34 0.00 0.00 178.44 178.71 2qbd h GLU 75 N 1.03 0.84 -0.16 1.25 5.08 -0.58 -2.49 114.58 119.55 2qbd h GLU 75 Ca 0.38 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2qbd h GLU 75 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2qbd h GLU 75 CO -0.16 0.55 0.03 1.79 -1.00 0.00 0.00 179.01 180.22 2qbd h THR 76 N 0.86 1.22 -1.00 1.13 1.35 -1.22 -3.04 112.91 112.21 2qbd h THR 76 Ca 0.45 -0.72 0.21 0.00 -0.55 0.00 0.00 66.41 65.81 2qbd h THR 76 Cb 0.46 1.39 -0.11 0.00 -1.73 0.00 0.00 68.15 68.15 2qbd h THR 76 CO -0.27 0.21 0.60 0.71 -0.25 0.00 0.00 175.52 176.52 2qbd h THR 77 N 0.05 0.63 -0.78 6.82 1.35 -1.30 0.35 112.91 120.02 2qbd h THR 77 Ca 0.05 -0.23 0.17 0.00 -0.55 0.00 0.00 66.41 65.84 2qbd h THR 77 Cb 0.31 -0.11 -0.05 0.00 -1.73 0.00 0.00 68.15 66.56 2qbd h THR 77 CO 0.00 0.12 0.52 -0.26 -0.25 0.00 0.00 175.52 175.66 2qbd h PHE 78 N 0.68 0.43 0.00 4.73 0.05 -1.39 0.89 116.94 122.33 2qbd h PHE 78 Ca 0.61 0.01 -0.18 0.00 3.82 0.00 0.00 57.97 62.23 2qbd h PHE 78 Cb 1.04 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.83 2qbd h PHE 78 CO -0.01 0.15 -0.85 0.00 -0.18 0.00 0.00 178.31 177.42 2qbd h ARG 79 N 0.35 0.00 -1.05 1.51 2.47 -0.40 -3.26 114.38 114.00 2qbd h ARG 79 Ca 0.39 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.43 2qbd h ARG 79 Cb 0.99 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.01 2qbd h ARG 79 CO -0.12 0.85 0.78 1.19 0.56 0.00 0.00 179.97 183.23 2qbd n PHE 80 N -3.42 3.19 -3.15 3.04 3.72 0.27 -4.62 117.46 116.50 2qbd n PHE 80 Ca 0.00 -2.95 -0.20 0.00 -0.05 0.00 0.00 57.45 54.25 2qbd n PHE 80 Cb 0.84 -1.37 -0.06 0.00 -0.94 0.00 0.00 39.48 37.96 2qbd n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qbd n ASN 81 N -0.88 -1.02 -0.42 4.37 2.85 -1.00 -4.98 115.26 114.19 2qbd n ASN 81 Ca 0.61 -2.67 0.33 0.00 -0.11 0.00 0.00 54.58 52.74 2qbd n ASN 81 Cb 0.65 0.06 0.53 0.00 1.24 0.00 0.00 39.78 42.26 2qbd n ASN 81 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qbd n ASP 82 N 2.24 0.07 -0.14 1.20 8.00 -1.26 0.94 116.55 127.60 2qbd n ASP 82 Ca 0.23 0.83 -0.06 0.00 0.71 0.00 0.00 54.79 56.49 2qbd n ASP 82 Cb 0.53 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2qbd n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbd h ALA 83 N 0.90 0.54 -2.73 2.24 0.00 -1.94 -3.42 119.26 114.85 2qbd h ALA 83 Ca 0.64 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 55.02 2qbd h ALA 83 Cb 2.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.99 2qbd h ALA 83 CO -0.16 -0.10 0.19 0.54 0.00 0.00 0.00 179.25 179.72 2qbd s VAL 84 N -6.15 4.36 0.00 0.00 0.11 0.27 -0.34 120.40 118.65 2qbd s VAL 84 Ca -0.13 1.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.64 2qbd s VAL 84 Cb 0.12 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 2qbd s VAL 84 CO 0.73 0.52 0.00 -0.38 -3.33 0.00 0.00 175.10 172.63 2qbd n ILE 85 N 1.63 0.00 -1.17 7.04 5.41 -0.50 -4.84 119.36 126.93 2qbd n ILE 85 Ca -0.05 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.34 2qbd n ILE 85 Cb 0.49 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.49 2qbd n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qbd n ARG 86 N 0.00 0.18 -3.60 0.38 5.12 -1.26 -4.82 116.66 112.66 2qbd n ARG 86 Ca 0.00 0.10 -0.02 0.00 -1.93 0.00 0.00 57.85 56.00 2qbd n ARG 86 Cb 0.00 -1.78 -0.05 0.00 -1.16 0.00 0.00 32.46 29.47 2qbd n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2qbd s SER 87 N -1.54 -0.90 0.20 0.55 1.04 -1.26 -2.79 113.70 109.00 2qbd s SER 87 Ca 0.63 1.30 0.10 0.00 0.48 0.00 0.00 55.95 58.47 2qbd s SER 87 Cb -0.32 1.79 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 2qbd s SER 87 CO 0.61 -0.19 -0.21 -0.32 0.98 0.00 0.00 173.24 174.10 2qbd s MET 88 N 2.26 1.45 -0.27 4.02 0.00 -0.83 -5.01 119.30 120.92 2qbd s MET 88 Ca -0.07 -1.52 -0.06 0.00 0.00 0.00 0.00 55.69 54.04 2qbd s MET 88 Cb -0.08 -1.64 0.14 0.00 0.00 0.00 0.00 34.83 33.25 2qbd s MET 88 CO -0.18 0.34 0.55 0.54 0.00 0.00 0.00 175.02 176.27 2qbd s VAL 89 N -1.96 -0.88 0.49 10.11 0.11 -1.26 -1.14 120.40 125.87 2qbd s VAL 89 Ca 0.20 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 2qbd s VAL 89 Cb -0.07 -0.91 0.08 0.00 -1.53 0.00 0.00 36.38 33.96 2qbd s VAL 89 CO 0.09 -0.00 0.66 0.23 -3.33 0.00 0.00 175.10 172.75 2qbd n MET 90 N 5.42 0.67 -1.39 1.54 2.81 -1.25 -4.88 117.12 120.04 2qbd n MET 90 Ca -0.07 -2.67 -0.08 0.00 -1.81 0.00 0.00 57.70 53.07 2qbd n MET 90 Cb 0.50 -0.17 0.04 0.00 -0.71 0.00 0.00 33.22 32.88 2qbd n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qbd n ARG 91 N -2.04 0.44 0.00 0.03 1.85 -1.26 -2.42 116.66 113.26 2qbd n ARG 91 Ca 0.13 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 2qbd n ARG 91 Cb 0.51 -0.21 0.00 0.00 -1.05 0.00 0.00 32.46 31.71 2qbd n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qbd n THR 92 N -1.83 0.00 -1.32 8.89 -1.04 0.31 -4.26 114.28 115.02 2qbd n THR 92 Ca 0.06 0.14 -0.04 0.00 -2.04 0.00 0.00 64.05 62.17 2qbd n THR 92 Cb 0.21 -0.68 -0.01 0.00 -1.82 0.00 0.00 70.33 68.03 2qbd n THR 92 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2qbd n LYS 93 N 0.00 -0.28 -1.44 -2.82 4.81 -1.26 -4.56 118.16 112.61 2qbd n LYS 93 Ca 0.00 0.54 -0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2qbd n LYS 93 Cb 0.00 -4.21 -0.00 0.00 0.02 0.00 0.00 35.03 30.83 2qbd n LYS 93 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2qbd n HIS 94 N -3.13 -1.19 -0.34 5.64 8.25 -1.26 -4.89 115.22 118.30 2qbd n HIS 94 Ca -0.04 0.71 -0.13 0.00 -0.26 0.00 0.00 57.72 57.99 2qbd n HIS 94 Cb 0.22 -2.38 -0.02 0.00 1.12 0.00 0.00 29.99 28.92 2qbd n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbd n ALA 95 N 0.45 -0.70 -2.84 -1.41 0.00 -1.26 -4.94 120.51 109.81 2qbd n ALA 95 Ca -0.02 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2qbd n ALA 95 Cb 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2qbd n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbd s VAL 96 N 0.32 4.89 -0.26 0.00 1.01 -1.26 -5.11 120.40 119.98 2qbd s VAL 96 Ca 0.20 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2qbd s VAL 96 Cb -0.29 -3.38 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2qbd s VAL 96 CO 0.14 0.11 0.60 -0.89 0.00 0.00 0.00 175.10 175.06 2qbd s THR 97 N -1.47 -0.49 0.00 3.92 2.01 -1.26 -4.43 115.64 113.92 2qbd s THR 97 Ca 0.32 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2qbd s THR 97 Cb -0.12 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2qbd s THR 97 CO 0.25 0.01 0.00 1.21 -0.69 0.00 0.00 174.62 175.40 2qbd n GLU 98 N 4.91 0.00 0.00 4.92 0.00 -1.26 -5.05 120.64 124.15 2qbd n GLU 98 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 2qbd n GLU 98 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 2qbd n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbd n ALA 99 N -0.49 0.00 -0.93 4.31 0.00 -1.26 -5.14 120.51 117.00 2qbd n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbd n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbd n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93