#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd n SER 3 N 0.00 -0.99 -2.69 0.55 7.64 -1.26 -4.89 113.62 111.97 2qbd n SER 3 Ca 0.00 1.04 -0.05 0.00 1.01 0.00 0.00 58.87 60.87 2qbd n SER 3 Cb 0.00 -1.03 0.12 0.00 -1.01 0.00 0.00 64.21 62.29 2qbd n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qbd n LEU 4 N 1.77 -1.57 0.00 -3.43 -0.00 -1.26 -5.12 117.00 107.39 2qbd n LEU 4 Ca 0.14 -3.37 0.00 0.00 -0.00 0.00 0.00 56.01 52.78 2qbd n LEU 4 Cb 0.32 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2qbd n LEU 4 CO 0.56 1.81 0.00 0.29 -0.00 0.00 0.00 177.39 180.05 2qbd n LYS 5 N -0.93 0.00 -4.08 1.96 5.02 -1.26 -4.36 118.16 114.51 2qbd n LYS 5 Ca -0.08 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 2qbd n LYS 5 Cb 0.86 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.71 2qbd n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qbd s LYS 6 N 0.00 2.98 0.00 1.97 -0.14 -1.26 -4.98 119.74 118.31 2qbd s LYS 6 Ca 0.00 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2qbd s LYS 6 Cb 0.00 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2qbd s LYS 6 CO 0.00 -0.24 0.00 0.41 -0.76 0.00 0.00 175.35 174.76 2qbd n GLY 7 N 4.63 1.46 3.68 -3.33 0.00 -1.26 -5.09 105.19 105.29 2qbd n GLY 7 Ca -0.20 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 2qbd n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbd n PRO 8 N 0.00 2.56 -4.65 1.61 -0.02 -1.26 -4.98 135.00 128.26 2qbd n PRO 8 Ca 0.00 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.09 2qbd n PRO 8 Cb 0.00 -2.79 -0.12 0.00 -0.02 0.00 0.00 33.50 30.57 2qbd n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qbd s PHE 9 N 2.61 2.78 0.19 6.00 2.19 -1.26 -5.02 117.98 125.46 2qbd s PHE 9 Ca 0.83 -0.11 -0.10 0.00 0.33 0.00 0.00 56.93 57.89 2qbd s PHE 9 Cb -0.56 -1.60 -0.01 0.00 -1.31 0.00 0.00 43.02 39.54 2qbd s PHE 9 CO 0.40 0.29 0.33 0.96 1.83 0.00 0.00 175.22 179.03 2qbd s ILE 10 N -0.88 0.04 0.11 3.12 -4.36 -1.26 -1.97 121.20 116.01 2qbd s ILE 10 Ca 0.14 -1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 58.99 2qbd s ILE 10 Cb -0.11 -1.95 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 2qbd s ILE 10 CO 0.04 -0.20 0.52 -1.81 0.24 0.00 0.00 174.94 173.74 2qbd s ASP 11 N -2.99 6.85 0.19 4.36 1.11 -1.26 -4.99 116.67 119.93 2qbd s ASP 11 Ca 0.19 1.07 -0.22 0.00 0.18 0.00 0.00 52.55 53.78 2qbd s ASP 11 Cb 0.02 -2.29 0.11 0.00 1.07 0.00 0.00 42.92 41.84 2qbd s ASP 11 CO 0.03 0.16 1.58 0.25 1.18 0.00 0.00 175.17 178.37 2qbd h LEU 12 N 3.85 -1.25 -0.09 1.23 6.46 -2.01 -2.92 115.31 120.58 2qbd h LEU 12 Ca -0.49 0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2qbd h LEU 12 Cb 1.20 0.61 -0.01 0.00 -0.73 0.00 0.00 40.66 41.73 2qbd h LEU 12 CO 0.65 -0.31 -0.05 1.41 -0.62 0.00 0.00 178.44 179.52 2qbd n HIS 13 N -5.43 -0.04 -0.27 1.25 -0.00 -1.26 -0.05 115.22 109.42 2qbd n HIS 13 Ca 0.04 0.11 -0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2qbd n HIS 13 Cb 0.36 -0.32 0.12 0.00 -0.00 0.00 0.00 29.99 30.15 2qbd n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 2qbd h LEU 14 N 0.00 0.69 0.58 2.41 8.10 -1.92 -1.95 115.31 123.22 2qbd h LEU 14 Ca 0.01 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 2qbd h LEU 14 Cb 0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.13 2qbd h LEU 14 CO -0.08 0.44 -0.43 0.25 -4.11 0.00 0.00 178.44 174.51 2qbd h LEU 15 N 0.82 -1.12 -1.09 0.17 6.46 -0.35 0.89 115.31 121.08 2qbd h LEU 15 Ca 0.34 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 58.37 2qbd h LEU 15 Cb 0.18 0.35 -0.10 0.00 -0.73 0.00 0.00 40.66 40.36 2qbd h LEU 15 CO -0.18 -0.62 0.61 0.11 -0.62 0.00 0.00 178.44 177.75 2qbd h LYS 16 N -0.96 0.67 0.09 1.25 1.57 -0.89 0.19 116.57 118.48 2qbd h LYS 16 Ca -0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2qbd h LYS 16 Cb 0.80 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2qbd h LYS 16 CO 0.03 0.44 -0.04 0.87 -0.57 0.00 0.00 179.45 180.18 2qbd h LYS 17 N 0.69 -0.12 -0.66 3.15 1.79 -0.89 -3.09 116.57 117.44 2qbd h LYS 17 Ca 0.57 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.03 2qbd h LYS 17 Cb 1.00 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2qbd h LYS 17 CO -0.36 0.39 0.34 -0.24 -1.08 0.00 0.00 179.45 178.50 2qbd h VAL 18 N -0.89 1.22 -0.40 0.50 3.04 0.11 -1.17 116.25 118.65 2qbd h VAL 18 Ca -0.01 -0.57 0.06 0.00 -1.01 0.00 0.00 66.70 65.16 2qbd h VAL 18 Cb 0.56 0.39 -0.05 0.00 -2.01 0.00 0.00 31.29 30.18 2qbd h VAL 18 CO 0.02 0.24 0.11 -0.08 -1.01 0.00 0.00 177.57 176.85 2qbd h GLU 19 N 0.90 0.24 -0.37 4.17 4.57 -0.77 0.66 114.58 124.00 2qbd h GLU 19 Ca 0.23 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 2qbd h GLU 19 Cb 0.08 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2qbd h GLU 19 CO -0.03 0.16 0.02 -0.22 -1.18 0.00 0.00 179.01 177.75 2qbd h LYS 20 N 0.25 0.58 0.18 1.92 3.11 -1.41 -2.85 116.57 118.34 2qbd h LYS 20 Ca 0.19 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 2qbd h LYS 20 Cb 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2qbd h LYS 20 CO -0.22 0.59 -0.08 0.00 -2.81 0.00 0.00 179.45 176.92 2qbd h ALA 21 N 1.47 -0.24 -0.90 5.00 0.00 0.24 0.12 119.26 124.95 2qbd h ALA 21 Ca 0.12 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.08 2qbd h ALA 21 Cb 0.33 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.05 2qbd h ALA 21 CO 0.01 -0.48 -0.04 0.28 0.00 0.00 0.00 179.25 179.02 2qbd h VAL 22 N -0.55 0.13 0.05 0.00 2.07 0.47 0.76 116.25 119.18 2qbd h VAL 22 Ca -0.02 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2qbd h VAL 22 Cb 0.42 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2qbd h VAL 22 CO 0.04 0.01 -0.40 1.05 0.02 0.00 0.00 177.57 178.29 2qbd h GLU 23 N 0.04 0.19 0.00 1.57 -0.00 -1.47 -3.20 114.58 111.71 2qbd h GLU 23 Ca 0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 2qbd h GLU 23 Cb 0.94 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 2qbd h GLU 23 CO -0.85 1.06 0.00 -1.13 -0.00 0.00 0.00 179.01 178.09 2qbd n SER 24 N -4.38 0.00 -0.19 3.06 3.41 0.41 -4.96 113.62 110.96 2qbd n SER 24 Ca -0.11 -1.16 0.02 0.00 -0.26 0.00 0.00 58.87 57.35 2qbd n SER 24 Cb 0.62 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2qbd n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbd n GLY 25 N 0.18 -2.09 3.84 5.00 0.00 0.25 -4.91 105.19 107.46 2qbd n GLY 25 Ca 0.03 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2qbd n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbd s ASP 26 N -3.32 4.63 0.00 1.61 1.11 -1.26 -4.34 116.67 115.11 2qbd s ASP 26 Ca 0.00 1.10 0.00 0.00 0.18 0.00 0.00 52.55 53.83 2qbd s ASP 26 Cb 0.00 -1.79 0.00 0.00 1.07 0.00 0.00 42.92 42.20 2qbd s ASP 26 CO 0.00 -1.86 0.00 2.29 1.18 0.00 0.00 175.17 176.78 2qbd n LYS 27 N -3.33 0.00 -0.65 8.23 2.85 -1.26 -5.12 118.16 118.88 2qbd n LYS 27 Ca 0.07 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.02 2qbd n LYS 27 Cb 0.58 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 35.14 2qbd n LYS 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2qbd n LYS 28 N 0.00 -1.25 0.00 -1.58 0.00 -1.26 -4.63 118.16 109.44 2qbd n LYS 28 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 2qbd n LYS 28 Cb 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 35.03 32.99 2qbd n LYS 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2qbd n PRO 29 N -3.36 -1.14 -3.95 -1.58 -0.04 -1.25 -4.59 135.00 119.08 2qbd n PRO 29 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 2qbd n PRO 29 Cb 0.55 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.85 2qbd n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qbd s LEU 30 N 0.00 1.86 -0.66 1.53 1.43 0.55 -4.81 118.68 118.58 2qbd s LEU 30 Ca 0.00 -0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2qbd s LEU 30 Cb 0.00 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.21 2qbd s LEU 30 CO 0.00 -0.15 1.03 -0.13 0.23 0.00 0.00 176.35 177.33 2qbd s ARG 31 N 1.52 3.16 0.02 1.70 3.00 -1.26 -0.05 118.95 127.04 2qbd s ARG 31 Ca 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 55.73 55.05 2qbd s ARG 31 Cb -0.15 -4.20 -0.00 0.00 0.00 0.00 0.00 34.95 30.60 2qbd s ARG 31 CO -0.08 -1.85 0.11 0.95 0.00 0.00 0.00 175.30 174.42 2qbd s THR 32 N 4.42 0.10 -0.46 0.02 -4.23 -1.23 -5.02 115.64 109.24 2qbd s THR 32 Ca 0.26 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 2qbd s THR 32 Cb -0.14 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 2qbd s THR 32 CO 0.12 -0.46 0.40 0.79 -0.54 0.00 0.00 174.62 174.94 2qbd n TRP 33 N 1.26 0.00 -0.56 3.99 8.01 -1.26 -2.91 117.44 125.97 2qbd n TRP 33 Ca -0.22 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.91 2qbd n TRP 33 Cb 0.56 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.78 2qbd n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qbd n SER 34 N -0.67 3.35 0.18 -0.99 3.41 -1.26 -4.45 113.62 113.19 2qbd n SER 34 Ca 0.02 -2.07 0.18 0.00 -0.26 0.00 0.00 58.87 56.74 2qbd n SER 34 Cb 0.12 -0.86 0.81 0.00 -0.26 0.00 0.00 64.21 64.02 2qbd n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbd h ARG 35 N 3.60 0.00 0.00 4.33 0.11 -1.91 0.19 114.38 120.71 2qbd h ARG 35 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2qbd h ARG 35 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2qbd h ARG 35 CO 0.25 0.00 0.00 2.89 0.10 0.00 0.00 179.97 183.21 2qbd n ARG 36 N -3.69 0.64 -3.11 0.08 1.85 -1.26 -0.10 116.66 111.07 2qbd n ARG 36 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.56 2qbd n ARG 36 Cb 0.42 -1.40 -0.05 0.00 -1.05 0.00 0.00 32.46 30.38 2qbd n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qbd s SER 37 N -1.87 6.71 0.50 2.89 0.01 0.67 -4.89 113.70 117.72 2qbd s SER 37 Ca 0.24 1.22 -0.14 0.00 1.31 0.00 0.00 55.95 58.58 2qbd s SER 37 Cb 0.11 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 2qbd s SER 37 CO 0.19 -0.23 0.92 -0.89 0.41 0.00 0.00 173.24 173.64 2qbd s THR 38 N -2.05 4.64 -0.19 1.44 2.01 -0.83 -2.09 115.64 118.58 2qbd s THR 38 Ca 0.53 0.96 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 2qbd s THR 38 Cb -0.10 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2qbd s THR 38 CO 0.20 -0.71 0.44 -0.63 -0.69 0.00 0.00 174.62 173.24 2qbd s ILE 39 N -2.63 5.17 0.29 1.82 1.01 -0.13 -4.84 121.20 121.89 2qbd s ILE 39 Ca 0.56 0.82 0.07 0.00 0.00 0.00 0.00 60.65 62.10 2qbd s ILE 39 Cb -0.10 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2qbd s ILE 39 CO 0.35 0.25 0.25 -0.36 0.00 0.00 0.00 174.94 175.42 2qbd s PHE 40 N 1.26 3.02 0.42 3.97 0.40 -1.26 -3.83 117.98 121.96 2qbd s PHE 40 Ca 0.22 -0.20 0.36 0.00 -0.60 0.00 0.00 56.93 56.70 2qbd s PHE 40 Cb -0.15 -1.60 1.79 0.00 0.51 0.00 0.00 43.02 43.57 2qbd s PHE 40 CO 0.09 0.35 2.16 -1.00 0.70 0.00 0.00 175.22 177.52 2qbd h PRO 41 N 1.36 0.00 0.00 0.24 0.13 -1.95 -2.07 132.00 129.72 2qbd h PRO 41 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2qbd h PRO 41 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2qbd h PRO 41 CO 0.59 0.04 -0.21 -2.95 -0.23 0.00 0.00 178.00 175.25 2qbd h ASN 42 N 0.00 0.00 0.88 1.44 -0.00 -2.00 -2.14 115.58 113.75 2qbd h ASN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2qbd h ASN 42 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 2qbd h ASN 42 CO 0.01 0.21 -0.17 0.23 -0.00 0.00 0.00 177.43 177.70 2qbd n MET 43 N -3.36 0.03 -1.60 4.14 2.81 -0.78 -4.78 117.12 113.57 2qbd n MET 43 Ca 0.00 0.02 -0.51 0.00 -1.81 0.00 0.00 57.70 55.40 2qbd n MET 43 Cb 0.42 -1.52 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 2qbd n MET 43 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2qbd n ILE 44 N -1.57 0.17 -1.60 2.02 0.13 -0.81 -0.59 119.36 117.11 2qbd n ILE 44 Ca 0.06 -0.04 -0.16 0.00 -1.10 0.00 0.00 62.75 61.52 2qbd n ILE 44 Cb 0.35 -0.91 -0.06 0.00 -0.84 0.00 0.00 39.64 38.18 2qbd n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qbd n GLY 45 N 2.52 1.25 3.95 4.50 0.00 0.23 -4.90 105.19 112.74 2qbd n GLY 45 Ca 0.18 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2qbd n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbd s LEU 46 N -3.72 4.14 -0.55 0.99 2.01 0.24 -4.93 118.68 116.86 2qbd s LEU 46 Ca 0.00 0.30 -0.19 0.00 0.01 0.00 0.00 54.13 54.25 2qbd s LEU 46 Cb 0.00 -3.13 0.07 0.00 0.01 0.00 0.00 46.19 43.14 2qbd s LEU 46 CO 0.00 -0.20 0.68 -0.89 1.01 0.00 0.00 176.35 176.95 2qbd s THR 47 N -2.18 4.80 -0.03 5.49 2.01 -1.26 -4.24 115.64 120.23 2qbd s THR 47 Ca 0.38 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2qbd s THR 47 Cb -0.09 -4.39 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 2qbd s THR 47 CO 0.33 -0.96 -0.22 -0.63 -0.69 0.00 0.00 174.62 172.45 2qbd s ILE 48 N 2.78 2.41 -0.59 1.82 1.01 -1.20 -0.33 121.20 127.11 2qbd s ILE 48 Ca 0.15 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2qbd s ILE 48 Cb -0.20 -1.88 0.15 0.00 0.01 0.00 0.00 42.46 40.53 2qbd s ILE 48 CO 0.10 0.58 0.35 0.00 0.00 0.00 0.00 174.94 175.97 2qbd s ALA 49 N -0.61 3.46 -0.24 9.38 0.00 0.93 -1.14 121.76 133.54 2qbd s ALA 49 Ca 0.09 -3.47 -0.29 0.00 0.00 0.00 0.00 51.96 48.29 2qbd s ALA 49 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2qbd s ALA 49 CO -0.00 -2.05 1.15 0.08 0.00 0.00 0.00 175.76 174.94 2qbd s VAL 50 N -0.72 4.45 0.46 0.00 1.01 0.13 -3.56 120.40 122.17 2qbd s VAL 50 Ca 0.20 1.72 -0.21 0.00 0.00 0.00 0.00 61.98 63.69 2qbd s VAL 50 Cb -0.18 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 2qbd s VAL 50 CO -0.06 -0.28 1.03 -2.28 0.00 0.00 0.00 175.10 173.51 2qbd s HIS 51 N 3.56 3.07 -0.06 5.22 5.65 -1.15 0.86 115.29 132.45 2qbd s HIS 51 Ca 0.49 1.59 -0.03 0.00 0.25 0.00 0.00 55.06 57.37 2qbd s HIS 51 Cb -0.16 -3.06 -0.02 0.00 -1.18 0.00 0.00 32.58 28.15 2qbd s HIS 51 CO 0.13 -0.74 -0.07 0.27 -0.65 0.00 0.00 174.74 173.68 2qbd n ASN 52 N -0.76 0.51 0.00 9.88 6.94 -0.76 -4.89 115.26 126.17 2qbd n ASN 52 Ca 0.08 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 2qbd n ASN 52 Cb 0.52 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2qbd n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbd n GLY 53 N 2.67 0.00 0.42 4.83 0.00 -1.26 -4.94 105.19 106.92 2qbd n GLY 53 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2qbd n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbd n ARG 54 N -0.14 0.39 -3.63 1.61 1.74 -1.26 -5.10 116.66 110.27 2qbd n ARG 54 Ca 0.00 0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 57.15 2qbd n ARG 54 Cb 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2qbd n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qbd n GLN 55 N -3.86 0.87 -2.17 5.56 1.13 -1.26 -5.16 117.38 112.50 2qbd n GLN 55 Ca -0.35 -2.26 -0.29 0.00 -1.94 0.00 0.00 57.00 52.16 2qbd n GLN 55 Cb 0.74 2.51 0.02 0.00 0.11 0.00 0.00 30.24 33.62 2qbd n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qbd s HIS 56 N -2.92 3.47 -0.01 1.08 3.76 -1.26 -1.83 115.29 117.58 2qbd s HIS 56 Ca 0.20 0.99 0.04 0.00 -0.15 0.00 0.00 55.06 56.13 2qbd s HIS 56 Cb -0.03 -2.70 -0.01 0.00 1.11 0.00 0.00 32.58 30.95 2qbd s HIS 56 CO 0.14 -0.73 -0.12 0.14 -0.85 0.00 0.00 174.74 173.33 2qbd s VAL 57 N -3.08 0.94 0.48 -0.90 -7.23 0.25 -4.81 120.40 106.05 2qbd s VAL 57 Ca 0.54 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.97 2qbd s VAL 57 Cb -0.11 -0.79 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 2qbd s VAL 57 CO 0.49 0.26 1.15 -2.16 -0.31 0.00 0.00 175.10 174.54 2qbd s PRO 58 N -0.29 3.69 0.02 4.82 0.04 -1.26 0.18 135.00 142.21 2qbd s PRO 58 Ca 0.05 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 2qbd s PRO 58 Cb -0.05 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.21 2qbd s PRO 58 CO -0.00 -0.59 0.43 0.14 0.04 0.00 0.00 177.00 177.01 2qbd s VAL 59 N -1.61 0.05 -0.28 -0.36 -7.23 -0.29 -4.89 120.40 105.79 2qbd s VAL 59 Ca 0.65 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 2qbd s VAL 59 Cb -0.27 -0.87 0.08 0.00 0.56 0.00 0.00 36.38 35.88 2qbd s VAL 59 CO 0.32 -0.21 0.03 0.12 -0.31 0.00 0.00 175.10 175.05 2qbd s PHE 60 N -1.99 2.23 -0.25 2.82 2.19 -1.26 -3.24 117.98 118.48 2qbd s PHE 60 Ca -0.08 -1.86 -0.31 0.00 0.33 0.00 0.00 56.93 55.00 2qbd s PHE 60 Cb -0.02 -1.80 -0.08 0.00 -1.31 0.00 0.00 43.02 39.81 2qbd s PHE 60 CO 0.01 -0.82 2.18 0.28 1.83 0.00 0.00 175.22 178.70 2qbd n VAL 61 N 4.71 0.32 -4.08 3.12 0.31 -1.26 -4.79 118.33 116.65 2qbd n VAL 61 Ca -0.05 -0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 63.70 2qbd n VAL 61 Cb 0.43 -2.18 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 2qbd n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbd s THR 62 N 7.54 3.98 0.00 2.52 2.01 -1.25 -0.60 115.64 129.83 2qbd s THR 62 Ca 1.03 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2qbd s THR 62 Cb -0.55 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2qbd s THR 62 CO 0.42 -0.31 0.75 -0.67 -0.69 0.00 0.00 174.62 174.12 2qbd n ASP 63 N -1.17 0.00 0.00 3.53 4.64 -1.26 0.91 116.55 123.20 2qbd n ASP 63 Ca -0.06 0.75 0.00 0.00 -1.38 0.00 0.00 54.79 54.10 2qbd n ASP 63 Cb 0.59 -0.25 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 2qbd n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 2qbd n GLU 64 N -1.94 0.00 -3.70 -0.67 -0.00 -1.26 -3.57 120.64 109.50 2qbd n GLU 64 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.84 2qbd n GLU 64 Cb 0.00 -1.34 -0.09 0.00 -0.00 0.00 0.00 31.44 30.01 2qbd n GLU 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2qbd n MET 65 N -0.76 2.35 0.12 3.44 0.00 0.26 -4.79 117.12 117.73 2qbd n MET 65 Ca 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 57.70 53.18 2qbd n MET 65 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 30.88 2qbd n MET 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2qbd n VAL 66 N 1.92 0.00 0.00 1.12 0.24 -1.23 -3.88 118.33 116.50 2qbd n VAL 66 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 2qbd n VAL 66 Cb 0.36 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2qbd n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbd n GLY 67 N 0.85 0.00 0.00 7.63 0.00 -1.25 -1.26 105.19 111.15 2qbd n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbd n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qbd n HIS 68 N -0.43 -2.28 -5.20 1.61 -0.00 -1.26 -4.87 115.22 102.79 2qbd n HIS 68 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2qbd n HIS 68 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 2qbd n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2qbd s LYS 69 N -1.69 2.05 0.38 -0.41 -0.14 -1.26 -0.95 119.74 117.72 2qbd s LYS 69 Ca 0.00 -0.86 0.17 0.00 -1.36 0.00 0.00 55.97 53.92 2qbd s LYS 69 Cb 0.00 -1.92 1.06 0.00 -1.68 0.00 0.00 37.83 35.29 2qbd s LYS 69 CO 0.00 0.48 1.76 -0.07 -0.76 0.00 0.00 175.35 176.76 2qbd h LEU 70 N 5.66 0.49 -1.36 3.17 4.07 -0.83 -1.44 115.31 125.07 2qbd h LEU 70 Ca -0.40 0.09 0.13 0.00 0.08 0.00 0.00 57.88 57.79 2qbd h LEU 70 Cb 1.14 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.83 2qbd h LEU 70 CO 0.47 0.09 0.55 1.23 -1.08 0.00 0.00 178.44 179.70 2qbd h GLY 71 N 0.43 1.07 0.77 0.83 0.00 -0.78 -1.16 103.07 104.23 2qbd h GLY 71 Ca 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2qbd h GLY 71 CO -0.33 0.11 0.00 -1.84 0.00 0.00 0.00 176.54 174.47 2qbd n GLU 72 N -4.53 0.65 -0.43 4.80 0.28 -0.54 -2.19 120.64 118.68 2qbd n GLU 72 Ca 0.16 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.24 2qbd n GLU 72 Cb 0.44 -1.38 0.25 0.00 1.43 0.00 0.00 31.44 32.18 2qbd n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qbd n PHE 73 N -0.88 0.92 -3.46 -1.84 3.01 -0.44 -4.86 117.46 109.91 2qbd n PHE 73 Ca 0.12 -0.85 -0.20 0.00 1.01 0.00 0.00 57.45 57.52 2qbd n PHE 73 Cb 0.05 -0.30 -0.12 0.00 -0.01 0.00 0.00 39.48 39.11 2qbd n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbd s ALA 74 N -2.71 -0.16 0.02 4.37 0.00 -0.93 -5.01 121.76 117.33 2qbd s ALA 74 Ca 0.41 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.75 2qbd s ALA 74 Cb 0.33 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 2qbd s ALA 74 CO 0.09 -1.55 1.97 -0.35 0.00 0.00 0.00 175.76 175.92 2qbd n PRO 75 N 5.30 2.78 -0.03 0.00 -0.04 -1.26 -4.89 135.00 136.87 2qbd n PRO 75 Ca -0.04 1.02 -0.15 0.00 -0.04 0.00 0.00 63.50 64.30 2qbd n PRO 75 Cb 0.46 -2.96 -0.11 0.00 -0.04 0.00 0.00 33.50 30.85 2qbd n PRO 75 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qbd h THR 76 N 5.61 1.50 -2.99 0.52 1.35 -1.92 -3.45 112.91 113.53 2qbd h THR 76 Ca -0.50 -1.77 -0.62 0.00 -0.55 0.00 0.00 66.41 62.97 2qbd h THR 76 Cb 1.24 2.58 -0.08 0.00 -1.73 0.00 0.00 68.15 70.16 2qbd h THR 76 CO 0.94 0.49 -0.38 0.00 -0.25 0.00 0.00 175.52 176.32 2qbd s ARG 77 N -3.41 3.87 -0.18 4.72 1.70 -1.26 -4.84 118.95 119.56 2qbd s ARG 77 Ca -0.16 0.03 -0.22 0.00 -0.47 0.00 0.00 55.73 54.92 2qbd s ARG 77 Cb 0.02 -3.29 -0.02 0.00 -0.57 0.00 0.00 34.95 31.08 2qbd s ARG 77 CO 0.74 0.54 0.67 0.99 -1.08 0.00 0.00 175.30 177.15 2qbd s THR 78 N -0.43 5.00 -0.11 4.99 2.01 -1.26 -5.05 115.64 120.80 2qbd s THR 78 Ca 0.16 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.45 2qbd s THR 78 Cb -0.13 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2qbd s THR 78 CO 0.05 0.12 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.51 2qbd s TYR 79 N 1.81 1.75 0.00 4.92 5.04 -1.26 -5.29 117.35 124.32 2qbd s TYR 79 Ca 0.31 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2qbd s TYR 79 Cb -0.16 -1.33 0.00 0.00 0.35 0.00 0.00 41.96 40.82 2qbd s TYR 79 CO 0.11 -0.50 0.00 0.54 -1.34 0.00 0.00 175.55 174.37