#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s ILE 4 N 0.00 -0.32 -0.11 3.15 -5.25 -1.26 -5.12 121.20 112.29 2qbj s ILE 4 Ca 0.00 0.18 -0.31 0.00 -0.99 0.00 0.00 60.65 59.54 2qbj s ILE 4 Cb 0.00 -0.53 -0.08 0.00 2.95 0.00 0.00 42.46 44.80 2qbj s ILE 4 CO 0.00 0.08 2.06 0.54 -1.79 0.00 0.00 174.94 175.83 2qbj n ARG 5 N 4.91 2.27 -4.08 0.37 5.12 -1.26 -4.96 116.66 119.03 2qbj n ARG 5 Ca -0.14 0.76 -0.10 0.00 -1.93 0.00 0.00 57.85 56.44 2qbj n ARG 5 Cb 0.51 -2.97 -0.09 0.00 -1.16 0.00 0.00 32.46 28.75 2qbj n ARG 5 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2qbj s THR 6 N 5.97 0.08 -0.09 0.55 -4.23 -1.26 -4.44 115.64 112.23 2qbj s THR 6 Ca 0.96 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 2qbj s THR 6 Cb -0.49 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.38 2qbj s THR 6 CO 0.42 -0.37 0.29 -0.76 -0.54 0.00 0.00 174.62 173.65 2qbj s LEU 7 N -3.03 0.92 -0.11 4.79 1.43 -0.28 -4.98 118.68 117.43 2qbj s LEU 7 Ca 0.22 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 2qbj s LEU 7 Cb 0.06 1.02 -0.03 0.00 0.03 0.00 0.00 46.19 47.27 2qbj s LEU 7 CO 0.02 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.43 2qbj s GLN 8 N -0.15 3.24 0.08 1.70 -2.07 -1.26 0.47 119.66 121.67 2qbj s GLN 8 Ca -0.03 -0.42 -0.14 0.00 -1.82 0.00 0.00 55.36 52.95 2qbj s GLN 8 Cb -0.03 -2.87 0.02 0.00 -1.09 0.00 0.00 33.01 29.05 2qbj s GLN 8 CO 0.01 0.56 0.32 0.20 -1.32 0.00 0.00 175.29 175.06 2qbj s GLY 9 N -0.49 -0.14 0.40 2.60 0.00 0.84 -4.88 107.32 105.66 2qbj s GLY 9 Ca 0.09 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 2qbj s GLY 9 CO 0.02 -0.34 1.10 1.09 0.00 0.00 0.00 173.10 174.96 2qbj s ARG 10 N -3.23 4.09 -1.20 2.90 1.70 -1.14 -2.23 118.95 119.83 2qbj s ARG 10 Ca -0.00 1.63 -0.17 0.00 -0.47 0.00 0.00 55.73 56.72 2qbj s ARG 10 Cb 0.01 -2.57 0.11 0.00 -0.57 0.00 0.00 34.95 31.93 2qbj s ARG 10 CO -0.08 -0.23 1.55 0.08 -1.08 0.00 0.00 175.30 175.54 2qbj s VAL 11 N -1.57 4.48 0.60 4.99 1.01 -0.06 -1.05 120.40 128.79 2qbj s VAL 11 Ca 0.58 -2.02 0.37 0.00 0.00 0.00 0.00 61.98 60.91 2qbj s VAL 11 Cb -0.25 -5.05 0.40 0.00 0.00 0.00 0.00 36.38 31.48 2qbj s VAL 11 CO 0.32 -1.83 2.29 1.62 0.00 0.00 0.00 175.10 177.50 2qbj h VAL 12 N 5.40 0.26 -2.80 2.92 3.04 -1.85 -1.80 116.25 121.42 2qbj h VAL 12 Ca 0.35 -0.06 -0.12 0.00 -1.01 0.00 0.00 66.70 65.87 2qbj h VAL 12 Cb 0.90 1.04 -0.22 0.00 -2.01 0.00 0.00 31.29 31.00 2qbj h VAL 12 CO 1.35 0.01 -0.22 -0.55 -1.01 0.00 0.00 177.57 177.15 2qbj s SER 13 N -5.66 -0.35 -0.46 3.17 0.15 -1.11 -4.93 113.70 104.52 2qbj s SER 13 Ca -0.05 0.52 0.07 0.00 0.70 0.00 0.00 55.95 57.20 2qbj s SER 13 Cb 0.14 0.60 0.18 0.00 -1.71 0.00 0.00 66.02 65.23 2qbj s SER 13 CO 0.48 -0.30 0.66 -0.62 1.20 0.00 0.00 173.24 174.66 2qbj s ASP 14 N -0.51 -1.30 0.00 5.45 3.68 -1.26 -1.85 116.67 120.87 2qbj s ASP 14 Ca -0.06 -1.31 0.00 0.00 2.13 0.00 0.00 52.55 53.30 2qbj s ASP 14 Cb -0.04 1.81 0.00 0.00 -1.45 0.00 0.00 42.92 43.25 2qbj s ASP 14 CO 0.03 -0.12 0.00 0.29 0.13 0.00 0.00 175.17 175.50 2qbj n LYS 15 N 3.70 0.00 -3.79 4.34 5.02 -1.26 -4.84 118.16 121.33 2qbj n LYS 15 Ca 0.15 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 2qbj n LYS 15 Cb 0.56 -0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 35.11 2qbj n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qbj s MET 16 N 0.00 3.46 -0.59 1.97 -1.94 -1.23 -5.02 119.30 115.94 2qbj s MET 16 Ca 0.00 -0.59 -0.27 0.00 -1.71 0.00 0.00 55.69 53.12 2qbj s MET 16 Cb 0.00 -2.84 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 2qbj s MET 16 CO 0.00 0.37 1.70 -1.21 -0.01 0.00 0.00 175.02 175.86 2qbj s GLU 17 N -3.91 2.89 0.00 2.03 2.02 -1.26 -3.46 118.70 117.01 2qbj s GLU 17 Ca 0.36 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2qbj s GLU 17 Cb -0.10 -4.30 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2qbj s GLU 17 CO 0.31 -2.43 0.00 1.63 0.02 0.00 0.00 175.26 174.78 2qbj n LYS 18 N 9.05 0.00 -2.71 1.61 5.02 -1.26 -4.93 118.16 124.94 2qbj n LYS 18 Ca 0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 2qbj n LYS 18 Cb 0.51 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 2qbj n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbj s SER 19 N -0.58 6.80 -0.04 4.39 0.01 -1.22 0.20 113.70 123.25 2qbj s SER 19 Ca 0.00 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.10 2qbj s SER 19 Cb 0.00 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2qbj s SER 19 CO 0.00 -0.90 -0.11 -0.63 0.41 0.00 0.00 173.24 172.01 2qbj s ILE 20 N 3.64 3.34 -0.12 1.44 1.09 -0.30 -3.54 121.20 126.75 2qbj s ILE 20 Ca 0.42 -0.70 -0.03 0.00 -1.10 0.00 0.00 60.65 59.24 2qbj s ILE 20 Cb -0.12 -2.36 -0.03 0.00 -1.06 0.00 0.00 42.46 38.89 2qbj s ILE 20 CO 0.18 0.53 0.01 -0.69 -0.10 0.00 0.00 174.94 174.87 2qbj s VAL 21 N -0.82 4.36 0.22 2.92 1.01 -0.77 0.11 120.40 127.43 2qbj s VAL 21 Ca 0.13 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2qbj s VAL 21 Cb -0.11 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2qbj s VAL 21 CO 0.03 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.87 2qbj s VAL 22 N -0.41 1.71 -0.17 2.92 1.01 0.09 -2.73 120.40 122.83 2qbj s VAL 22 Ca 0.08 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.87 2qbj s VAL 22 Cb -0.12 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.15 2qbj s VAL 22 CO 0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 175.10 174.52 2qbj s ALA 23 N -2.98 1.68 -0.22 5.51 0.00 -0.21 -1.09 121.76 124.45 2qbj s ALA 23 Ca 0.24 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 2qbj s ALA 23 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2qbj s ALA 23 CO 0.08 -0.72 0.01 0.42 0.00 0.00 0.00 175.76 175.55 2qbj s ILE 24 N 1.54 3.98 0.48 0.00 1.09 -0.67 -2.89 121.20 124.74 2qbj s ILE 24 Ca 0.01 -0.29 -0.03 0.00 -1.10 0.00 0.00 60.65 59.23 2qbj s ILE 24 Cb -0.15 -2.82 -0.01 0.00 -1.06 0.00 0.00 42.46 38.41 2qbj s ILE 24 CO -0.08 0.40 0.75 -1.61 -0.10 0.00 0.00 174.94 174.30 2qbj s GLU 25 N 1.22 3.24 -0.29 2.79 2.02 -1.26 -0.36 118.70 126.06 2qbj s GLU 25 Ca 0.04 -0.13 -0.19 0.00 0.02 0.00 0.00 54.97 54.71 2qbj s GLU 25 Cb -0.15 -2.44 0.14 0.00 0.10 0.00 0.00 34.13 31.78 2qbj s GLU 25 CO 0.02 -0.30 1.02 -0.98 0.02 0.00 0.00 175.26 175.04 2qbj s ARG 26 N -4.69 0.38 0.86 1.61 1.70 0.28 -4.93 118.95 114.17 2qbj s ARG 26 Ca 0.48 0.60 -0.12 0.00 -0.47 0.00 0.00 55.73 56.22 2qbj s ARG 26 Cb -0.10 0.11 0.11 0.00 -0.57 0.00 0.00 34.95 34.50 2qbj s ARG 26 CO 0.42 -0.07 1.16 -0.06 -1.08 0.00 0.00 175.30 175.66 2qbj s PHE 27 N 1.01 2.73 -0.30 5.89 0.08 -1.26 0.71 117.98 126.84 2qbj s PHE 27 Ca -0.05 0.81 -0.16 0.00 0.12 0.00 0.00 56.93 57.65 2qbj s PHE 27 Cb -0.04 -3.43 0.18 0.00 -0.57 0.00 0.00 43.02 39.16 2qbj s PHE 27 CO -0.13 -2.08 1.11 0.54 -0.10 0.00 0.00 175.22 174.56 2qbj s VAL 28 N -3.41 -0.12 0.12 -0.44 0.11 -1.18 -4.81 120.40 110.67 2qbj s VAL 28 Ca 0.63 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.37 2qbj s VAL 28 Cb -0.13 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.64 2qbj s VAL 28 CO 0.51 0.00 1.36 -0.75 -3.33 0.00 0.00 175.10 172.90 2qbj s LYS 29 N 1.63 4.34 0.02 1.54 2.20 -1.26 -2.38 119.74 125.82 2qbj s LYS 29 Ca -0.06 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.30 2qbj s LYS 29 Cb -0.03 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2qbj s LYS 29 CO -0.14 -0.40 1.52 -1.58 -0.36 0.00 0.00 175.35 174.39 2qbj s HIS 30 N 0.95 2.59 0.00 4.03 5.65 -0.26 -4.84 115.29 123.41 2qbj s HIS 30 Ca 0.63 0.56 -0.00 0.00 0.25 0.00 0.00 55.06 56.50 2qbj s HIS 30 Cb -0.36 -3.81 -0.00 0.00 -1.18 0.00 0.00 32.58 27.23 2qbj s HIS 30 CO 0.31 -3.14 0.17 -0.35 -0.65 0.00 0.00 174.74 171.08 2qbj n PRO 31 N 5.65 0.08 0.00 2.88 -0.04 -1.26 -1.73 135.00 140.58 2qbj n PRO 31 Ca 0.15 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2qbj n PRO 31 Cb 0.42 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2qbj n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qbj n ILE 32 N 1.98 0.00 -0.03 0.52 3.06 -1.26 -4.99 119.36 118.64 2qbj n ILE 32 Ca 0.00 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.28 2qbj n ILE 32 Cb 0.04 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.10 2qbj n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2qbj n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -1.02 -5.02 117.16 121.17 2qbj n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qbj n TYR 33 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 39.34 37.84 2qbj n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbj n GLY 34 N 1.78 2.21 2.85 2.72 0.00 -0.70 -4.90 105.19 109.14 2qbj n GLY 34 Ca -0.09 -0.38 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 2qbj n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbj n LYS 35 N 0.00 0.00 -2.36 1.61 3.00 -1.26 -3.17 118.16 115.98 2qbj n LYS 35 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2qbj n LYS 35 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 33.85 2qbj n LYS 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbj n PHE 36 N 1.96 2.99 -1.91 5.64 3.01 -1.26 -1.10 117.46 126.80 2qbj n PHE 36 Ca 0.19 -2.80 -0.42 0.00 1.01 0.00 0.00 57.45 55.43 2qbj n PHE 36 Cb 0.02 -1.95 -0.03 0.00 -0.01 0.00 0.00 39.48 37.51 2qbj n PHE 36 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2qbj s ILE 37 N 0.38 2.72 0.13 4.37 1.01 -1.00 -4.29 121.20 124.51 2qbj s ILE 37 Ca 0.40 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.16 2qbj s ILE 37 Cb 0.09 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.22 2qbj s ILE 37 CO 0.01 0.02 1.20 -0.75 0.00 0.00 0.00 174.94 175.41 2qbj s LYS 38 N 1.70 4.47 0.29 2.79 2.36 -1.26 -3.11 119.74 126.98 2qbj s LYS 38 Ca 0.72 1.82 0.11 0.00 -2.55 0.00 0.00 55.97 56.07 2qbj s LYS 38 Cb -0.43 -3.29 -0.05 0.00 -1.05 0.00 0.00 37.83 33.01 2qbj s LYS 38 CO 0.32 -0.16 -0.15 0.50 1.55 0.00 0.00 175.35 177.41 2qbj s ARG 39 N 0.37 1.81 0.10 4.03 6.06 0.22 -4.90 118.95 126.63 2qbj s ARG 39 Ca 0.56 -1.74 0.05 0.00 -2.50 0.00 0.00 55.73 52.10 2qbj s ARG 39 Cb -0.31 -1.83 -0.03 0.00 0.06 0.00 0.00 34.95 32.84 2qbj s ARG 39 CO 0.33 0.30 -0.13 0.99 -2.50 0.00 0.00 175.30 174.29 2qbj s THR 40 N -2.50 1.14 -0.05 4.11 2.01 -1.26 1.00 115.64 120.09 2qbj s THR 40 Ca 0.31 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 2qbj s THR 40 Cb -0.04 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.18 2qbj s THR 40 CO 0.16 -0.40 0.08 -0.89 -0.69 0.00 0.00 174.62 172.89 2qbj s THR 41 N -1.95 -0.14 0.18 -0.82 2.01 0.51 -4.95 115.64 110.48 2qbj s THR 41 Ca 0.04 0.39 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 2qbj s THR 41 Cb -0.06 -0.18 -0.08 0.00 0.01 0.00 0.00 72.50 72.19 2qbj s THR 41 CO 0.02 0.16 0.77 -0.54 -0.69 0.00 0.00 174.62 174.34 2qbj s LYS 42 N 2.10 4.51 0.22 4.92 1.02 -1.26 -1.67 119.74 129.59 2qbj s LYS 42 Ca 0.03 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.16 2qbj s LYS 42 Cb -0.12 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2qbj s LYS 42 CO -0.04 0.54 0.02 -0.51 -0.92 0.00 0.00 175.35 174.44 2qbj s LEU 43 N -1.30 2.08 -0.53 3.17 1.02 -0.25 -4.96 118.68 117.91 2qbj s LEU 43 Ca 0.37 -1.24 0.04 0.00 0.02 0.00 0.00 54.13 53.32 2qbj s LEU 43 Cb -0.22 -0.16 0.14 0.00 0.02 0.00 0.00 46.19 45.97 2qbj s LEU 43 CO 0.25 -0.57 0.30 -1.00 0.02 0.00 0.00 176.35 175.36 2qbj s HIS 44 N -3.54 2.86 0.86 0.29 3.76 -1.26 -0.73 115.29 117.54 2qbj s HIS 44 Ca 0.29 -2.98 -0.12 0.00 -0.15 0.00 0.00 55.06 52.10 2qbj s HIS 44 Cb 0.06 -2.48 0.11 0.00 1.11 0.00 0.00 32.58 31.37 2qbj s HIS 44 CO 0.08 -0.72 1.11 0.08 -0.85 0.00 0.00 174.74 174.45 2qbj s VAL 45 N -0.33 2.59 -0.35 -0.90 1.01 0.30 -3.82 120.40 118.89 2qbj s VAL 45 Ca 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2qbj s VAL 45 Cb -0.20 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.33 2qbj s VAL 45 CO -0.04 -0.25 0.11 -2.28 0.00 0.00 0.00 175.10 172.64 2qbj s HIS 46 N -3.18 3.33 -0.90 5.22 2.46 0.61 -1.15 115.29 121.68 2qbj s HIS 46 Ca 0.62 -1.77 -0.01 0.00 0.47 0.00 0.00 55.06 54.38 2qbj s HIS 46 Cb -0.15 -2.47 0.26 0.00 -0.13 0.00 0.00 32.58 30.08 2qbj s HIS 46 CO 0.54 -0.81 0.99 -3.47 -2.47 0.00 0.00 174.74 169.52 2qbj n ASP 47 N 4.72 4.80 -0.29 9.88 4.64 0.52 -3.21 116.55 137.62 2qbj n ASP 47 Ca -0.10 -3.28 0.11 0.00 -1.38 0.00 0.00 54.79 50.13 2qbj n ASP 47 Cb 0.43 -1.04 0.25 0.00 -1.04 0.00 0.00 41.12 39.73 2qbj n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2qbj h GLU 48 N 5.43 0.19 -0.01 -0.67 4.22 -1.96 0.25 114.58 122.03 2qbj h GLU 48 Ca 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.61 2qbj h GLU 48 Cb 0.72 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qbj h GLU 48 CO 1.00 0.12 -0.08 0.09 -2.18 0.00 0.00 179.01 177.96 2qbj n ASN 49 N -5.25 0.86 -0.65 1.04 3.02 -1.26 -4.77 115.26 108.25 2qbj n ASN 49 Ca 0.19 -1.02 -0.08 0.00 -0.03 0.00 0.00 54.58 53.65 2qbj n ASN 49 Cb 0.62 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.76 2qbj n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qbj n ASN 50 N -0.52 -5.02 -0.17 6.41 4.13 0.88 -4.80 115.26 116.17 2qbj n ASN 50 Ca 0.17 0.19 0.22 0.00 1.68 0.00 0.00 54.58 56.84 2qbj n ASN 50 Cb 0.29 -3.61 0.61 0.00 -1.54 0.00 0.00 39.78 35.53 2qbj n ASN 50 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qbj h GLU 51 N 0.00 0.20 -6.14 3.52 4.11 -1.90 -3.41 114.58 110.97 2qbj h GLU 51 Ca -0.16 -0.01 -0.59 0.00 0.07 0.00 0.00 59.36 58.67 2qbj h GLU 51 Cb 1.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2qbj h GLU 51 CO 0.23 0.13 -0.27 0.00 0.07 0.00 0.00 179.01 179.18 2qbj n GLY 53 N 0.60 4.26 3.80 0.00 0.00 -1.26 -5.08 105.19 107.50 2qbj n GLY 53 Ca -0.06 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 2qbj n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbj s ILE 54 N -0.41 4.21 0.00 -0.61 2.07 -1.26 -3.55 121.20 121.64 2qbj s ILE 54 Ca 0.00 1.61 0.00 0.00 -1.41 0.00 0.00 60.65 60.85 2qbj s ILE 54 Cb 0.00 -3.80 0.00 0.00 0.13 0.00 0.00 42.46 38.79 2qbj s ILE 54 CO 0.00 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.58 2qbj n GLY 55 N 0.05 2.74 3.63 1.50 0.00 -0.68 -4.85 105.19 107.57 2qbj n GLY 55 Ca 0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2qbj n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbj n ASP 56 N 0.52 0.77 -3.96 1.61 9.92 -1.23 -4.38 116.55 119.79 2qbj n ASP 56 Ca 0.00 0.75 -0.41 0.00 -0.53 0.00 0.00 54.79 54.61 2qbj n ASP 56 Cb 0.00 -1.41 -0.01 0.00 -0.64 0.00 0.00 41.12 39.06 2qbj n ASP 56 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2qbj n VAL 57 N -2.06 4.71 -3.14 2.53 0.31 0.22 -0.89 118.33 120.02 2qbj n VAL 57 Ca 0.14 -5.74 -0.34 0.00 -0.01 0.00 0.00 64.34 58.40 2qbj n VAL 57 Cb 0.48 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.20 2qbj n VAL 57 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qbj s VAL 58 N -2.53 4.66 0.06 2.52 -7.23 -0.95 -1.22 120.40 115.72 2qbj s VAL 58 Ca 0.32 1.03 0.06 0.00 -1.81 0.00 0.00 61.98 61.57 2qbj s VAL 58 Cb 0.04 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2qbj s VAL 58 CO 0.06 -0.06 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.00 2qbj s GLU 59 N -2.66 2.30 0.12 4.82 2.12 -0.99 -0.11 118.70 124.29 2qbj s GLU 59 Ca 0.50 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.95 2qbj s GLU 59 Cb -0.12 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2qbj s GLU 59 CO 0.19 0.55 0.11 0.44 -0.54 0.00 0.00 175.26 176.00 2qbj n ILE 60 N 1.09 0.00 -3.85 -3.70 -0.00 0.18 -1.74 119.36 111.34 2qbj n ILE 60 Ca -0.14 -0.81 -0.09 0.00 -0.00 0.00 0.00 62.75 61.70 2qbj n ILE 60 Cb 0.52 0.42 -0.07 0.00 -0.00 0.00 0.00 39.64 40.51 2qbj n ILE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qbj s ARG 61 N -2.44 0.89 0.40 6.28 1.70 -0.71 -1.12 118.95 123.95 2qbj s ARG 61 Ca 0.13 -0.96 -0.24 0.00 -0.47 0.00 0.00 55.73 54.20 2qbj s ARG 61 Cb 0.01 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 2qbj s ARG 61 CO 0.09 -0.29 1.06 -2.00 -1.08 0.00 0.00 175.30 173.08 2qbj s GLU 62 N -3.87 4.14 0.07 3.89 2.12 -1.26 -1.19 118.70 122.61 2qbj s GLU 62 Ca 0.06 1.53 -0.01 0.00 0.36 0.00 0.00 54.97 56.90 2qbj s GLU 62 Cb 0.04 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 31.91 2qbj s GLU 62 CO -0.10 -0.17 0.12 0.00 -0.54 0.00 0.00 175.26 174.57 2qbj n ARG 64 N -0.11 2.46 -1.69 0.00 0.63 -1.26 -4.65 116.66 112.04 2qbj n ARG 64 Ca -0.01 0.87 -0.43 0.00 -0.92 0.00 0.00 57.85 57.37 2qbj n ARG 64 Cb 0.12 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.41 2qbj n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2qbj s PRO 65 N -1.01 3.12 0.17 -0.14 0.04 -1.26 -4.70 135.00 131.21 2qbj s PRO 65 Ca 0.61 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.79 2qbj s PRO 65 Cb -0.54 -4.35 0.88 0.00 0.04 0.00 0.00 34.50 30.54 2qbj s PRO 65 CO 0.54 -2.12 1.80 1.28 0.04 0.00 0.00 177.00 178.54 2qbj n LEU 66 N 11.62 0.67 0.00 -3.56 4.32 -0.47 -4.97 117.00 124.59 2qbj n LEU 66 Ca 0.29 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.83 2qbj n LEU 66 Cb 0.46 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2qbj n LEU 66 CO 0.67 -0.15 0.00 -0.24 -1.22 0.00 0.00 177.39 176.45 2qbj n SER 67 N -2.12 0.00 -4.78 -1.43 2.88 -0.92 -5.00 113.62 102.25 2qbj n SER 67 Ca 0.06 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.19 2qbj n SER 67 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 2qbj n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2qbj s LYS 68 N -1.24 4.16 0.00 -1.46 1.02 -1.26 -2.34 119.74 118.61 2qbj s LYS 68 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.43 2qbj s LYS 68 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2qbj s LYS 68 CO 0.00 -0.44 0.00 0.25 -0.92 0.00 0.00 175.35 174.24 2qbj n THR 69 N 0.51 0.00 -2.94 2.17 -2.24 -1.26 -4.83 114.28 105.69 2qbj n THR 69 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2qbj n THR 69 Cb 0.40 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 2qbj n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qbj s LYS 70 N 0.00 3.36 0.00 -0.78 2.20 -0.99 -4.05 119.74 119.48 2qbj s LYS 70 Ca 0.00 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2qbj s LYS 70 Cb 0.00 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2qbj s LYS 70 CO 0.00 -1.24 0.57 0.43 -0.36 0.00 0.00 175.35 174.76 2qbj n SER 71 N 6.88 0.00 -3.94 1.43 7.64 -1.25 -1.37 113.62 123.01 2qbj n SER 71 Ca 0.01 -1.32 -0.19 0.00 1.01 0.00 0.00 58.87 58.39 2qbj n SER 71 Cb 0.48 -0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.46 2qbj n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2qbj s TRP 72 N 0.00 0.69 -0.11 1.43 0.52 -1.26 -1.14 118.94 119.07 2qbj s TRP 72 Ca 0.00 -0.16 -0.02 0.00 0.02 0.00 0.00 56.10 55.94 2qbj s TRP 72 Cb 0.00 -0.53 -0.03 0.00 -1.15 0.00 0.00 33.47 31.75 2qbj s TRP 72 CO 0.00 -0.10 -0.03 0.99 0.02 0.00 0.00 176.95 177.84 2qbj s THR 73 N 0.37 4.05 0.22 2.01 2.01 -0.33 -0.29 115.64 123.68 2qbj s THR 73 Ca -0.05 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2qbj s THR 73 Cb -0.09 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.62 2qbj s THR 73 CO 0.00 0.56 1.18 -0.22 -0.69 0.00 0.00 174.62 175.45 2qbj s LEU 74 N -0.41 4.48 0.00 4.42 1.98 -1.20 -1.74 118.68 126.21 2qbj s LEU 74 Ca 0.07 2.27 0.00 0.00 -2.89 0.00 0.00 54.13 53.58 2qbj s LEU 74 Cb -0.12 -3.62 0.00 0.00 0.66 0.00 0.00 46.19 43.11 2qbj s LEU 74 CO 0.02 -0.32 0.00 1.33 -1.89 0.00 0.00 176.35 175.50 2qbj n VAL 75 N 2.02 0.00 -4.41 1.68 0.24 -0.71 -4.95 118.33 112.20 2qbj n VAL 75 Ca 0.02 0.41 -0.22 0.00 -2.04 0.00 0.00 64.34 62.51 2qbj n VAL 75 Cb 0.45 -1.40 -0.07 0.00 -1.47 0.00 0.00 33.84 31.35 2qbj n VAL 75 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2qbj n ARG 76 N -2.29 0.56 -3.96 7.34 1.85 -1.23 -5.04 116.66 113.88 2qbj n ARG 76 Ca 0.00 -3.09 -0.34 0.00 -1.00 0.00 0.00 57.85 53.42 2qbj n ARG 76 Cb 0.00 1.85 -0.14 0.00 -1.05 0.00 0.00 32.46 33.12 2qbj n ARG 76 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qbj s VAL 77 N -2.99 2.75 0.19 8.89 1.01 -1.26 -2.34 120.40 126.64 2qbj s VAL 77 Ca 0.22 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2qbj s VAL 77 Cb 0.01 -2.54 -0.11 0.00 0.00 0.00 0.00 36.38 33.75 2qbj s VAL 77 CO 0.16 -0.00 1.44 0.58 0.00 0.00 0.00 175.10 177.28 2qbj h VAL 78 N 6.45 1.43 -2.62 2.92 2.07 -1.50 -3.43 116.25 121.56 2qbj h VAL 78 Ca -0.24 -2.30 -0.22 0.00 0.82 0.00 0.00 66.70 64.76 2qbj h VAL 78 Cb 1.07 2.24 -0.32 0.00 -1.52 0.00 0.00 31.29 32.75 2qbj h VAL 78 CO 0.53 0.68 -0.53 -0.70 0.02 0.00 0.00 177.57 177.57 2qbj s GLU 79 N -3.47 0.20 0.00 1.57 2.56 -1.04 -4.94 118.70 113.58 2qbj s GLU 79 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 54.97 55.55 2qbj s GLU 79 Cb 0.11 -0.33 0.00 0.00 2.00 0.00 0.00 34.13 35.91 2qbj s GLU 79 CO 0.82 -0.42 0.87 0.36 -0.56 0.00 0.00 175.26 176.34 2qbj n LYS 80 N 5.35 0.54 -1.38 4.30 -0.00 -1.26 0.73 118.16 126.44 2qbj n LYS 80 Ca -0.06 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.44 2qbj n LYS 80 Cb 0.50 -1.23 -0.05 0.00 -0.00 0.00 0.00 35.03 34.25 2qbj n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbj n ALA 81 N 1.34 -3.57 -2.49 0.58 0.00 -1.26 -4.76 120.51 110.35 2qbj n ALA 81 Ca 0.00 0.51 -0.38 0.00 0.00 0.00 0.00 53.44 53.56 2qbj n ALA 81 Cb 0.27 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2qbj n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbj s VAL 82 N -2.49 4.95 0.00 0.00 0.11 -1.26 -4.93 120.40 116.79 2qbj s VAL 82 Ca 0.00 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2qbj s VAL 82 Cb 0.00 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2qbj s VAL 82 CO 0.00 0.46 0.43 0.18 -3.33 0.00 0.00 175.10 172.85