#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s ILE 4 N 0.00 0.06 0.14 3.15 -5.25 -1.26 -5.14 121.20 112.90 2qan s ILE 4 Ca 0.00 -0.47 -0.30 0.00 -0.99 0.00 0.00 60.65 58.89 2qan s ILE 4 Cb 0.00 -0.32 -0.07 0.00 2.95 0.00 0.00 42.46 45.02 2qan s ILE 4 CO 0.00 -0.26 1.15 -0.13 -1.79 0.00 0.00 174.94 173.91 2qan s ARG 5 N -0.87 4.52 -0.13 0.37 0.52 -1.26 -5.04 118.95 117.07 2qan s ARG 5 Ca -0.10 1.77 -0.06 0.00 -0.52 0.00 0.00 55.73 56.83 2qan s ARG 5 Cb -0.05 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.18 2qan s ARG 5 CO 0.01 -0.07 0.28 0.95 0.02 0.00 0.00 175.30 176.49 2qan s THR 6 N 0.22 -0.22 -0.08 0.02 -4.23 -1.26 -4.55 115.64 105.54 2qan s THR 6 Ca 0.53 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 61.09 2qan s THR 6 Cb -0.30 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 2qan s THR 6 CO 0.34 0.08 0.37 -0.76 -0.54 0.00 0.00 174.62 174.11 2qan s LEU 7 N 1.81 4.36 -0.12 4.79 1.43 -0.76 -4.84 118.68 125.35 2qan s LEU 7 Ca -0.05 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2qan s LEU 7 Cb -0.11 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2qan s LEU 7 CO -0.09 0.20 -0.02 0.00 0.23 0.00 0.00 176.35 176.66 2qan s GLN 8 N -0.26 3.28 0.22 1.70 -2.07 -1.26 -1.38 119.66 119.89 2qan s GLN 8 Ca 0.22 -0.47 -0.16 0.00 -1.82 0.00 0.00 55.36 53.12 2qan s GLN 8 Cb -0.15 -2.83 0.01 0.00 -1.09 0.00 0.00 33.01 28.95 2qan s GLN 8 CO 0.09 0.48 0.52 0.20 -1.32 0.00 0.00 175.29 175.27 2qan s GLY 9 N -0.29 0.15 0.10 2.60 0.00 0.11 -4.86 107.32 105.14 2qan s GLY 9 Ca 0.05 -0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.01 2qan s GLY 9 CO 0.02 -0.39 0.84 1.09 0.00 0.00 0.00 173.10 174.66 2qan s ARG 10 N -3.93 4.60 0.05 2.90 1.70 -1.20 -0.65 118.95 122.41 2qan s ARG 10 Ca 0.14 1.23 -0.31 0.00 -0.47 0.00 0.00 55.73 56.33 2qan s ARG 10 Cb -0.01 -3.34 -0.06 0.00 -0.57 0.00 0.00 34.95 30.96 2qan s ARG 10 CO 0.03 0.34 1.32 0.08 -1.08 0.00 0.00 175.30 175.98 2qan s VAL 11 N -0.33 3.72 -0.07 4.99 1.01 -1.15 -2.18 120.40 126.39 2qan s VAL 11 Ca 0.41 1.19 0.17 0.00 0.00 0.00 0.00 61.98 63.75 2qan s VAL 11 Cb -0.22 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.13 2qan s VAL 11 CO 0.26 0.06 0.29 0.55 0.00 0.00 0.00 175.10 176.26 2qan n VAL 12 N 4.20 0.40 -3.76 2.92 3.14 -0.71 -0.83 118.33 123.69 2qan n VAL 12 Ca 0.11 -0.52 -0.13 0.00 -2.96 0.00 0.00 64.34 60.84 2qan n VAL 12 Cb 0.44 -0.13 -0.11 0.00 -1.06 0.00 0.00 33.84 32.98 2qan n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2qan s SER 13 N -4.45 -0.34 -0.45 6.55 0.15 -0.94 -4.93 113.70 109.29 2qan s SER 13 Ca -0.07 0.65 0.06 0.00 0.70 0.00 0.00 55.95 57.29 2qan s SER 13 Cb 0.10 0.65 0.22 0.00 -1.71 0.00 0.00 66.02 65.28 2qan s SER 13 CO 0.74 -0.11 0.67 -0.67 1.20 0.00 0.00 173.24 175.07 2qan n ASP 14 N 2.94 -1.73 0.00 5.45 4.64 -1.26 -1.27 116.55 125.32 2qan n ASP 14 Ca -0.13 -2.91 0.00 0.00 -1.38 0.00 0.00 54.79 50.37 2qan n ASP 14 Cb 0.58 0.72 0.00 0.00 -1.04 0.00 0.00 41.12 41.38 2qan n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2qan n LYS 15 N 2.00 0.76 -4.19 -0.67 5.02 -1.26 -4.95 118.16 114.88 2qan n LYS 15 Ca 0.17 -0.71 -0.25 0.00 -2.02 0.00 0.00 58.31 55.50 2qan n LYS 15 Cb 0.56 -0.72 -0.07 0.00 -0.02 0.00 0.00 35.03 34.79 2qan n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qan s MET 16 N -0.30 2.56 -0.21 1.97 -1.94 -1.25 -5.07 119.30 115.05 2qan s MET 16 Ca 0.00 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.56 2qan s MET 16 Cb 0.00 -2.40 -0.01 0.00 2.01 0.00 0.00 34.83 34.43 2qan s MET 16 CO 0.00 0.43 1.33 -1.21 -0.01 0.00 0.00 175.02 175.56 2qan s GLU 17 N -3.29 4.09 0.00 2.03 2.02 -1.26 -3.16 118.70 119.13 2qan s GLU 17 Ca 0.30 1.56 0.00 0.00 0.02 0.00 0.00 54.97 56.85 2qan s GLU 17 Cb -0.09 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.31 2qan s GLU 17 CO 0.21 -0.89 0.00 1.63 0.02 0.00 0.00 175.26 176.22 2qan n LYS 18 N 6.95 0.00 -4.03 1.61 5.02 -1.26 -4.93 118.16 121.53 2qan n LYS 18 Ca 0.15 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.11 2qan n LYS 18 Cb 0.45 -3.74 -0.06 0.00 -0.02 0.00 0.00 35.03 31.66 2qan n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qan s SER 19 N -2.32 5.90 -0.14 4.39 0.01 -1.19 0.17 113.70 120.52 2qan s SER 19 Ca 0.00 0.20 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 2qan s SER 19 Cb 0.00 -1.74 0.05 0.00 0.21 0.00 0.00 66.02 64.53 2qan s SER 19 CO 0.00 0.26 0.36 -0.63 0.41 0.00 0.00 173.24 173.63 2qan s ILE 20 N -1.26 -0.02 -0.16 1.44 1.01 -0.74 -3.92 121.20 117.54 2qan s ILE 20 Ca 0.25 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.83 2qan s ILE 20 Cb -0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 2qan s ILE 20 CO 0.17 0.03 0.35 -0.69 0.00 0.00 0.00 174.94 174.79 2qan s VAL 21 N 0.97 5.27 0.02 2.92 1.01 -0.39 -0.33 120.40 129.85 2qan s VAL 21 Ca -0.06 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.62 2qan s VAL 21 Cb -0.07 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2qan s VAL 21 CO -0.07 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 2qan s VAL 22 N 0.66 1.28 0.11 2.92 1.01 0.92 -1.73 120.40 125.56 2qan s VAL 22 Ca 0.19 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2qan s VAL 22 Cb -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2qan s VAL 22 CO 0.06 0.20 0.14 0.00 0.00 0.00 0.00 175.10 175.49 2qan s ALA 23 N -0.62 3.68 -0.17 5.51 0.00 -0.93 -0.99 121.76 128.23 2qan s ALA 23 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2qan s ALA 23 Cb -0.07 -1.51 0.07 0.00 0.00 0.00 0.00 23.12 21.60 2qan s ALA 23 CO 0.01 0.67 0.13 0.96 0.00 0.00 0.00 175.76 177.52 2qan s ILE 24 N -1.55 -0.16 0.75 0.00 -4.36 -0.09 -3.23 121.20 112.56 2qan s ILE 24 Ca 0.31 -0.11 -0.11 0.00 -0.26 0.00 0.00 60.65 60.48 2qan s ILE 24 Cb -0.12 -0.58 0.04 0.00 1.25 0.00 0.00 42.46 43.06 2qan s ILE 24 CO 0.24 -0.23 1.08 -1.61 0.24 0.00 0.00 174.94 174.66 2qan s GLU 25 N 2.20 2.48 -0.30 0.37 2.02 -1.26 -0.95 118.70 123.26 2qan s GLU 25 Ca 0.04 0.87 -0.15 0.00 0.02 0.00 0.00 54.97 55.74 2qan s GLU 25 Cb -0.16 -1.94 0.16 0.00 0.10 0.00 0.00 34.13 32.29 2qan s GLU 25 CO -0.10 -1.40 1.00 -0.98 0.02 0.00 0.00 175.26 173.80 2qan s ARG 26 N -5.06 0.31 1.04 1.61 1.70 0.25 -4.90 118.95 113.90 2qan s ARG 26 Ca 0.60 0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 56.41 2qan s ARG 26 Cb -0.15 0.30 0.21 0.00 -0.57 0.00 0.00 34.95 34.75 2qan s ARG 26 CO 0.55 -0.09 1.07 -0.06 -1.08 0.00 0.00 175.30 175.69 2qan s PHE 27 N 2.03 1.82 -0.30 5.89 0.08 -1.26 -0.75 117.98 125.48 2qan s PHE 27 Ca -0.05 1.15 -0.18 0.00 0.12 0.00 0.00 56.93 57.98 2qan s PHE 27 Cb -0.05 -3.19 0.19 0.00 -0.57 0.00 0.00 43.02 39.40 2qan s PHE 27 CO -0.16 -3.20 1.21 0.54 -0.10 0.00 0.00 175.22 173.50 2qan s VAL 28 N -2.75 -0.13 0.15 -0.44 0.11 -0.92 -4.81 120.40 111.61 2qan s VAL 28 Ca 0.66 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.41 2qan s VAL 28 Cb -0.21 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 2qan s VAL 28 CO 0.60 0.00 1.30 -0.75 -3.33 0.00 0.00 175.10 172.92 2qan s LYS 29 N 1.90 4.39 0.03 1.54 2.20 -1.26 -0.78 119.74 127.76 2qan s LYS 29 Ca -0.02 1.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.28 2qan s LYS 29 Cb -0.02 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2qan s LYS 29 CO -0.15 -0.29 1.56 -1.58 -0.36 0.00 0.00 175.35 174.53 2qan s HIS 30 N 0.55 2.53 -0.47 4.03 5.65 -0.47 -4.84 115.29 122.26 2qan s HIS 30 Ca 0.59 0.48 0.00 0.00 0.25 0.00 0.00 55.06 56.38 2qan s HIS 30 Cb -0.35 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 2qan s HIS 30 CO 0.34 -3.36 0.06 -0.35 -0.65 0.00 0.00 174.74 170.78 2qan n PRO 31 N 5.69 0.08 0.00 2.88 -0.04 -1.26 -1.36 135.00 140.98 2qan n PRO 31 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2qan n PRO 31 Cb 0.42 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2qan n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2qan n ILE 32 N 0.72 0.00 0.08 0.52 3.06 -1.26 -4.96 119.36 117.51 2qan n ILE 32 Ca 0.00 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.26 2qan n ILE 32 Cb 0.03 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.20 2qan n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2qan n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -1.00 -5.02 117.16 121.19 2qan n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2qan n TYR 33 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 2qan n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qan n GLY 34 N 0.89 1.04 2.71 2.72 0.00 -0.47 -4.85 105.19 107.24 2qan n GLY 34 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2qan n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qan n LYS 35 N 0.00 0.00 -2.89 1.61 3.00 -1.26 -2.86 118.16 115.76 2qan n LYS 35 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 2qan n LYS 35 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 35.03 33.86 2qan n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qan s PHE 36 N 0.93 3.52 -0.03 5.64 0.40 -1.26 -1.37 117.98 125.81 2qan s PHE 36 Ca 0.73 1.37 0.02 0.00 -0.60 0.00 0.00 56.93 58.44 2qan s PHE 36 Cb -1.03 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 39.49 2qan s PHE 36 CO 0.51 -0.09 -0.04 0.42 0.70 0.00 0.00 175.22 176.71 2qan s ILE 37 N 1.50 3.87 -0.65 0.64 1.09 0.04 -4.81 121.20 122.89 2qan s ILE 37 Ca 0.42 -0.59 -0.22 0.00 -1.10 0.00 0.00 60.65 59.15 2qan s ILE 37 Cb -0.18 -2.66 0.07 0.00 -1.06 0.00 0.00 42.46 38.63 2qan s ILE 37 CO 0.18 0.47 0.95 -0.75 -0.10 0.00 0.00 174.94 175.68 2qan s LYS 38 N -1.23 3.11 0.39 2.79 2.20 -1.26 -2.16 119.74 123.58 2qan s LYS 38 Ca 0.16 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.91 2qan s LYS 38 Cb -0.11 -4.22 -0.04 0.00 -1.51 0.00 0.00 37.83 31.95 2qan s LYS 38 CO 0.06 -1.79 0.63 1.03 -0.36 0.00 0.00 175.35 174.93 2qan s ARG 39 N 3.98 3.53 0.05 4.03 3.00 0.07 -4.80 118.95 128.79 2qan s ARG 39 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 55.73 55.90 2qan s ARG 39 Cb -0.17 -2.56 -0.02 0.00 0.00 0.00 0.00 34.95 32.20 2qan s ARG 39 CO 0.10 0.03 -0.12 0.99 0.00 0.00 0.00 175.30 176.31 2qan s THR 40 N -2.43 0.92 -0.04 0.02 2.01 -1.26 0.85 115.64 115.71 2qan s THR 40 Ca 0.43 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2qan s THR 40 Cb -0.10 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2qan s THR 40 CO 0.38 -0.14 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.09 2qan s THR 41 N -1.03 1.56 -0.36 -0.82 2.01 -0.12 -4.89 115.64 111.99 2qan s THR 41 Ca -0.02 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2qan s THR 41 Cb -0.08 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.13 2qan s THR 41 CO 0.01 0.44 0.16 -0.54 -0.69 0.00 0.00 174.62 174.00 2qan s LYS 42 N -0.10 2.75 0.16 4.92 1.02 -1.26 -0.92 119.74 126.32 2qan s LYS 42 Ca -0.01 -1.11 0.08 0.00 0.02 0.00 0.00 55.97 54.94 2qan s LYS 42 Cb -0.11 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2qan s LYS 42 CO 0.02 -0.67 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.21 2qan s LEU 43 N 1.49 3.14 -0.94 3.17 1.02 -0.16 -4.95 118.68 121.45 2qan s LEU 43 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 2qan s LEU 43 Cb -0.19 -1.83 0.27 0.00 0.02 0.00 0.00 46.19 44.46 2qan s LEU 43 CO 0.05 0.11 1.09 1.41 0.02 0.00 0.00 176.35 179.03 2qan n HIS 44 N 0.09 3.49 -0.69 0.29 8.25 -1.26 -0.05 115.22 125.33 2qan n HIS 44 Ca -0.11 -3.52 -0.31 0.00 -0.26 0.00 0.00 57.72 53.52 2qan n HIS 44 Cb 0.55 -1.13 0.16 0.00 1.12 0.00 0.00 29.99 30.69 2qan n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2qan n VAL 45 N 1.65 0.00 -3.68 1.59 0.31 0.55 -4.46 118.33 114.29 2qan n VAL 45 Ca 0.25 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 64.16 2qan n VAL 45 Cb 0.37 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 2qan n VAL 45 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2qan s HIS 46 N -2.58 3.25 -0.59 3.52 2.46 0.26 -1.79 115.29 119.82 2qan s HIS 46 Ca 0.65 0.10 0.06 0.00 0.47 0.00 0.00 55.06 56.33 2qan s HIS 46 Cb -0.23 -2.29 0.21 0.00 -0.13 0.00 0.00 32.58 30.14 2qan s HIS 46 CO 0.60 -0.05 0.55 -3.47 -2.47 0.00 0.00 174.74 169.91 2qan n ASP 47 N 4.55 2.28 0.13 9.88 4.64 0.45 -2.12 116.55 136.36 2qan n ASP 47 Ca -0.15 -3.07 0.17 0.00 -1.38 0.00 0.00 54.79 50.35 2qan n ASP 47 Cb 0.52 -0.68 0.73 0.00 -1.04 0.00 0.00 41.12 40.65 2qan n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2qan h GLU 48 N 4.85 0.00 -0.00 -0.67 4.22 -1.95 -1.58 114.58 119.45 2qan h GLU 48 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 2qan h GLU 48 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2qan h GLU 48 CO 0.66 0.00 -0.79 0.09 -2.18 0.00 0.00 179.01 176.79 2qan n ASN 49 N -4.18 1.13 -0.18 1.04 4.13 -1.26 -4.80 115.26 111.15 2qan n ASN 49 Ca 0.04 -0.99 -0.02 0.00 1.68 0.00 0.00 54.58 55.29 2qan n ASN 49 Cb 0.41 0.75 -0.01 0.00 -1.54 0.00 0.00 39.78 39.39 2qan n ASN 49 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qan n ASN 50 N -1.17 -5.82 -0.28 6.41 4.13 -0.59 -4.83 115.26 113.11 2qan n ASN 50 Ca 0.06 0.06 0.09 0.00 1.68 0.00 0.00 54.58 56.47 2qan n ASN 50 Cb 0.36 -3.53 0.24 0.00 -1.54 0.00 0.00 39.78 35.31 2qan n ASN 50 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2qan h GLU 51 N 0.04 0.24 -6.54 3.52 4.11 -1.92 -3.41 114.58 110.62 2qan h GLU 51 Ca -0.05 -0.01 -0.52 0.00 0.07 0.00 0.00 59.36 58.85 2qan h GLU 51 Cb 1.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2qan h GLU 51 CO 0.07 0.16 -0.06 0.00 0.07 0.00 0.00 179.01 179.25 2qan n GLY 53 N -0.45 6.55 3.75 0.00 0.00 -1.26 -5.07 105.19 108.71 2qan n GLY 53 Ca 0.01 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 2qan n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qan s ILE 54 N 0.78 3.90 0.00 -0.61 2.07 -1.26 -3.30 121.20 122.79 2qan s ILE 54 Ca 0.00 1.91 0.00 0.00 -1.41 0.00 0.00 60.65 61.15 2qan s ILE 54 Cb 0.00 -4.22 0.00 0.00 0.13 0.00 0.00 42.46 38.37 2qan s ILE 54 CO 0.00 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 2qan n GLY 55 N 1.42 3.00 3.61 1.50 0.00 -0.01 -4.71 105.19 110.00 2qan n GLY 55 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2qan n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qan s ASP 56 N -0.77 5.72 -0.71 1.61 1.11 -1.21 -4.20 116.67 118.21 2qan s ASP 56 Ca 0.00 1.97 -0.26 0.00 0.18 0.00 0.00 52.55 54.44 2qan s ASP 56 Cb 0.00 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.40 2qan s ASP 56 CO 0.00 -1.74 2.15 -0.69 1.18 0.00 0.00 175.17 176.07 2qan s VAL 57 N 7.34 3.21 0.39 -1.27 1.01 -0.97 -2.93 120.40 127.19 2qan s VAL 57 Ca 0.95 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.95 2qan s VAL 57 Cb -0.33 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2qan s VAL 57 CO 0.36 -0.49 0.53 0.68 0.00 0.00 0.00 175.10 176.17 2qan s VAL 58 N 11.54 3.37 -0.01 2.92 -7.23 0.18 -0.51 120.40 130.65 2qan s VAL 58 Ca 0.81 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.02 2qan s VAL 58 Cb -0.12 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2qan s VAL 58 CO 0.13 -0.06 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.01 2qan s GLU 59 N -4.28 1.23 0.28 4.82 2.12 -0.90 0.09 118.70 122.06 2qan s GLU 59 Ca 0.51 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.32 2qan s GLU 59 Cb -0.10 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 33.07 2qan s GLU 59 CO 0.32 0.33 0.26 0.96 -0.54 0.00 0.00 175.26 176.59 2qan s ILE 60 N -0.37 0.00 0.08 -3.70 -0.00 -0.48 -0.48 121.20 116.25 2qan s ILE 60 Ca 0.06 -1.93 -0.03 0.00 -0.00 0.00 0.00 60.65 58.75 2qan s ILE 60 Cb -0.06 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.46 39.87 2qan s ILE 60 CO -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 174.94 174.98 2qan s ARG 61 N -3.67 0.75 0.48 0.37 1.04 -1.07 -1.82 118.95 115.02 2qan s ARG 61 Ca 0.38 -1.21 -0.20 0.00 -1.04 0.00 0.00 55.73 53.66 2qan s ARG 61 Cb 0.04 0.25 -0.09 0.00 -2.04 0.00 0.00 34.95 33.11 2qan s ARG 61 CO 0.21 -0.19 1.03 -2.00 -0.04 0.00 0.00 175.30 174.31 2qan s GLU 62 N -3.94 3.85 0.00 3.89 2.12 -1.26 -2.17 118.70 121.19 2qan s GLU 62 Ca 0.10 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.78 2qan s GLU 62 Cb 0.07 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2qan s GLU 62 CO -0.07 -0.39 0.00 0.00 -0.54 0.00 0.00 175.26 174.26 2qan s ARG 64 N -1.60 3.74 -0.67 0.00 3.52 -1.26 -4.72 118.95 117.96 2qan s ARG 64 Ca 0.00 2.34 -0.26 0.00 -0.13 0.00 0.00 55.73 57.68 2qan s ARG 64 Cb 0.00 -2.66 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 2qan s ARG 64 CO 0.00 -0.75 2.31 -1.25 -0.81 0.00 0.00 175.30 174.80 2qan s PRO 65 N -2.42 1.99 0.60 5.12 0.04 -1.26 -4.64 135.00 134.43 2qan s PRO 65 Ca 0.60 0.78 0.37 0.00 0.04 0.00 0.00 61.00 62.79 2qan s PRO 65 Cb -0.42 -4.70 1.89 0.00 0.04 0.00 0.00 34.50 31.32 2qan s PRO 65 CO 0.54 -3.71 2.20 -0.07 0.04 0.00 0.00 177.00 175.99 2qan h LEU 66 N 20.32 0.00 0.00 -3.56 3.38 -1.76 -3.46 115.31 130.23 2qan h LEU 66 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qan h LEU 66 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qan h LEU 66 CO 1.11 0.03 0.00 -0.24 0.09 0.00 0.00 178.44 179.43 2qan n SER 67 N -3.26 0.00 -4.53 -0.43 2.88 -1.02 -5.05 113.62 102.21 2qan n SER 67 Ca -0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.15 2qan n SER 67 Cb 0.17 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.68 2qan n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2qan n LYS 68 N -0.18 0.62 -3.60 -1.46 4.81 -1.26 -1.15 118.16 115.94 2qan n LYS 68 Ca 0.00 0.25 -0.23 0.00 -0.87 0.00 0.00 58.31 57.46 2qan n LYS 68 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.08 2qan n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qan n THR 69 N -1.86 -0.06 -3.41 3.15 -2.24 -1.26 -4.86 114.28 103.74 2qan n THR 69 Ca 0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 2qan n THR 69 Cb 0.48 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2qan n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qan s LYS 70 N -6.21 0.47 0.00 -0.78 2.20 -0.30 -4.26 119.74 110.86 2qan s LYS 70 Ca 0.45 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 57.08 2qan s LYS 70 Cb -0.26 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2qan s LYS 70 CO 0.56 -0.46 0.73 0.45 -0.36 0.00 0.00 175.35 176.27 2qan n SER 71 N 5.41 -0.09 -4.01 1.43 2.88 -1.26 -2.16 113.62 115.81 2qan n SER 71 Ca -0.06 -1.44 -0.20 0.00 -1.33 0.00 0.00 58.87 55.84 2qan n SER 71 Cb 0.50 -0.02 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 2qan n SER 71 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2qan s TRP 72 N 0.00 0.92 -0.06 0.66 0.52 -1.26 -0.63 118.94 119.09 2qan s TRP 72 Ca 0.02 -0.21 0.05 0.00 0.02 0.00 0.00 56.10 55.98 2qan s TRP 72 Cb 0.02 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 2qan s TRP 72 CO -0.01 -0.07 -0.21 0.99 0.02 0.00 0.00 176.95 177.67 2qan s THR 73 N 0.03 2.43 0.15 2.01 2.01 -0.92 0.91 115.64 122.25 2qan s THR 73 Ca -0.00 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.75 2qan s THR 73 Cb -0.07 -1.92 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 2qan s THR 73 CO 0.00 0.57 1.62 -0.22 -0.69 0.00 0.00 174.62 175.91 2qan s LEU 74 N -0.30 4.37 -0.21 4.42 1.98 -0.90 -2.60 118.68 125.44 2qan s LEU 74 Ca 0.01 2.64 -0.18 0.00 -2.89 0.00 0.00 54.13 53.71 2qan s LEU 74 Cb -0.13 -3.59 -0.19 0.00 0.66 0.00 0.00 46.19 42.95 2qan s LEU 74 CO 0.03 -0.87 0.14 1.33 -1.89 0.00 0.00 176.35 175.09 2qan n VAL 75 N 4.16 1.56 -3.61 1.68 0.24 0.37 -4.97 118.33 117.78 2qan n VAL 75 Ca 0.15 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 2qan n VAL 75 Cb 0.38 -1.97 -0.06 0.00 -1.47 0.00 0.00 33.84 30.73 2qan n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qan s ARG 76 N -2.41 0.46 0.46 7.34 1.70 -1.20 -5.04 118.95 120.26 2qan s ARG 76 Ca -0.30 0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 54.99 2qan s ARG 76 Cb 0.07 0.22 -0.10 0.00 -0.57 0.00 0.00 34.95 34.57 2qan s ARG 76 CO 0.60 -0.12 0.99 0.08 -1.08 0.00 0.00 175.30 175.77 2qan s VAL 77 N -0.69 4.18 0.00 4.99 1.01 -1.26 -2.12 120.40 126.51 2qan s VAL 77 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2qan s VAL 77 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2qan s VAL 77 CO -0.03 -0.34 0.60 0.52 0.00 0.00 0.00 175.10 175.86 2qan n VAL 78 N -0.90 0.33 -3.38 2.92 0.31 0.33 -4.92 118.33 113.02 2qan n VAL 78 Ca 0.08 -0.56 0.03 0.00 -0.01 0.00 0.00 64.34 63.88 2qan n VAL 78 Cb 0.53 0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 34.37 2qan n VAL 78 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qan s GLU 79 N -0.33 0.03 -0.13 5.55 2.56 -1.17 -4.89 118.70 120.31 2qan s GLU 79 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 2qan s GLU 79 Cb 0.00 0.03 -0.11 0.00 2.00 0.00 0.00 34.13 36.04 2qan s GLU 79 CO 0.00 -0.01 3.06 1.63 -0.56 0.00 0.00 175.26 179.39 2qan n LYS 80 N 3.91 1.94 -1.46 4.30 4.01 -1.26 -2.29 118.16 127.30 2qan n LYS 80 Ca -0.11 -1.22 0.10 0.00 -0.51 0.00 0.00 58.31 56.56 2qan n LYS 80 Cb 0.56 -1.86 -0.05 0.00 -0.51 0.00 0.00 35.03 33.17 2qan n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qan n ALA 81 N 1.80 -2.92 -2.16 7.82 0.00 -1.26 -4.47 120.51 119.31 2qan n ALA 81 Ca 0.37 0.71 -0.34 0.00 0.00 0.00 0.00 53.44 54.18 2qan n ALA 81 Cb 0.74 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 2qan n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qan s VAL 82 N -4.80 3.50 -2.05 0.00 0.11 -1.26 -4.98 120.40 110.93 2qan s VAL 82 Ca 0.00 -0.14 0.16 0.00 -2.93 0.00 0.00 61.98 59.07 2qan s VAL 82 Cb 0.00 -4.21 0.13 0.00 -1.53 0.00 0.00 36.38 30.77 2qan s VAL 82 CO 0.00 -1.16 1.02 0.18 -3.33 0.00 0.00 175.10 171.81