#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnn s GLN 2 N 0.00 3.47 -0.21 -0.52 0.74 -1.26 -5.11 119.66 116.78 2qnn s GLN 2 Ca 0.00 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.84 2qnn s GLN 2 Cb 0.00 -3.10 0.02 0.00 1.10 0.00 0.00 33.01 31.03 2qnn s GLN 2 CO 0.00 -0.18 -0.15 0.42 -0.55 0.00 0.00 175.29 174.83 2qnn s ILE 3 N 1.48 2.33 0.81 -2.34 1.01 -1.26 -5.11 121.20 118.12 2qnn s ILE 3 Ca 0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 2qnn s ILE 3 Cb -0.14 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.33 2qnn s ILE 3 CO -0.01 0.40 1.17 0.42 0.00 0.00 0.00 174.94 176.92 2qnn s THR 4 N 1.29 2.09 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.29 2qnn s THR 4 Ca 0.02 0.03 0.17 0.00 -1.18 0.00 0.00 61.69 60.73 2qnn s THR 4 Cb -0.15 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 70.97 2qnn s THR 4 CO -0.10 -0.04 1.17 0.18 -0.54 0.00 0.00 174.62 175.29 2qnn n LEU 5 N -3.33 2.50 0.25 4.79 4.77 -1.26 -4.59 117.00 120.13 2qnn n LEU 5 Ca 0.08 -2.96 0.10 0.00 -0.03 0.00 0.00 56.01 53.20 2qnn n LEU 5 Cb 0.61 -0.40 0.65 0.00 -2.33 0.00 0.00 43.42 41.95 2qnn n LEU 5 CO 0.57 0.69 0.94 -0.50 -1.33 0.00 0.00 177.39 177.76 2qnn h TRP 6 N 0.23 0.00 -2.09 -1.77 4.06 -2.06 -3.43 115.95 110.89 2qnn h TRP 6 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2qnn h TRP 6 Cb 1.00 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.03 2qnn h TRP 6 CO 0.06 0.15 -0.63 1.14 -3.56 0.00 0.00 178.44 175.61 2qnn s GLN 7 N -4.27 1.82 0.27 0.49 -2.07 -1.26 -5.11 119.66 109.52 2qnn s GLN 7 Ca -0.03 -2.00 -0.30 0.00 -1.82 0.00 0.00 55.36 51.21 2qnn s GLN 7 Cb 0.14 -1.42 -0.12 0.00 -1.09 0.00 0.00 33.01 30.51 2qnn s GLN 7 CO 0.62 -0.03 1.58 0.54 -1.32 0.00 0.00 175.29 176.67 2qnn n ARG 8 N -0.83 2.60 -2.17 9.60 1.74 -1.26 -4.87 116.66 121.47 2qnn n ARG 8 Ca -0.04 0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 57.54 2qnn n ARG 8 Cb 0.66 -2.70 -0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2qnn n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qnn n PRO 9 N 2.34 2.94 -3.38 5.56 -0.04 -1.26 -4.92 135.00 136.23 2qnn n PRO 9 Ca 0.10 -2.93 -0.37 0.00 -0.04 0.00 0.00 63.50 60.26 2qnn n PRO 9 Cb 0.36 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 2qnn n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qnn s LEU 10 N 3.58 4.26 0.21 1.53 1.43 -1.26 -1.39 118.68 127.04 2qnn s LEU 10 Ca 0.52 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2qnn s LEU 10 Cb 0.08 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2qnn s LEU 10 CO 0.02 0.02 0.02 0.68 0.23 0.00 0.00 176.35 177.32 2qnn s VAL 11 N 0.64 0.76 -0.04 -1.59 -7.23 0.03 -4.95 120.40 108.02 2qnn s VAL 11 Ca 0.23 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2qnn s VAL 11 Cb -0.14 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 2qnn s VAL 11 CO 0.08 -0.33 0.48 -0.89 -0.31 0.00 0.00 175.10 174.13 2qnn s THR 12 N -3.61 5.04 0.32 5.32 2.01 -1.26 -0.81 115.64 122.65 2qnn s THR 12 Ca 0.28 0.98 0.10 0.00 0.31 0.00 0.00 61.69 63.36 2qnn s THR 12 Cb 0.06 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2qnn s THR 12 CO 0.07 0.46 -0.09 0.27 -0.69 0.00 0.00 174.62 174.65 2qnn s ILE 13 N -0.31 2.53 -0.09 1.82 -4.36 0.42 -1.57 121.20 119.64 2qnn s ILE 13 Ca 0.26 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 2qnn s ILE 13 Cb -0.17 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2qnn s ILE 13 CO 0.13 -0.27 -0.08 -0.75 0.24 0.00 0.00 174.94 174.21 2qnn s LYS 14 N -3.62 1.45 -0.09 0.37 2.20 0.20 -0.82 119.74 119.43 2qnn s LYS 14 Ca 0.32 -0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 55.60 2qnn s LYS 14 Cb -0.01 -1.40 0.03 0.00 -1.51 0.00 0.00 37.83 34.94 2qnn s LYS 14 CO 0.17 -0.15 0.23 -1.50 -0.36 0.00 0.00 175.35 173.75 2qnn s ILE 15 N 1.28 -0.02 -1.83 5.43 2.07 -0.54 -0.91 121.20 126.68 2qnn s ILE 15 Ca -0.04 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2qnn s ILE 15 Cb -0.14 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2qnn s ILE 15 CO -0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2qnn n GLY 16 N 3.43 0.73 2.94 1.50 0.00 -1.26 -1.47 105.19 111.06 2qnn n GLY 16 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2qnn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnn n GLY 17 N -0.82 0.84 3.55 -0.02 0.00 -1.26 -5.02 105.19 102.45 2qnn n GLY 17 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2qnn n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qnn s GLN 18 N -0.11 2.64 0.04 1.61 -2.07 -0.54 -5.10 119.66 116.13 2qnn s GLN 18 Ca 0.00 -0.62 -0.26 0.00 -1.82 0.00 0.00 55.36 52.67 2qnn s GLN 18 Cb 0.00 -2.51 -0.05 0.00 -1.09 0.00 0.00 33.01 29.36 2qnn s GLN 18 CO 0.00 0.64 0.79 -0.51 -1.32 0.00 0.00 175.29 174.89 2qnn s LEU 19 N -0.84 4.44 0.10 2.60 1.43 -1.26 -1.46 118.68 123.67 2qnn s LEU 19 Ca 0.12 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 2qnn s LEU 19 Cb -0.11 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2qnn s LEU 19 CO 0.02 -0.02 -0.07 -0.54 0.23 0.00 0.00 176.35 175.97 2qnn s LYS 20 N 0.10 0.82 -0.05 1.70 1.02 -0.00 -4.99 119.74 118.34 2qnn s LYS 20 Ca 0.40 -1.29 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 2qnn s LYS 20 Cb -0.20 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.82 2qnn s LYS 20 CO 0.23 -0.01 0.51 -2.00 -0.92 0.00 0.00 175.35 173.17 2qnn s GLU 21 N -3.62 4.25 0.04 1.68 2.12 -1.26 -0.43 118.70 121.47 2qnn s GLU 21 Ca 0.10 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 2qnn s GLU 21 Cb 0.04 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2qnn s GLU 21 CO -0.04 0.35 0.02 0.00 -0.54 0.00 0.00 175.26 175.05 2qnn s ALA 22 N -0.06 0.19 -0.17 6.30 0.00 0.01 -4.46 121.76 123.57 2qnn s ALA 22 Ca 0.28 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 2qnn s ALA 22 Cb -0.17 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2qnn s ALA 22 CO 0.14 -0.30 0.28 -1.17 0.00 0.00 0.00 175.76 174.71 2qnn s LEU 23 N -2.24 4.23 -0.47 0.00 2.96 0.14 -0.79 118.68 122.50 2qnn s LEU 23 Ca -0.03 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2qnn s LEU 23 Cb -0.00 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.38 2qnn s LEU 23 CO -0.06 0.09 1.15 -0.76 -1.32 0.00 0.00 176.35 175.45 2qnn s LEU 24 N 0.55 3.64 -0.36 -0.68 1.43 -0.48 -0.75 118.68 122.03 2qnn s LEU 24 Ca 0.15 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2qnn s LEU 24 Cb -0.13 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2qnn s LEU 24 CO 0.03 -1.25 0.08 -0.62 0.23 0.00 0.00 176.35 174.82 2qnn s ASP 25 N 2.49 4.58 0.19 2.29 -1.08 -0.33 -4.77 116.67 120.04 2qnn s ASP 25 Ca 0.48 -2.17 0.22 0.00 -0.52 0.00 0.00 52.55 50.56 2qnn s ASP 25 Cb -0.07 -1.49 0.90 0.00 -1.46 0.00 0.00 42.92 40.79 2qnn s ASP 25 CO 0.31 -0.37 1.67 0.35 0.52 0.00 0.00 175.17 177.66 2qnn n THR 26 N 4.22 0.81 1.14 1.71 -2.24 -1.26 -2.10 114.28 116.56 2qnn n THR 26 Ca 0.03 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 2qnn n THR 26 Cb 0.41 -1.05 0.50 0.00 -2.10 0.00 0.00 70.33 68.09 2qnn n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qnn n GLY 27 N 0.18 -1.23 3.66 3.38 0.00 -1.26 -4.79 105.19 105.13 2qnn n GLY 27 Ca 0.03 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2qnn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnn s ALA 28 N -2.82 3.57 0.29 4.61 0.00 -0.89 -4.96 121.76 121.56 2qnn s ALA 28 Ca 0.18 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2qnn s ALA 28 Cb 0.19 -2.62 0.45 0.00 0.00 0.00 0.00 23.12 21.14 2qnn s ALA 28 CO 0.56 -0.37 1.75 -0.44 0.00 0.00 0.00 175.76 177.27 2qnn h ASP 29 N 7.55 0.47 -1.74 0.00 3.32 -1.86 0.17 116.42 124.33 2qnn h ASP 29 Ca -0.35 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 55.94 2qnn h ASP 29 Cb 1.16 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 40.46 2qnn h ASP 29 CO 0.70 0.69 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.49 2qnn s ASP 30 N -6.80 3.96 -0.25 6.45 1.11 -1.26 -2.19 116.67 117.69 2qnn s ASP 30 Ca -0.07 -1.25 -0.10 0.00 0.18 0.00 0.00 52.55 51.31 2qnn s ASP 30 Cb 0.14 -0.41 -0.05 0.00 1.07 0.00 0.00 42.92 43.67 2qnn s ASP 30 CO 0.78 -0.39 0.16 -0.89 1.18 0.00 0.00 175.17 176.01 2qnn s THR 31 N -2.65 5.23 -0.14 -1.27 2.01 -1.26 -3.09 115.64 114.47 2qnn s THR 31 Ca 0.35 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 2qnn s THR 31 Cb 0.07 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.16 2qnn s THR 31 CO 0.18 0.33 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 2qnn s VAL 32 N 1.25 1.06 0.11 3.82 1.01 -0.51 -1.04 120.40 126.11 2qnn s VAL 32 Ca 0.07 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2qnn s VAL 32 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2qnn s VAL 32 CO 0.06 0.27 -0.07 -0.76 0.00 0.00 0.00 175.10 174.60 2qnn s LEU 33 N 1.68 3.16 0.74 3.92 1.43 0.71 -0.78 118.68 129.54 2qnn s LEU 33 Ca 0.03 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2qnn s LEU 33 Cb -0.14 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2qnn s LEU 33 CO -0.08 0.17 1.11 -0.62 0.23 0.00 0.00 176.35 177.16 2qnn n GLU 34 N 0.56 0.51 -1.61 1.70 1.02 -1.26 -1.75 120.64 119.82 2qnn n GLU 34 Ca -0.12 0.24 -0.58 0.00 -0.02 0.00 0.00 57.16 56.68 2qnn n GLU 34 Cb 0.53 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.51 2qnn n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qnn n GLU 35 N -2.37 0.60 -3.65 3.49 4.07 -1.26 -4.72 120.64 116.80 2qnn n GLU 35 Ca 0.14 0.22 -0.08 0.00 -0.06 0.00 0.00 57.16 57.37 2qnn n GLU 35 Cb 0.49 -1.80 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 2qnn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qnn s MET 36 N 1.23 1.41 -0.11 5.31 0.23 -1.26 -5.08 119.30 121.03 2qnn s MET 36 Ca 0.92 -0.68 -0.16 0.00 -1.03 0.00 0.00 55.69 54.74 2qnn s MET 36 Cb -1.16 0.55 -0.05 0.00 -1.53 0.00 0.00 34.83 32.64 2qnn s MET 36 CO 0.59 -0.64 0.41 -1.12 -2.03 0.00 0.00 175.02 172.23 2qnn s SER 37 N -2.81 6.63 0.11 -1.18 0.01 -1.26 -5.08 113.70 110.12 2qnn s SER 37 Ca 0.07 0.75 0.06 0.00 1.31 0.00 0.00 55.95 58.13 2qnn s SER 37 Cb -0.03 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2qnn s SER 37 CO -0.03 0.08 -0.14 -0.76 0.41 0.00 0.00 173.24 172.81 2qnn s LEU 38 N 0.31 2.38 0.69 2.44 1.43 -1.26 -4.98 118.68 119.69 2qnn s LEU 38 Ca 0.23 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 2qnn s LEU 38 Cb -0.15 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.56 2qnn s LEU 38 CO 0.09 -0.15 1.06 -2.16 0.23 0.00 0.00 176.35 175.42 2qnn s PRO 39 N -2.53 2.92 1.70 1.29 0.04 -1.26 -4.95 135.00 132.21 2qnn s PRO 39 Ca 0.07 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2qnn s PRO 39 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2qnn s PRO 39 CO 0.03 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2qnn n GLY 40 N -1.87 -1.58 3.91 0.56 0.00 -1.26 -4.89 105.19 100.05 2qnn n GLY 40 Ca 0.08 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2qnn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qnn s ARG 41 N 0.00 3.60 0.31 1.61 0.52 -1.26 -5.12 118.95 118.60 2qnn s ARG 41 Ca 0.00 -0.10 0.11 0.00 -0.52 0.00 0.00 55.73 55.21 2qnn s ARG 41 Cb 0.00 -2.71 -0.06 0.00 0.52 0.00 0.00 34.95 32.71 2qnn s ARG 41 CO 0.00 0.27 -0.15 1.67 0.02 0.00 0.00 175.30 177.11 2qnn s TRP 42 N -2.01 2.32 0.14 -0.53 1.48 -1.26 -4.62 118.94 114.45 2qnn s TRP 42 Ca 0.42 -0.42 0.09 0.00 -1.06 0.00 0.00 56.10 55.13 2qnn s TRP 42 Cb -0.11 -1.16 -0.04 0.00 -1.16 0.00 0.00 33.47 31.00 2qnn s TRP 42 CO 0.30 0.64 -0.20 0.15 -4.06 0.00 0.00 176.95 173.78 2qnn s LYS 43 N -3.56 1.22 0.40 3.25 -0.14 -0.50 -4.91 119.74 115.50 2qnn s LYS 43 Ca 0.31 -1.30 -0.23 0.00 -1.36 0.00 0.00 55.97 53.38 2qnn s LYS 43 Cb -0.01 -1.39 -0.10 0.00 -1.68 0.00 0.00 37.83 34.65 2qnn s LYS 43 CO 0.15 0.30 0.98 -1.25 -0.76 0.00 0.00 175.35 174.78 2qnn s PRO 44 N -2.39 4.25 -0.09 -1.68 0.04 -1.26 -0.55 135.00 133.32 2qnn s PRO 44 Ca 0.12 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 2qnn s PRO 44 Cb -0.08 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2qnn s PRO 44 CO 0.06 -0.03 0.22 0.21 0.04 0.00 0.00 177.00 177.50 2qnn s LYS 45 N -2.72 0.24 -0.19 4.56 2.20 -1.08 -4.84 119.74 117.91 2qnn s LYS 45 Ca 0.59 0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 56.48 2qnn s LYS 45 Cb -0.16 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 2qnn s LYS 45 CO 0.20 -0.07 0.08 -1.64 -0.36 0.00 0.00 175.35 173.57 2qnn s MET 46 N 0.44 4.04 0.01 4.03 -1.94 -1.26 -1.00 119.30 123.61 2qnn s MET 46 Ca -0.03 -0.31 0.07 0.00 -1.71 0.00 0.00 55.69 53.71 2qnn s MET 46 Cb -0.04 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.51 2qnn s MET 46 CO -0.02 0.28 -0.21 0.96 -0.01 0.00 0.00 175.02 176.02 2qnn s ILE 47 N 0.38 1.68 -0.29 2.53 -4.36 -0.40 -4.95 121.20 115.78 2qnn s ILE 47 Ca 0.04 -1.02 -0.19 0.00 -0.26 0.00 0.00 60.65 59.23 2qnn s ILE 47 Cb -0.12 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 2qnn s ILE 47 CO -0.00 0.37 0.57 -0.83 0.24 0.00 0.00 174.94 175.29 2qnn s GLY 48 N -0.75 1.81 0.00 6.27 0.00 -1.26 -1.29 107.32 112.09 2qnn s GLY 48 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2qnn s GLY 48 CO 0.00 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.06 2qnn n GLY 49 N 4.43 3.96 0.30 0.20 0.00 0.00 -4.97 105.19 109.11 2qnn n GLY 49 Ca -0.03 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.90 2qnn n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qnn h ILE 50 N 0.52 1.05 -0.00 -0.61 6.09 -2.03 -3.17 117.51 119.35 2qnn h ILE 50 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2qnn h ILE 50 Cb 0.00 0.64 0.00 0.00 0.47 0.00 0.00 36.82 37.93 2qnn h ILE 50 CO 0.00 0.07 -0.64 0.61 -3.07 0.00 0.00 178.15 175.12 2qnn n GLY 51 N -1.50 -0.38 0.00 8.18 0.00 -1.26 -5.07 105.19 105.16 2qnn n GLY 51 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2qnn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnn n GLY 52 N 1.33 -1.90 3.86 -0.02 0.00 -1.20 -5.11 105.19 102.15 2qnn n GLY 52 Ca 0.04 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 2qnn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnn s PHE 53 N -2.22 3.64 0.07 1.61 0.40 -1.26 -0.82 117.98 119.41 2qnn s PHE 53 Ca 0.00 0.75 0.01 0.00 -0.60 0.00 0.00 56.93 57.09 2qnn s PHE 53 Cb 0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2qnn s PHE 53 CO 0.00 0.65 -0.06 0.96 0.70 0.00 0.00 175.22 177.47 2qnn s ILE 54 N -1.15 0.52 0.01 0.64 -4.36 -0.41 -4.94 121.20 111.50 2qnn s ILE 54 Ca 0.23 -1.61 -0.25 0.00 -0.26 0.00 0.00 60.65 58.76 2qnn s ILE 54 Cb -0.14 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.26 2qnn s ILE 54 CO 0.12 -0.74 0.77 -0.54 0.24 0.00 0.00 174.94 174.79 2qnn s LYS 55 N -3.08 4.49 0.30 0.37 1.02 -1.26 -1.28 119.74 120.31 2qnn s LYS 55 Ca 0.03 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.11 2qnn s LYS 55 Cb 0.01 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 2qnn s LYS 55 CO -0.04 0.19 0.07 0.14 -0.92 0.00 0.00 175.35 174.79 2qnn s VAL 56 N 0.29 0.96 -0.20 3.17 -7.23 -0.17 -4.84 120.40 112.38 2qnn s VAL 56 Ca 0.40 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 2qnn s VAL 56 Cb -0.20 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 2qnn s VAL 56 CO 0.22 0.00 0.37 -0.13 -0.31 0.00 0.00 175.10 175.26 2qnn s ARG 57 N -3.94 4.17 -0.27 4.82 0.52 -0.61 -2.63 118.95 121.02 2qnn s ARG 57 Ca 0.37 0.16 -0.10 0.00 -0.52 0.00 0.00 55.73 55.63 2qnn s ARG 57 Cb 0.08 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2qnn s ARG 57 CO 0.15 -0.01 0.17 -1.14 0.02 0.00 0.00 175.30 174.48 2qnn s GLN 58 N 1.23 3.91 -0.14 3.54 0.74 0.29 -0.87 119.66 128.37 2qnn s GLN 58 Ca 0.18 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 55.23 2qnn s GLN 58 Cb -0.15 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 2qnn s GLN 58 CO 0.07 -0.15 -0.08 0.71 -0.55 0.00 0.00 175.29 175.29 2qnn s TYR 59 N 1.66 2.92 0.12 1.67 1.51 -0.36 -1.41 117.35 123.46 2qnn s TYR 59 Ca 0.07 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 2qnn s TYR 59 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2qnn s TYR 59 CO 0.09 -0.11 0.12 -0.51 -1.11 0.00 0.00 175.55 174.03 2qnn s ASP 60 N 0.32 5.59 -1.32 2.29 1.01 -1.26 -0.92 116.67 122.37 2qnn s ASP 60 Ca -0.07 -0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.12 2qnn s ASP 60 Cb -0.15 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.29 2qnn s ASP 60 CO 0.04 0.12 0.79 1.67 0.21 0.00 0.00 175.17 178.00 2qnn n GLN 61 N 0.01 -5.30 -3.40 8.23 7.27 -1.12 -4.91 117.38 118.16 2qnn n GLN 61 Ca -0.08 0.65 -0.38 0.00 0.07 0.00 0.00 57.00 57.26 2qnn n GLN 61 Cb 0.53 -5.32 -0.06 0.00 2.41 0.00 0.00 30.24 27.80 2qnn n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2qnn s ILE 62 N -3.58 5.14 0.02 1.69 -1.09 -0.21 -4.71 121.20 118.46 2qnn s ILE 62 Ca 0.10 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.10 2qnn s ILE 62 Cb -0.05 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 2qnn s ILE 62 CO 0.80 0.42 1.18 -0.76 -1.23 0.00 0.00 174.94 175.35 2qnn s LEU 63 N 0.02 4.34 -0.10 2.97 1.02 -1.26 -1.48 118.68 124.19 2qnn s LEU 63 Ca 0.24 1.92 -0.08 0.00 0.02 0.00 0.00 54.13 56.23 2qnn s LEU 63 Cb -0.15 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.52 2qnn s LEU 63 CO 0.11 -0.49 0.26 -0.51 0.02 0.00 0.00 176.35 175.74 2qnn s ILE 64 N 1.42 -0.02 -0.12 -0.59 2.07 -0.44 -4.44 121.20 119.09 2qnn s ILE 64 Ca 0.57 0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.85 2qnn s ILE 64 Cb -0.27 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 2qnn s ILE 64 CO 0.27 0.02 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.57 2qnn s GLU 65 N 0.60 3.28 -0.22 3.50 2.12 -0.08 -0.88 118.70 127.02 2qnn s GLU 65 Ca -0.04 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.77 2qnn s GLU 65 Cb -0.05 -2.78 0.05 0.00 0.26 0.00 0.00 34.13 31.62 2qnn s GLU 65 CO -0.03 0.43 -0.07 0.42 -0.54 0.00 0.00 175.26 175.47 2qnn s ILE 66 N -0.15 1.52 -1.62 -3.70 1.01 -0.03 -0.63 121.20 117.60 2qnn s ILE 66 Ca 0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.41 2qnn s ILE 66 Cb -0.13 -1.72 0.12 0.00 0.01 0.00 0.00 42.46 40.74 2qnn s ILE 66 CO 0.03 -0.01 0.90 0.00 0.00 0.00 0.00 174.94 175.86 2qnn n GLY 68 N -1.55 1.86 3.68 0.00 0.00 -1.26 -5.01 105.19 102.91 2qnn n GLY 68 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2qnn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qnn s HIS 69 N -3.56 3.39 0.24 1.61 4.02 0.13 -5.06 115.29 116.07 2qnn s HIS 69 Ca 0.00 0.59 -0.28 0.00 1.02 0.00 0.00 55.06 56.38 2qnn s HIS 69 Cb 0.00 -2.47 -0.09 0.00 -1.02 0.00 0.00 32.58 29.00 2qnn s HIS 69 CO 0.00 0.05 0.91 0.15 1.02 0.00 0.00 174.74 176.88 2qnn s LYS 70 N 1.09 4.75 0.05 1.40 1.02 -1.26 -0.85 119.74 125.94 2qnn s LYS 70 Ca 0.18 1.40 -0.01 0.00 0.02 0.00 0.00 55.97 57.55 2qnn s LYS 70 Cb -0.14 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2qnn s LYS 70 CO 0.07 0.48 -0.01 0.00 -0.92 0.00 0.00 175.35 174.96 2qnn s ALA 71 N -1.27 0.41 -0.20 5.17 0.00 -0.06 -4.83 121.76 120.99 2qnn s ALA 71 Ca 0.42 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2qnn s ALA 71 Cb -0.24 0.27 0.09 0.00 0.00 0.00 0.00 23.12 23.24 2qnn s ALA 71 CO 0.29 -0.35 0.20 0.42 0.00 0.00 0.00 175.76 176.32 2qnn s ILE 72 N -3.62 -0.28 0.00 0.00 1.01 -1.26 -1.33 121.20 115.73 2qnn s ILE 72 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2qnn s ILE 72 Cb 0.06 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2qnn s ILE 72 CO -0.09 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2qnn n GLY 73 N 5.31 1.57 3.72 6.18 0.00 -0.55 -4.80 105.19 116.62 2qnn n GLY 73 Ca -0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2qnn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qnn s THR 74 N -2.59 4.79 -0.10 2.61 2.01 -1.26 -1.04 115.64 120.07 2qnn s THR 74 Ca 0.00 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.98 2qnn s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2qnn s THR 74 CO 0.00 0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.29 2qnn s VAL 75 N 0.67 1.59 -0.01 3.82 1.01 -0.10 -4.55 120.40 122.83 2qnn s VAL 75 Ca 0.48 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2qnn s VAL 75 Cb -0.21 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2qnn s VAL 75 CO 0.27 0.46 0.25 -0.76 0.00 0.00 0.00 175.10 175.31 2qnn s LEU 76 N 0.72 4.38 -0.10 3.92 1.43 -0.21 -1.22 118.68 127.59 2qnn s LEU 76 Ca -0.12 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2qnn s LEU 76 Cb -0.16 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2qnn s LEU 76 CO 0.03 0.27 -0.16 -0.69 0.23 0.00 0.00 176.35 176.03 2qnn s VAL 77 N -1.27 1.52 -0.05 -1.59 1.01 -0.04 -0.21 120.40 119.77 2qnn s VAL 77 Ca 0.26 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2qnn s VAL 77 Cb -0.13 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 34.93 2qnn s VAL 77 CO 0.15 0.44 0.66 0.61 0.00 0.00 0.00 175.10 176.96 2qnn n GLY 78 N 4.00 0.24 3.57 4.51 0.00 -0.71 -1.57 105.19 115.21 2qnn n GLY 78 Ca -0.20 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 2qnn n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qnn s PRO 79 N -2.00 3.32 0.05 1.61 0.04 -1.26 -4.19 135.00 132.57 2qnn s PRO 79 Ca 0.16 -1.09 0.04 0.00 0.04 0.00 0.00 61.00 60.15 2qnn s PRO 79 Cb -0.00 -5.31 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 2qnn s PRO 79 CO -0.01 -2.65 -0.02 -0.08 0.04 0.00 0.00 177.00 174.27 2qnn s THR 80 N 6.58 3.93 0.53 1.26 -1.32 -1.26 -5.02 115.64 120.33 2qnn s THR 80 Ca 0.55 -0.88 0.23 0.00 -1.21 0.00 0.00 61.69 60.38 2qnn s THR 80 Cb -0.01 -2.81 0.30 0.00 -1.51 0.00 0.00 72.50 68.47 2qnn s THR 80 CO -0.03 0.23 2.16 1.55 -2.21 0.00 0.00 174.62 176.33 2qnn h PRO 81 N 3.87 0.00 -2.42 7.08 0.13 -1.97 -3.44 132.00 135.24 2qnn h PRO 81 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2qnn h PRO 81 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2qnn h PRO 81 CO 0.57 0.04 0.19 0.54 -0.23 0.00 0.00 178.00 179.12 2qnn s VAL 82 N -4.72 0.00 0.19 1.56 0.11 -1.26 -5.12 120.40 111.16 2qnn s VAL 82 Ca -0.05 -0.01 -0.33 0.00 -2.93 0.00 0.00 61.98 58.67 2qnn s VAL 82 Cb 0.16 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2qnn s VAL 82 CO 0.61 -0.00 1.59 0.59 -3.33 0.00 0.00 175.10 174.56 2qnn n ASN 83 N 0.38 3.33 -4.10 3.54 3.02 -1.26 -4.79 115.26 115.38 2qnn n ASN 83 Ca -0.18 1.09 -0.29 0.00 -0.03 0.00 0.00 54.58 55.17 2qnn n ASN 83 Cb 0.60 -1.48 -0.17 0.00 -0.61 0.00 0.00 39.78 38.13 2qnn n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qnn s ILE 84 N 0.78 1.64 -0.39 2.41 1.01 0.04 -0.68 121.20 126.02 2qnn s ILE 84 Ca 0.75 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 2qnn s ILE 84 Cb -0.62 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2qnn s ILE 84 CO 0.39 0.47 0.27 -0.63 0.00 0.00 0.00 174.94 175.44 2qnn s ILE 85 N 0.81 5.17 0.54 2.92 -1.09 0.07 -1.42 121.20 128.20 2qnn s ILE 85 Ca -0.10 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 57.84 2qnn s ILE 85 Cb -0.16 -3.82 0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2qnn s ILE 85 CO 0.01 -0.21 0.74 0.61 -1.23 0.00 0.00 174.94 174.86 2qnn n GLY 86 N 5.12 1.82 0.25 6.18 0.00 -1.18 -1.19 105.19 116.20 2qnn n GLY 86 Ca -0.12 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.78 2qnn n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qnn h ARG 87 N 0.00 0.03 -0.71 1.61 3.08 -0.88 -1.37 114.38 116.14 2qnn h ARG 87 Ca -0.25 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.85 2qnn h ARG 87 Cb 1.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2qnn h ARG 87 CO 0.35 0.08 0.47 -2.95 -1.07 0.00 0.00 179.97 176.85 2qnn h ASN 88 N 0.03 0.67 0.08 7.04 -1.07 -1.71 -0.67 115.58 119.95 2qnn h ASN 88 Ca 0.01 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.14 2qnn h ASN 88 Cb 0.11 -0.15 -0.04 0.00 -2.07 0.00 0.00 38.32 36.17 2qnn h ASN 88 CO 0.01 0.44 -2.17 0.18 0.07 0.00 0.00 177.43 175.96 2qnn n LEU 89 N -4.47 0.10 -0.20 6.14 4.77 -0.79 -3.86 117.00 118.68 2qnn n LEU 89 Ca 0.10 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 2qnn n LEU 89 Cb 0.20 0.30 0.29 0.00 -2.33 0.00 0.00 43.42 41.89 2qnn n LEU 89 CO 0.34 0.31 1.23 -0.07 -1.33 0.00 0.00 177.39 177.87 2qnn h LEU 90 N 0.00 0.77 -0.63 2.23 3.38 -1.11 -1.94 115.31 118.01 2qnn h LEU 90 Ca -0.34 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2qnn h LEU 90 Cb 1.80 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2qnn h LEU 90 CO 0.02 0.53 -0.01 0.74 0.09 0.00 0.00 178.44 179.81 2qnn h THR 91 N 0.90 1.27 -0.30 0.22 2.02 -1.28 -0.60 112.91 115.13 2qnn h THR 91 Ca 0.30 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2qnn h THR 91 Cb 0.07 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2qnn h THR 91 CO -0.09 0.42 0.02 1.56 0.37 0.00 0.00 175.52 177.81 2qnn h GLN 92 N 0.97 0.44 -0.10 6.66 4.20 -1.48 -2.02 115.11 123.78 2qnn h GLN 92 Ca 0.17 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2qnn h GLN 92 Cb 0.57 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2qnn h GLN 92 CO 0.03 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.09 2qnn n ILE 93 N -4.32 0.12 -1.63 2.54 -5.35 -0.93 -4.93 119.36 104.86 2qnn n ILE 93 Ca 0.01 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2qnn n ILE 93 Cb 0.21 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 2qnn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qnn n GLY 94 N 1.16 0.51 3.75 3.28 0.00 -0.76 -5.03 105.19 108.10 2qnn n GLY 94 Ca 0.17 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 2qnn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnn s THR 96 N -0.86 1.00 -0.03 0.00 -4.23 -1.26 -4.68 115.64 105.58 2qnn s THR 96 Ca 0.42 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.79 2qnn s THR 96 Cb -0.25 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2qnn s THR 96 CO 0.30 -0.78 0.37 -0.76 -0.54 0.00 0.00 174.62 173.21 2qnn s LEU 97 N -3.09 4.45 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.90 2qnn s LEU 97 Ca 0.14 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2qnn s LEU 97 Cb 0.03 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2qnn s LEU 97 CO -0.01 0.32 -0.00 0.20 0.23 0.00 0.00 176.35 177.08 2qnn s ASN 98 N -0.96 0.17 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.03 2qnn s ASN 98 Ca 0.22 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.50 2qnn s ASN 98 Cb -0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 2qnn s ASN 98 CO 0.12 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.84