#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qd6 s GLN 2 N 0.00 3.34 -0.26 0.54 0.74 -1.26 -5.10 119.66 117.66 2qd6 s GLN 2 Ca 0.00 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 54.71 2qd6 s GLN 2 Cb 0.00 -2.95 -0.00 0.00 1.10 0.00 0.00 33.01 31.16 2qd6 s GLN 2 CO 0.00 -0.18 0.03 0.42 -0.55 0.00 0.00 175.29 175.01 2qd6 s ILE 3 N 1.42 3.78 0.83 -2.34 1.01 -1.26 -5.10 121.20 119.54 2qd6 s ILE 3 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2qd6 s ILE 3 Cb -0.14 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.58 2qd6 s ILE 3 CO -0.04 0.24 1.18 0.42 0.00 0.00 0.00 174.94 176.74 2qd6 s THR 4 N 1.50 2.04 -0.15 2.92 -4.23 -1.26 -5.00 115.64 111.47 2qd6 s THR 4 Ca 0.04 -0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 2qd6 s THR 4 Cb -0.16 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.03 2qd6 s THR 4 CO 0.01 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.46 2qd6 n LEU 5 N -3.35 2.61 0.16 4.79 4.77 -1.26 -4.53 117.00 120.18 2qd6 n LEU 5 Ca 0.10 -3.16 0.06 0.00 -0.03 0.00 0.00 56.01 52.97 2qd6 n LEU 5 Cb 0.61 -0.46 0.53 0.00 -2.33 0.00 0.00 43.42 41.77 2qd6 n LEU 5 CO 0.53 0.78 1.07 -0.50 -1.33 0.00 0.00 177.39 177.94 2qd6 h TRP 6 N 0.33 0.20 -2.73 -1.77 4.06 -2.06 -3.44 115.95 110.55 2qd6 h TRP 6 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.48 2qd6 h TRP 6 Cb 1.07 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.02 2qd6 h TRP 6 CO 0.15 0.16 -0.68 -1.59 -3.56 0.00 0.00 178.44 172.92 2qd6 s LYS 7 N -5.14 1.51 0.26 0.49 -2.85 -1.26 -5.11 119.74 107.63 2qd6 s LYS 7 Ca -0.06 -1.76 -0.31 0.00 -1.00 0.00 0.00 55.97 52.84 2qd6 s LYS 7 Cb 0.17 -1.10 -0.13 0.00 -2.06 0.00 0.00 37.83 34.71 2qd6 s LYS 7 CO 0.70 0.04 1.51 0.54 0.10 0.00 0.00 175.35 178.23 2qd6 n ARG 8 N -0.55 2.34 -2.40 1.78 1.74 -1.26 -4.87 116.66 113.44 2qd6 n ARG 8 Ca -0.06 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 2qd6 n ARG 8 Cb 0.63 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 2qd6 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qd6 n PRO 9 N 2.24 3.16 -3.25 5.56 -0.04 -1.26 -4.95 135.00 136.45 2qd6 n PRO 9 Ca 0.11 -3.20 -0.39 0.00 -0.04 0.00 0.00 63.50 59.98 2qd6 n PRO 9 Cb 0.34 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 2qd6 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qd6 s LEU 10 N 3.11 4.44 0.18 1.53 1.43 -1.26 -1.23 118.68 126.88 2qd6 s LEU 10 Ca 0.50 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2qd6 s LEU 10 Cb 0.06 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2qd6 s LEU 10 CO 0.02 0.16 -0.02 0.68 0.23 0.00 0.00 176.35 177.42 2qd6 s VAL 11 N -0.44 0.85 0.00 -1.59 -7.23 0.35 -4.96 120.40 107.38 2qd6 s VAL 11 Ca 0.30 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 2qd6 s VAL 11 Cb -0.18 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 2qd6 s VAL 11 CO 0.17 -0.50 0.69 -0.89 -0.31 0.00 0.00 175.10 174.26 2qd6 s THR 12 N -3.54 4.87 0.20 5.32 2.01 -1.26 -1.05 115.64 122.19 2qd6 s THR 12 Ca 0.23 1.46 0.09 0.00 0.31 0.00 0.00 61.69 63.78 2qd6 s THR 12 Cb 0.05 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2qd6 s THR 12 CO 0.04 0.35 -0.18 0.27 -0.69 0.00 0.00 174.62 174.42 2qd6 s ILE 13 N 0.12 1.96 -0.14 1.82 -4.36 0.42 -1.51 121.20 119.51 2qd6 s ILE 13 Ca 0.36 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2qd6 s ILE 13 Cb -0.19 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.53 2qd6 s ILE 13 CO 0.20 -0.40 -0.18 -0.75 0.24 0.00 0.00 174.94 174.05 2qd6 s LYS 14 N -3.17 2.59 -0.07 0.37 2.20 -0.14 -1.14 119.74 120.37 2qd6 s LYS 14 Ca 0.21 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2qd6 s LYS 14 Cb -0.04 -2.22 0.03 0.00 -1.51 0.00 0.00 37.83 34.09 2qd6 s LYS 14 CO 0.08 -0.12 0.17 -1.50 -0.36 0.00 0.00 175.35 173.62 2qd6 s ILE 15 N 1.13 -0.02 -1.30 5.43 2.07 -0.33 -1.21 121.20 126.96 2qd6 s ILE 15 Ca -0.02 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 2qd6 s ILE 15 Cb -0.14 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.21 2qd6 s ILE 15 CO -0.06 0.04 0.25 0.61 -1.91 0.00 0.00 174.94 173.87 2qd6 n GLY 16 N 3.64 -0.50 2.72 1.50 0.00 -1.26 -0.74 105.19 110.55 2qd6 n GLY 16 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2qd6 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qd6 n GLY 17 N -1.07 0.84 3.49 -0.02 0.00 -1.26 -5.03 105.19 102.14 2qd6 n GLY 17 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2qd6 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qd6 s GLN 18 N -0.02 3.08 -0.06 1.61 -0.21 0.09 -5.11 119.66 119.03 2qd6 s GLN 18 Ca 0.00 -0.60 -0.23 0.00 0.02 0.00 0.00 55.36 54.55 2qd6 s GLN 18 Cb 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 2qd6 s GLN 18 CO 0.00 0.44 0.67 -0.51 -2.12 0.00 0.00 175.29 173.77 2qd6 s LEU 19 N -0.23 4.32 0.10 2.90 1.43 -1.26 -1.19 118.68 124.76 2qd6 s LEU 19 Ca 0.02 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2qd6 s LEU 19 Cb -0.13 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2qd6 s LEU 19 CO 0.03 -0.08 -0.01 -0.54 0.23 0.00 0.00 176.35 175.98 2qd6 s LYS 20 N 0.67 0.83 -0.10 1.70 1.02 -0.30 -4.99 119.74 118.57 2qd6 s LYS 20 Ca 0.36 -1.36 -0.10 0.00 0.02 0.00 0.00 55.97 54.88 2qd6 s LYS 20 Cb -0.18 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.13 2qd6 s LYS 20 CO 0.17 -0.13 0.23 -1.21 -0.92 0.00 0.00 175.35 173.49 2qd6 s GLU 21 N -3.94 3.78 0.05 1.68 0.41 -1.26 -0.43 118.70 118.99 2qd6 s GLU 21 Ca 0.16 0.04 -0.06 0.00 -0.41 0.00 0.00 54.97 54.69 2qd6 s GLU 21 Cb 0.07 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 2qd6 s GLU 21 CO -0.03 0.62 0.12 0.00 -0.49 0.00 0.00 175.26 175.47 2qd6 s ALA 22 N -0.64 -0.07 -0.22 5.21 0.00 -0.22 -4.48 121.76 121.34 2qd6 s ALA 22 Ca 0.17 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 2qd6 s ALA 22 Cb -0.13 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2qd6 s ALA 22 CO 0.06 -0.38 0.47 -0.51 0.00 0.00 0.00 175.76 175.39 2qd6 s LEU 23 N -2.43 4.12 -0.47 0.00 1.43 -0.12 -0.50 118.68 120.71 2qd6 s LEU 23 Ca -0.01 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 2qd6 s LEU 23 Cb 0.02 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2qd6 s LEU 23 CO -0.07 -0.17 1.31 -0.76 0.23 0.00 0.00 176.35 176.89 2qd6 s LEU 24 N 1.69 3.56 -0.34 1.79 1.43 -0.36 -0.55 118.68 125.89 2qd6 s LEU 24 Ca 0.21 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2qd6 s LEU 24 Cb -0.15 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.73 2qd6 s LEU 24 CO 0.09 -1.43 0.09 -0.62 0.23 0.00 0.00 176.35 174.71 2qd6 s ASP 25 N 3.48 4.39 0.50 2.29 -1.08 -0.28 -4.80 116.67 121.17 2qd6 s ASP 25 Ca 0.54 -2.01 0.33 0.00 -0.52 0.00 0.00 52.55 50.89 2qd6 s ASP 25 Cb -0.11 -1.29 1.43 0.00 -1.46 0.00 0.00 42.92 41.50 2qd6 s ASP 25 CO 0.31 -0.38 1.97 0.71 0.52 0.00 0.00 175.17 178.30 2qd6 h THR 26 N 6.44 0.00 -0.00 1.71 1.35 -1.94 -2.24 112.91 118.23 2qd6 h THR 26 Ca -0.08 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2qd6 h THR 26 Cb 1.01 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2qd6 h THR 26 CO 0.51 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.30 2qd6 n GLY 27 N -0.18 -0.95 3.59 5.82 0.00 -1.26 -4.80 105.19 107.41 2qd6 n GLY 27 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2qd6 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qd6 s ALA 28 N -2.43 3.48 0.26 4.61 0.00 -0.84 -4.97 121.76 121.87 2qd6 s ALA 28 Ca 0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2qd6 s ALA 28 Cb 0.20 -2.31 0.34 0.00 0.00 0.00 0.00 23.12 21.35 2qd6 s ALA 28 CO 0.46 -0.36 1.71 -0.44 0.00 0.00 0.00 175.76 177.14 2qd6 h ASP 29 N 7.91 0.65 -2.47 0.00 3.32 -1.87 0.88 116.42 124.84 2qd6 h ASP 29 Ca -0.37 -0.20 -0.57 0.00 0.02 0.00 0.00 57.03 55.92 2qd6 h ASP 29 Cb 1.18 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 2qd6 h ASP 29 CO 0.60 0.82 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.38 2qd6 s ASP 30 N -6.74 3.32 -0.17 6.45 1.01 -1.26 -2.71 116.67 116.56 2qd6 s ASP 30 Ca -0.08 -1.03 -0.16 0.00 0.71 0.00 0.00 52.55 51.99 2qd6 s ASP 30 Cb 0.14 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 2qd6 s ASP 30 CO 0.81 -0.02 0.39 -0.89 0.21 0.00 0.00 175.17 175.67 2qd6 s THR 31 N -2.64 5.22 -0.08 -1.27 2.01 -1.26 -3.50 115.64 114.12 2qd6 s THR 31 Ca 0.28 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 63.01 2qd6 s THR 31 Cb -0.04 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2qd6 s THR 31 CO 0.13 0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.63 2qd6 s VAL 32 N 0.91 0.70 0.06 3.82 1.01 -0.32 -0.99 120.40 125.59 2qd6 s VAL 32 Ca 0.20 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2qd6 s VAL 32 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2qd6 s VAL 32 CO 0.07 0.30 -0.25 -0.63 0.00 0.00 0.00 175.10 174.60 2qd6 s ILE 33 N 1.58 2.30 0.86 2.22 -1.09 0.19 -0.73 121.20 126.52 2qd6 s ILE 33 Ca 0.01 -1.40 -0.13 0.00 -2.23 0.00 0.00 60.65 56.90 2qd6 s ILE 33 Cb -0.13 -1.93 0.07 0.00 -1.58 0.00 0.00 42.46 38.89 2qd6 s ILE 33 CO -0.05 0.32 0.89 -0.62 -1.23 0.00 0.00 174.94 174.25 2qd6 n GLU 34 N 1.60 -0.06 -1.65 2.79 1.02 -1.26 -1.63 120.64 121.46 2qd6 n GLU 34 Ca -0.17 0.05 -0.48 0.00 -0.02 0.00 0.00 57.16 56.54 2qd6 n GLU 34 Cb 0.52 -2.18 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 2qd6 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qd6 n GLU 35 N -2.70 1.91 -3.45 3.49 -0.58 -1.21 -4.60 120.64 113.49 2qd6 n GLU 35 Ca 0.11 0.69 -0.11 0.00 -0.42 0.00 0.00 57.16 57.43 2qd6 n GLU 35 Cb 0.51 -2.43 -0.02 0.00 -0.57 0.00 0.00 31.44 28.93 2qd6 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qd6 s MET 36 N 1.00 1.09 0.14 3.49 0.23 -1.26 -5.04 119.30 118.95 2qd6 s MET 36 Ca 0.81 -0.40 -0.23 0.00 -1.03 0.00 0.00 55.69 54.84 2qd6 s MET 36 Cb -0.75 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 32.98 2qd6 s MET 36 CO 0.41 -0.48 0.71 -1.12 -2.03 0.00 0.00 175.02 172.51 2qd6 s SER 37 N -2.63 7.29 0.08 -1.18 0.01 -1.26 -5.02 113.70 110.98 2qd6 s SER 37 Ca 0.03 1.53 0.05 0.00 1.31 0.00 0.00 55.95 58.87 2qd6 s SER 37 Cb -0.01 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2qd6 s SER 37 CO -0.11 0.23 -0.15 -0.76 0.41 0.00 0.00 173.24 172.86 2qd6 s LEU 38 N -1.15 2.29 0.63 2.44 1.43 -1.26 -4.94 118.68 118.12 2qd6 s LEU 38 Ca 0.34 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2qd6 s LEU 38 Cb -0.22 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2qd6 s LEU 38 CO 0.24 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.63 2qd6 s PRO 39 N -1.85 3.33 0.26 1.29 0.04 -1.26 -4.94 135.00 131.87 2qd6 s PRO 39 Ca -0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2qd6 s PRO 39 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2qd6 s PRO 39 CO 0.02 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2qd6 n GLY 40 N -1.93 -1.87 3.88 0.56 0.00 -1.26 -4.98 105.19 99.60 2qd6 n GLY 40 Ca 0.07 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2qd6 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qd6 s ARG 41 N -0.04 3.40 0.18 1.61 0.52 -1.26 -5.08 118.95 118.28 2qd6 s ARG 41 Ca 0.00 0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 55.64 2qd6 s ARG 41 Cb 0.00 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 2qd6 s ARG 41 CO 0.00 -0.59 0.31 1.67 0.02 0.00 0.00 175.30 176.71 2qd6 s TRP 42 N -3.11 0.40 0.03 -0.53 1.48 -1.26 -4.42 118.94 111.53 2qd6 s TRP 42 Ca 0.54 -0.75 -0.01 0.00 -1.06 0.00 0.00 56.10 54.81 2qd6 s TRP 42 Cb -0.11 -0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.15 2qd6 s TRP 42 CO 0.51 -0.76 -0.01 -1.59 -4.06 0.00 0.00 176.95 171.04 2qd6 s LYS 43 N -3.98 0.46 0.52 3.25 -2.85 -0.73 -4.92 119.74 111.48 2qd6 s LYS 43 Ca 0.18 -0.86 -0.19 0.00 -1.00 0.00 0.00 55.97 54.11 2qd6 s LYS 43 Cb 0.03 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 2qd6 s LYS 43 CO 0.01 -0.08 1.05 -1.25 0.10 0.00 0.00 175.35 175.17 2qd6 s PRO 44 N -2.53 3.66 0.03 1.78 0.04 -1.26 -0.40 135.00 136.31 2qd6 s PRO 44 Ca -0.06 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 2qd6 s PRO 44 Cb -0.02 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2qd6 s PRO 44 CO -0.05 -0.55 0.27 0.21 0.04 0.00 0.00 177.00 176.92 2qd6 s LYS 45 N -3.49 0.75 -0.11 4.56 2.20 -0.45 -4.84 119.74 118.36 2qd6 s LYS 45 Ca 0.66 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.79 2qd6 s LYS 45 Cb -0.16 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2qd6 s LYS 45 CO 0.25 -0.23 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.25 2qd6 s MET 46 N -2.34 3.13 0.03 4.03 -1.94 -1.26 -0.95 119.30 120.00 2qd6 s MET 46 Ca -0.07 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 2qd6 s MET 46 Cb -0.02 -2.58 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 2qd6 s MET 46 CO -0.02 0.36 -0.16 0.96 -0.01 0.00 0.00 175.02 176.15 2qd6 s ILE 47 N -0.02 1.28 0.09 2.53 -4.36 -0.61 -4.96 121.20 115.15 2qd6 s ILE 47 Ca -0.03 -0.96 0.08 0.00 -0.26 0.00 0.00 60.65 59.48 2qd6 s ILE 47 Cb -0.14 -1.12 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 2qd6 s ILE 47 CO 0.04 0.15 -0.20 -0.83 0.24 0.00 0.00 174.94 174.33 2qd6 s GLY 48 N -0.94 1.20 0.00 6.27 0.00 -1.26 -0.94 107.32 111.64 2qd6 s GLY 48 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2qd6 s GLY 48 CO 0.01 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.52 2qd6 n GLY 49 N 1.19 3.71 0.38 0.20 0.00 -0.16 -4.98 105.19 105.54 2qd6 n GLY 49 Ca -0.19 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 2qd6 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qd6 h VAL 50 N 0.05 0.09 -0.44 1.61 2.07 -2.04 -1.93 116.25 115.67 2qd6 h VAL 50 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qd6 h VAL 50 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2qd6 h VAL 50 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2qd6 n GLY 51 N -1.41 2.39 0.00 2.17 0.00 -1.26 -5.03 105.19 102.04 2qd6 n GLY 51 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2qd6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qd6 n GLY 52 N 0.62 -0.22 3.71 -0.02 0.00 -0.73 -5.07 105.19 103.49 2qd6 n GLY 52 Ca 0.20 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 2qd6 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qd6 s PHE 53 N 0.00 2.93 0.10 1.61 0.40 -1.26 -0.99 117.98 120.77 2qd6 s PHE 53 Ca 0.00 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 2qd6 s PHE 53 Cb 0.00 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 2qd6 s PHE 53 CO 0.00 0.53 -0.17 0.96 0.70 0.00 0.00 175.22 177.24 2qd6 s ILE 54 N -1.81 1.44 -0.03 0.64 -4.36 -0.12 -4.96 121.20 112.00 2qd6 s ILE 54 Ca 0.29 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.93 2qd6 s ILE 54 Cb -0.09 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 42.15 2qd6 s ILE 54 CO 0.20 -0.22 0.60 -0.75 0.24 0.00 0.00 174.94 175.01 2qd6 s LYS 55 N -2.11 4.34 0.22 0.37 2.20 -1.26 -1.57 119.74 121.94 2qd6 s LYS 55 Ca 0.05 0.72 0.04 0.00 -0.36 0.00 0.00 55.97 56.42 2qd6 s LYS 55 Cb -0.08 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2qd6 s LYS 55 CO 0.04 0.28 -0.03 0.14 -0.36 0.00 0.00 175.35 175.42 2qd6 s VAL 56 N 0.11 1.10 -0.20 4.02 -7.23 -0.12 -4.40 120.40 113.68 2qd6 s VAL 56 Ca 0.32 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 2qd6 s VAL 56 Cb -0.18 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2qd6 s VAL 56 CO 0.16 -0.40 0.11 -0.13 -0.31 0.00 0.00 175.10 174.53 2qd6 s ARG 57 N -3.83 4.10 -0.34 4.82 0.52 0.20 -1.34 118.95 123.09 2qd6 s ARG 57 Ca 0.26 -0.27 -0.14 0.00 -0.52 0.00 0.00 55.73 55.07 2qd6 s ARG 57 Cb 0.05 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 2qd6 s ARG 57 CO 0.07 0.27 0.30 -1.14 0.02 0.00 0.00 175.30 174.82 2qd6 s GLN 58 N 0.44 3.54 -0.15 3.54 0.74 0.46 -0.89 119.66 127.33 2qd6 s GLN 58 Ca 0.06 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.91 2qd6 s GLN 58 Cb -0.12 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2qd6 s GLN 58 CO -0.01 -0.48 -0.04 0.71 -0.55 0.00 0.00 175.29 174.93 2qd6 s TYR 59 N 1.86 3.02 0.25 1.67 1.51 -0.53 -1.78 117.35 123.34 2qd6 s TYR 59 Ca 0.09 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 2qd6 s TYR 59 Cb -0.17 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2qd6 s TYR 59 CO 0.11 -0.04 0.36 -0.51 -1.11 0.00 0.00 175.55 174.37 2qd6 s ASP 60 N 0.35 6.29 -1.25 2.29 1.01 -1.26 -0.80 116.67 123.29 2qd6 s ASP 60 Ca -0.04 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2qd6 s ASP 60 Cb -0.14 -1.82 -0.00 0.00 1.01 0.00 0.00 42.92 41.96 2qd6 s ASP 60 CO 0.03 -0.09 0.81 0.00 0.21 0.00 0.00 175.17 176.13 2qd6 n GLN 61 N -1.42 -5.18 -4.07 8.23 6.02 -1.17 -4.92 117.38 114.87 2qd6 n GLN 61 Ca -0.09 0.70 -0.35 0.00 -0.01 0.00 0.00 57.00 57.26 2qd6 n GLN 61 Cb 0.57 -5.39 -0.10 0.00 1.02 0.00 0.00 30.24 26.34 2qd6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qd6 s ILE 62 N -3.55 4.72 -0.04 5.09 -1.09 -0.04 -4.84 121.20 121.45 2qd6 s ILE 62 Ca 0.04 -0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.19 2qd6 s ILE 62 Cb -0.01 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 2qd6 s ILE 62 CO 0.78 0.50 0.59 -0.63 -1.23 0.00 0.00 174.94 174.95 2qd6 s ILE 63 N 0.09 4.99 -0.01 2.92 1.01 -1.26 -1.44 121.20 127.50 2qd6 s ILE 63 Ca 0.05 1.21 0.04 0.00 0.00 0.00 0.00 60.65 61.95 2qd6 s ILE 63 Cb -0.12 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 2qd6 s ILE 63 CO 0.01 0.37 -0.12 -0.63 0.00 0.00 0.00 174.94 174.57 2qd6 s ILE 64 N 0.14 0.99 -0.26 2.92 1.01 0.06 -4.50 121.20 121.56 2qd6 s ILE 64 Ca 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 2qd6 s ILE 64 Cb -0.17 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2qd6 s ILE 64 CO 0.16 0.28 0.25 -0.70 0.00 0.00 0.00 174.94 174.94 2qd6 s GLU 65 N -0.25 4.02 -0.25 2.79 2.12 -0.35 -0.83 118.70 125.96 2qd6 s GLU 65 Ca 0.04 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.24 2qd6 s GLU 65 Cb -0.05 -3.61 0.05 0.00 0.26 0.00 0.00 34.13 30.77 2qd6 s GLU 65 CO -0.00 -0.13 -0.12 0.42 -0.54 0.00 0.00 175.26 174.89 2qd6 s ILE 66 N 1.61 2.22 -1.68 -3.70 1.01 0.48 -0.97 121.20 120.17 2qd6 s ILE 66 Ca 0.11 -1.45 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 2qd6 s ILE 66 Cb -0.15 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.21 2qd6 s ILE 66 CO 0.09 0.09 0.45 0.00 0.00 0.00 0.00 174.94 175.57 2qd6 n ALA 67 N 4.49 -1.56 -0.30 9.38 0.00 -0.57 -0.41 120.51 131.54 2qd6 n ALA 67 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2qd6 n ALA 67 Cb 0.44 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2qd6 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qd6 n GLY 68 N -1.70 0.91 3.37 0.00 0.00 -1.26 -5.04 105.19 101.47 2qd6 n GLY 68 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qd6 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qd6 s HIS 69 N -2.75 2.88 0.11 1.61 4.02 0.46 -5.10 115.29 116.53 2qd6 s HIS 69 Ca 0.00 -0.67 -0.27 0.00 1.02 0.00 0.00 55.06 55.14 2qd6 s HIS 69 Cb 0.00 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.58 29.58 2qd6 s HIS 69 CO 0.00 -0.26 0.85 0.15 1.02 0.00 0.00 174.74 176.50 2qd6 s LYS 70 N 0.61 4.62 0.06 1.40 1.02 -1.26 -0.39 119.74 125.80 2qd6 s LYS 70 Ca -0.06 1.26 -0.05 0.00 0.02 0.00 0.00 55.97 57.13 2qd6 s LYS 70 Cb -0.15 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2qd6 s LYS 70 CO 0.03 0.35 0.09 0.00 -0.92 0.00 0.00 175.35 174.90 2qd6 s ALA 71 N -0.40 0.04 0.00 5.17 0.00 -0.01 -4.87 121.76 121.69 2qd6 s ALA 71 Ca 0.41 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.66 2qd6 s ALA 71 Cb -0.23 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2qd6 s ALA 71 CO 0.27 -0.40 -0.17 -1.50 0.00 0.00 0.00 175.76 173.96 2qd6 s ILE 72 N -3.44 1.32 -0.42 0.00 2.07 -1.26 -0.76 121.20 118.71 2qd6 s ILE 72 Ca 0.02 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 2qd6 s ILE 72 Cb 0.04 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.51 2qd6 s ILE 72 CO -0.08 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.84 2qd6 n GLY 73 N 2.44 -1.21 3.75 1.50 0.00 -0.52 -4.92 105.19 106.24 2qd6 n GLY 73 Ca -0.15 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 2qd6 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qd6 s THR 74 N -3.00 4.38 -0.07 2.61 2.01 -1.26 -0.86 115.64 119.44 2qd6 s THR 74 Ca 0.00 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.93 2qd6 s THR 74 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2qd6 s THR 74 CO 0.00 0.43 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.50 2qd6 s VAL 75 N -0.66 1.53 -0.10 3.82 1.01 0.02 -4.49 120.40 121.53 2qd6 s VAL 75 Ca 0.41 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2qd6 s VAL 75 Cb -0.24 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2qd6 s VAL 75 CO 0.28 0.44 0.23 -0.76 0.00 0.00 0.00 175.10 175.30 2qd6 s LEU 76 N 0.42 4.38 -0.12 3.92 1.43 -0.16 -1.45 118.68 127.10 2qd6 s LEU 76 Ca -0.14 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2qd6 s LEU 76 Cb -0.16 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2qd6 s LEU 76 CO 0.05 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.09 2qd6 s VAL 77 N -0.74 1.69 -0.51 -1.59 1.01 -0.07 -0.64 120.40 119.56 2qd6 s VAL 77 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2qd6 s VAL 77 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2qd6 s VAL 77 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2qd6 n GLY 78 N 4.14 -1.10 2.29 4.51 0.00 -0.64 -0.62 105.19 113.77 2qd6 n GLY 78 Ca -0.19 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 2qd6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qd6 n PRO 79 N 0.00 3.44 -2.55 1.61 -0.04 -1.26 -3.31 135.00 132.88 2qd6 n PRO 79 Ca 0.00 -2.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.86 2qd6 n PRO 79 Cb 0.00 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 30.86 2qd6 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qd6 s THR 80 N 0.93 3.68 -0.53 0.52 -1.32 -1.26 -4.96 115.64 112.71 2qd6 s THR 80 Ca 0.65 1.52 0.24 0.00 -1.21 0.00 0.00 61.69 62.89 2qd6 s THR 80 Cb 0.23 -3.90 0.25 0.00 -1.51 0.00 0.00 72.50 67.57 2qd6 s THR 80 CO -0.07 0.23 1.72 -0.81 -2.21 0.00 0.00 174.62 173.49 2qd6 n PRO 81 N 0.73 0.20 -3.75 7.08 -0.04 -1.26 -4.69 135.00 133.27 2qd6 n PRO 81 Ca 0.01 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.73 2qd6 n PRO 81 Cb 0.47 -1.86 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 2qd6 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qd6 s VAL 82 N -3.28 0.03 0.06 0.52 0.11 -1.26 -5.11 120.40 111.48 2qd6 s VAL 82 Ca 0.05 -0.27 -0.31 0.00 -2.93 0.00 0.00 61.98 58.52 2qd6 s VAL 82 Cb 0.10 -0.59 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 2qd6 s VAL 82 CO 0.42 -0.15 1.21 0.20 -3.33 0.00 0.00 175.10 173.45 2qd6 s ASN 83 N -0.74 7.06 -0.13 3.54 0.01 -1.26 -4.74 114.94 118.68 2qd6 s ASN 83 Ca -0.08 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.11 2qd6 s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2qd6 s ASN 83 CO 0.03 -0.49 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.33 2qd6 s ILE 84 N 1.10 1.74 -0.39 0.60 -1.09 0.09 -0.95 121.20 122.31 2qd6 s ILE 84 Ca 0.59 -0.77 -0.17 0.00 -2.23 0.00 0.00 60.65 58.06 2qd6 s ILE 84 Cb -0.30 -1.57 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 2qd6 s ILE 84 CO 0.29 0.49 0.46 -0.63 -1.23 0.00 0.00 174.94 174.32 2qd6 s ILE 85 N 1.04 5.06 0.57 2.92 -1.09 0.28 -1.18 121.20 128.81 2qd6 s ILE 85 Ca -0.04 -0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2qd6 s ILE 85 Cb -0.15 -3.98 0.10 0.00 -1.58 0.00 0.00 42.46 36.85 2qd6 s ILE 85 CO -0.04 -0.31 0.78 0.61 -1.23 0.00 0.00 174.94 174.75 2qd6 n GLY 86 N 4.98 1.49 0.30 6.18 0.00 -1.23 -1.12 105.19 115.80 2qd6 n GLY 86 Ca -0.06 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.90 2qd6 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qd6 h ARG 87 N 0.00 0.19 -0.34 1.61 3.08 -0.82 -0.85 114.38 117.24 2qd6 h ARG 87 Ca -0.26 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.86 2qd6 h ARG 87 Cb 1.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2qd6 h ARG 87 CO 0.34 0.12 0.24 -2.95 -1.07 0.00 0.00 179.97 176.65 2qd6 h ASN 88 N 0.19 0.09 0.00 7.04 -1.07 -1.78 -1.57 115.58 118.48 2qd6 h ASN 88 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.22 2qd6 h ASN 88 Cb 0.22 -0.02 -0.05 0.00 -2.07 0.00 0.00 38.32 36.40 2qd6 h ASN 88 CO -0.02 0.06 -2.15 0.18 0.07 0.00 0.00 177.43 175.57 2qd6 n LEU 89 N -4.46 0.00 -0.25 6.14 4.77 -0.72 -4.44 117.00 118.04 2qd6 n LEU 89 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2qd6 n LEU 89 Cb 0.34 0.37 0.27 0.00 -2.33 0.00 0.00 43.42 42.07 2qd6 n LEU 89 CO 0.35 0.37 1.24 -0.07 -1.33 0.00 0.00 177.39 177.95 2qd6 h LEU 90 N 0.00 0.83 -1.41 2.23 3.38 -0.83 -1.53 115.31 117.98 2qd6 h LEU 90 Ca -0.40 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qd6 h LEU 90 Cb 1.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 2qd6 h LEU 90 CO 0.02 0.55 0.35 0.71 0.09 0.00 0.00 178.44 180.16 2qd6 h THR 91 N 0.95 1.15 0.00 0.22 1.35 -1.52 -2.01 112.91 113.06 2qd6 h THR 91 Ca 0.34 -0.32 -0.07 0.00 -0.55 0.00 0.00 66.41 65.81 2qd6 h THR 91 Cb 0.14 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2qd6 h THR 91 CO -0.11 0.16 -0.33 1.56 -0.25 0.00 0.00 175.52 176.54 2qd6 h GLN 92 N 0.76 0.00 -0.38 4.72 1.08 -1.50 -2.01 115.11 117.79 2qd6 h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2qd6 h GLN 92 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2qd6 h GLN 92 CO -0.04 0.33 0.00 0.44 -0.95 0.00 0.00 178.83 178.61 2qd6 n ILE 93 N -3.40 0.49 -1.73 2.54 -5.35 -1.05 -4.95 119.36 105.91 2qd6 n ILE 93 Ca 0.00 -0.64 -0.02 0.00 -0.27 0.00 0.00 62.75 61.82 2qd6 n ILE 93 Cb 0.53 0.67 -0.00 0.00 -1.74 0.00 0.00 39.64 39.10 2qd6 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qd6 n GLY 94 N 1.39 0.37 3.73 3.28 0.00 -0.76 -5.01 105.19 108.19 2qd6 n GLY 94 Ca 0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 2qd6 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qd6 s ALA 95 N -2.09 3.30 0.09 4.61 0.00 -0.78 -5.04 121.76 121.85 2qd6 s ALA 95 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.68 2qd6 s ALA 95 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2qd6 s ALA 95 CO 0.00 -0.10 -0.12 0.95 0.00 0.00 0.00 175.76 176.49 2qd6 s THR 96 N -0.12 1.00 -0.17 0.00 -4.23 -1.26 -4.72 115.64 106.15 2qd6 s THR 96 Ca 0.48 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 2qd6 s THR 96 Cb -0.26 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.31 2qd6 s THR 96 CO 0.32 -0.43 0.29 -0.22 -0.54 0.00 0.00 174.62 174.04 2qd6 s LEU 97 N -2.16 4.23 -0.05 4.79 2.96 -1.26 -5.09 118.68 122.10 2qd6 s LEU 97 Ca 0.02 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2qd6 s LEU 97 Cb -0.06 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2qd6 s LEU 97 CO 0.01 0.09 -0.12 0.20 -1.32 0.00 0.00 176.35 175.21 2qd6 s ASN 98 N 0.52 1.67 0.00 3.68 0.01 -1.26 -5.29 114.94 114.26 2qd6 s ASN 98 Ca 0.16 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2qd6 s ASN 98 Cb -0.13 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.84 2qd6 s ASN 98 CO 0.04 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.89